smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2ccccc2C)cc1OC ZINC000011842257 204357360 /nfs/dbraw/zinc/35/73/60/204357360.db2.gz NPOGJIXQUWVPIG-NRFANRHFSA-N 1 3 386.536 3.375 10 0 GGAEHO CC(C)n1cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c2ccccc21 ZINC000039442982 205042631 /nfs/dbraw/zinc/04/26/31/205042631.db2.gz PVTDDJFDXCTTHR-JOCHJYFZSA-N 1 3 398.595 3.185 10 0 GGAEHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000056522995 564650030 /nfs/dbraw/zinc/65/00/30/564650030.db2.gz HIISOFDUKSDJEI-OAHLLOKOSA-N 1 3 375.340 3.397 10 0 GGAEHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000155081832 565061530 /nfs/dbraw/zinc/06/15/30/565061530.db2.gz YXILIQRQXQCYTD-INIZCTEOSA-N 1 3 387.355 3.116 10 0 GGAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032901 565891099 /nfs/dbraw/zinc/89/10/99/565891099.db2.gz DZWVWQSMUICMJD-MAUKXSAKSA-N 1 3 396.373 3.278 10 0 GGAEHO COc1sc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br ZINC000179515786 565986775 /nfs/dbraw/zinc/98/67/75/565986775.db2.gz GCICOSASYXKXLU-GFCCVEGCSA-N 1 3 391.375 3.044 10 0 GGAEHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418707461 566220419 /nfs/dbraw/zinc/22/04/19/566220419.db2.gz TWZCOIDBAFZBIB-KBPBESRZSA-N 1 3 387.355 3.337 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381827 566275476 /nfs/dbraw/zinc/27/54/76/566275476.db2.gz CTFLKXBYRMIMSL-PBHICJAKSA-N 1 3 380.330 3.242 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395589 566275928 /nfs/dbraw/zinc/27/59/28/566275928.db2.gz LKCNFCKQLQWJPT-SUMWQHHRSA-N 1 3 398.320 3.381 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381834 566276766 /nfs/dbraw/zinc/27/67/66/566276766.db2.gz CTFLKXBYRMIMSL-YOEHRIQHSA-N 1 3 380.330 3.242 10 0 GGAEHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873978 566464963 /nfs/dbraw/zinc/46/49/63/566464963.db2.gz MVDGZKGYRYIAPL-NJZAAPMLSA-N 1 3 376.854 3.440 10 0 GGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873978 566464969 /nfs/dbraw/zinc/46/49/69/566464969.db2.gz MVDGZKGYRYIAPL-NJZAAPMLSA-N 1 3 376.854 3.440 10 0 GGAEHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873976 566465352 /nfs/dbraw/zinc/46/53/52/566465352.db2.gz MVDGZKGYRYIAPL-CORIIIEPSA-N 1 3 376.854 3.440 10 0 GGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873976 566465362 /nfs/dbraw/zinc/46/53/62/566465362.db2.gz MVDGZKGYRYIAPL-CORIIIEPSA-N 1 3 376.854 3.440 10 0 GGAEHO COc1c(Br)cc(Br)cc1CNCCC1(C[NH3+])CC1 ZINC000650712041 566472426 /nfs/dbraw/zinc/47/24/26/566472426.db2.gz OBPBSYPAPDJOSM-UHFFFAOYSA-N 1 3 392.135 3.439 10 0 GGAEHO CC(C)C[C@H](N[C@H](C)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000539644666 566595447 /nfs/dbraw/zinc/59/54/47/566595447.db2.gz CENYFQSCMQRMIH-PBHICJAKSA-N 1 3 384.362 3.192 10 0 GGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccc(Br)cc2)C1 ZINC000652360195 566605450 /nfs/dbraw/zinc/60/54/50/566605450.db2.gz CLPHRPCBHHNLBD-NJAFHUGGSA-N 1 3 383.330 3.189 10 0 GGAEHO CCC[NH+]1CCC(CNCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000560255266 566611680 /nfs/dbraw/zinc/61/16/80/566611680.db2.gz LVRIYELCXJFTKB-UHFFFAOYSA-N 1 3 383.330 3.447 10 0 GGAEHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300123 566642227 /nfs/dbraw/zinc/64/22/27/566642227.db2.gz YYTWWNIFZRWQII-WMZOPIPTSA-N 1 3 394.357 3.077 10 0 GGAEHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300123 566642230 /nfs/dbraw/zinc/64/22/30/566642230.db2.gz YYTWWNIFZRWQII-WMZOPIPTSA-N 1 3 394.357 3.077 10 0 GGAEHO C[NH2+]CCOCCN(C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000629572498 566667006 /nfs/dbraw/zinc/66/70/06/566667006.db2.gz UZQWTKAIPJUQAQ-UHFFFAOYSA-N 1 3 378.929 3.384 10 0 GGAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2scc(Br)c2c1 ZINC000562639018 566809272 /nfs/dbraw/zinc/80/92/72/566809272.db2.gz SHDRMRRVUQRVPG-UHFFFAOYSA-N 1 3 398.370 3.229 10 0 GGAEHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241806 566844191 /nfs/dbraw/zinc/84/41/91/566844191.db2.gz KMPCMNWBTFGRHR-BARDWOONSA-N 1 3 384.351 3.491 10 0 GGAEHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1ccc(Br)cc1 ZINC000563954106 566931428 /nfs/dbraw/zinc/93/14/28/566931428.db2.gz XOZMQOQEWQBBRE-UHFFFAOYSA-N 1 3 380.330 3.384 10 0 GGAEHO Cc1c(Br)cncc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537460 567067226 /nfs/dbraw/zinc/06/72/26/567067226.db2.gz LTQPNDMDUQWTEG-UHFFFAOYSA-N 1 3 382.346 3.133 10 0 GGAEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cncc(Br)c1 ZINC000658070092 567119113 /nfs/dbraw/zinc/11/91/13/567119113.db2.gz LHRMWTOVPTYZSM-AWEZNQCLSA-N 1 3 382.346 3.386 10 0 GGAEHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108917 567126357 /nfs/dbraw/zinc/12/63/57/567126357.db2.gz IWNOBJRQYMXLRZ-LSDHHAIUSA-N 1 3 375.340 3.443 10 0 GGAEHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108916 567126825 /nfs/dbraw/zinc/12/68/25/567126825.db2.gz IWNOBJRQYMXLRZ-HUUCEWRRSA-N 1 3 375.340 3.443 10 0 GGAEHO C[NH+](C)CCOCCNCc1cnc(-c2ccc(Br)cc2)s1 ZINC000499219139 567230631 /nfs/dbraw/zinc/23/06/31/567230631.db2.gz OQIWRIVPHOXZTH-UHFFFAOYSA-N 1 3 384.343 3.240 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000617504687 567316546 /nfs/dbraw/zinc/31/65/46/567316546.db2.gz FXIVUWXZYJVWAL-HNNXBMFYSA-N 1 3 398.389 3.115 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000617504687 567316551 /nfs/dbraw/zinc/31/65/51/567316551.db2.gz FXIVUWXZYJVWAL-HNNXBMFYSA-N 1 3 398.389 3.115 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000617504923 567317090 /nfs/dbraw/zinc/31/70/90/567317090.db2.gz PJUCBAUAAHWTLA-HNNXBMFYSA-N 1 3 398.389 3.115 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000617504923 567317096 /nfs/dbraw/zinc/31/70/96/567317096.db2.gz PJUCBAUAAHWTLA-HNNXBMFYSA-N 1 3 398.389 3.115 10 0 GGAEHO CC[C@@H]1CN(CCCOc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000592427604 567338252 /nfs/dbraw/zinc/33/82/52/567338252.db2.gz HAJIJCRIPVPUOU-CZUORRHYSA-N 1 3 388.293 3.119 10 0 GGAEHO CC[N@H+](C)Cc1cccc(CN[C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632995 567418365 /nfs/dbraw/zinc/41/83/65/567418365.db2.gz XJQJSNDCVRLGPT-OAHLLOKOSA-N 1 3 392.341 3.241 10 0 GGAEHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632995 567418371 /nfs/dbraw/zinc/41/83/71/567418371.db2.gz XJQJSNDCVRLGPT-OAHLLOKOSA-N 1 3 392.341 3.241 10 0 GGAEHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Br)cc1 ZINC000663442228 567509144 /nfs/dbraw/zinc/50/91/44/567509144.db2.gz FZDHEJWIYKAFOI-LSDHHAIUSA-N 1 3 399.377 3.081 10 0 GGAEHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Br)cc1 ZINC000663442228 567509149 /nfs/dbraw/zinc/50/91/49/567509149.db2.gz FZDHEJWIYKAFOI-LSDHHAIUSA-N 1 3 399.377 3.081 10 0 GGAEHO C[NH+]1CCC(N2CCC(Nc3nc(C4CC4)ncc3Br)CC2)CC1 ZINC000663481928 567510835 /nfs/dbraw/zinc/51/08/35/567510835.db2.gz OXCFHZOPCNAFTP-UHFFFAOYSA-N 1 3 394.361 3.087 10 0 GGAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000663504547 567511817 /nfs/dbraw/zinc/51/18/17/567511817.db2.gz XDKWDGQELSSXJR-UHFFFAOYSA-N 1 3 388.339 3.082 10 0 GGAEHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Br)c1 ZINC000665172940 567612144 /nfs/dbraw/zinc/61/21/44/567612144.db2.gz NNTYGCNZYYCUGP-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Br)c1 ZINC000665172940 567612147 /nfs/dbraw/zinc/61/21/47/567612147.db2.gz NNTYGCNZYYCUGP-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665601075 567630327 /nfs/dbraw/zinc/63/03/27/567630327.db2.gz PSTDDLXOLOPMES-HNNXBMFYSA-N 1 3 399.377 3.459 10 0 GGAEHO Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665601075 567630330 /nfs/dbraw/zinc/63/03/30/567630330.db2.gz PSTDDLXOLOPMES-HNNXBMFYSA-N 1 3 399.377 3.459 10 0 GGAEHO Cc1ccc(Br)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665628022 567631281 /nfs/dbraw/zinc/63/12/81/567631281.db2.gz CRRJEJHRQHSFHK-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1ccc(Br)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665628022 567631284 /nfs/dbraw/zinc/63/12/84/567631284.db2.gz CRRJEJHRQHSFHK-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000532196283 567702973 /nfs/dbraw/zinc/70/29/73/567702973.db2.gz GSALIJGKCSQBLD-GOSISDBHSA-N 1 3 396.373 3.280 10 0 GGAEHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000532196288 567703163 /nfs/dbraw/zinc/70/31/63/567703163.db2.gz GSALIJGKCSQBLD-SFHVURJKSA-N 1 3 396.373 3.280 10 0 GGAEHO CN1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454345 567712020 /nfs/dbraw/zinc/71/20/20/567712020.db2.gz ANZYZTSOLBHGAN-KRWDZBQOSA-N 1 3 396.373 3.248 10 0 GGAEHO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454346 567712091 /nfs/dbraw/zinc/71/20/91/567712091.db2.gz ANZYZTSOLBHGAN-QGZVFWFLSA-N 1 3 396.373 3.248 10 0 GGAEHO CCCOc1c(Br)cc(CN[C@@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950714 567713764 /nfs/dbraw/zinc/71/37/64/567713764.db2.gz CEDPKFSFNJLBAR-MRXNPFEDSA-N 1 3 383.330 3.478 10 0 GGAEHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623491184 567714851 /nfs/dbraw/zinc/71/48/51/567714851.db2.gz IKLNNPNDIBPDRD-OAHLLOKOSA-N 1 3 379.346 3.410 10 0 GGAEHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623491184 567714854 /nfs/dbraw/zinc/71/48/54/567714854.db2.gz IKLNNPNDIBPDRD-OAHLLOKOSA-N 1 3 379.346 3.410 10 0 GGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871379 567714904 /nfs/dbraw/zinc/71/49/04/567714904.db2.gz FWBOETMFEUNVCQ-AWEZNQCLSA-N 1 3 386.353 3.135 10 0 GGAEHO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666953524 567715265 /nfs/dbraw/zinc/71/52/65/567715265.db2.gz AQPIDJCHIDVEBC-SFHVURJKSA-N 1 3 389.341 3.483 10 0 GGAEHO C[N@@H+]1CC[C@@H](NC[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542339 567720465 /nfs/dbraw/zinc/72/04/65/567720465.db2.gz WKHYSAZGQSOVJL-HUUCEWRRSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@@H](NC[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542339 567720471 /nfs/dbraw/zinc/72/04/71/567720471.db2.gz WKHYSAZGQSOVJL-HUUCEWRRSA-N 1 3 387.337 3.202 10 0 GGAEHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541408 567720894 /nfs/dbraw/zinc/72/08/94/567720894.db2.gz HYXJNBMQWVENKH-JKSUJKDBSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541408 567720901 /nfs/dbraw/zinc/72/09/01/567720901.db2.gz HYXJNBMQWVENKH-JKSUJKDBSA-N 1 3 399.373 3.071 10 0 GGAEHO C[N@@H+]1CC[C@@H](NC[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541803 567720918 /nfs/dbraw/zinc/72/09/18/567720918.db2.gz YQKDOESWHFJELP-CZUORRHYSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@@H](NC[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541803 567720924 /nfs/dbraw/zinc/72/09/24/567720924.db2.gz YQKDOESWHFJELP-CZUORRHYSA-N 1 3 387.337 3.202 10 0 GGAEHO Cc1c(Br)cccc1C[C@@H](CO)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541901 567721112 /nfs/dbraw/zinc/72/11/12/567721112.db2.gz CPXHZEQFBCBFMA-WBVHZDCISA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1c(Br)cccc1C[C@@H](CO)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541901 567721117 /nfs/dbraw/zinc/72/11/17/567721117.db2.gz CPXHZEQFBCBFMA-WBVHZDCISA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1c(Br)cccc1C[C@@H](CO)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541899 567721163 /nfs/dbraw/zinc/72/11/63/567721163.db2.gz CPXHZEQFBCBFMA-NVXWUHKLSA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1c(Br)cccc1C[C@@H](CO)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541899 567721169 /nfs/dbraw/zinc/72/11/69/567721169.db2.gz CPXHZEQFBCBFMA-NVXWUHKLSA-N 1 3 383.374 3.371 10 0 GGAEHO CN(C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000032779415 570807828 /nfs/dbraw/zinc/80/78/28/570807828.db2.gz PDSAYRGGCMGBTH-QFIPXVFZSA-N 1 3 380.536 3.253 10 0 GGAEHO CCCOc1ccc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1OCC ZINC000066877115 1408939916 /nfs/dbraw/zinc/93/99/16/1408939916.db2.gz AFQFNPKECQJUPR-UHFFFAOYSA-N 1 3 398.551 3.311 10 0 GGAEHO c1ccc(N2CCOCC2)c(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000067449900 1409121795 /nfs/dbraw/zinc/12/17/95/1409121795.db2.gz CEOHCHMCTCBZGM-UHFFFAOYSA-N 1 3 395.547 3.288 10 0 GGAEHO Cn1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000103173667 1410834139 /nfs/dbraw/zinc/83/41/39/1410834139.db2.gz BFEUZOCHVTYXRM-HXUWFJFHSA-N 1 3 375.520 3.136 10 0 GGAEHO c1ccc(CC[NH+]2CCC(NC[C@@H](c3ccccc3)N3CCOCC3)CC2)cc1 ZINC000120623419 1413858241 /nfs/dbraw/zinc/85/82/41/1413858241.db2.gz FEYABVYXBYMTRV-VWLOTQADSA-N 1 3 393.575 3.357 10 0 GGAEHO CCCOc1c(CNCc2ccc(N3CC[NH+](C)CC3)nc2)cccc1OCC ZINC000128401871 1415979539 /nfs/dbraw/zinc/97/95/39/1415979539.db2.gz CQBIQKBEQTXWKB-UHFFFAOYSA-N 1 3 398.551 3.311 10 0 GGAEHO CCCOc1c(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)cccc1OCC ZINC000128401871 1415979544 /nfs/dbraw/zinc/97/95/44/1415979544.db2.gz CQBIQKBEQTXWKB-UHFFFAOYSA-N 1 3 398.551 3.311 10 0 GGAEHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599521 1417331244 /nfs/dbraw/zinc/33/12/44/1417331244.db2.gz BWGVTWKVEKZQBU-RTWAWAEBSA-N 1 3 382.508 3.126 10 0 GGAEHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000183368700 1430692143 /nfs/dbraw/zinc/69/21/43/1430692143.db2.gz GDSVSQRCZLDLSS-XMMPIXPASA-N 1 3 397.563 3.099 10 0 GGAEHO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000237010597 1433385800 /nfs/dbraw/zinc/38/58/00/1433385800.db2.gz FQXXRKRKPGQJJD-RTBURBONSA-N 1 3 378.580 3.424 10 0 GGAEHO Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)n1 ZINC000246200542 1433581128 /nfs/dbraw/zinc/58/11/28/1433581128.db2.gz XMAJWYWMJLFZPP-FDDCHVKYSA-N 1 3 378.520 3.391 10 0 GGAEHO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)n1 ZINC000246200542 1433581132 /nfs/dbraw/zinc/58/11/32/1433581132.db2.gz XMAJWYWMJLFZPP-FDDCHVKYSA-N 1 3 378.520 3.391 10 0 GGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798783 1435093452 /nfs/dbraw/zinc/09/34/52/1435093452.db2.gz DWVRKWLXKBWVKO-WIYYLYMNSA-N 1 3 395.551 3.437 10 0 GGAEHO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1)CC(C)C ZINC000095459633 208186049 /nfs/dbraw/zinc/18/60/49/208186049.db2.gz ILFRHZAUNRJZFD-JOCHJYFZSA-N 1 3 393.616 3.236 10 0 GGAEHO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1)CC(C)C ZINC000095459633 208186054 /nfs/dbraw/zinc/18/60/54/208186054.db2.gz ILFRHZAUNRJZFD-JOCHJYFZSA-N 1 3 393.616 3.236 10 0 GGAEHO CN(CCc1ccccn1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095528559 208224961 /nfs/dbraw/zinc/22/49/61/208224961.db2.gz NZTSMHLXVGISIW-QHCPKHFHSA-N 1 3 397.563 3.372 10 0 GGAEHO CN(CCc1ccccn1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095528558 208225779 /nfs/dbraw/zinc/22/57/79/208225779.db2.gz NZTSMHLXVGISIW-HSZRJFAPSA-N 1 3 397.563 3.372 10 0 GGAEHO CC[NH+](CC)CCSCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000369927544 565118976 /nfs/dbraw/zinc/11/89/76/565118976.db2.gz NDLJWDJVZDSRQI-APWZRJJASA-N 1 3 383.627 3.322 10 0 GGAEHO OC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(Br)c1 ZINC000297775715 565385511 /nfs/dbraw/zinc/38/55/11/565385511.db2.gz VWUSIFHPWICSAD-SFHVURJKSA-N 1 3 376.298 3.136 10 0 GGAEHO C[NH+]1CCC(CNCc2cc(Cl)ccc2I)CC1 ZINC000405412036 565587254 /nfs/dbraw/zinc/58/72/54/565587254.db2.gz AIBBKSWTUMQLEY-UHFFFAOYSA-N 1 3 378.685 3.376 10 0 GGAEHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)c(Cl)cn3)CC2)CC1 ZINC000408257587 565600409 /nfs/dbraw/zinc/60/04/09/565600409.db2.gz UJUNLZJUKIVCAG-UHFFFAOYSA-N 1 3 386.327 3.069 10 0 GGAEHO Cc1nc2ccc(Br)cc2c(N2CCC[N@H+](CCO)CC2)c1C ZINC000174729582 565654748 /nfs/dbraw/zinc/65/47/48/565654748.db2.gz INBXKRRQDHSJMA-UHFFFAOYSA-N 