smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CCCN(Cc2cc(Br)ccc2O)CC1)N1CCCC1 ZINC000129267791 532175913 /nfs/dbraw/zinc/17/59/13/532175913.db2.gz ZHOXOSRPSZKWIH-UHFFFAOYSA-N 0 3 396.329 2.285 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1[O-] ZINC000359958379 532889161 /nfs/dbraw/zinc/88/91/61/532889161.db2.gz JOBGLGSWLGWCCR-UHFFFAOYSA-N 0 3 388.917 2.491 20 10 GECDHN Cc1cc(O)c(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC000822210783 599426304 /nfs/dbraw/zinc/42/63/04/599426304.db2.gz QWHMRTFAUOEKHK-UHFFFAOYSA-N 0 3 379.468 2.343 20 10 GECDHN Cc1cc(O)c(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC000822210783 599426307 /nfs/dbraw/zinc/42/63/07/599426307.db2.gz QWHMRTFAUOEKHK-UHFFFAOYSA-N 0 3 379.468 2.343 20 10 GECDHN COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821831674 606855924 /nfs/dbraw/zinc/85/59/24/606855924.db2.gz INQRJFQKQJCNND-FQEVSTJZSA-N 0 3 394.479 2.121 20 10 GECDHN COc1ccc(N2CCC[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821831674 606855927 /nfs/dbraw/zinc/85/59/27/606855927.db2.gz INQRJFQKQJCNND-FQEVSTJZSA-N 0 3 394.479 2.121 20 10 GECDHN COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821831674 606855929 /nfs/dbraw/zinc/85/59/29/606855929.db2.gz INQRJFQKQJCNND-FQEVSTJZSA-N 0 3 394.479 2.121 20 10 GECDHN COc1ccc(N2CCC[N@@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821831674 606855930 /nfs/dbraw/zinc/85/59/30/606855930.db2.gz INQRJFQKQJCNND-FQEVSTJZSA-N 0 3 394.479 2.121 20 10 GECDHN COc1cc(Br)cc(CN2CCN(C[C@@H]3CCOC3)CC2)c1O ZINC000093817416 643081027 /nfs/dbraw/zinc/08/10/27/643081027.db2.gz YXZPKLZAJNEFPV-ZDUSSCGKSA-N 0 3 385.302 2.317 20 10 GECDHN COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])nn1 ZINC000284355789 646838373 /nfs/dbraw/zinc/83/83/73/646838373.db2.gz MSDMLXUGTPWRMT-SNVBAGLBSA-N 0 3 383.246 2.192 20 10 GECDHN C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1[O-] ZINC000756548138 652500558 /nfs/dbraw/zinc/50/05/58/652500558.db2.gz IWHMQHNMTQJYEO-CHWSQXEVSA-N 0 3 384.318 2.393 20 10 GECDHN C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1[O-] ZINC000756548140 652500782 /nfs/dbraw/zinc/50/07/82/652500782.db2.gz IWHMQHNMTQJYEO-QWHCGFSZSA-N 0 3 384.318 2.393 20 10 GECDHN COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCOC1 ZINC000770677664 653220112 /nfs/dbraw/zinc/22/01/12/653220112.db2.gz KSXDIOCHGJLANA-MRXNPFEDSA-N 0 3 388.258 2.365 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c1[O-] ZINC000866572303 653802898 /nfs/dbraw/zinc/80/28/98/653802898.db2.gz NCPYGHNIKXXXOP-SNVBAGLBSA-N 0 3 379.320 2.428 20 10 GECDHN COc1cc(Br)cc(CN2CCC[C@H]2CN2CCOCC2)c1O ZINC000092217911 531926941 /nfs/dbraw/zinc/92/69/41/531926941.db2.gz ZRMYDHKFSRSRBJ-HNNXBMFYSA-N 0 3 385.302 2.460 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000187395454 532344306 /nfs/dbraw/zinc/34/43/06/532344306.db2.gz DQJIVGRMLCRODZ-NWDGAFQWSA-N 0 3 391.331 2.395 20 10 GECDHN COc1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1[O-] ZINC000375737231 532579684 /nfs/dbraw/zinc/57/96/84/532579684.db2.gz AKDMWUKBDYQSSP-CYBMUJFWSA-N 0 3 382.507 2.263 20 10 GECDHN COc1cc(Br)cc(CN2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000367691361 532926451 /nfs/dbraw/zinc/92/64/51/532926451.db2.gz WZECRJFIFQSKTJ-IUODEOHRSA-N 0 3 385.302 2.458 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c1[O-] ZINC000371714543 532949372 /nfs/dbraw/zinc/94/93/72/532949372.db2.gz LBCIGWTZPWLIRI-CYBMUJFWSA-N 0 3 381.274 2.265 20 