1 3 378.314 3.119 10 0 GGAEHO Cc1nc2ccc(Br)cc2c(N2CCC[N@@H+](CCO)CC2)c1C ZINC000174729582 565654751 /nfs/dbraw/zinc/65/47/51/565654751.db2.gz INBXKRRQDHSJMA-UHFFFAOYSA-N 1 3 378.314 3.119 10 0 GGAEHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178002753 565889071 /nfs/dbraw/zinc/88/90/71/565889071.db2.gz QMVFXOAWBGMTDO-GOSISDBHSA-N 1 3 396.373 3.280 10 0 GGAEHO C[NH+](C)C1CCN(CCN[C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178288912 565910908 /nfs/dbraw/zinc/91/09/08/565910908.db2.gz YQSXCAYYISYAQM-SFHVURJKSA-N 1 3 396.373 3.278 10 0 GGAEHO C[C@@H](NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)[C@H](C)[NH3+] ZINC000418707464 566220390 /nfs/dbraw/zinc/22/03/90/566220390.db2.gz TWZCOIDBAFZBIB-UONOGXRCSA-N 1 3 387.355 3.337 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395587 566276798 /nfs/dbraw/zinc/27/67/98/566276798.db2.gz LKCNFCKQLQWJPT-GUYCJALGSA-N 1 3 398.320 3.381 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381830 566277080 /nfs/dbraw/zinc/27/70/80/566277080.db2.gz CTFLKXBYRMIMSL-WMLDXEAASA-N 1 3 380.330 3.242 10 0 GGAEHO C[C@@H](Cn1cc(Br)ccc1=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000556237116 566277653 /nfs/dbraw/zinc/27/76/53/566277653.db2.gz SMKQTVPGAMQIQV-INIZCTEOSA-N 1 3 392.341 3.111 10 0 GGAEHO C[C@@H](Cn1cc(Br)ccc1=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000556237116 566277659 /nfs/dbraw/zinc/27/76/59/566277659.db2.gz SMKQTVPGAMQIQV-INIZCTEOSA-N 1 3 392.341 3.111 10 0 GGAEHO CC(C)C[C@H](N[C@H]1CCc2ccc(Br)cc21)C(=O)NCC[NH+](C)C ZINC000510731512 566408635 /nfs/dbraw/zinc/40/86/35/566408635.db2.gz FVWZMWXBEVJBQQ-ROUUACIJSA-N 1 3 396.373 3.119 10 0 GGAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873977 566464745 /nfs/dbraw/zinc/46/47/45/566464745.db2.gz MVDGZKGYRYIAPL-LNSITVRQSA-N 1 3 376.854 3.440 10 0 GGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873977 566464751 /nfs/dbraw/zinc/46/47/51/566464751.db2.gz MVDGZKGYRYIAPL-LNSITVRQSA-N 1 3 376.854 3.440 10 0 GGAEHO COC[C@H](CCC[NH3+])N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076579 566473175 /nfs/dbraw/zinc/47/31/75/566473175.db2.gz ZHXMYHMGYLHNQQ-RBUKOAKNSA-N 1 3 392.341 3.471 10 0 GGAEHO C[NH2+]Cc1ccccc1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000650718393 566474006 /nfs/dbraw/zinc/47/40/06/566474006.db2.gz KCFDIDBMPDGRND-UHFFFAOYSA-N 1 3 377.282 3.230 10 0 GGAEHO Cc1c([C@H](C)NCCC2(C[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000650744199 566475844 /nfs/dbraw/zinc/47/58/44/566475844.db2.gz IJAPGIZNJCEAHT-LBPRGKRZSA-N 1 3 378.318 3.118 10 0 GGAEHO CC(C)C[C@H](N[C@H](C)c1ccc(Br)s1)C(=O)NCC[NH+](C)C ZINC000538548521 566519832 /nfs/dbraw/zinc/51/98/32/566519832.db2.gz OTEINSJENXVFHX-OLZOCXBDSA-N 1 3 390.391 3.254 10 0 GGAEHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449079379 566527923 /nfs/dbraw/zinc/52/79/23/566527923.db2.gz YMGJSQOROXAOFU-QGZVFWFLSA-N 1 3 384.337 3.191 10 0 GGAEHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449223455 566539283 /nfs/dbraw/zinc/53/92/83/566539283.db2.gz JYXZIFCXRGKRRY-QGZVFWFLSA-N 1 3 384.337 3.191 10 0 GGAEHO COc1ncc(Br)cc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000628427806 566554321 /nfs/dbraw/zinc/55/43/21/566554321.db2.gz AQUUJXSZLDPINF-UHFFFAOYSA-N 1 3 377.286 3.006 10 0 GGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000513713697 566619223 /nfs/dbraw/zinc/61/92/23/566619223.db2.gz RWONHAOKMPEPNJ-VNQPRFMTSA-N 1 3 381.314 3.183 10 0 GGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000513713696 566619775 /nfs/dbraw/zinc/61/97/75/566619775.db2.gz RWONHAOKMPEPNJ-KBMXLJTQSA-N 1 3 381.314 3.183 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708564 566619996 /nfs/dbraw/zinc/61/99/96/566619996.db2.gz TZJUHBAEWKMBNP-NUEKZKHPSA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708564 566620001 /nfs/dbraw/zinc/62/00/01/566620001.db2.gz TZJUHBAEWKMBNP-NUEKZKHPSA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708564 566620002 /nfs/dbraw/zinc/62/00/02/566620002.db2.gz TZJUHBAEWKMBNP-NUEKZKHPSA-N 1 3 383.330 3.429 10 0 GGAEHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300120 566641903 /nfs/dbraw/zinc/64/19/03/566641903.db2.gz YYTWWNIFZRWQII-AEFFLSMTSA-N 1 3 394.357 3.077 10 0 GGAEHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300120 566641910 /nfs/dbraw/zinc/64/19/10/566641910.db2.gz YYTWWNIFZRWQII-AEFFLSMTSA-N 1 3 394.357 3.077 10 0 GGAEHO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1(N)CCOCC1 ZINC000629522408 566664259 /nfs/dbraw/zinc/66/42/59/566664259.db2.gz ZJDJRZKMAUEZOX-AWEZNQCLSA-N 1 3 393.325 3.467 10 0 GGAEHO C[NH2+]CCOCCN(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000629654382 566677256 /nfs/dbraw/zinc/67/72/56/566677256.db2.gz QGWLSTOKLLRLMC-UHFFFAOYSA-N 1 3 385.224 3.016 10 0 GGAEHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000564847249 567012300 /nfs/dbraw/zinc/01/23/00/567012300.db2.gz ZEWLKVIGGDBKQP-OAHLLOKOSA-N 1 3 375.340 3.443 10 0 GGAEHO Brc1cnn(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000565095707 567038832 /nfs/dbraw/zinc/03/88/32/567038832.db2.gz MXGSOMYJSQDKDC-UHFFFAOYSA-N 1 3 375.314 3.128 10 0 GGAEHO COc1ccc(Br)cc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536717 567067676 /nfs/dbraw/zinc/06/76/76/567067676.db2.gz OTRBWHAUKVUDTA-UHFFFAOYSA-N 1 3 397.357 3.438 10 0 GGAEHO COc1ccc(Br)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657534739 567067984 /nfs/dbraw/zinc/06/79/84/567067984.db2.gz CVNQEJNYIIQJPU-UHFFFAOYSA-N 1 3 397.357 3.438 10 0 GGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cc(Br)cs3)cc2)C1 ZINC000657594616 567073929 /nfs/dbraw/zinc/07/39/29/567073929.db2.gz JBLPZGYQWJOLFE-MRXNPFEDSA-N 1 3 381.339 3.367 10 0 GGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cc(Br)cs3)cc2)C1 ZINC000657594616 567073937 /nfs/dbraw/zinc/07/39/37/567073937.db2.gz JBLPZGYQWJOLFE-MRXNPFEDSA-N 1 3 381.339 3.367 10 0 GGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Br)cc3)cc2)C1 ZINC000657593775 567073959 /nfs/dbraw/zinc/07/39/59/567073959.db2.gz KRFPFOMOQVNPAU-IBGZPJMESA-N 1 3 375.310 3.306 10 0 GGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Br)cc3)cc2)C1 ZINC000657593775 567073967 /nfs/dbraw/zinc/07/39/67/567073967.db2.gz KRFPFOMOQVNPAU-IBGZPJMESA-N 1 3 375.310 3.306 10 0 GGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595121 567074832 /nfs/dbraw/zinc/07/48/32/567074832.db2.gz FKTXHMXZOWLXGE-LJQANCHMSA-N 1 3 393.300 3.445 10 0 GGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595121 567074834 /nfs/dbraw/zinc/07/48/34/567074834.db2.gz FKTXHMXZOWLXGE-LJQANCHMSA-N 1 3 393.300 3.445 10 0 GGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594597 567075354 /nfs/dbraw/zinc/07/53/54/567075354.db2.gz CAEUHIXVUKBQQG-QGZVFWFLSA-N 1 3 393.300 3.445 10 0 GGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594597 567075357 /nfs/dbraw/zinc/07/53/57/567075357.db2.gz CAEUHIXVUKBQQG-QGZVFWFLSA-N 1 3 393.300 3.445 10 0 GGAEHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cncc(Br)c1 ZINC000658070094 567118537 /nfs/dbraw/zinc/11/85/37/567118537.db2.gz LHRMWTOVPTYZSM-CQSZACIVSA-N 1 3 382.346 3.386 10 0 GGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140621 567124419 /nfs/dbraw/zinc/12/44/19/567124419.db2.gz VNODHFDKAYLBER-KUHUBIRLSA-N 1 3 390.325 3.262 10 0 GGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140621 567124426 /nfs/dbraw/zinc/12/44/26/567124426.db2.gz VNODHFDKAYLBER-KUHUBIRLSA-N 1 3 390.325 3.262 10 0 GGAEHO CN1CC=C(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638838391 567274825 /nfs/dbraw/zinc/27/48/25/567274825.db2.gz HVKLIPRAHZADJM-RBUKOAKNSA-N 1 3 378.358 3.436 10 0 GGAEHO Ic1ccc2c(c1)[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579207 567286311 /nfs/dbraw/zinc/28/63/11/567286311.db2.gz BHAIUDQRCQMQOS-GDBMZVCRSA-N 1 3 398.288 3.237 10 0 GGAEHO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506540 567316438 /nfs/dbraw/zinc/31/64/38/567316438.db2.gz RUHUXFZHXXTYRZ-CVEARBPZSA-N 1 3 398.389 3.016 10 0 GGAEHO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506540 567316442 /nfs/dbraw/zinc/31/64/42/567316442.db2.gz RUHUXFZHXXTYRZ-CVEARBPZSA-N 1 3 398.389 3.016 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000617507332 567316514 /nfs/dbraw/zinc/31/65/14/567316514.db2.gz RVIPMZAVPKHZQG-LBPRGKRZSA-N 1 3 379.854 3.361 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000617507332 567316519 /nfs/dbraw/zinc/31/65/19/567316519.db2.gz RVIPMZAVPKHZQG-LBPRGKRZSA-N 1 3 379.854 3.361 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1Cl ZINC000617504754 567317223 /nfs/dbraw/zinc/31/72/23/567317223.db2.gz IXQCOQGGCPLATO-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1Cl ZINC000617504754 567317230 /nfs/dbraw/zinc/31/72/30/567317230.db2.gz IXQCOQGGCPLATO-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccccc1Br ZINC000617507158 567317570 /nfs/dbraw/zinc/31/75/70/567317570.db2.gz KRMSYWYCEUHNAW-HNNXBMFYSA-N 1 3 398.389 3.115 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccccc1Br ZINC000617507158 567317576 /nfs/dbraw/zinc/31/75/76/567317576.db2.gz KRMSYWYCEUHNAW-HNNXBMFYSA-N 1 3 398.389 3.115 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1Br ZINC000617506176 567317657 /nfs/dbraw/zinc/31/76/57/567317657.db2.gz DNRJAZHDOJMAKU-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)cc1Br ZINC000617506176 567317661 /nfs/dbraw/zinc/31/76/61/567317661.db2.gz DNRJAZHDOJMAKU-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO Cc1ccc(Br)c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507712 567317696 /nfs/dbraw/zinc/31/76/96/567317696.db2.gz GUFSRIDEWBBLAZ-AWEZNQCLSA-N 1 3 384.362 3.068 10 0 GGAEHO Cc1ccc(Br)c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507712 567317702 /nfs/dbraw/zinc/31/77/02/567317702.db2.gz GUFSRIDEWBBLAZ-AWEZNQCLSA-N 1 3 384.362 3.068 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000617504962 567317788 /nfs/dbraw/zinc/31/77/88/567317788.db2.gz RDLXEAGFIPVSNJ-ZDUSSCGKSA-N 1 3 382.961 3.398 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000617504962 567317795 /nfs/dbraw/zinc/31/77/95/567317795.db2.gz RDLXEAGFIPVSNJ-ZDUSSCGKSA-N 1 3 382.961 3.398 10 0 GGAEHO CC[C@H]1CN(CCCOc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000592427605 567338041 /nfs/dbraw/zinc/33/80/41/567338041.db2.gz HAJIJCRIPVPUOU-XJKSGUPXSA-N 1 3 388.293 3.119 10 0 GGAEHO Clc1cc(I)ccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592470666 567340778 /nfs/dbraw/zinc/34/07/78/567340778.db2.gz BSHJLLQRIKZFDE-ZKYQVNSYSA-N 1 3 390.696 3.422 10 0 GGAEHO Clc1cc(I)ccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592470663 567340968 /nfs/dbraw/zinc/34/09/68/567340968.db2.gz BSHJLLQRIKZFDE-MPKXVKKWSA-N 1 3 390.696 3.422 10 0 GGAEHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000548766718 567348562 /nfs/dbraw/zinc/34/85/62/567348562.db2.gz ADBPWPKQCKDNAL-UHFFFAOYSA-N 1 3 380.842 3.316 10 0 GGAEHO COC(=O)c1ccc(CNC2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000568775789 567356479 /nfs/dbraw/zinc/35/64/79/567356479.db2.gz CWMIHMRFDYCJOD-UHFFFAOYSA-N 1 3 383.330 3.446 10 0 GGAEHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632994 567418574 /nfs/dbraw/zinc/41/85/74/567418574.db2.gz XJQJSNDCVRLGPT-HNNXBMFYSA-N 1 3 392.341 3.241 10 0 GGAEHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632994 567418577 /nfs/dbraw/zinc/41/85/77/567418577.db2.gz XJQJSNDCVRLGPT-HNNXBMFYSA-N 1 3 392.341 3.241 10 0 GGAEHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCSc2ccc(Br)cc21 ZINC000662258907 567422107 /nfs/dbraw/zinc/42/21/07/567422107.db2.gz XXIYKWCYTAVHLB-ZFWWWQNUSA-N 1 3 383.355 3.439 10 0 GGAEHO Cc1cc(Br)ccc1[C@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000641773103 567455465 /nfs/dbraw/zinc/45/54/65/567455465.db2.gz DXRYRJSTJVRCLY-HNNXBMFYSA-N 1 3 396.373 3.351 10 0 GGAEHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000663503169 567511597 /nfs/dbraw/zinc/51/15/97/567511597.db2.gz FZAJHHXYMGIRHX-UHFFFAOYSA-N 1 3 388.339 3.082 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000665636782 567631753 /nfs/dbraw/zinc/63/17/53/567631753.db2.gz JPMVNHLVXCHJGD-AWEZNQCLSA-N 1 3 389.371 3.407 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000665636782 567631757 /nfs/dbraw/zinc/63/17/57/567631757.db2.gz JPMVNHLVXCHJGD-AWEZNQCLSA-N 1 3 389.371 3.407 10 0 GGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(I)cc1 ZINC000596651977 567647028 /nfs/dbraw/zinc/64/70/28/567647028.db2.gz DQFWMEJOXCEDGV-LBPRGKRZSA-N 1 3 395.288 3.347 10 0 GGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442871380 567714098 /nfs/dbraw/zinc/71/40/98/567714098.db2.gz FWBOETMFEUNVCQ-CQSZACIVSA-N 1 3 386.353 3.135 10 0 GGAEHO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666953523 567715238 /nfs/dbraw/zinc/71/52/38/567715238.db2.gz AQPIDJCHIDVEBC-GOSISDBHSA-N 1 3 389.341 3.483 10 0 GGAEHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541630 567720330 /nfs/dbraw/zinc/72/03/30/567720330.db2.gz RCLGUWASVPMXIN-IRXDYDNUSA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541630 567720336 /nfs/dbraw/zinc/72/03/36/567720336.db2.gz RCLGUWASVPMXIN-IRXDYDNUSA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541900 567720580 /nfs/dbraw/zinc/72/05/80/567720580.db2.gz CPXHZEQFBCBFMA-RDJZCZTQSA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541900 567720583 /nfs/dbraw/zinc/72/05/83/567720583.db2.gz CPXHZEQFBCBFMA-RDJZCZTQSA-N 1 3 383.374 3.371 10 0 GGAEHO C[N@@H+]1CC[C@H](NC[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542337 567721015 /nfs/dbraw/zinc/72/10/15/567721015.db2.gz WKHYSAZGQSOVJL-CABCVRRESA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@H](NC[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542337 567721020 /nfs/dbraw/zinc/72/10/20/567721020.db2.gz WKHYSAZGQSOVJL-CABCVRRESA-N 1 3 387.337 3.202 10 0 GGAEHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542230 567721036 /nfs/dbraw/zinc/72/10/36/567721036.db2.gz SCSNILHNECWLNA-YOEHRIQHSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542230 567721037 /nfs/dbraw/zinc/72/10/37/567721037.db2.gz SCSNILHNECWLNA-YOEHRIQHSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(C[C@@H](CO)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541405 567721057 /nfs/dbraw/zinc/72/10/57/567721057.db2.gz HYXJNBMQWVENKH-CVEARBPZSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(C[C@@H](CO)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541405 567721061 /nfs/dbraw/zinc/72/10/61/567721061.db2.gz HYXJNBMQWVENKH-CVEARBPZSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(Br)cc1C[C@@H](CO)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542227 567721079 /nfs/dbraw/zinc/72/10/79/567721079.db2.gz SCSNILHNECWLNA-PBHICJAKSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(Br)cc1C[C@@H](CO)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542227 567721083 /nfs/dbraw/zinc/72/10/83/567721083.db2.gz SCSNILHNECWLNA-PBHICJAKSA-N 1 3 399.373 3.071 10 0 GGAEHO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051189703 1405740877 /nfs/dbraw/zinc/74/08/77/1405740877.db2.gz ICXRZXZODVBOFV-UHFFFAOYSA-N 1 3 399.558 3.276 10 0 GGAEHO CC[NH+]1CCN(Cc2ccccc2CNCc2nc3ccccc3n2C)CC1 ZINC000066973298 1408969378 /nfs/dbraw/zinc/96/93/78/1408969378.db2.gz AIXHIEWITNIPAB-UHFFFAOYSA-N 1 3 377.536 3.001 10 0 GGAEHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120760 1409013183 /nfs/dbraw/zinc/01/31/83/1409013183.db2.gz HLJWWXUGGCPELQ-SFHVURJKSA-N 1 3 381.520 3.215 10 0 GGAEHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120760 1409013191 /nfs/dbraw/zinc/01/31/91/1409013191.db2.gz HLJWWXUGGCPELQ-SFHVURJKSA-N 1 3 381.520 3.215 10 0 GGAEHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)CC1 ZINC000069785260 1409698159 /nfs/dbraw/zinc/69/81/59/1409698159.db2.gz FZRPDUFBNIUABW-UHFFFAOYSA-N 1 3 388.353 3.486 10 0 GGAEHO OC1CC[NH+](Cc2ccc(CNCc3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000105495623 1411072240 /nfs/dbraw/zinc/07/22/40/1411072240.db2.gz DNVGUSSTPWTMFJ-UHFFFAOYSA-N 1 3 376.504 3.323 10 0 GGAEHO O=c1[nH]c2ccccc2cc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000123658682 1414805231 /nfs/dbraw/zinc/80/52/31/1414805231.db2.gz HLMORWXWNHVWSN-UHFFFAOYSA-N 1 3 377.488 3.187 10 0 GGAEHO CCCOc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC ZINC000126052678 1415345382 /nfs/dbraw/zinc/34/53/82/1415345382.db2.gz GXERDTBSZCJAKB-UHFFFAOYSA-N 1 3 375.557 3.132 10 0 GGAEHO Cc1nccn1-c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cn1 ZINC000126347163 1415422949 /nfs/dbraw/zinc/42/29/49/1415422949.db2.gz BZZVYYPCLVWHAS-UHFFFAOYSA-N 1 3 375.520 3.372 10 0 GGAEHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc(-c3ccccn3)c2)c1 ZINC000127575031 1415812714 /nfs/dbraw/zinc/81/27/14/1415812714.db2.gz GDULSYYYRLEQOM-UHFFFAOYSA-N 1 3 388.515 3.330 10 0 GGAEHO C[NH+]1CCC(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000128621220 1416027339 /nfs/dbraw/zinc/02/73/39/1416027339.db2.gz MCHGQFOURPARDM-UHFFFAOYSA-N 1 3 392.547 3.289 10 0 GGAEHO c1cnn(-c2cc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)ccn2)c1 ZINC000128822217 1416077856 /nfs/dbraw/zinc/07/78/56/1416077856.db2.gz GMPPWEMVDOBJBV-UHFFFAOYSA-N 1 3 377.492 3.032 10 0 GGAEHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136591979 1417330396 /nfs/dbraw/zinc/33/03/96/1417330396.db2.gz HYZDGEDBUMTMAM-MOPGFXCFSA-N 1 3 386.458 3.485 10 0 GGAEHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599592 1417331533 /nfs/dbraw/zinc/33/15/33/1417331533.db2.gz BWGVTWKVEKZQBU-NHCUHLMSSA-N 1 3 382.508 3.126 10 0 GGAEHO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782609 1425255827 /nfs/dbraw/zinc/25/58/27/1425255827.db2.gz IZVZFMVGMHRTPQ-IBGZPJMESA-N 1 3 388.552 3.417 10 0 GGAEHO COC[C@@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782609 1425255834 /nfs/dbraw/zinc/25/58/34/1425255834.db2.gz IZVZFMVGMHRTPQ-IBGZPJMESA-N 1 3 388.552 3.417 10 0 GGAEHO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782610 1425255912 /nfs/dbraw/zinc/25/59/12/1425255912.db2.gz IZVZFMVGMHRTPQ-LJQANCHMSA-N 1 3 388.552 3.417 10 0 GGAEHO COC[C@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782610 1425255920 /nfs/dbraw/zinc/25/59/20/1425255920.db2.gz IZVZFMVGMHRTPQ-LJQANCHMSA-N 1 3 388.552 3.417 10 0 GGAEHO O[C@@H](COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1)CN1CCCCC1 ZINC000019224840 210233708 /nfs/dbraw/zinc/23/37/08/210233708.db2.gz VQEOMVMGTWGEAX-HSZRJFAPSA-N 1 3 380.532 3.169 10 0 GGAEHO O[C@H](COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1)CN1CCCCC1 ZINC000019224841 210233745 /nfs/dbraw/zinc/23/37/45/210233745.db2.gz VQEOMVMGTWGEAX-QHCPKHFHSA-N 1 3 380.532 3.169 10 0 GGAEHO COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000014953965 210134633 /nfs/dbraw/zinc/13/46/33/210134633.db2.gz XWSFXYWUAIINEU-NRFANRHFSA-N 1 3 384.520 3.129 10 0 GGAEHO CCn1cc([C@@H]2NC(=O)CC[C@H]2NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000328628817 209147752 /nfs/dbraw/zinc/14/77/52/209147752.db2.gz HOTSFBUUKATIFD-IRLDBZIGSA-N 1 3 381.524 3.317 10 0 GGAEHO C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccc(F)cc1)CC3 ZINC000096062588 211298517 /nfs/dbraw/zinc/29/85/17/211298517.db2.gz SZWFYYVVAOSJCN-XUZZJYLKSA-N 1 3 399.554 3.372 10 0 GGAEHO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccc(F)cc1)CC3 ZINC000096062588 211298518 /nfs/dbraw/zinc/29/85/18/211298518.db2.gz SZWFYYVVAOSJCN-XUZZJYLKSA-N 1 3 399.554 3.372 10 0 GGAEHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452456 211242150 /nfs/dbraw/zinc/24/21/50/211242150.db2.gz BXXRRMJKRKGQLS-VQTJNVASSA-N 1 3 389.584 3.323 10 0 GGAEHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452456 211242154 /nfs/dbraw/zinc/24/21/54/211242154.db2.gz BXXRRMJKRKGQLS-VQTJNVASSA-N 1 3 389.584 3.323 10 0 GGAEHO CN1CCC([N@@H+]2CCN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000020993387 210372436 /nfs/dbraw/zinc/37/24/36/210372436.db2.gz QUNSGWRZDUBGKM-VWLOTQADSA-N 1 3 393.575 3.316 10 0 GGAEHO CN1CCC([N@H+]2CCN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000020993387 210372438 /nfs/dbraw/zinc/37/24/38/210372438.db2.gz QUNSGWRZDUBGKM-VWLOTQADSA-N 1 3 393.575 3.316 10 0 GGAEHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@@H+]1C ZINC000119896385 564294109 /nfs/dbraw/zinc/29/41/09/564294109.db2.gz KKCHEACLVOVWMT-KWCYVHTRSA-N 1 3 376.854 3.405 10 0 GGAEHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@H+]1C ZINC000119896385 564294113 /nfs/dbraw/zinc/29/41/13/564294113.db2.gz KKCHEACLVOVWMT-KWCYVHTRSA-N 1 3 376.854 3.405 10 0 GGAEHO C[NH+](C)CCC1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000056522991 564650085 /nfs/dbraw/zinc/65/00/85/564650085.db2.gz HIISOFDUKSDJEI-HNNXBMFYSA-N 1 3 375.340 3.397 10 0 GGAEHO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000369927547 565118480 /nfs/dbraw/zinc/11/84/80/565118480.db2.gz NDLJWDJVZDSRQI-QFBILLFUSA-N 1 3 383.627 3.322 10 0 GGAEHO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000369927546 565118615 /nfs/dbraw/zinc/11/86/15/565118615.db2.gz NDLJWDJVZDSRQI-LPHOPBHVSA-N 1 3 383.627 3.322 10 0 GGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000170941874 565399490 /nfs/dbraw/zinc/39/94/90/565399490.db2.gz QIIMWCQASHHQAJ-CYBMUJFWSA-N 1 3 376.875 3.466 10 0 GGAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000414103863 565895508 /nfs/dbraw/zinc/89/55/08/565895508.db2.gz DYTWRTXWYMLTNK-BZUAXINKSA-N 1 3 396.373 3.242 10 0 GGAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000414103870 565895976 /nfs/dbraw/zinc/89/59/76/565895976.db2.gz DYTWRTXWYMLTNK-OWCLPIDISA-N 1 3 396.373 3.242 10 0 GGAEHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1Br ZINC000414733375 565957925 /nfs/dbraw/zinc/95/79/25/565957925.db2.gz ATKJOJSSRJSULE-HOTGVXAUSA-N 1 3 396.373 3.419 10 0 GGAEHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1Br ZINC000414733375 565957929 /nfs/dbraw/zinc/95/79/29/565957929.db2.gz ATKJOJSSRJSULE-HOTGVXAUSA-N 1 3 396.373 3.419 10 0 GGAEHO COc1sc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br ZINC000179515781 565986251 /nfs/dbraw/zinc/98/62/51/565986251.db2.gz GCICOSASYXKXLU-LBPRGKRZSA-N 1 3 391.375 3.044 10 0 GGAEHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000179700509 566001685 /nfs/dbraw/zinc/00/16/85/566001685.db2.gz SIZYDEGBFBFQER-SFHVURJKSA-N 1 3 399.373 3.243 10 0 GGAEHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418707466 566220517 /nfs/dbraw/zinc/22/05/17/566220517.db2.gz TWZCOIDBAFZBIB-ZIAGYGMSSA-N 1 3 387.355 3.337 10 0 GGAEHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000556155182 566272146 /nfs/dbraw/zinc/27/21/46/566272146.db2.gz XAVYDIQRPHTZNE-QGZVFWFLSA-N 1 3 384.337 3.193 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397675 566275396 /nfs/dbraw/zinc/27/53/96/566275396.db2.gz MTZHEUDJBWUPTD-YOEHRIQHSA-N 1 3 380.330 3.242 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395585 566275889 /nfs/dbraw/zinc/27/58/89/566275889.db2.gz LKCNFCKQLQWJPT-DYVFJYSZSA-N 1 3 398.320 3.381 10 0 GGAEHO CC(C)C[C@H](N[C@@H]1CCc2ccc(Br)cc21)C(=O)NCC[NH+](C)C ZINC000510731511 566408540 /nfs/dbraw/zinc/40/85/40/566408540.db2.gz FVWZMWXBEVJBQQ-MSOLQXFVSA-N 1 3 396.373 3.119 10 0 GGAEHO CCOC(=O)C1([C@@H](C)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921305 566464779 /nfs/dbraw/zinc/46/47/79/566464779.db2.gz PNGLKEGJWOFYDA-BXUZGUMPSA-N 1 3 387.307 3.338 10 0 GGAEHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877400 566465843 /nfs/dbraw/zinc/46/58/43/566465843.db2.gz RINHGHVXOCMFSC-OSAQELSMSA-N 1 3 376.854 3.310 10 0 GGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423069748 566473061 /nfs/dbraw/zinc/47/30/61/566473061.db2.gz BSXBAALMYJRGAB-DZGCQCFKSA-N 1 3 392.341 3.113 10 0 GGAEHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080798 566528223 /nfs/dbraw/zinc/52/82/23/566528223.db2.gz ZHVLPMSYFLCOIU-DYVFJYSZSA-N 1 3 384.337 3.191 10 0 GGAEHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449218284 566537328 /nfs/dbraw/zinc/53/73/28/566537328.db2.gz GZDDPDPNIZCESJ-KRWDZBQOSA-N 1 3 384.337 3.193 10 0 GGAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671258 566590768 /nfs/dbraw/zinc/59/07/68/566590768.db2.gz URECXGPXJLJDEQ-ZDUSSCGKSA-N 1 3 388.343 3.268 10 0 GGAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671258 566590777 /nfs/dbraw/zinc/59/07/77/566590777.db2.gz URECXGPXJLJDEQ-ZDUSSCGKSA-N 1 3 388.343 3.268 10 0 GGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccc(Br)cc2)C1 ZINC000652360193 566605985 /nfs/dbraw/zinc/60/59/85/566605985.db2.gz CLPHRPCBHHNLBD-BPQIPLTHSA-N 1 3 383.330 3.189 10 0 GGAEHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300122 566641701 /nfs/dbraw/zinc/64/17/01/566641701.db2.gz YYTWWNIFZRWQII-SJLPKXTDSA-N 1 3 394.357 3.077 10 0 GGAEHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300122 566641705 /nfs/dbraw/zinc/64/17/05/566641705.db2.gz YYTWWNIFZRWQII-SJLPKXTDSA-N 1 3 394.357 3.077 10 0 GGAEHO COc1cc(Br)ccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000514238251 566648434 /nfs/dbraw/zinc/64/84/34/566648434.db2.gz QUHPOOHJGVCOBI-GJZGRUSLSA-N 1 3 385.346 3.437 10 0 GGAEHO COc1cc(Br)ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000514238250 566648462 /nfs/dbraw/zinc/64/84/62/566648462.db2.gz QUHPOOHJGVCOBI-GASCZTMLSA-N 1 3 385.346 3.437 10 0 GGAEHO NC1(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCOCC1 ZINC000629521801 566664440 /nfs/dbraw/zinc/66/44/40/566664440.db2.gz UQYBAQBUYCDFSP-INIZCTEOSA-N 1 3 378.314 3.405 10 0 GGAEHO CCN1CC[NH+](CCCCNCc2ncc(Br)cc2Cl)CC1 ZINC000631040956 566771555 /nfs/dbraw/zinc/77/15/55/566771555.db2.gz GZFOAHCCRKIQLM-UHFFFAOYSA-N 1 3 389.769 3.005 10 0 GGAEHO Cc1c([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000655805654 566851896 /nfs/dbraw/zinc/85/18/96/566851896.db2.gz JUAZXDCVGQELBQ-RVSPLBMKSA-N 1 3 392.345 3.329 10 0 GGAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(Br)cncc2Br)C1 ZINC000655824146 566852572 /nfs/dbraw/zinc/85/25/72/566852572.db2.gz GMDDZXTZCMFFNE-AOOOYVTPSA-N 1 3 377.124 3.036 10 0 GGAEHO FC(F)Oc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563135880 566858123 /nfs/dbraw/zinc/85/81/23/566858123.db2.gz VSQKPLNSTRNQJC-TXEJJXNPSA-N 1 3 375.257 3.482 10 0 GGAEHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000564847247 567013213 /nfs/dbraw/zinc/01/32/13/567013213.db2.gz ZEWLKVIGGDBKQP-HNNXBMFYSA-N 1 3 375.340 3.443 10 0 GGAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057907 567051326 /nfs/dbraw/zinc/05/13/26/567051326.db2.gz FZPIWMSRVFLZTL-VXGBXAGGSA-N 1 3 376.257 3.423 10 0 GGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cc(Br)cs3)cc2)C1 ZINC000657594614 567074856 /nfs/dbraw/zinc/07/48/56/567074856.db2.gz JBLPZGYQWJOLFE-INIZCTEOSA-N 1 3 381.339 3.367 10 0 GGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cc(Br)cs3)cc2)C1 ZINC000657594614 567074859 /nfs/dbraw/zinc/07/48/59/567074859.db2.gz JBLPZGYQWJOLFE-INIZCTEOSA-N 1 3 381.339 3.367 10 0 GGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595115 567075089 /nfs/dbraw/zinc/07/50/89/567075089.db2.gz FKTXHMXZOWLXGE-IBGZPJMESA-N 1 3 393.300 3.445 10 0 GGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595115 567075091 /nfs/dbraw/zinc/07/50/91/567075091.db2.gz FKTXHMXZOWLXGE-IBGZPJMESA-N 1 3 393.300 3.445 10 0 GGAEHO COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc(Br)c1[O-] ZINC000657811773 567098217 /nfs/dbraw/zinc/09/82/17/567098217.db2.gz FNRZPFBJAPSUCD-UHFFFAOYSA-N 1 3 383.330 3.375 10 0 GGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140622 567123870 /nfs/dbraw/zinc/12/38/70/567123870.db2.gz VNODHFDKAYLBER-LIRRHRJNSA-N 1 3 390.325 3.262 10 0 GGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140622 567123876 /nfs/dbraw/zinc/12/38/76/567123876.db2.gz VNODHFDKAYLBER-LIRRHRJNSA-N 1 3 390.325 3.262 10 0 GGAEHO Cc1cc(Br)cc2c(C(=O)N(CCN(C)C)CC[NH+](C)C)coc21 ZINC000547785854 567246396 /nfs/dbraw/zinc/24/63/96/567246396.db2.gz RWKLOEXUMWWLGE-UHFFFAOYSA-N 1 3 396.329 3.069 10 0 GGAEHO Ic1ccc2c(c1)[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579215 567286462 /nfs/dbraw/zinc/28/64/62/567286462.db2.gz BHAIUDQRCQMQOS-HOCLYGCPSA-N 1 3 398.288 3.237 10 0 GGAEHO Ic1ccc2c(c1)[C@H](N[C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579218 567287088 /nfs/dbraw/zinc/28/70/88/567287088.db2.gz BHAIUDQRCQMQOS-ZBFHGGJFSA-N 1 3 398.288 3.237 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000617504106 567316685 /nfs/dbraw/zinc/31/66/85/567316685.db2.gz HMTJYBSWICOGMA-LBPRGKRZSA-N 1 3 385.339 3.477 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000617504106 567316690 /nfs/dbraw/zinc/31/66/90/567316690.db2.gz HMTJYBSWICOGMA-LBPRGKRZSA-N 1 3 385.339 3.477 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000617506808 567316726 /nfs/dbraw/zinc/31/67/26/567316726.db2.gz ZSUCUCDEGMPADZ-LBPRGKRZSA-N 1 3 379.854 3.361 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000617506808 567316731 /nfs/dbraw/zinc/31/67/31/567316731.db2.gz ZSUCUCDEGMPADZ-LBPRGKRZSA-N 1 3 379.854 3.361 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cccc1Br ZINC000617502343 567316771 /nfs/dbraw/zinc/31/67/71/567316771.db2.gz MDLMZVBRTRATOU-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cccc1Br ZINC000617502343 567316774 /nfs/dbraw/zinc/31/67/74/567316774.db2.gz MDLMZVBRTRATOU-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000617504016 567316800 /nfs/dbraw/zinc/31/68/00/567316800.db2.gz FKASERRMOXSZLC-ZDUSSCGKSA-N 1 3 396.329 3.197 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000617504016 567316803 /nfs/dbraw/zinc/31/68/03/567316803.db2.gz FKASERRMOXSZLC-ZDUSSCGKSA-N 1 3 396.329 3.197 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(Br)c1Cl ZINC000617506278 567316919 /nfs/dbraw/zinc/31/69/19/567316919.db2.gz IJQJQPVJJXIIFK-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(Br)c1Cl ZINC000617506278 567316922 /nfs/dbraw/zinc/31/69/22/567316922.db2.gz IJQJQPVJJXIIFK-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000617504976 567316990 /nfs/dbraw/zinc/31/69/90/567316990.db2.gz RUURMOHJOXVCLC-LBPRGKRZSA-N 1 3 384.933 3.058 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000617504976 567317001 /nfs/dbraw/zinc/31/70/01/567317001.db2.gz RUURMOHJOXVCLC-LBPRGKRZSA-N 1 3 384.933 3.058 10 0 GGAEHO Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617506906 567317336 /nfs/dbraw/zinc/31/73/36/567317336.db2.gz BZLKCVQPPPJEMN-HNNXBMFYSA-N 1 3 384.362 3.068 10 0 GGAEHO Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617506906 567317337 /nfs/dbraw/zinc/31/73/37/567317337.db2.gz BZLKCVQPPPJEMN-HNNXBMFYSA-N 1 3 384.362 3.068 10 0 GGAEHO CC[C@@H]1CN(CCCOc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592427603 567338180 /nfs/dbraw/zinc/33/81/80/567338180.db2.gz HAJIJCRIPVPUOU-CJNGLKHVSA-N 1 3 388.293 3.119 10 0 GGAEHO O[C@@H]1CCN(C2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000662159407 567414518 /nfs/dbraw/zinc/41/45/18/567414518.db2.gz ZUFTUGJKPURYOO-PJXRAHGQSA-N 1 3 379.342 3.383 10 0 GGAEHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCSc2ccc(Br)cc21 