10 GECDHN Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234476 598619106 /nfs/dbraw/zinc/61/91/06/598619106.db2.gz LLWFIKFLJTVPEP-INIZCTEOSA-N 0 3 391.479 2.241 20 10 GECDHN CC(C)(CNC(=O)C(=O)NCCCSc1nccs1)N1CCCCC1 ZINC000774888696 653265781 /nfs/dbraw/zinc/26/57/81/653265781.db2.gz ILAQYCVPEGCFRD-UHFFFAOYSA-N 0 3 384.571 2.122 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1[O-] ZINC000793282838 653873569 /nfs/dbraw/zinc/87/35/69/653873569.db2.gz ZNXVRNBERIMWNV-UHFFFAOYSA-N 0 3 378.288 2.220 20 10 GECDHN COc1cccc(CN[C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897976855 653946683 /nfs/dbraw/zinc/94/66/83/653946683.db2.gz CWOIWTIYVBVKKR-LBPRGKRZSA-N 0 3 378.226 2.211 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000848518927 653986368 /nfs/dbraw/zinc/98/63/68/653986368.db2.gz OLMUDCPGBSAILQ-JTQLQIEISA-N 0 3 395.319 2.095 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1[O-] ZINC000848520121 653986540 /nfs/dbraw/zinc/98/65/40/653986540.db2.gz VTQGIKJAKTZTCX-SNVBAGLBSA-N 0 3 387.274 2.096 20 10 GECDHN COc1cc(Br)cc(CN2CCC[N@H+](CC(C)(C)O)CC2)c1[O-] ZINC000372640526 532398303 /nfs/dbraw/zinc/39/83/03/532398303.db2.gz PKBSIYFDXSBFIJ-UHFFFAOYSA-N 0 3 387.318 2.442 20 10 GECDHN COc1cc(Br)cc(CN2CCC[N@@H+](CC(C)(C)O)CC2)c1[O-] ZINC000372640526 532398315 /nfs/dbraw/zinc/39/83/15/532398315.db2.gz PKBSIYFDXSBFIJ-UHFFFAOYSA-N 0 3 387.318 2.442 20 10 GECDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289249992 532850726 /nfs/dbraw/zinc/85/07/26/532850726.db2.gz FCNFQYXOJGAIAI-CXAGYDPISA-N 0 3 396.285 2.416 20 10 GECDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289249992 532850729 /nfs/dbraw/zinc/85/07/29/532850729.db2.gz FCNFQYXOJGAIAI-CXAGYDPISA-N 0 3 396.285 2.416 20 10 GECDHN C[N@H+](CCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000821603999 607114671 /nfs/dbraw/zinc/11/46/71/607114671.db2.gz YTZAEWCJFZZNSI-UHFFFAOYSA-N 0 3 394.479 2.214 20 10 GECDHN C[N@@H+](CCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000821603999 607114672 /nfs/dbraw/zinc/11/46/72/607114672.db2.gz YTZAEWCJFZZNSI-UHFFFAOYSA-N 0 3 394.479 2.214 20 10 GECDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569527 608473660 /nfs/dbraw/zinc/47/36/60/608473660.db2.gz INPCMAYLEOFJKH-MGPUTAFESA-N 0 3 394.479 2.088 20 10 GECDHN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569527 608473662 /nfs/dbraw/zinc/47/36/62/608473662.db2.gz INPCMAYLEOFJKH-MGPUTAFESA-N 0 3 394.479 2.088 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1[O-] ZINC000364494753 647629738 /nfs/dbraw/zinc/62/97/38/647629738.db2.gz ZMEXRPGZUQKFDG-NSHDSACASA-N 0 3 395.305 2.306 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1[O-] ZINC000768649843 653124069 /nfs/dbraw/zinc/12/40/69/653124069.db2.gz JJTDLBIJEFRBIN-UHFFFAOYSA-N 0 3 392.315 2.468 20 10 GECDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000842783707 653767236 /nfs/dbraw/zinc/76/72/36/653767236.db2.gz BODPFMLVFKHTPG-CQSZACIVSA-N 0 3 389.308 2.433 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000883375898 653838044 /nfs/dbraw/zinc/83/80/44/653838044.db2.gz BBOYZAHDUWDUOR-LSJOCFKGSA-N 0 3 378.288 2.390 20 10 GECDHN COc1cccc(O)c1CNCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000796516428 653999843 /nfs/dbraw/zinc/99/98/43/653999843.db2.gz UGIPAPCXTSYJJT-UHFFFAOYSA-N 0 3 384.885 2.431 20 10 GECDHN CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c([O-])c1 ZINC000850351214 654072603 /nfs/dbraw/zinc/07/26/03/654072603.db2.gz LCAQFXBCSRDQNC-UHFFFAOYSA-N 0 3 394.269 2.468 20 10 GECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)nc2Br)N(C)C)cc1 ZINC000891242275 654275209 /nfs/dbraw/zinc/27/52/09/654275209.db2.gz DNLUKMNVCQFUQL-OAHLLOKOSA-N 0 3 394.317 2.281 20 10 GECDHN CCN1CCN(C[C@H](C)CNC(=O)NCCCSc2nccs2)CC1 ZINC000153974786 644012907 /nfs/dbraw/zinc/01/29/07/644012907.db2.gz IVRLKBGWNPGXST-OAHLLOKOSA-N 0 3 385.603 2.198 20 10 GECDHN COc1cc(Br)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1[O-] ZINC000174639332 644378115 /nfs/dbraw/zinc/37/81/15/644378115.db2.gz JLSRHHZUQIEPCE-UHFFFAOYSA-N 0 3 380.304 2.466 20 10 GECDHN C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1[O-] ZINC000756548141 652500626 /nfs/dbraw/zinc/50/06/26/652500626.db2.gz IWHMQHNMTQJYEO-STQMWFEESA-N 0 3 384.318 2.393 20 10 GECDHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000757918778 652525487 /nfs/dbraw/zinc/52/54/87/652525487.db2.gz FALWNBRPOLGSAO-OAHLLOKOSA-N 0 3 376.247 2.221 20 10 GECDHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000757918777 652525562 /nfs/dbraw/zinc/52/55/62/652525562.db2.gz FALWNBRPOLGSAO-HNNXBMFYSA-N 0 3 376.247 2.221 20 10 GECDHN CN1CCN(C2CCN(C(=O)NCCCSc3nccs3)CC2)CC1 ZINC000875375118 653366599 /nfs/dbraw/zinc/36/65/99/653366599.db2.gz WPEKHBSWTXTAAP-UHFFFAOYSA-N 0 3 383.587 2.047 20 10 GECDHN Nc1c(Cl)cccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000877031306 653462046 /nfs/dbraw/zinc/46/20/46/653462046.db2.gz UQPRFPHRJBFTLV-UHFFFAOYSA-N 0 3 379.913 2.447 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1[O-] ZINC000839166239 653643640 /nfs/dbraw/zinc/64/36/40/653643640.db2.gz XEOOTIJLUYLKGX-UHFFFAOYSA-N 0 3 399.329 2.434 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1[O-] ZINC000840976897 653704342 /nfs/dbraw/zinc/70/43/42/653704342.db2.gz ZAEXXUVFTDFOPW-UHFFFAOYSA-N 0 3 392.315 2.468 20 10 GECDHN [O-]c1ccc(Br)cc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000843118892 653780027 /nfs/dbraw/zinc/78/00/27/653780027.db2.gz QMXDGEQOAQBMGS-UHFFFAOYSA-N 0 3 392.301 2.229 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1[O-] ZINC000843417348 653786593 /nfs/dbraw/zinc/78/65/93/653786593.db2.gz BZVVFARDBYKYOF-CYBMUJFWSA-N 0 3 383.853 2.379 20 10 GECDHN COc1cc(Cl)cc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843417348 653786594 /nfs/dbraw/zinc/78/65/94/653786594.db2.gz BZVVFARDBYKYOF-CYBMUJFWSA-N 0 3 383.853 2.379 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000790619887 653794376 /nfs/dbraw/zinc/79/43/76/653794376.db2.gz UWUPQINSQXABFC-GXTWGEPZSA-N 0 3 376.291 2.411 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c1[O-] ZINC000824897100 653911614 /nfs/dbraw/zinc/91/16/14/653911614.db2.gz MWVDSWGQZBAWKI-UHFFFAOYSA-N 0 3 392.315 2.147 20 10 GECDHN Cc1cc(Br)cc(CNCCS(=O)(=O)C2CCOCC2)c1O ZINC000824897100 653911619 /nfs/dbraw/zinc/91/16/19/653911619.db2.gz MWVDSWGQZBAWKI-UHFFFAOYSA-N 0 3 392.315 2.147 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c1[O-] ZINC000903432091 654238972 /nfs/dbraw/zinc/23/89/72/654238972.db2.gz GSHNLQCPKWGMQH-NSHDSACASA-N 0 3 382.258 2.466 20 10 GECDHN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927633419 654608432 /nfs/dbraw/zinc/60/84/32/654608432.db2.gz BCOXSKOGFNUWBX-HNNXBMFYSA-N 0 3 398.301 2.207 20 10 GECDHN Cc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233035 598912039 /nfs/dbraw/zinc/91/20/39/598912039.db2.gz CYPYMPBUWLGCPM-MRXNPFEDSA-N 0 3 393.495 2.298 20 10 GECDHN CCOc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000736654999 