ZINC000662258905 567421682 /nfs/dbraw/zinc/42/16/82/567421682.db2.gz XXIYKWCYTAVHLB-HIFRSBDPSA-N 1 3 383.355 3.439 10 0 GGAEHO [NH3+]C/C=C\CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000641865367 567459071 /nfs/dbraw/zinc/45/90/71/567459071.db2.gz UMGUZMUNCTUXFH-UPHRSURJSA-N 1 3 385.339 3.116 10 0 GGAEHO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccc(Br)cc1)C(=O)NCCN(C)C ZINC000479293962 567522535 /nfs/dbraw/zinc/52/25/35/567522535.db2.gz FNXWOGUZUMVHDY-QAPCUYQASA-N 1 3 398.389 3.062 10 0 GGAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(Cl)ccc2I)C1 ZINC000594949226 567529104 /nfs/dbraw/zinc/52/91/04/567529104.db2.gz OEZCWPBDMXGNLV-GSJFWJNXSA-N 1 3 378.685 3.374 10 0 GGAEHO CSC1(CN[C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC[NH+](C)CC1 ZINC000571963429 567602761 /nfs/dbraw/zinc/60/27/61/567602761.db2.gz HLPYNSMHXPTDAB-AWEZNQCLSA-N 1 3 379.961 3.399 10 0 GGAEHO Clc1ccc(I)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000596651942 567647406 /nfs/dbraw/zinc/64/74/06/567647406.db2.gz SHZROLKTQZDUOB-JTNHKYCSSA-N 1 3 390.696 3.422 10 0 GGAEHO Ic1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596655311 567647419 /nfs/dbraw/zinc/64/74/19/567647419.db2.gz UUWAGKBAJMDVPS-BBWFWOEESA-N 1 3 384.305 3.344 10 0 GGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@H]21 ZINC000572655319 567655963 /nfs/dbraw/zinc/65/59/63/567655963.db2.gz YVNYTDMDTXBQCY-XYVMCAHJSA-N 1 3 378.358 3.490 10 0 GGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@H]21 ZINC000572655319 567655970 /nfs/dbraw/zinc/65/59/70/567655970.db2.gz YVNYTDMDTXBQCY-XYVMCAHJSA-N 1 3 378.358 3.490 10 0 GGAEHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541898 567720092 /nfs/dbraw/zinc/72/00/92/567720092.db2.gz CPXHZEQFBCBFMA-DOTOQJQBSA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541898 567720100 /nfs/dbraw/zinc/72/01/00/567720100.db2.gz CPXHZEQFBCBFMA-DOTOQJQBSA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541628 567720709 /nfs/dbraw/zinc/72/07/09/567720709.db2.gz RCLGUWASVPMXIN-DLBZAZTESA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541628 567720712 /nfs/dbraw/zinc/72/07/12/567720712.db2.gz RCLGUWASVPMXIN-DLBZAZTESA-N 1 3 383.374 3.371 10 0 GGAEHO CC[NH+]1CCC(N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000461883643 567751292 /nfs/dbraw/zinc/75/12/92/567751292.db2.gz OEYAZPNCBIRVCG-CQSZACIVSA-N 1 3 376.854 3.406 10 0 GGAEHO CN1CCC([NH+]2CCC(NCc3ccccc3OCc3ccccn3)CC2)CC1 ZINC000051189702 1405741162 /nfs/dbraw/zinc/74/11/62/1405741162.db2.gz DQJNFRUFMBGKNY-UHFFFAOYSA-N 1 3 394.563 3.309 10 0 GGAEHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121479 1409013342 /nfs/dbraw/zinc/01/33/42/1409013342.db2.gz HFUZMTXZZAMOEI-CQSZACIVSA-N 1 3 375.891 3.305 10 0 GGAEHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000118775624 1413217947 /nfs/dbraw/zinc/21/79/47/1413217947.db2.gz DLIUHHOKHZQVEY-UHFFFAOYSA-N 1 3 395.503 3.365 10 0 GGAEHO C[NH+]1CCN(c2cc(CNCc3ccc(-c4ccncc4)cc3F)ccn2)CC1 ZINC000119143815 1413354234 /nfs/dbraw/zinc/35/42/34/1413354234.db2.gz ASGWLWBPXFFWCW-UHFFFAOYSA-N 1 3 391.494 3.324 10 0 GGAEHO CN1CCN(c2cc(C[NH2+]Cc3ccc(-c4ccncc4)cc3F)ccn2)CC1 ZINC000119143815 1413354244 /nfs/dbraw/zinc/35/42/44/1413354244.db2.gz ASGWLWBPXFFWCW-UHFFFAOYSA-N 1 3 391.494 3.324 10 0 GGAEHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c(SC)cc1OC ZINC000153757307 1422740142 /nfs/dbraw/zinc/74/01/42/1422740142.db2.gz BKLDNJZCKDZYGZ-UHFFFAOYSA-N 1 3 393.597 3.074 10 0 GGAEHO Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)n1 ZINC000171650263 1425772962 /nfs/dbraw/zinc/77/29/62/1425772962.db2.gz XMAJWYWMJLFZPP-MBSDFSHPSA-N 1 3 378.520 3.391 10 0 GGAEHO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)n1 ZINC000171650263 1425772968 /nfs/dbraw/zinc/77/29/68/1425772968.db2.gz XMAJWYWMJLFZPP-MBSDFSHPSA-N 1 3 378.520 3.391 10 0 GGAEHO Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)n1 ZINC000171650269 1425772995 /nfs/dbraw/zinc/77/29/95/1425772995.db2.gz XMAJWYWMJLFZPP-JPYJTQIMSA-N 1 3 378.520 3.391 10 0 GGAEHO Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)n1 ZINC000171650269 1425773003 /nfs/dbraw/zinc/77/30/03/1425773003.db2.gz XMAJWYWMJLFZPP-JPYJTQIMSA-N 1 3 378.520 3.391 10 0 GGAEHO Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)n1 ZINC000246200547 1433581203 /nfs/dbraw/zinc/58/12/03/1433581203.db2.gz XMAJWYWMJLFZPP-WZONZLPQSA-N 1 3 378.520 3.391 10 0 GGAEHO Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)n1 ZINC000246200547 1433581206 /nfs/dbraw/zinc/58/12/06/1433581206.db2.gz XMAJWYWMJLFZPP-WZONZLPQSA-N 1 3 378.520 3.391 10 0 GGAEHO c1ccc(CN2CCc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3CC2)cc1 ZINC000257196971 1433895025 /nfs/dbraw/zinc/89/50/25/1433895025.db2.gz ZFHBGXQCSLGAQK-QFIPXVFZSA-N 1 3 387.531 3.326 10 0 GGAEHO c1ccc(CN2CCc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3CC2)cc1 ZINC000257196971 1433895026 /nfs/dbraw/zinc/89/50/26/1433895026.db2.gz ZFHBGXQCSLGAQK-QFIPXVFZSA-N 1 3 387.531 3.326 10 0 GGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798781 1435093512 /nfs/dbraw/zinc/09/35/12/1435093512.db2.gz DWVRKWLXKBWVKO-NQIIRXRSSA-N 1 3 395.551 3.437 10 0 GGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798782 1435093556 /nfs/dbraw/zinc/09/35/56/1435093556.db2.gz DWVRKWLXKBWVKO-RXVVDRJESA-N 1 3 395.551 3.437 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2cccc(C)c2)CC1 ZINC000466895774 1126093731 /nfs/dbraw/zinc/09/37/31/1126093731.db2.gz LMFTYNMKPZWFDG-HSZRJFAPSA-N 1 3 381.564 3.220 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccc(C)cc2)CC1 ZINC000466904006 1126093890 /nfs/dbraw/zinc/09/38/90/1126093890.db2.gz CBEFWPGJILRXSX-QHCPKHFHSA-N 1 3 381.564 3.220 10 0 GGAEHO CN(C)CCN1C(=O)c2ccccc2[C@@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000334162914 212107688 /nfs/dbraw/zinc/10/76/88/212107688.db2.gz HBFIOTUZTFTUEE-DEOSSOPVSA-N 1 3 393.531 3.384 10 0 GGAEHO CN(C)CCN1C(=O)c2ccccc2[C@H]1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000334162915 212107233 /nfs/dbraw/zinc/10/72/33/212107233.db2.gz HBFIOTUZTFTUEE-XMMPIXPASA-N 1 3 393.531 3.384 10 0 GGAEHO CN(CCn1ccc2ccccc21)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023581098 212105696 /nfs/dbraw/zinc/10/56/96/212105696.db2.gz YBZKXMJYDXDZPW-PKTZIBPZSA-N 1 3 375.516 3.310 10 0 GGAEHO O[C@H](COc1ccc(C[NH2+]CCc2ccccc2F)cc1)CN1CCCCC1 ZINC000011773282 221124452 /nfs/dbraw/zinc/12/44/52/221124452.db2.gz UEPUESIGVKPOIH-NRFANRHFSA-N 1 3 386.511 3.384 10 0 GGAEHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012458079 221198723 /nfs/dbraw/zinc/19/87/23/221198723.db2.gz CRINLFJCXLJHFR-GOSISDBHSA-N 1 3 390.549 3.190 10 0 GGAEHO COCC[N@@H+]1CCC[C@]2(CCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570232 221208180 /nfs/dbraw/zinc/20/81/80/221208180.db2.gz AESSXTZRMJWKSO-QHCPKHFHSA-N 1 3 382.552 3.423 10 0 GGAEHO COCC[N@H+]1CCC[C@]2(CCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570232 221208182 /nfs/dbraw/zinc/20/81/82/221208182.db2.gz AESSXTZRMJWKSO-QHCPKHFHSA-N 1 3 382.552 3.423 10 0 GGAEHO O[C@H](COc1ccccc1C[NH+]1CCCCC1)CN1CCc2ccccc2C1 ZINC000015073025 221331257 /nfs/dbraw/zinc/33/12/57/221331257.db2.gz OXATVEAULSWRBR-QHCPKHFHSA-N 1 3 380.532 3.471 10 0 GGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@@H+]1C ZINC000119896019 564293641 /nfs/dbraw/zinc/29/36/41/564293641.db2.gz KKCHEACLVOVWMT-MRVWCRGKSA-N 1 3 376.854 3.405 10 0 GGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@H+]1C ZINC000119896019 564293648 /nfs/dbraw/zinc/29/36/48/564293648.db2.gz KKCHEACLVOVWMT-MRVWCRGKSA-N 1 3 376.854 3.405 10 0 GGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000128327096 564615433 /nfs/dbraw/zinc/61/54/33/564615433.db2.gz FNLUYUMSLWGYFA-HNNXBMFYSA-N 1 3 386.353 3.136 10 0 GGAEHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000077752481 564862631 /nfs/dbraw/zinc/86/26/31/564862631.db2.gz HDWPCUXTLYSPIB-CYBMUJFWSA-N 1 3 375.344 3.189 10 0 GGAEHO CC[NH+](CC)CCSCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000369927548 565118837 /nfs/dbraw/zinc/11/88/37/565118837.db2.gz NDLJWDJVZDSRQI-VQIMIIECSA-N 1 3 383.627 3.322 10 0 GGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000170941873 565399856 /nfs/dbraw/zinc/39/98/56/565399856.db2.gz QIIMWCQASHHQAJ-ZDUSSCGKSA-N 1 3 376.875 3.466 10 0 GGAEHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000177881631 565878717 /nfs/dbraw/zinc/87/87/17/565878717.db2.gz LJSUCMTZQDPEJW-GOSISDBHSA-N 1 3 396.373 3.278 10 0 GGAEHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032939 565890961 /nfs/dbraw/zinc/89/09/61/565890961.db2.gz DZWVWQSMUICMJD-QAPCUYQASA-N 1 3 396.373 3.278 10 0 GGAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032915 565891387 /nfs/dbraw/zinc/89/13/87/565891387.db2.gz DZWVWQSMUICMJD-CRAIPNDOSA-N 1 3 396.373 3.278 10 0 GGAEHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205747 565902607 /nfs/dbraw/zinc/90/26/07/565902607.db2.gz XLKMRYRFZLEQDH-INIZCTEOSA-N 1 3 386.005 3.109 10 0 GGAEHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000414697289 565956973 /nfs/dbraw/zinc/95/69/73/565956973.db2.gz CAMBVXQAJAVWOX-OAHLLOKOSA-N 1 3 381.973 3.094 10 0 GGAEHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000179700524 566000979 /nfs/dbraw/zinc/00/09/79/566000979.db2.gz SIZYDEGBFBFQER-GOSISDBHSA-N 1 3 399.373 3.243 10 0 GGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@@H+]1C ZINC000247012129 566050425 /nfs/dbraw/zinc/05/04/25/566050425.db2.gz KKCHEACLVOVWMT-BNOWGMLFSA-N 1 3 376.854 3.405 10 0 GGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@H+]1C ZINC000247012129 566050430 /nfs/dbraw/zinc/05/04/30/566050430.db2.gz KKCHEACLVOVWMT-BNOWGMLFSA-N 1 3 376.854 3.405 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397667 566276517 /nfs/dbraw/zinc/27/65/17/566276517.db2.gz MTZHEUDJBWUPTD-PBHICJAKSA-N 1 3 380.330 3.242 10 0 GGAEHO COC[C@H](CCC[NH3+])NCc1cc(Br)ccc1Br ZINC000423044495 566470793 /nfs/dbraw/zinc/47/07/93/566470793.db2.gz AQQCRTKHJJRTOU-LBPRGKRZSA-N 1 3 380.124 3.055 10 0 GGAEHO COC[C@@H](CCC[NH3+])NCc1cc(Br)ccc1Br ZINC000423044494 566471572 /nfs/dbraw/zinc/47/15/72/566471572.db2.gz AQQCRTKHJJRTOU-GFCCVEGCSA-N 1 3 380.124 3.055 10 0 GGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423069907 566472972 /nfs/dbraw/zinc/47/29/72/566472972.db2.gz BSXBAALMYJRGAB-ZFWWWQNUSA-N 1 3 392.341 3.113 10 0 GGAEHO Cc1c([C@@H](C)NCCC2(C[NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000650744198 566475654 /nfs/dbraw/zinc/47/56/54/566475654.db2.gz IJAPGIZNJCEAHT-GFCCVEGCSA-N 1 3 378.318 3.118 10 0 GGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccc(Br)cc2)C1 ZINC000652360196 566605947 /nfs/dbraw/zinc/60/59/47/566605947.db2.gz CLPHRPCBHHNLBD-NXHRZFHOSA-N 1 3 383.330 3.189 10 0 GGAEHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300121 566642531 /nfs/dbraw/zinc/64/25/31/566642531.db2.gz YYTWWNIFZRWQII-FUHWJXTLSA-N 1 3 394.357 3.077 10 0 GGAEHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300121 566642536 /nfs/dbraw/zinc/64/25/36/566642536.db2.gz YYTWWNIFZRWQII-FUHWJXTLSA-N 1 3 394.357 3.077 10 0 GGAEHO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC1(N)CCOCC1 ZINC000629522409 566663630 /nfs/dbraw/zinc/66/36/30/566663630.db2.gz ZJDJRZKMAUEZOX-CQSZACIVSA-N 1 3 393.325 3.467 10 0 GGAEHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241808 566844328 /nfs/dbraw/zinc/84/43/28/566844328.db2.gz KMPCMNWBTFGRHR-TUVASFSCSA-N 1 3 384.351 3.491 10 0 GGAEHO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241809 566844769 /nfs/dbraw/zinc/84/47/69/566844769.db2.gz KMPCMNWBTFGRHR-ZQDZILKHSA-N 1 3 384.351 3.491 10 0 GGAEHO Brc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc2c1OCCO2 ZINC000518780866 566902971 /nfs/dbraw/zinc/90/29/71/566902971.db2.gz DUCVHAQNGJPLOR-UHFFFAOYSA-N 1 3 381.314 3.327 10 0 GGAEHO COc1cc(Br)ccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537265 567066978 /nfs/dbraw/zinc/06/69/78/567066978.db2.gz FVYQBQNJXJXZLG-UHFFFAOYSA-N 1 3 397.357 3.438 10 0 GGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCC1=Cc2cc(Br)ccc2OC1 ZINC000657572727 567071494 /nfs/dbraw/zinc/07/14/94/567071494.db2.gz CVHMIMWZFABDIC-HNNXBMFYSA-N 1 3 396.373 3.087 10 0 GGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Br)s3)cc2)C1 ZINC000657596103 567075010 /nfs/dbraw/zinc/07/50/10/567075010.db2.gz UWGPAJWAPBKEQA-OAHLLOKOSA-N 1 3 381.339 3.367 10 0 GGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Br)s3)cc2)C1 ZINC000657596103 567075014 /nfs/dbraw/zinc/07/50/14/567075014.db2.gz UWGPAJWAPBKEQA-OAHLLOKOSA-N 1 3 381.339 3.367 10 0 GGAEHO Cc1c(Br)cncc1CNCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657594492 567075149 /nfs/dbraw/zinc/07/51/49/567075149.db2.gz AUEDBLXHJRXEOP-GOSISDBHSA-N 1 3 390.325 3.009 10 0 GGAEHO Cc1c(Br)cncc1CNCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657594492 567075151 /nfs/dbraw/zinc/07/51/51/567075151.db2.gz AUEDBLXHJRXEOP-GOSISDBHSA-N 1 3 390.325 3.009 10 0 GGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595981 567075673 /nfs/dbraw/zinc/07/56/73/567075673.db2.gz SUBFHAVFFXPTRI-KRWDZBQOSA-N 1 3 393.300 3.445 10 0 GGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595981 567075680 /nfs/dbraw/zinc/07/56/80/567075680.db2.gz SUBFHAVFFXPTRI-KRWDZBQOSA-N 1 3 393.300 3.445 10 0 GGAEHO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504310 567316382 /nfs/dbraw/zinc/31/63/82/567316382.db2.gz PHQIRSMGHCHQMW-ZDUSSCGKSA-N 1 3 380.583 3.182 10 0 GGAEHO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504310 567316387 /nfs/dbraw/zinc/31/63/87/567316387.db2.gz PHQIRSMGHCHQMW-ZDUSSCGKSA-N 1 3 380.583 3.182 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000617505533 567317418 /nfs/dbraw/zinc/31/74/18/567317418.db2.gz GRQYRWMPKCZWQU-QWHCGFSZSA-N 1 3 390.391 3.002 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000617505533 567317424 /nfs/dbraw/zinc/31/74/24/567317424.db2.gz GRQYRWMPKCZWQU-QWHCGFSZSA-N 1 3 390.391 3.002 10 0 GGAEHO Clc1cc(I)ccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592470664 567340329 /nfs/dbraw/zinc/34/03/29/567340329.db2.gz BSHJLLQRIKZFDE-SCDSUCTJSA-N 1 3 390.696 3.422 10 0 GGAEHO Cc1cc(Br)ccc1[C@@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000641773104 567455179 /nfs/dbraw/zinc/45/51/79/567455179.db2.gz DXRYRJSTJVRCLY-OAHLLOKOSA-N 1 3 396.373 3.351 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000663442227 567508981 /nfs/dbraw/zinc/50/89/81/567508981.db2.gz FZDHEJWIYKAFOI-GJZGRUSLSA-N 1 3 399.377 3.081 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000663442227 567508985 /nfs/dbraw/zinc/50/89/85/567508985.db2.gz FZDHEJWIYKAFOI-GJZGRUSLSA-N 1 3 399.377 3.081 10 0 GGAEHO C[NH+](C)C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(Cl)c(Cl)c1 ZINC000529387951 567511429 /nfs/dbraw/zinc/51/14/29/567511429.db2.gz QWFFPQKMRQUQGK-JKIFEVAISA-N 1 3 385.339 3.132 10 0 GGAEHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000663506872 567511936 /nfs/dbraw/zinc/51/19/36/567511936.db2.gz WMETUNPIWSONON-UHFFFAOYSA-N 1 3 376.303 3.213 10 0 GGAEHO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C(=O)NCCN(C)C ZINC000479293963 567523986 /nfs/dbraw/zinc/52/39/86/567523986.db2.gz FNXWOGUZUMVHDY-YJBOKZPZSA-N 1 3 398.389 3.062 10 0 GGAEHO Brc1cnn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000552333952 567579157 /nfs/dbraw/zinc/57/91/57/567579157.db2.gz UBOARXXYZQJGKW-LDLYASANSA-N 1 3 389.341 3.431 10 0 GGAEHO Brc1cnn(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000552333952 567579160 /nfs/dbraw/zinc/57/91/60/567579160.db2.gz UBOARXXYZQJGKW-LDLYASANSA-N 1 3 389.341 3.431 10 0 GGAEHO CSC1(CN[C@H](C)c2ccc(-n3cncn3)cc2Cl)CC[NH+](C)CC1 ZINC000571963430 567602257 /nfs/dbraw/zinc/60/22/57/567602257.db2.gz HLPYNSMHXPTDAB-CQSZACIVSA-N 1 3 379.961 3.399 10 0 GGAEHO Cc1cc(Br)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665217996 567614625 /nfs/dbraw/zinc/61/46/25/567614625.db2.gz DEBTXLIBAWPTRN-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1cc(Br)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665217996 567614631 /nfs/dbraw/zinc/61/46/31/567614631.db2.gz DEBTXLIBAWPTRN-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000665637220 567631061 /nfs/dbraw/zinc/63/10/61/567631061.db2.gz YFLLJLHFCSIMJE-AWEZNQCLSA-N 1 3 389.371 3.407 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000665637220 567631067 /nfs/dbraw/zinc/63/10/67/567631067.db2.gz YFLLJLHFCSIMJE-AWEZNQCLSA-N 1 3 389.371 3.407 10 0 GGAEHO COc1c(Cl)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000665926390 567644557 /nfs/dbraw/zinc/64/45/57/567644557.db2.gz GBWSDCPOVNXUFF-LBPRGKRZSA-N 1 3 391.343 3.396 10 0 GGAEHO COc1c(Cl)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000665926390 567644559 /nfs/dbraw/zinc/64/45/59/567644559.db2.gz GBWSDCPOVNXUFF-LBPRGKRZSA-N 1 3 391.343 3.396 10 0 GGAEHO Clc1ccc(I)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000596651943 567646441 /nfs/dbraw/zinc/64/64/41/567646441.db2.gz SHZROLKTQZDUOB-MISXGVKJSA-N 1 3 390.696 3.422 10 0 GGAEHO CCOC(=O)C1([C@H](C)NCc2sc(C)cc2Br)CC[NH2+]CC1 ZINC000596651817 567646618 /nfs/dbraw/zinc/64/66/18/567646618.db2.gz OBOHXXBNEMZJAF-LBPRGKRZSA-N 1 3 389.359 3.230 10 0 GGAEHO Clc1ccc(I)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000596651944 567646779 /nfs/dbraw/zinc/64/67/79/567646779.db2.gz SHZROLKTQZDUOB-UHIISALHSA-N 1 3 390.696 3.422 10 0 GGAEHO Cc1c(Br)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665947608 567647515 /nfs/dbraw/zinc/64/75/15/567647515.db2.gz SSHPIAINGJNPCR-ZDUSSCGKSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1c(Br)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665947608 567647519 /nfs/dbraw/zinc/64/75/19/567647519.db2.gz SSHPIAINGJNPCR-ZDUSSCGKSA-N 1 3 385.350 3.151 10 0 GGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@@H]21 ZINC000572655317 567656602 /nfs/dbraw/zinc/65/66/02/567656602.db2.gz YVNYTDMDTXBQCY-LMSBXDPUSA-N 1 3 378.358 3.490 10 0 GGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@@H]21 ZINC000572655317 567656607 /nfs/dbraw/zinc/65/66/07/567656607.db2.gz YVNYTDMDTXBQCY-LMSBXDPUSA-N 1 3 378.358 3.490 10 0 GGAEHO CN1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1(C)C ZINC000442880321 567714443 /nfs/dbraw/zinc/71/44/43/567714443.db2.gz YGVLYCXSXHKBCH-QGZVFWFLSA-N 1 3 396.373 3.278 10 0 GGAEHO C[N@@H+]1CC[C@@H](NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542340 567720490 /nfs/dbraw/zinc/72/04/90/567720490.db2.gz WKHYSAZGQSOVJL-LSDHHAIUSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@@H](NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542340 567720496 /nfs/dbraw/zinc/72/04/96/567720496.db2.gz WKHYSAZGQSOVJL-LSDHHAIUSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541801 567720939 /nfs/dbraw/zinc/72/09/39/567720939.db2.gz YQKDOESWHFJELP-BBRMVZONSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541801 567720942 /nfs/dbraw/zinc/72/09/42/567720942.db2.gz YQKDOESWHFJELP-BBRMVZONSA-N 1 3 387.337 3.202 10 0 GGAEHO Oc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cc1 ZINC000020864941 570282602 /nfs/dbraw/zinc/28/26/02/570282602.db2.gz SJAJQQOHLKKKDM-PKTZIBPZSA-N 1 3 378.516 3.437 10 0 GGAEHO CC(C)n1cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914633 570571811 /nfs/dbraw/zinc/57/18/11/570571811.db2.gz PVTDDJFDXCTTHR-QFIPXVFZSA-N 1 3 398.595 3.185 10 0 GGAEHO CN1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)cc2)CC1 ZINC000048782995 1405291894 /nfs/dbraw/zinc/29/18/94/1405291894.db2.gz GGWQFUGFAGRGHH-UHFFFAOYSA-N 1 3 393.510 3.253 10 0 GGAEHO CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093282885 1410229634 /nfs/dbraw/zinc/22/96/34/1410229634.db2.gz IESMWEDLPCADAF-UHFFFAOYSA-N 1 3 391.556 3.458 10 0 GGAEHO Cn1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000103173665 1410834314 /nfs/dbraw/zinc/83/43/14/1410834314.db2.gz BFEUZOCHVTYXRM-FQEVSTJZSA-N 1 3 375.520 3.136 10 0 GGAEHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000120423987 1413814778 /nfs/dbraw/zinc/81/47/78/1413814778.db2.gz BBCRXRLMZQQQSA-IBGZPJMESA-N 1 3 393.453 3.084 10 0 GGAEHO c1ccc(CC[NH+]2CCC(NC[C@H](c3ccccc3)N3CCOCC3)CC2)cc1 ZINC000120623575 1413858320 /nfs/dbraw/zinc/85/83/20/1413858320.db2.gz FEYABVYXBYMTRV-RUZDIDTESA-N 1 3 393.575 3.357 10 0 GGAEHO CCCOc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1OC ZINC000126034371 1415341228 /nfs/dbraw/zinc/34/12/28/1415341228.db2.gz BUAXWUQDPMYZGU-UHFFFAOYSA-N 1 3 375.557 3.132 10 0 GGAEHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599554 1417331296 /nfs/dbraw/zinc/33/12/96/1417331296.db2.gz BWGVTWKVEKZQBU-SFTDATJTSA-N 1 3 382.508 3.126 10 0 GGAEHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769939 1433514560 /nfs/dbraw/zinc/51/45/60/1433514560.db2.gz XAZYJTRDOALTOW-WBDAEOGXSA-N 1 3 377.532 3.478 10 0 GGAEHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769939 1433514568 /nfs/dbraw/zinc/51/45/68/1433514568.db2.gz XAZYJTRDOALTOW-WBDAEOGXSA-N 1 3 377.532 3.478 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000480500292 1126094983 /nfs/dbraw/zinc/09/49/83/1126094983.db2.gz QMAZNUNFDVAHBH-QFIPXVFZSA-N 1 3 385.527 3.051 10 0 GGAEHO COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@H](O)CN1CCCC1 ZINC000012459337 204845621 /nfs/dbraw/zinc/84/56/21/204845621.db2.gz JCPZGBWLSBJIBH-JOCHJYFZSA-N 1 3 398.547 3.171 10 0 GGAEHO Cc1sc2nc(CC[NH3+])nc(N(CCN(C)C)Cc3ccccc3)c2c1C ZINC000055255712 205146428 /nfs/dbraw/zinc/14/64/28/205146428.db2.gz AZLVRUAQHQKMBE-UHFFFAOYSA-N 1 3 383.565 3.378 10 0 GGAEHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000155081719 565061412 /nfs/dbraw/zinc/06/14/12/565061412.db2.gz YXILIQRQXQCYTD-MRXNPFEDSA-N 1 3 387.355 3.116 10 0 GGAEHO C[NH+]1CCC(CN[C@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186175898 565244488 /nfs/dbraw/zinc/24/44/88/565244488.db2.gz IBSKIGSHZFYIPE-GOSISDBHSA-N 1 3 375.314 3.260 10 0 GGAEHO CN(C)CC[NH+]1CCC(Nc2ccnc3cc(Br)ccc32)CC1 ZINC000301308679 565478230 /nfs/dbraw/zinc/47/82/30/565478230.db2.gz DBPPSWIAXOMXOE-UHFFFAOYSA-N 1 3 377.330 3.435 10 0 GGAEHO C[NH+](C)CCN1CCC(Nc2ccnc3cc(Br)ccc32)CC1 ZINC000301308679 565478236 /nfs/dbraw/zinc/47/82/36/565478236.db2.gz DBPPSWIAXOMXOE-UHFFFAOYSA-N 1 3 377.330 3.435 10 0 GGAEHO Cn1ncc(Br)c1CNCC1CC[NH+](Cc2cccs2)CC1 ZINC000278575278 565567477 /nfs/dbraw/zinc/56/74/77/565567477.db2.gz XTXMALLRZYEKQQ-UHFFFAOYSA-N 1 3 383.359 3.246 10 0 GGAEHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000177881645 565878589 /nfs/dbraw/zinc/87/85/89/565878589.db2.gz LJSUCMTZQDPEJW-SFHVURJKSA-N 1 3 396.373 3.278 10 0 GGAEHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000414206653 565903147 /nfs/dbraw/zinc/90/31/47/565903147.db2.gz YPALLORJGUBPND-OAHLLOKOSA-N 1 3 386.367 3.441 10 0 GGAEHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1Br ZINC000414733379 565957389 /nfs/dbraw/zinc/95/73/89/565957389.db2.gz ATKJOJSSRJSULE-JKSUJKDBSA-N 1 3 396.373 3.419 10 0 GGAEHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1Br ZINC000414733379 565957393 /nfs/dbraw/zinc/95/73/93/565957393.db2.gz ATKJOJSSRJSULE-JKSUJKDBSA-N 1 3 396.373 3.419 10 0 GGAEHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1Br ZINC000414733373 565957742 /nfs/dbraw/zinc/95/77/42/565957742.db2.gz ATKJOJSSRJSULE-CVEARBPZSA-N 1 3 396.373 3.419 10 0 GGAEHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1Br ZINC000414733373 565957746 /nfs/dbraw/zinc/95/77/46/565957746.db2.gz ATKJOJSSRJSULE-CVEARBPZSA-N 1 3 396.373 3.419 10 0 GGAEHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1Br ZINC000414733377 565958045 /nfs/dbraw/zinc/95/80/45/565958045.db2.gz ATKJOJSSRJSULE-HZPDHXFCSA-N 1 3 396.373 3.419 10 0 GGAEHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1Br ZINC000414733377 565958050 /nfs/dbraw/zinc/95/80/50/565958050.db2.gz ATKJOJSSRJSULE-HZPDHXFCSA-N 1 3 396.373 3.419 10 0 GGAEHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000414982144 565968115 /nfs/dbraw/zinc/96/81/15/565968115.db2.gz YMKXWLTXWIJASK-OAHLLOKOSA-N 1 3 388.293 3.038 10 0 GGAEHO CC1(C)C[NH2+]CC[C@H]1NCCCOc1cccc(I)c1 ZINC000414982144 565968119 /nfs/dbraw/zinc/96/81/19/565968119.db2.gz YMKXWLTXWIJASK-OAHLLOKOSA-N 1 3 388.293 3.038 10 0 GGAEHO Brc1ccc(N2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246733423 566038353 /nfs/dbraw/zinc/03/83/53/566038353.db2.gz NZPTXHHXXSSNBG-AYBZRNKSSA-N 1 3 378.358 3.492 10 0 GGAEHO Brc1ccc(N2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246733423 566038359 /nfs/dbraw/zinc/03/83/59/566038359.db2.gz NZPTXHHXXSSNBG-AYBZRNKSSA-N 1 3 378.358 3.492 10 0 GGAEHO Brc1ccc(N2CC[C@H](C[NH2+][C@H]3CCN4CCC[C@H]4C3)C2)cc1 ZINC000246733423 566038363 /nfs/dbraw/zinc/03/83/63/566038363.db2.gz NZPTXHHXXSSNBG-AYBZRNKSSA-N 1 3 378.358 3.492 10 0 GGAEHO Brc1ccc(N2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246733445 566038703 /nfs/dbraw/zinc/03/87/03/566038703.db2.gz NZPTXHHXXSSNBG-SUMDDJOVSA-N 1 3 378.358 3.492 10 0 GGAEHO Brc1ccc(N2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246733445 566038706 /nfs/dbraw/zinc/03/87/06/566038706.db2.gz NZPTXHHXXSSNBG-SUMDDJOVSA-N 1 3 378.358 3.492 10 0 GGAEHO Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCN4CCC[C@H]4C3)C2)cc1 ZINC000246733445 566038709 /nfs/dbraw/zinc/03/87/09/566038709.db2.gz NZPTXHHXXSSNBG-SUMDDJOVSA-N 1 3 378.358 3.492 10 0 GGAEHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@@H+]1C ZINC000247012148 566050204 /nfs/dbraw/zinc/05/02/04/566050204.db2.gz KKCHEACLVOVWMT-XBFCOCLRSA-N 1 3 376.854 3.405 10 0 GGAEHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@H+]1C ZINC000247012148 566050209 /nfs/dbraw/zinc/05/02/09/566050209.db2.gz KKCHEACLVOVWMT-XBFCOCLRSA-N 1 3 376.854 3.405 10 0 GGAEHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000556155179 566272819 /nfs/dbraw/zinc/27/28/19/566272819.db2.gz XAVYDIQRPHTZNE-KRWDZBQOSA-N 1 3 384.337 3.193 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383547 566276199 /nfs/dbraw/zinc/27/61/99/566276199.db2.gz DJVRCQFSRGPOPF-PBHICJAKSA-N 1 3 380.330 3.242 10 0 GGAEHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383552 566276854 /nfs/dbraw/zinc/27/68/54/566276854.db2.gz DJVRCQFSRGPOPF-YOEHRIQHSA-N 1 3 380.330 3.242 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397673 566276961 /nfs/dbraw/zinc/27/69/61/566276961.db2.gz MTZHEUDJBWUPTD-WMLDXEAASA-N 1 3 380.330 3.242 10 0 GGAEHO CC[NH+]1CCC(N2CCCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000420983225 566333812 /nfs/dbraw/zinc/33/38/12/566333812.db2.gz QEOIYQFTGMEMTL-UHFFFAOYSA-N 1 3 380.374 3.441 10 0 GGAEHO CCOC(=O)C1([C@@H](C)N[C@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921389 566464685 /nfs/dbraw/zinc/46/46/85/566464685.db2.gz PNGLKEGJWOFYDA-RISCZKNCSA-N 1 3 387.307 3.338 10 0 GGAEHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877402 566465046 /nfs/dbraw/zinc/46/50/46/566465046.db2.gz RINHGHVXOCMFSC-UXIGCNINSA-N 1 3 376.854 3.310 10 0 GGAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873979 566465204 /nfs/dbraw/zinc/46/52/04/566465204.db2.gz MVDGZKGYRYIAPL-WHOFXGATSA-N 1 3 376.854 3.440 10 0 GGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422873979 566465209 /nfs/dbraw/zinc/46/52/09/566465209.db2.gz MVDGZKGYRYIAPL-WHOFXGATSA-N 1 3 376.854 3.440 10 0 GGAEHO CC(C)C[C@H](N[C@H](C)c1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000538546092 566519694 /nfs/dbraw/zinc/51/96/94/566519694.db2.gz NKVWBKGEXCUZHJ-PBHICJAKSA-N 1 3 384.362 3.192 10 0 GGAEHO CN(C)CCN1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449079378 566526958 /nfs/dbraw/zinc/52/69/58/566526958.db2.gz YMGJSQOROXAOFU-KRWDZBQOSA-N 1 3 384.337 3.191 10 0 GGAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080797 566527856 /nfs/dbraw/zinc/52/78/56/566527856.db2.gz ZHVLPMSYFLCOIU-CXAGYDPISA-N 1 3 384.337 3.191 10 0 GGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccc(Br)cc2)C1 ZINC000652360194 566605907 /nfs/dbraw/zinc/60/59/07/566605907.db2.gz CLPHRPCBHHNLBD-KBAYOESNSA-N 1 3 383.330 3.189 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708562 566619174 /nfs/dbraw/zinc/61/91/74/566619174.db2.gz TZJUHBAEWKMBNP-FVQBIDKESA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708562 566619178 /nfs/dbraw/zinc/61/91/78/566619178.db2.gz TZJUHBAEWKMBNP-FVQBIDKESA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708562 566619186 /nfs/dbraw/zinc/61/91/86/566619186.db2.gz TZJUHBAEWKMBNP-FVQBIDKESA-N 1 3 383.330 3.429 10 0 GGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000513713695 566619734 /nfs/dbraw/zinc/61/97/34/566619734.db2.gz RWONHAOKMPEPNJ-CWRNSKLLSA-N 1 3 381.314 3.183 10 0 GGAEHO COc1cc(Br)ccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000514238252 566649067 /nfs/dbraw/zinc/64/90/67/566649067.db2.gz QUHPOOHJGVCOBI-HUUCEWRRSA-N 1 3 385.346 3.437 10 0 GGAEHO NC1(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCOCC1 ZINC000629521802 566664867 /nfs/dbraw/zinc/66/48/67/566664867.db2.gz UQYBAQBUYCDFSP-MRXNPFEDSA-N 1 3 378.314 3.405 10 0 GGAEHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582241807 566844100 /nfs/dbraw/zinc/84/41/00/566844100.db2.gz KMPCMNWBTFGRHR-LJISPDSOSA-N 1 3 384.351 3.491 10 0 GGAEHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1cccc(Br)c1 ZINC000563002287 566844454 /nfs/dbraw/zinc/84/44/54/566844454.db2.gz FZDCWNGVFCQFNX-UHFFFAOYSA-N 1 3 380.330 3.384 10 0 GGAEHO CC(C)C[C@H](N[C@@H](C)c1cc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000494649679 567015781 /nfs/dbraw/zinc/01/57/81/567015781.db2.gz RGAYGQOCIDPNSX-JSGCOSHPSA-N 1 3 390.391 3.254 10 0 GGAEHO COc1c(Br)cccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537425 567067077 /nfs/dbraw/zinc/06/70/77/567067077.db2.gz KNQFJYPTDNCRFS-UHFFFAOYSA-N 1 3 397.357 3.438 10 0 GGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Br)cc3)cc2)C1 ZINC000657593777 567074118 /nfs/dbraw/zinc/07/41/18/567074118.db2.gz KRFPFOMOQVNPAU-LJQANCHMSA-N 1 3 375.310 3.306 10 0 GGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Br)cc3)cc2)C1 ZINC000657593777 567074126 /nfs/dbraw/zinc/07/41/26/567074126.db2.gz KRFPFOMOQVNPAU-LJQANCHMSA-N 1 3 375.310 3.306 10 0 GGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(Br)c3)cc2)C1 ZINC000657593346 567074281 /nfs/dbraw/zinc/07/42/81/567074281.db2.gz GBOOFHLIIQENHL-LJQANCHMSA-N 1 3 375.310 3.306 10 0 GGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(Br)c3)cc2)C1 ZINC000657593346 567074288 /nfs/dbraw/zinc/07/42/88/567074288.db2.gz GBOOFHLIIQENHL-LJQANCHMSA-N 1 3 375.310 3.306 10 0 GGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595983 567074672 /nfs/dbraw/zinc/07/46/72/567074672.db2.gz SUBFHAVFFXPTRI-QGZVFWFLSA-N 1 3 393.300 3.445 10 0 GGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595983 567074674 /nfs/dbraw/zinc/07/46/74/567074674.db2.gz SUBFHAVFFXPTRI-QGZVFWFLSA-N 1 3 393.300 3.445 10 0 GGAEHO Cc1c(Br)cncc1CNCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657594493 567075223 /nfs/dbraw/zinc/07/52/23/567075223.db2.gz AUEDBLXHJRXEOP-SFHVURJKSA-N 1 3 390.325 3.009 10 0 GGAEHO Cc1c(Br)cncc1CNCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657594493 567075226 /nfs/dbraw/zinc/07/52/26/567075226.db2.gz AUEDBLXHJRXEOP-SFHVURJKSA-N 1 3 390.325 3.009 10 0 GGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140619 567123799 /nfs/dbraw/zinc/12/37/99/567123799.db2.gz VNODHFDKAYLBER-AUUYWEPGSA-N 1 3 390.325 3.262 10 0 GGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140619 567123805 /nfs/dbraw/zinc/12/38/05/567123805.db2.gz VNODHFDKAYLBER-AUUYWEPGSA-N 1 3 390.325 3.262 10 0 GGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140620 567124668 /nfs/dbraw/zinc/12/46/68/567124668.db2.gz VNODHFDKAYLBER-IFXJQAMLSA-N 1 3 390.325 3.262 10 0 GGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140620 567124674 /nfs/dbraw/zinc/12/46/74/567124674.db2.gz VNODHFDKAYLBER-IFXJQAMLSA-N 1 3 390.325 3.262 10 0 GGAEHO Brc1ccc(-n2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000566915318 567201643 /nfs/dbraw/zinc/20/16/43/567201643.db2.gz IKLKLPAQKCNHRO-IYBDPMFKSA-N 1 3 375.314 3.066 10 0 GGAEHO CN1CC=C(C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638838390 567275111 /nfs/dbraw/zinc/27/51/11/567275111.db2.gz HVKLIPRAHZADJM-OALUTQOASA-N 1 3 378.358 3.436 10 0 GGAEHO Ic1ccc2c(c1)[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000591579214 567286556 /nfs/dbraw/zinc/28/65/56/567286556.db2.gz BHAIUDQRCQMQOS-GOEBONIOSA-N 1 3 398.288 3.237 10 0 GGAEHO C[NH+](C)CC1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685619210 567289464 /nfs/dbraw/zinc/28/94/64/567289464.db2.gz XOOOPKNQDZUOPW-UHFFFAOYSA-N 1 3 392.345 3.240 10 0 GGAEHO Cc1sc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000617507932 567316322 /nfs/dbraw/zinc/31/63/22/567316322.db2.gz OZPDEYBRJQYBSY-NSHDSACASA-N 1 3 390.391 3.129 10 0 GGAEHO Cc1sc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000617507932 567316326 /nfs/dbraw/zinc/31/63/26/567316326.db2.gz OZPDEYBRJQYBSY-NSHDSACASA-N 1 3 390.391 3.129 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1Br ZINC000617504177 567316876 /nfs/dbraw/zinc/31/68/76/567316876.db2.gz JEEXRWICJNXKFG-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ccc1Br ZINC000617504177 567316882 /nfs/dbraw/zinc/31/68/82/567316882.db2.gz JEEXRWICJNXKFG-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)ccc1Cl ZINC000617503775 567317547 /nfs/dbraw/zinc/31/75/47/567317547.db2.gz YTTQPWFMBGCPFN-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)ccc1Cl ZINC000617503775 567317551 /nfs/dbraw/zinc/31/75/51/567317551.db2.gz YTTQPWFMBGCPFN-LBPRGKRZSA-N 1 3 390.753 3.104 10 0 GGAEHO Clc1cc(I)ccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592470665 567341169 /nfs/dbraw/zinc/34/11/69/567341169.db2.gz BSHJLLQRIKZFDE-VHRBIJSZSA-N 1 3 390.696 3.422 10 0 GGAEHO Brc1sccc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000527650191 567354336 /nfs/dbraw/zinc/35/43/36/567354336.db2.gz NYISMMFQROIGMG-UHFFFAOYSA-N 1 3 395.370 3.208 10 0 GGAEHO O[C@H]1CCN(C2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000662159408 567415224 /nfs/dbraw/zinc/41/52/24/567415224.db2.gz ZUFTUGJKPURYOO-SOHNTWGLSA-N 1 3 379.342 3.383 10 0 GGAEHO Brc1cnn(C2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000662255957 567422426 /nfs/dbraw/zinc/42/24/26/567422426.db2.gz SUOTWSJWSMSMDZ-UHFFFAOYSA-N 1 3 375.314 3.128 10 0 GGAEHO CC(C)(NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000438670494 567540547 /nfs/dbraw/zinc/54/05/47/567540547.db2.gz WEJSYMZXIPQRKC-UHFFFAOYSA-N 1 3 394.357 3.017 10 0 GGAEHO Brc1cnn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000552333953 567579133 /nfs/dbraw/zinc/57/91/33/567579133.db2.gz UBOARXXYZQJGKW-REPLKXPHSA-N 1 3 389.341 3.431 10 0 GGAEHO Brc1cnn(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000552333953 567579139 /nfs/dbraw/zinc/57/91/39/567579139.db2.gz UBOARXXYZQJGKW-REPLKXPHSA-N 1 3 389.341 3.431 10 0 GGAEHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2ccccc2Br)CC1 ZINC000665285252 567615976 /nfs/dbraw/zinc/61/59/76/567615976.db2.gz HRCQCKLKLKMBOG-CQSZACIVSA-N 1 3 382.346 3.090 10 0 GGAEHO CCOC(=O)C1([C@@H](C)NCc2sc(C)cc2Br)CC[NH2+]CC1 ZINC000596651816 567647080 /nfs/dbraw/zinc/64/70/80/567647080.db2.gz OBOHXXBNEMZJAF-GFCCVEGCSA-N 1 3 389.359 3.230 10 0 GGAEHO Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Br)c1 ZINC000666396470 567670777 /nfs/dbraw/zinc/67/07/77/567670777.db2.gz ACSGCZHDOKJURE-HNNXBMFYSA-N 1 3 399.377 3.459 10 0 GGAEHO Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Br)c1 ZINC000666396470 567670784 /nfs/dbraw/zinc/67/07/84/567670784.db2.gz ACSGCZHDOKJURE-HNNXBMFYSA-N 1 3 399.377 3.459 10 0 GGAEHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412881 567709344 /nfs/dbraw/zinc/70/93/44/567709344.db2.gz BBOWOFOAXQBJQV-MRXNPFEDSA-N 1 3 396.373 3.260 10 0 GGAEHO CN(Cc1ccccc1Br)C(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412881 567709350 /nfs/dbraw/zinc/70/93/50/567709350.db2.gz BBOWOFOAXQBJQV-MRXNPFEDSA-N 1 3 396.373 3.260 10 0 GGAEHO CCOCCOc1ccc(Br)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952083 567714077 /nfs/dbraw/zinc/71/40/77/567714077.db2.gz FJZKFWHPXZPPPO-QGZVFWFLSA-N 1 3 383.330 3.096 10 0 GGAEHO CCCOc1c(Br)cc(CN[C@H]2CC23CC[NH2+]CC3)cc1OC ZINC000666950713 567714384 /nfs/dbraw/zinc/71/43/84/567714384.db2.gz CEDPKFSFNJLBAR-INIZCTEOSA-N 1 3 383.330 3.478 10 0 GGAEHO COc1ccc(C[C@@H](CO)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541407 567720618 /nfs/dbraw/zinc/72/06/18/567720618.db2.gz HYXJNBMQWVENKH-HZPDHXFCSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(C[C@@H](CO)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541407 567720622 /nfs/dbraw/zinc/72/06/22/567720622.db2.gz HYXJNBMQWVENKH-HZPDHXFCSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542229 567720755 /nfs/dbraw/zinc/72/07/55/567720755.db2.gz SCSNILHNECWLNA-WMLDXEAASA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542229 567720758 /nfs/dbraw/zinc/72/07/58/567720758.db2.gz SCSNILHNECWLNA-WMLDXEAASA-N 1 3 399.373 3.071 10 0 GGAEHO C[NH+](C)CCOc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000048717241 1405267292 /nfs/dbraw/zinc/26/72/92/1405267292.db2.gz FMLVYLCJSLGXKC-UHFFFAOYSA-N 1 3 376.884 3.341 10 0 GGAEHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc(OC(F)F)c3)cc2)CC1 ZINC000057965634 1407762408 /nfs/dbraw/zinc/76/24/08/1407762408.db2.gz BOSZHBFOMJGAQM-UHFFFAOYSA-N 1 3 375.463 3.325 10 0 GGAEHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)N(C)C)cc1 ZINC000176458041 1428326134 /nfs/dbraw/zinc/32/61/34/1428326134.db2.gz AIJDLPIZYSNMIS-FQEVSTJZSA-N 1 3 388.581 3.433 10 0 GGAEHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccs2)N(C)C)cc1 ZINC000176458029 1428326352 /nfs/dbraw/zinc/32/63/52/1428326352.db2.gz AIJDLPIZYSNMIS-HXUWFJFHSA-N 1 3 388.581 3.433 10 0 GGAEHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452457 1410311165 /nfs/dbraw/zinc/31/11/65/1410311165.db2.gz BXXRRMJKRKGQLS-WOJBJXKFSA-N 1 3 389.584 3.323 10 0 GGAEHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452457 1410311174 /nfs/dbraw/zinc/31/11/74/1410311174.db2.gz BXXRRMJKRKGQLS-WOJBJXKFSA-N 1 3 389.584 3.323 10 0 GGAEHO Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000103343244 1410849927 /nfs/dbraw/zinc/84/99/27/1410849927.db2.gz BEXCSUUQMMTXJJ-UHFFFAOYSA-N 1 3 389.547 3.422 10 0 GGAEHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000136599633 1417331329 /nfs/dbraw/zinc/33/13/29/1417331329.db2.gz BWGVTWKVEKZQBU-LEWJYISDSA-N 1 3 382.508 3.126 10 0 GGAEHO C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183735484 1430783706 /nfs/dbraw/zinc/78/37/06/1430783706.db2.gz CLHGYYFOPMPLQR-KRWDZBQOSA-N 1 3 383.492 3.434 10 0 GGAEHO O=C1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CN1c1ccccc1 ZINC000238134769 1433443834 /nfs/dbraw/zinc/44/38/34/1433443834.db2.gz GLPQUBMRGIAWGN-FQEVSTJZSA-N 1 3 379.504 3.056 10 0 GGAEHO O=C1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CN1c1ccccc1 ZINC000238130006 1433443889 /nfs/dbraw/zinc/44/38/89/1433443889.db2.gz GLPQUBMRGIAWGN-HXUWFJFHSA-N 1 3 379.504 3.056 10 0 GGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798780 1435093386 /nfs/dbraw/zinc/09/33/86/1435093386.db2.gz DWVRKWLXKBWVKO-GHTZIAJQSA-N 1 3 395.551 3.437 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccc(C)cc2)CC1 ZINC000466904005 1126093975 /nfs/dbraw/zinc/09/39/75/1126093975.db2.gz CBEFWPGJILRXSX-HSZRJFAPSA-N 1 3 381.564 3.220 10 0 GGAEHO O[C@@H](COc1ccccc1C[NH+]1CCCCC1)CN1CCc2ccccc2C1 ZINC000015073022 207044377 /nfs/dbraw/zinc/04/43/77/207044377.db2.gz OXATVEAULSWRBR-HSZRJFAPSA-N 1 3 380.532 3.471 10 0 GGAEHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452459 208184316 /nfs/dbraw/zinc/18/43/16/208184316.db2.gz BXXRRMJKRKGQLS-UXHICEINSA-N 1 3 389.584 3.323 10 0 GGAEHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452459 208184321 /nfs/dbraw/zinc/18/43/21/208184321.db2.gz BXXRRMJKRKGQLS-UXHICEINSA-N 1 3 389.584 3.323 10 0 GGAEHO CN(C)CCN1CCC([NH2+]C2CCC(O)(c3cccc(Cl)c3)CC2)CC1 ZINC000096009152 208253155 /nfs/dbraw/zinc/25/31/55/208253155.db2.gz GLNAQPDDRQKMTH-UHFFFAOYSA-N 1 3 379.976 3.086 10 0 GGAEHO OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCC3)s2)CCN1C1CCCC1 ZINC000019220110 527567604 /nfs/dbraw/zinc/56/76/04/527567604.db2.gz XODUWLIFNBHVAY-LJQANCHMSA-N 1 3 377.598 3.155 10 0 GGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000128327315 564615129 /nfs/dbraw/zinc/61/51/29/564615129.db2.gz FNLUYUMSLWGYFA-OAHLLOKOSA-N 1 3 386.353 3.136 10 0 GGAEHO OC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(Br)c1 ZINC000297775711 565385130 /nfs/dbraw/zinc/38/51/30/565385130.db2.gz VWUSIFHPWICSAD-GOSISDBHSA-N 1 3 376.298 3.136 10 0 GGAEHO C[NH+](C)CCN1CCC(Nc2ccnc3ccc(Br)cc32)CC1 ZINC000301129178 565466140 /nfs/dbraw/zinc/46/61/40/565466140.db2.gz QEJWPIMYWAIOLB-UHFFFAOYSA-N 1 3 377.330 3.435 10 0 GGAEHO Cc1ccc(Br)cc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192993495 565723160 /nfs/dbraw/zinc/72/31/60/565723160.db2.gz CXZMDZCVSGFHQS-MQVJKMGUSA-N 1 3 380.330 3.301 10 0 GGAEHO Cc1ccc(Br)cc1NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192993495 565723163 /nfs/dbraw/zinc/72/31/63/565723163.db2.gz CXZMDZCVSGFHQS-MQVJKMGUSA-N 1 3 380.330 3.301 10 0 GGAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000414103873 565895222 /nfs/dbraw/zinc/89/52/22/565895222.db2.gz DYTWRTXWYMLTNK-PMPSAXMXSA-N 1 3 396.373 3.242 10 0 GGAEHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000414103867 565895894 /nfs/dbraw/zinc/89/58/94/565895894.db2.gz DYTWRTXWYMLTNK-OAGGEKHMSA-N 1 3 396.373 3.242 10 0 GGAEHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414205748 565903142 /nfs/dbraw/zinc/90/31/42/565903142.db2.gz XLKMRYRFZLEQDH-MRXNPFEDSA-N 1 3 386.005 3.109 10 0 GGAEHO Fc1ccc(Br)c(F)c1CNC1CCC([NH+]2CCNCC2)CC1 ZINC000415048208 565971466 /nfs/dbraw/zinc/97/14/66/565971466.db2.gz FWFSKRCHTARBFB-UHFFFAOYSA-N 1 3 388.300 3.033 10 0 GGAEHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418707462 566220508 /nfs/dbraw/zinc/22/05/08/566220508.db2.gz TWZCOIDBAFZBIB-KGLIPLIRSA-N 1 3 387.355 3.337 10 0 GGAEHO Cc1c([C@H](C)NCCCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481961466 566269015 /nfs/dbraw/zinc/26/90/15/566269015.db2.gz NYFQJEFLVXJIAO-ZDUSSCGKSA-N 1 3 380.334 3.331 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381829 566276370 /nfs/dbraw/zinc/27/63/70/566276370.db2.gz CTFLKXBYRMIMSL-RHSMWYFYSA-N 1 3 380.330 3.242 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395583 566277106 /nfs/dbraw/zinc/27/71/06/566277106.db2.gz LKCNFCKQLQWJPT-CXAGYDPISA-N 1 3 398.320 3.381 10 0 GGAEHO C[C@H](Cn1cc(Br)ccc1=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000556237118 566278364 /nfs/dbraw/zinc/27/83/64/566278364.db2.gz SMKQTVPGAMQIQV-MRXNPFEDSA-N 1 3 392.341 3.111 10 0 GGAEHO C[C@H](Cn1cc(Br)ccc1=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000556237118 566278368 /nfs/dbraw/zinc/27/83/68/566278368.db2.gz SMKQTVPGAMQIQV-MRXNPFEDSA-N 1 3 392.341 3.111 10 0 GGAEHO Brc1cc2c(cc1CN1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCCO2 ZINC000576875000 566386580 /nfs/dbraw/zinc/38/65/80/566386580.db2.gz GUJVEMHACRWJTN-OKILXGFUSA-N 1 3 381.314 3.042 10 0 GGAEHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877398 566465146 /nfs/dbraw/zinc/46/51/46/566465146.db2.gz RINHGHVXOCMFSC-KYOSRNDESA-N 1 3 376.854 3.310 10 0 GGAEHO CCOC(=O)C1([C@H](C)N[C@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921306 566465858 /nfs/dbraw/zinc/46/58/58/566465858.db2.gz PNGLKEGJWOFYDA-FZMZJTMJSA-N 1 3 387.307 3.338 10 0 GGAEHO COC[C@@H](CCC[NH3+])N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076580 566473586 /nfs/dbraw/zinc/47/35/86/566473586.db2.gz ZHXMYHMGYLHNQQ-RTBURBONSA-N 1 3 392.341 3.471 10 0 GGAEHO COC[C@H](CCC[NH3+])N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076578 566473864 /nfs/dbraw/zinc/47/38/64/566473864.db2.gz ZHXMYHMGYLHNQQ-OALUTQOASA-N 1 3 392.341 3.471 10 0 GGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000423069749 566473912 /nfs/dbraw/zinc/47/39/12/566473912.db2.gz BSXBAALMYJRGAB-HIFRSBDPSA-N 1 3 392.341 3.113 10 0 GGAEHO COc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc(Br)c1[O-] ZINC000558493704 566480164 /nfs/dbraw/zinc/48/01/64/566480164.db2.gz TYHTYXAZNAJXTM-UHFFFAOYSA-N 1 3 389.359 3.080 10 0 GGAEHO CC(C)C[C@H](N[C@@H](C)c1cccc(Br)c1)C(=O)NCC[NH+](C)C ZINC000538546093 566520075 /nfs/dbraw/zinc/52/00/75/566520075.db2.gz NKVWBKGEXCUZHJ-YOEHRIQHSA-N 1 3 384.362 3.192 10 0 GGAEHO CC(C)C[C@H](N[C@@H](C)c1ccc(Br)s1)C(=O)NCC[NH+](C)C ZINC000538548525 566520594 /nfs/dbraw/zinc/52/05/94/566520594.db2.gz OTEINSJENXVFHX-STQMWFEESA-N 1 3 390.391 3.254 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628050650 566527453 /nfs/dbraw/zinc/52/74/53/566527453.db2.gz JEFIXBLFJBVIDY-LBPRGKRZSA-N 1 3 379.854 3.361 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628050650 566527463 /nfs/dbraw/zinc/52/74/63/566527463.db2.gz JEFIXBLFJBVIDY-LBPRGKRZSA-N 1 3 379.854 3.361 10 0 GGAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080800 566527534 /nfs/dbraw/zinc/52/75/34/566527534.db2.gz ZHVLPMSYFLCOIU-SUMWQHHRSA-N 1 3 384.337 3.191 10 0 GGAEHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449080799 566528031 /nfs/dbraw/zinc/52/80/31/566528031.db2.gz ZHVLPMSYFLCOIU-GUYCJALGSA-N 1 3 384.337 3.191 10 0 GGAEHO CN1CCN(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1(C)C ZINC000449306301 566545800 /nfs/dbraw/zinc/54/58/00/566545800.db2.gz VVJZKQPYHATWIW-MRXNPFEDSA-N 1 3 384.337 3.191 10 0 GGAEHO CN1CCN(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1(C)C ZINC000449306300 566546208 /nfs/dbraw/zinc/54/62/08/566546208.db2.gz VVJZKQPYHATWIW-INIZCTEOSA-N 1 3 384.337 3.191 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708561 566619807 /nfs/dbraw/zinc/61/98/07/566619807.db2.gz TZJUHBAEWKMBNP-BMFZPTHFSA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708561 566619812 /nfs/dbraw/zinc/61/98/12/566619812.db2.gz TZJUHBAEWKMBNP-BMFZPTHFSA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708561 566619817 /nfs/dbraw/zinc/61/98/17/566619817.db2.gz TZJUHBAEWKMBNP-BMFZPTHFSA-N 1 3 383.330 3.429 10 0 GGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057904 567051488 /nfs/dbraw/zinc/05/14/88/567051488.db2.gz FZPIWMSRVFLZTL-NEPJUHHUSA-N 1 3 376.257 3.423 10 0 GGAEHO Fc1cncc(Br)c1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000657425169 567057105 /nfs/dbraw/zinc/05/71/05/567057105.db2.gz DQFGQLVUTVIIRX-UHFFFAOYSA-N 1 3 379.277 3.384 10 0 GGAEHO Oc1ccc(Br)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657534552 567066758 /nfs/dbraw/zinc/06/67/58/567066758.db2.gz AZSPJMNEIFMCBG-UHFFFAOYSA-N 1 3 383.330 3.135 10 0 GGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594595 567074485 /nfs/dbraw/zinc/07/44/85/567074485.db2.gz CAEUHIXVUKBQQG-KRWDZBQOSA-N 1 3 393.300 3.445 10 0 GGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594595 567074493 /nfs/dbraw/zinc/07/44/93/567074493.db2.gz CAEUHIXVUKBQQG-KRWDZBQOSA-N 1 3 393.300 3.445 10 0 GGAEHO C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Br)s1 ZINC000617505534 567316575 /nfs/dbraw/zinc/31/65/75/567316575.db2.gz GRQYRWMPKCZWQU-STQMWFEESA-N 1 3 390.391 3.002 10 0 GGAEHO C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Br)s1 ZINC000617505534 567316582 /nfs/dbraw/zinc/31/65/82/567316582.db2.gz GRQYRWMPKCZWQU-STQMWFEESA-N 1 3 390.391 3.002 10 0 GGAEHO O[C@H]1CCN(C2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000662159409 567414670 /nfs/dbraw/zinc/41/46/70/567414670.db2.gz ZUFTUGJKPURYOO-UJXFUWLCSA-N 1 3 379.342 3.383 10 0 GGAEHO O[C@@H]1CCN(C2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000662159410 567414878 /nfs/dbraw/zinc/41/48/78/567414878.db2.gz ZUFTUGJKPURYOO-VUQTYRPGSA-N 1 3 379.342 3.383 10 0 GGAEHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000662258904 567421810 /nfs/dbraw/zinc/42/18/10/567421810.db2.gz XXIYKWCYTAVHLB-DZGCQCFKSA-N 1 3 383.355 3.439 10 0 GGAEHO C[NH+](C)C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(Cl)c(Cl)c1 ZINC000529387952 567511484 /nfs/dbraw/zinc/51/14/84/567511484.db2.gz QWFFPQKMRQUQGK-VBQJREDUSA-N 1 3 385.339 3.132 10 0 GGAEHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@@H](N)C(C)C)CC1 ZINC000663502420 567512164 /nfs/dbraw/zinc/51/21/64/567512164.db2.gz ISCVGEAUGCDQAJ-GOSISDBHSA-N 1 3 396.373 3.325 10 0 GGAEHO Cc1cc(Br)ccc1C(=O)N1CCC(NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000663502420 567512170 /nfs/dbraw/zinc/51/21/70/567512170.db2.gz ISCVGEAUGCDQAJ-GOSISDBHSA-N 1 3 396.373 3.325 10 0 GGAEHO Ic1ccc(CCNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000595096133 567542431 /nfs/dbraw/zinc/54/24/31/567542431.db2.gz WHLRKINMBOLIKK-UHFFFAOYSA-N 1 3 384.305 3.298 10 0 GGAEHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2ccccc2Br)CC1 ZINC000665285251 567615360 /nfs/dbraw/zinc/61/53/60/567615360.db2.gz HRCQCKLKLKMBOG-AWEZNQCLSA-N 1 3 382.346 3.090 10 0 GGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(I)cc1 ZINC000596651976 567646662 /nfs/dbraw/zinc/64/66/62/567646662.db2.gz DQFWMEJOXCEDGV-GFCCVEGCSA-N 1 3 395.288 3.347 10 0 GGAEHO Clc1ccc(I)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000596651941 567646908 /nfs/dbraw/zinc/64/69/08/567646908.db2.gz SHZROLKTQZDUOB-COPLHBTASA-N 1 3 390.696 3.422 10 0 GGAEHO Cc1ccc(Br)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666468462 567679669 /nfs/dbraw/zinc/67/96/69/567679669.db2.gz VKWGZTFSQAJIJN-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1ccc(Br)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666468462 567679676 /nfs/dbraw/zinc/67/96/76/567679676.db2.gz VKWGZTFSQAJIJN-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1F ZINC000666469757 567680838 /nfs/dbraw/zinc/68/08/38/567680838.db2.gz LWXLAENWJYGKRD-NSHDSACASA-N 1 3 376.879 3.320 10 0 GGAEHO Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1F ZINC000666469757 567680845 /nfs/dbraw/zinc/68/08/45/567680845.db2.gz LWXLAENWJYGKRD-NSHDSACASA-N 1 3 376.879 3.320 10 0 GGAEHO Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Br ZINC000666731662 567701212 /nfs/dbraw/zinc/70/12/12/567701212.db2.gz BBRLYPOFTWNHGE-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Br ZINC000666731662 567701216 /nfs/dbraw/zinc/70/12/16/567701216.db2.gz BBRLYPOFTWNHGE-AWEZNQCLSA-N 1 3 385.350 3.151 10 0 GGAEHO CN1CCN(CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1(C)C ZINC000442880319 567713525 /nfs/dbraw/zinc/71/35/25/567713525.db2.gz YGVLYCXSXHKBCH-KRWDZBQOSA-N 1 3 396.373 3.278 10 0 GGAEHO CCOCCOc1ccc(Br)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952082 567713783 /nfs/dbraw/zinc/71/37/83/567713783.db2.gz FJZKFWHPXZPPPO-KRWDZBQOSA-N 1 3 383.330 3.096 10 0 GGAEHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000623491183 567714682 /nfs/dbraw/zinc/71/46/82/567714682.db2.gz IKLNNPNDIBPDRD-HNNXBMFYSA-N 1 3 379.346 3.410 10 0 GGAEHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623491183 567714687 /nfs/dbraw/zinc/71/46/87/567714687.db2.gz IKLNNPNDIBPDRD-HNNXBMFYSA-N 1 3 379.346 3.410 10 0 GGAEHO C[N@@H+]1CC[C@@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541804 567720305 /nfs/dbraw/zinc/72/03/05/567720305.db2.gz YQKDOESWHFJELP-XJKSGUPXSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541804 567720308 /nfs/dbraw/zinc/72/03/08/567720308.db2.gz YQKDOESWHFJELP-XJKSGUPXSA-N 1 3 387.337 3.202 10 0 GGAEHO Cc1nc(C(=O)NCCC2CC[NH+](C(C)C)CC2)c(C)n1C1CCN(C)CC1 ZINC000065257319 570755953 /nfs/dbraw/zinc/75/59/53/570755953.db2.gz CKTMQKKYLHBAHG-UHFFFAOYSA-N 1 3 389.588 3.007 10 0 GGAEHO O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128972 570817954 /nfs/dbraw/zinc/81/79/54/570817954.db2.gz PJLIDUBDOBUTCT-UHFFFAOYSA-N 1 3 378.520 3.079 10 0 GGAEHO COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000066877009 1408939469 /nfs/dbraw/zinc/93/94/69/1408939469.db2.gz HAOQFJHCZBNNHN-UHFFFAOYSA-N 1 3 376.504 3.285 10 0 GGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120759 1409013373 /nfs/dbraw/zinc/01/33/73/1409013373.db2.gz HLJWWXUGGCPELQ-GOSISDBHSA-N 1 3 381.520 3.215 10 0 GGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120759 1409013375 /nfs/dbraw/zinc/01/33/75/1409013375.db2.gz HLJWWXUGGCPELQ-GOSISDBHSA-N 1 3 381.520 3.215 10 0 GGAEHO Cc1nccn1-c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000121178108 1414034559 /nfs/dbraw/zinc/03/45/59/1414034559.db2.gz GMNRPTFUSHCNPD-UHFFFAOYSA-N 1 3 391.519 3.340 10 0 GGAEHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136592050 1417330743 /nfs/dbraw/zinc/33/07/43/1417330743.db2.gz HYZDGEDBUMTMAM-RTBURBONSA-N 1 3 386.458 3.485 10 0 GGAEHO C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183735501 1430783834 /nfs/dbraw/zinc/78/38/34/1430783834.db2.gz CLHGYYFOPMPLQR-QGZVFWFLSA-N 1 3 383.492 3.434 10 0 GGAEHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769935 1433514787 /nfs/dbraw/zinc/51/47/87/1433514787.db2.gz XAZYJTRDOALTOW-NUNAXRQHSA-N 1 3 377.532 3.478 10 0 GGAEHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769935 1433514798 /nfs/dbraw/zinc/51/47/98/1433514798.db2.gz XAZYJTRDOALTOW-NUNAXRQHSA-N 1 3 377.532 3.478 10 0 GGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826247 1433824268 /nfs/dbraw/zinc/82/42/68/1433824268.db2.gz GHXHKCMTTOAAMO-MYGLTJDJSA-N 1 3 377.536 3.231 10 0 GGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826247 1433824270 /nfs/dbraw/zinc/82/42/70/1433824270.db2.gz GHXHKCMTTOAAMO-MYGLTJDJSA-N 1 3 377.536 3.231 10 0 GGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826241 1433824332 /nfs/dbraw/zinc/82/43/32/1433824332.db2.gz GHXHKCMTTOAAMO-KJJMTIBFSA-N 1 3 377.536 3.231 10 0 GGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826241 1433824333 /nfs/dbraw/zinc/82/43/33/1433824333.db2.gz GHXHKCMTTOAAMO-KJJMTIBFSA-N 1 3 377.536 3.231 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2cccc(C)c2)CC1 ZINC000466895775 1126093712 /nfs/dbraw/zinc/09/37/12/1126093712.db2.gz LMFTYNMKPZWFDG-QHCPKHFHSA-N 1 3 381.564 3.220 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccccc2C)CC1 ZINC000466905652 1126094011 /nfs/dbraw/zinc/09/40/11/1126094011.db2.gz UMTKVDDHRIVIHX-HSZRJFAPSA-N 1 3 381.564 3.220 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)Cc2ccccc2C)CC1 ZINC000466905653 1126094027 /nfs/dbraw/zinc/09/40/27/1126094027.db2.gz UMTKVDDHRIVIHX-QHCPKHFHSA-N 1 3 381.564 3.220 10 0 GGAEHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015065948 210148560 /nfs/dbraw/zinc/14/85/60/210148560.db2.gz NGTZEPLJRSPYTO-UHFFFAOYSA-N 1 3 385.474 3.375 10 0 GGAEHO COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000014953970 210133999 /nfs/dbraw/zinc/13/39/99/210133999.db2.gz XWSFXYWUAIINEU-OAQYLSRUSA-N 1 3 384.520 3.129 10 0 GGAEHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452458 211243028 /nfs/dbraw/zinc/24/30/28/211243028.db2.gz BXXRRMJKRKGQLS-PMACEKPBSA-N 1 3 389.584 3.323 10 0 GGAEHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452458 211243031 /nfs/dbraw/zinc/24/30/31/211243031.db2.gz BXXRRMJKRKGQLS-PMACEKPBSA-N 1 3 389.584 3.323 10 0 GGAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057906 567050547 /nfs/dbraw/zinc/05/05/47/567050547.db2.gz FZPIWMSRVFLZTL-RYUDHWBXSA-N 1 3 376.257 3.423 10 0 GGAEHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178032929 565891377 /nfs/dbraw/zinc/89/13/77/565891377.db2.gz DZWVWQSMUICMJD-YJBOKZPZSA-N 1 3 396.373 3.278 10 0 GGAEHO C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178288897 565910557 /nfs/dbraw/zinc/91/05/57/565910557.db2.gz YQSXCAYYISYAQM-GOSISDBHSA-N 1 3 396.373 3.278 10 0 GGAEHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000414697285 565956863 /nfs/dbraw/zinc/95/68/63/565956863.db2.gz CAMBVXQAJAVWOX-HNNXBMFYSA-N 1 3 381.973 3.094 10 0 GGAEHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000414982142 565968069 /nfs/dbraw/zinc/96/80/69/565968069.db2.gz YMKXWLTXWIJASK-HNNXBMFYSA-N 1 3 388.293 3.038 10 0 GGAEHO CC1(C)C[NH2+]CC[C@@H]1NCCCOc1cccc(I)c1 ZINC000414982142 565968072 /nfs/dbraw/zinc/96/80/72/565968072.db2.gz YMKXWLTXWIJASK-HNNXBMFYSA-N 1 3 388.293 3.038 10 0 GGAEHO Brc1ccc(N2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246733435 566037836 /nfs/dbraw/zinc/03/78/36/566037836.db2.gz NZPTXHHXXSSNBG-HHXXYDBFSA-N 1 3 378.358 3.492 10 0 GGAEHO Brc1ccc(N2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246733435 566037839 /nfs/dbraw/zinc/03/78/39/566037839.db2.gz NZPTXHHXXSSNBG-HHXXYDBFSA-N 1 3 378.358 3.492 10 0 GGAEHO Brc1ccc(N2CC[C@H](C[NH2+][C@H]3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000246733435 566037846 /nfs/dbraw/zinc/03/78/46/566037846.db2.gz NZPTXHHXXSSNBG-HHXXYDBFSA-N 1 3 378.358 3.492 10 0 GGAEHO Cc1c([C@@H](C)NCCCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481961465 566269093 /nfs/dbraw/zinc/26/90/93/566269093.db2.gz NYFQJEFLVXJIAO-CYBMUJFWSA-N 1 3 380.334 3.331 10 0 GGAEHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000482884523 566341438 /nfs/dbraw/zinc/34/14/38/566341438.db2.gz FIHVPJRUCOSRJG-GOSISDBHSA-N 1 3 396.373 3.433 10 0 GGAEHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000422877405 566465829 /nfs/dbraw/zinc/46/58/29/566465829.db2.gz RINHGHVXOCMFSC-ZLDLUXBVSA-N 1 3 376.854 3.310 10 0 GGAEHO COC[C@@H](CCC[NH3+])N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000423076577 566472936 /nfs/dbraw/zinc/47/29/36/566472936.db2.gz ZHXMYHMGYLHNQQ-MOPGFXCFSA-N 1 3 392.341 3.471 10 0 GGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000423069906 566473875 /nfs/dbraw/zinc/47/38/75/566473875.db2.gz BSXBAALMYJRGAB-UKRRQHHQSA-N 1 3 392.341 3.113 10 0 GGAEHO C[NH+](C)C1CCN(CCN[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449223454 566538650 /nfs/dbraw/zinc/53/86/50/566538650.db2.gz JYXZIFCXRGKRRY-KRWDZBQOSA-N 1 3 384.337 3.191 10 0 GGAEHO CC(C)C[C@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)NCC[NH+](C)C ZINC000539644668 566595000 /nfs/dbraw/zinc/59/50/00/566595000.db2.gz CENYFQSCMQRMIH-YOEHRIQHSA-N 1 3 384.362 3.192 10 0 GGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2cccc(Br)c2)C1 ZINC000652364142 566604935 /nfs/dbraw/zinc/60/49/35/566604935.db2.gz ZLIWHSJKHZQOTR-NJAFHUGGSA-N 1 3 383.330 3.189 10 0 GGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2cccc(Br)c2)C1 ZINC000652364140 566604997 /nfs/dbraw/zinc/60/49/97/566604997.db2.gz ZLIWHSJKHZQOTR-BPQIPLTHSA-N 1 3 383.330 3.189 10 0 GGAEHO CC[NH+]1CCC(CCNCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000560260700 566612427 /nfs/dbraw/zinc/61/24/27/566612427.db2.gz XSQCIFFNCQTTOM-UHFFFAOYSA-N 1 3 383.330 3.447 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708563 566619274 /nfs/dbraw/zinc/61/92/74/566619274.db2.gz TZJUHBAEWKMBNP-IMJJTQAJSA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708563 566619281 /nfs/dbraw/zinc/61/92/81/566619281.db2.gz TZJUHBAEWKMBNP-IMJJTQAJSA-N 1 3 383.330 3.429 10 0 GGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708563 566619286 /nfs/dbraw/zinc/61/92/86/566619286.db2.gz TZJUHBAEWKMBNP-IMJJTQAJSA-N 1 3 383.330 3.429 10 0 GGAEHO FC(F)Oc1c(Br)cccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580194643 566672544 /nfs/dbraw/zinc/67/25/44/566672544.db2.gz ZDLAPNYGQDOZPH-TXEJJXNPSA-N 1 3 375.257 3.482 10 0 GGAEHO CN1CCC(O)(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000676904800 566716010 /nfs/dbraw/zinc/71/60/10/566716010.db2.gz VPGXGWWWHHYEKB-UHFFFAOYSA-N 1 3 396.354 3.119 10 0 GGAEHO Cc1c([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Br)c1 ZINC000655805653 566851508 /nfs/dbraw/zinc/85/15/08/566851508.db2.gz JUAZXDCVGQELBQ-MRRJBJDNSA-N 1 3 392.345 3.329 10 0 GGAEHO CC(C)C[C@H](N[C@H](C)c1cc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000494649684 567015182 /nfs/dbraw/zinc/01/51/82/567015182.db2.gz RGAYGQOCIDPNSX-OCCSQVGLSA-N 1 3 390.391 3.254 10 0 GGAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057905 567051184 /nfs/dbraw/zinc/05/11/84/567051184.db2.gz FZPIWMSRVFLZTL-NWDGAFQWSA-N 1 3 376.257 3.423 10 0 GGAEHO CN1CCC(CNCc2c(F)cncc2Br)([NH+]2CCCCC2)CC1 ZINC000657378411 567051572 /nfs/dbraw/zinc/05/15/72/567051572.db2.gz VJAJERBHECVTCV-UHFFFAOYSA-N 1 3 399.352 3.023 10 0 GGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Br)s3)cc2)C1 ZINC000657596102 567074069 /nfs/dbraw/zinc/07/40/69/567074069.db2.gz UWGPAJWAPBKEQA-HNNXBMFYSA-N 1 3 381.339 3.367 10 0 GGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Br)s3)cc2)C1 ZINC000657596102 567074076 /nfs/dbraw/zinc/07/40/76/567074076.db2.gz UWGPAJWAPBKEQA-HNNXBMFYSA-N 1 3 381.339 3.367 10 0 GGAEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000658070470 567119038 /nfs/dbraw/zinc/11/90/38/567119038.db2.gz PDMHTWYMQNSGMZ-AWEZNQCLSA-N 1 3 382.346 3.386 10 0 GGAEHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108914 567126253 /nfs/dbraw/zinc/12/62/53/567126253.db2.gz IWNOBJRQYMXLRZ-CABCVRRESA-N 1 3 375.340 3.443 10 0 GGAEHO CN1CC=C(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638838389 567275061 /nfs/dbraw/zinc/27/50/61/567275061.db2.gz HVKLIPRAHZADJM-MOPGFXCFSA-N 1 3 378.358 3.436 10 0 GGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000617506541 567317366 /nfs/dbraw/zinc/31/73/66/567317366.db2.gz RUHUXFZHXXTYRZ-HOTGVXAUSA-N 1 3 398.389 3.016 10 0 GGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000617506541 567317369 /nfs/dbraw/zinc/31/73/69/567317369.db2.gz RUHUXFZHXXTYRZ-HOTGVXAUSA-N 1 3 398.389 3.016 10 0 GGAEHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000662258906 567422069 /nfs/dbraw/zinc/42/20/69/567422069.db2.gz XXIYKWCYTAVHLB-UKRRQHHQSA-N 1 3 383.355 3.439 10 0 GGAEHO [NH3+]C/C=C/CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000641865366 567459195 /nfs/dbraw/zinc/45/91/95/567459195.db2.gz UMGUZMUNCTUXFH-OWOJBTEDSA-N 1 3 385.339 3.116 10 0 GGAEHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2sccc2Br)CC1 ZINC000665285736 567615562 /nfs/dbraw/zinc/61/55/62/567615562.db2.gz VIYUWWSBYKFUFG-GFCCVEGCSA-N 1 3 388.375 3.152 10 0 GGAEHO Ic1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596655313 567647216 /nfs/dbraw/zinc/64/72/16/567647216.db2.gz UUWAGKBAJMDVPS-GVDBMIGSSA-N 1 3 384.305 3.344 10 0 GGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@@H]21 ZINC000572655315 567656332 /nfs/dbraw/zinc/65/63/32/567656332.db2.gz YVNYTDMDTXBQCY-FZCLSBEQSA-N 1 3 378.358 3.490 10 0 GGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@@H]21 ZINC000572655315 567656337 /nfs/dbraw/zinc/65/63/37/567656337.db2.gz YVNYTDMDTXBQCY-FZCLSBEQSA-N 1 3 378.358 3.490 10 0 GGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@H]21 ZINC000572655318 567656703 /nfs/dbraw/zinc/65/67/03/567656703.db2.gz YVNYTDMDTXBQCY-MXSMSXNCSA-N 1 3 378.358 3.490 10 0 GGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@H]21 ZINC000572655318 567656707 /nfs/dbraw/zinc/65/67/07/567656707.db2.gz YVNYTDMDTXBQCY-MXSMSXNCSA-N 1 3 378.358 3.490 10 0 GGAEHO O=C(C[C@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000646254004 567702639 /nfs/dbraw/zinc/70/26/39/567702639.db2.gz INWOZKJBLQAIOZ-OAHLLOKOSA-N 1 3 384.351 3.417 10 0 GGAEHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412880 567708783 /nfs/dbraw/zinc/70/87/83/567708783.db2.gz BBOWOFOAXQBJQV-INIZCTEOSA-N 1 3 396.373 3.260 10 0 GGAEHO CN(Cc1ccccc1Br)C(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412880 567708787 /nfs/dbraw/zinc/70/87/87/567708787.db2.gz BBOWOFOAXQBJQV-INIZCTEOSA-N 1 3 396.373 3.260 10 0 GGAEHO Cc1ccc(C[C@@H](CO)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541629 567720049 /nfs/dbraw/zinc/72/00/49/567720049.db2.gz RCLGUWASVPMXIN-IAGOWNOFSA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1ccc(C[C@@H](CO)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541629 567720056 /nfs/dbraw/zinc/72/00/56/567720056.db2.gz RCLGUWASVPMXIN-IAGOWNOFSA-N 1 3 383.374 3.371 10 0 GGAEHO COc1ccc(Br)cc1C[C@@H](CO)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542228 567720191 /nfs/dbraw/zinc/72/01/91/567720191.db2.gz SCSNILHNECWLNA-RHSMWYFYSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(Br)cc1C[C@@H](CO)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542228 567720194 /nfs/dbraw/zinc/72/01/94/567720194.db2.gz SCSNILHNECWLNA-RHSMWYFYSA-N 1 3 399.373 3.071 10 0 GGAEHO C[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542338 567720392 /nfs/dbraw/zinc/72/03/92/567720392.db2.gz WKHYSAZGQSOVJL-GJZGRUSLSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@H](NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542338 567720397 /nfs/dbraw/zinc/72/03/97/567720397.db2.gz WKHYSAZGQSOVJL-GJZGRUSLSA-N 1 3 387.337 3.202 10 0 GGAEHO Cc1ccc(C[C@@H](CO)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541631 567720956 /nfs/dbraw/zinc/72/09/56/567720956.db2.gz RCLGUWASVPMXIN-SJORKVTESA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1ccc(C[C@@H](CO)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541631 567720959 /nfs/dbraw/zinc/72/09/59/567720959.db2.gz RCLGUWASVPMXIN-SJORKVTESA-N 1 3 383.374 3.371 10 0 GGAEHO Cc1ccc(Br)cc1[C@@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000623891112 567745362 /nfs/dbraw/zinc/74/53/62/567745362.db2.gz DSDNQVZYECVIFD-OAHLLOKOSA-N 1 3 396.373 3.351 10 0 GGAEHO Cc1ccc(Br)cc1[C@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000623891111 567745410 /nfs/dbraw/zinc/74/54/10/567745410.db2.gz DSDNQVZYECVIFD-HNNXBMFYSA-N 1 3 396.373 3.351 10 0 GGAEHO CN1CCC([N@@H+]2CCN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104400553 570257700 /nfs/dbraw/zinc/25/77/00/570257700.db2.gz QUNSGWRZDUBGKM-RUZDIDTESA-N 1 3 393.575 3.316 10 0 GGAEHO CN1CCC([N@H+]2CCN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104400553 570257702 /nfs/dbraw/zinc/25/77/02/570257702.db2.gz QUNSGWRZDUBGKM-RUZDIDTESA-N 1 3 393.575 3.316 10 0 GGAEHO COCC[NH+]1CCC(CN(Cc2cccc(C(C)=O)c2)C[C@@H]2CCCO2)CC1 ZINC000011874755 570589982 /nfs/dbraw/zinc/58/99/82/570589982.db2.gz QVOYSPXYZAWJMQ-QHCPKHFHSA-N 1 3 388.552 3.229 10 0 GGAEHO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570229 570680744 /nfs/dbraw/zinc/68/07/44/570680744.db2.gz AESSXTZRMJWKSO-HSZRJFAPSA-N 1 3 382.552 3.423 10 0 GGAEHO COCC[N@H+]1CCC[C@@]2(CCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570229 570680746 /nfs/dbraw/zinc/68/07/46/570680746.db2.gz AESSXTZRMJWKSO-HSZRJFAPSA-N 1 3 382.552 3.423 10 0 GGAEHO CC[NH+]1CCN(Cc2ccc(CNCc3c(Cl)nc4ccccn43)cc2)CC1 ZINC000054468193 1406743975 /nfs/dbraw/zinc/74/39/75/1406743975.db2.gz HYRQHNRVBBGPKM-UHFFFAOYSA-N 1 3 397.954 3.415 10 0 GGAEHO COc1cccc(-c2n[nH]cc2CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000048717141 1405267184 /nfs/dbraw/zinc/26/71/84/1405267184.db2.gz FOEKJYDZGLHKMK-UHFFFAOYSA-N 1 3 380.492 3.316 10 0 GGAEHO C[NH+](C)CCOc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000092644638 1410182709 /nfs/dbraw/zinc/18/27/09/1410182709.db2.gz IMMCPKUUIYKZSS-UHFFFAOYSA-N 1 3 387.568 3.288 10 0 GGAEHO Cc1ccc(C(=O)NCCNC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000133897208 1416990420 /nfs/dbraw/zinc/99/04/20/1416990420.db2.gz DGZBGMUOAMPYIG-UHFFFAOYSA-N 1 3 383.511 3.161 10 0 GGAEHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136592014 1417330518 /nfs/dbraw/zinc/33/05/18/1417330518.db2.gz HYZDGEDBUMTMAM-OALUTQOASA-N 1 3 386.458 3.485 10 0 GGAEHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000183368713 1430692071 /nfs/dbraw/zinc/69/20/71/1430692071.db2.gz GDSVSQRCZLDLSS-DEOSSOPVSA-N 1 3 397.563 3.099 10 0 GGAEHO CC(C)[NH+]1CCN(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000191393697 1432651042 /nfs/dbraw/zinc/65/10/42/1432651042.db2.gz FNEUVYXGWZCBBE-UHFFFAOYSA-N 1 3 398.517 3.244 10 0 GGAEHO c1ccc(CN2CCC([NH2+]CCN3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000236705510 1433376530 /nfs/dbraw/zinc/37/65/30/1433376530.db2.gz JOCWFLAGMOOHEV-UHFFFAOYSA-N 1 3 392.591 3.058 10 0 GGAEHO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000237113112 1433389542 /nfs/dbraw/zinc/38/95/42/1433389542.db2.gz FQXXRKRKPGQJJD-RBUKOAKNSA-N 1 3 378.580 3.424 10 0 GGAEHO CC(=O)Nc1cccc(OCCNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000271411577 1434822854 /nfs/dbraw/zinc/82/28/54/1434822854.db2.gz AGBOHUQMLNCBEQ-UHFFFAOYSA-N 1 3 381.520 3.321 10 0 GGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000480500291 1126094897 /nfs/dbraw/zinc/09/48/97/1126094897.db2.gz QMAZNUNFDVAHBH-JOCHJYFZSA-N 1 3 385.527 3.051 10 0 GGAEHO O[C@@H](COc1ccc(C[NH2+]CCc2ccccc2F)cc1)CN1CCCCC1 ZINC000011773276 221125288 /nfs/dbraw/zinc/12/52/88/221125288.db2.gz UEPUESIGVKPOIH-OAQYLSRUSA-N 1 3 386.511 3.384 10 0 GGAEHO COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@H](O)CN1CCCC1 ZINC000011842963 221131878 /nfs/dbraw/zinc/13/18/78/221131878.db2.gz IBUSBMUYBVFMEW-HXUWFJFHSA-N 1 3 376.541 3.201 10 0 GGAEHO COCC[NH+]1CCC(CN(Cc2cccc(C(C)=O)c2)C[C@H]2CCCO2)CC1 ZINC000011874756 221135186 /nfs/dbraw/zinc/13/51/86/221135186.db2.gz QVOYSPXYZAWJMQ-HSZRJFAPSA-N 1 3 388.552 3.229 10 0 GGAEHO COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000012459335 221198627 /nfs/dbraw/zinc/19/86/27/221198627.db2.gz JCPZGBWLSBJIBH-QFIPXVFZSA-N 1 3 398.547 3.171 10 0 GGAEHO C[NH+]1CCC(CN[C@@H](c2ccc(Br)cc2)c2cncnc2)CC1 ZINC000186175881 565244805 /nfs/dbraw/zinc/24/48/05/565244805.db2.gz IBSKIGSHZFYIPE-SFHVURJKSA-N 1 3 375.314 3.260 10 0 GGAEHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178002766 565889414 /nfs/dbraw/zinc/88/94/14/565889414.db2.gz QMVFXOAWBGMTDO-SFHVURJKSA-N 1 3 396.373 3.280 10 0 GGAEHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000414206652 565903051 /nfs/dbraw/zinc/90/30/51/565903051.db2.gz YPALLORJGUBPND-HNNXBMFYSA-N 1 3 386.367 3.441 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383549 566275779 /nfs/dbraw/zinc/27/57/79/566275779.db2.gz DJVRCQFSRGPOPF-RHSMWYFYSA-N 1 3 380.330 3.242 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383551 566276351 /nfs/dbraw/zinc/27/63/51/566276351.db2.gz DJVRCQFSRGPOPF-WMLDXEAASA-N 1 3 380.330 3.242 10 0 GGAEHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397669 566277066 /nfs/dbraw/zinc/27/70/66/566277066.db2.gz MTZHEUDJBWUPTD-RHSMWYFYSA-N 1 3 380.330 3.242 10 0 GGAEHO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576346742 566338886 /nfs/dbraw/zinc/33/88/86/566338886.db2.gz OEQXCGVQDWPJJI-IYBDPMFKSA-N 1 3 389.341 3.375 10 0 GGAEHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000482884524 566340546 /nfs/dbraw/zinc/34/05/46/566340546.db2.gz FIHVPJRUCOSRJG-SFHVURJKSA-N 1 3 396.373 3.433 10 0 GGAEHO CCOC(=O)C1([C@H](C)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000422921390 566465721 /nfs/dbraw/zinc/46/57/21/566465721.db2.gz PNGLKEGJWOFYDA-SMDDNHRTSA-N 1 3 387.307 3.338 10 0 GGAEHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449218285 566537202 /nfs/dbraw/zinc/53/72/02/566537202.db2.gz GZDDPDPNIZCESJ-QGZVFWFLSA-N 1 3 384.337 3.193 10 0 GGAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671256 566590828 /nfs/dbraw/zinc/59/08/28/566590828.db2.gz URECXGPXJLJDEQ-CYBMUJFWSA-N 1 3 388.343 3.268 10 0 GGAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671256 566590836 /nfs/dbraw/zinc/59/08/36/566590836.db2.gz URECXGPXJLJDEQ-CYBMUJFWSA-N 1 3 388.343 3.268 10 0 GGAEHO CCOCCOc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579354350 566602619 /nfs/dbraw/zinc/60/26/19/566602619.db2.gz VLQCCVNVGHHPIK-IYBDPMFKSA-N 1 3 397.357 3.296 10 0 GGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2cccc(Br)c2)C1 ZINC000652364143 566605424 /nfs/dbraw/zinc/60/54/24/566605424.db2.gz ZLIWHSJKHZQOTR-NXHRZFHOSA-N 1 3 383.330 3.189 10 0 GGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2cccc(Br)c2)C1 ZINC000652364141 566605782 /nfs/dbraw/zinc/60/57/82/566605782.db2.gz ZLIWHSJKHZQOTR-KBAYOESNSA-N 1 3 383.330 3.189 10 0 GGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000513713694 566619450 /nfs/dbraw/zinc/61/94/50/566619450.db2.gz RWONHAOKMPEPNJ-BPUTZDHNSA-N 1 3 381.314 3.183 10 0 GGAEHO CC(C)c1nn(-c2ccc(Br)cc2)cc1CNCCOCCC[NH3+] ZINC000629680413 566678934 /nfs/dbraw/zinc/67/89/34/566678934.db2.gz PQWBLCBFMLASAX-UHFFFAOYSA-N 1 3 395.345 3.213 10 0 GGAEHO Brc1ccc(-c2nccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000517030053 566800915 /nfs/dbraw/zinc/80/09/15/566800915.db2.gz INMMIEITPISBEG-IYBDPMFKSA-N 1 3 387.325 3.338 10 0 GGAEHO FC(F)Oc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000563624547 566901745 /nfs/dbraw/zinc/90/17/45/566901745.db2.gz MQODRWAYBSZJAV-BETUJISGSA-N 1 3 375.257 3.482 10 0 GGAEHO COc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000657537818 567067734 /nfs/dbraw/zinc/06/77/34/567067734.db2.gz UHSHYERUJDVFBF-UHFFFAOYSA-N 1 3 397.357 3.438 10 0 GGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(Br)c3)cc2)C1 ZINC000657593345 567074457 /nfs/dbraw/zinc/07/44/57/567074457.db2.gz GBOOFHLIIQENHL-IBGZPJMESA-N 1 3 375.310 3.306 10 0 GGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(Br)c3)cc2)C1 ZINC000657593345 567074463 /nfs/dbraw/zinc/07/44/63/567074463.db2.gz GBOOFHLIIQENHL-IBGZPJMESA-N 1 3 375.310 3.306 10 0 GGAEHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000658070471 567118924 /nfs/dbraw/zinc/11/89/24/567118924.db2.gz PDMHTWYMQNSGMZ-CQSZACIVSA-N 1 3 382.346 3.386 10 0 GGAEHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108915 567125560 /nfs/dbraw/zinc/12/55/60/567125560.db2.gz IWNOBJRQYMXLRZ-GJZGRUSLSA-N 1 3 375.340 3.443 10 0 GGAEHO CN1CC=C(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638838392 567274375 /nfs/dbraw/zinc/27/43/75/567274375.db2.gz HVKLIPRAHZADJM-RTBURBONSA-N 1 3 378.358 3.436 10 0 GGAEHO CC[C@H]1CN(CCCOc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592427602 567338005 /nfs/dbraw/zinc/33/80/05/567338005.db2.gz HAJIJCRIPVPUOU-BBRMVZONSA-N 1 3 388.293 3.119 10 0 GGAEHO CN1CCC(CNCc2ncc(Br)cc2F)([NH+]2CCCCC2)CC1 ZINC000527668736 567358126 /nfs/dbraw/zinc/35/81/26/567358126.db2.gz UALWGQOTHIYJRW-UHFFFAOYSA-N 1 3 399.352 3.023 10 0 GGAEHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2sccc2Br)CC1 ZINC000665285737 567615628 /nfs/dbraw/zinc/61/56/28/567615628.db2.gz VIYUWWSBYKFUFG-LBPRGKRZSA-N 1 3 388.375 3.152 10 0 GGAEHO Ic1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000596655312 567646691 /nfs/dbraw/zinc/64/66/91/567646691.db2.gz UUWAGKBAJMDVPS-BRWVUGGUSA-N 1 3 384.305 3.344 10 0 GGAEHO Ic1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000596655314 567646967 /nfs/dbraw/zinc/64/69/67/567646967.db2.gz UUWAGKBAJMDVPS-ZACQAIPSSA-N 1 3 384.305 3.344 10 0 GGAEHO C[N@@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541802 567720439 /nfs/dbraw/zinc/72/04/39/567720439.db2.gz YQKDOESWHFJELP-CJNGLKHVSA-N 1 3 387.337 3.202 10 0 GGAEHO C[N@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541802 567720445 /nfs/dbraw/zinc/72/04/45/567720445.db2.gz YQKDOESWHFJELP-CJNGLKHVSA-N 1 3 387.337 3.202 10 0 GGAEHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541406 567720875 /nfs/dbraw/zinc/72/08/75/567720875.db2.gz HYXJNBMQWVENKH-HOTGVXAUSA-N 1 3 399.373 3.071 10 0 GGAEHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541406 567720878 /nfs/dbraw/zinc/72/08/78/567720878.db2.gz HYXJNBMQWVENKH-HOTGVXAUSA-N 1 3 399.373 3.071 10 0 GGAEHO Cc1cc(CNCC2CC[NH+](C3CCOCC3)CC2)ncc1Br ZINC000623562602 567722006 /nfs/dbraw/zinc/72/20/06/567722006.db2.gz WOVRQNZENZGKOO-UHFFFAOYSA-N 1 3 382.346 3.133 10 0 GGAEHO CC[NH+]1CCC(N[C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000461883642 567750708 /nfs/dbraw/zinc/75/07/08/567750708.db2.gz OEYAZPNCBIRVCG-AWEZNQCLSA-N 1 3 376.854 3.406 10 0 GGAEHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000032779414 570807747 /nfs/dbraw/zinc/80/77/47/570807747.db2.gz PDSAYRGGCMGBTH-JOCHJYFZSA-N 1 3 380.536 3.253 10 0 GGAEHO CC(C)[NH+]1CCC(N(CCN(C)C)C(=S)Nc2cc(F)cc(F)c2)CC1 ZINC000004712059 570857988 /nfs/dbraw/zinc/85/79/88/570857988.db2.gz UBCAJDFOOQGUEM-UHFFFAOYSA-N 1 3 384.540 3.398 10 0 GGAEHO CN(C)CCNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547710 571029935 /nfs/dbraw/zinc/02/99/35/571029935.db2.gz VGSJACATIJMKMR-UHFFFAOYSA-N 1 3 379.548 3.433 10 0 GGAEHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc(Cl)c1OC ZINC000051189738 1405740683 /nfs/dbraw/zinc/74/06/83/1405740683.db2.gz AVAWBDTWKXRVFE-UHFFFAOYSA-N 1 3 381.948 3.005 10 0 GGAEHO COc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1Br ZINC000051189749 1405740977 /nfs/dbraw/zinc/74/09/77/1405740977.db2.gz HOUYYNSBCIGUHT-UHFFFAOYSA-N 1 3 396.373 3.106 10 0 GGAEHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121478 1409013431 /nfs/dbraw/zinc/01/34/31/1409013431.db2.gz HFUZMTXZZAMOEI-AWEZNQCLSA-N 1 3 375.891 3.305 10 0 GGAEHO C[NH+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000069673730 1409672878 /nfs/dbraw/zinc/67/28/78/1409672878.db2.gz FNNKDYPIWSQHHR-UHFFFAOYSA-N 1 3 378.476 3.199 10 0 GGAEHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000136592083 1417330595 /nfs/dbraw/zinc/33/05/95/1417330595.db2.gz HYZDGEDBUMTMAM-RBUKOAKNSA-N 1 3 386.458 3.485 10 0 GGAEHO CCOc1ccc(C[N@@H+]2CC[C@]3(CO)CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177125 1433893575 /nfs/dbraw/zinc/89/35/75/1433893575.db2.gz VWUUACLDULGDGF-LADGPHEKSA-N 1 3 380.532 3.402 10 0 GGAEHO CCOc1ccc(C[N@H+]2CC[C@]3(CO)CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177125 1433893576 /nfs/dbraw/zinc/89/35/76/1433893576.db2.gz VWUUACLDULGDGF-LADGPHEKSA-N 1 3 380.532 3.402 10 0 GGAEHO c1ccc(CN2CCc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3CC2)cc1 ZINC000257196970 1433895080 /nfs/dbraw/zinc/89/50/80/1433895080.db2.gz ZFHBGXQCSLGAQK-JOCHJYFZSA-N 1 3 387.531 3.326 10 0 GGAEHO c1ccc(CN2CCc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3CC2)cc1 ZINC000257196970 1433895081 /nfs/dbraw/zinc/89/50/81/1433895081.db2.gz ZFHBGXQCSLGAQK-JOCHJYFZSA-N 1 3 387.531 3.326 10 0 GGAEHO