598466474 /nfs/dbraw/zinc/46/64/74/598466474.db2.gz OSIUTUBYRJYNLN-UHFFFAOYSA-N 0 3 395.467 2.125 20 10 GECDHN C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824598536 608279858 /nfs/dbraw/zinc/27/98/58/608279858.db2.gz FOZNVLOIPTWCHA-MRXNPFEDSA-N 0 3 394.479 2.433 20 10 GECDHN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569529 608474292 /nfs/dbraw/zinc/47/42/92/608474292.db2.gz INPCMAYLEOFJKH-YWZLYKJASA-N 0 3 394.479 2.088 20 10 GECDHN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569529 608474293 /nfs/dbraw/zinc/47/42/93/608474293.db2.gz INPCMAYLEOFJKH-YWZLYKJASA-N 0 3 394.479 2.088 20 10 GECDHN O=C(CN1CCCN(Cc2c(O)cccc2Br)CC1)N1CCCC1 ZINC000862217791 653679967 /nfs/dbraw/zinc/67/99/67/653679967.db2.gz SJLKNAUWUIHCQL-UHFFFAOYSA-N 0 3 396.329 2.285 20 10 GECDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537613 654045787 /nfs/dbraw/zinc/04/57/87/654045787.db2.gz FQIWRRUITGVXBI-CABCVRRESA-N 0 3 379.555 2.211 20 10 GECDHN Cc1cc(Br)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000180721965 532278497 /nfs/dbraw/zinc/27/84/97/532278497.db2.gz FWLBGNLXYNFETB-UHFFFAOYSA-N 0 3 391.331 2.319 20 10 GECDHN Cc1cc(Br)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000180721965 532278502 /nfs/dbraw/zinc/27/85/02/532278502.db2.gz FWLBGNLXYNFETB-UHFFFAOYSA-N 0 3 391.331 2.319 20 10 GECDHN Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234029 598618753 /nfs/dbraw/zinc/61/87/53/598618753.db2.gz JTTYPXVPCDWVDD-UHFFFAOYSA-N 0 3 393.495 2.440 20 10 GECDHN COc1cc(C)cc(C[NH+]2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1O ZINC000826178139 607845709 /nfs/dbraw/zinc/84/57/09/607845709.db2.gz LOECWOPDZIHQAL-UHFFFAOYSA-N 0 3 398.442 2.351 20 10 GECDHN C[C@@H]([NH2+]CCOc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000824599450 608474372 /nfs/dbraw/zinc/47/43/72/608474372.db2.gz OXXIZKSONUAYMQ-MRXNPFEDSA-N 0 3 394.479 2.433 20 10 GECDHN C[C@@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000824599450 608474374 /nfs/dbraw/zinc/47/43/74/608474374.db2.gz OXXIZKSONUAYMQ-MRXNPFEDSA-N 0 3 394.479 2.433 20 10 GECDHN Cc1cc(O)c(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1C ZINC000826271837 609599986 /nfs/dbraw/zinc/59/99/86/609599986.db2.gz JTECGQMKZXPOLE-SFHVURJKSA-N 0 3 392.463 2.474 20 10 GECDHN COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(Br)cc(C)c2O)C1 ZINC000278777066 646548827 /nfs/dbraw/zinc/54/88/27/646548827.db2.gz VEIGGVCAJRQRHJ-CJNGLKHVSA-N 0 3 388.302 2.309 20 10 GECDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000843122352 653780168 /nfs/dbraw/zinc/78/01/68/653780168.db2.gz QVSJFANGUQCWEE-AWEZNQCLSA-N 0 3 384.318 2.283 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000848518929 653986474 /nfs/dbraw/zinc/98/64/74/653986474.db2.gz OLMUDCPGBSAILQ-SNVBAGLBSA-N 0 3 395.319 2.095 20 10 GECDHN COc1cc(Br)cc([C@H](C)NCCS(=O)(=O)C2CC2)c1O ZINC000848552980 653987307 /nfs/dbraw/zinc/98/73/07/653987307.db2.gz HCQGVHLMKIRAKA-VIFPVBQESA-N 0 3 378.288 2.391 20 10 GECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848554627 653987360 /nfs/dbraw/zinc/98/73/60/653987360.db2.gz YILBAPWVCBSMQB-GXSJLCMTSA-N 0 3 395.319 2.142 20 10 GECDHN CN(C)c1ccc([C@H](CNC(=O)c2cn(C)nc2Br)N(C)C)cc1 ZINC000891242274 654275089 /nfs/dbraw/zinc/27/50/89/654275089.db2.gz DNLUKMNVCQFUQL-HNNXBMFYSA-N 0 3 394.317 2.281 20 10 GECDHN COc1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1Cn1cccn1 ZINC000873135507 654418116 /nfs/dbraw/zinc/41/81/16/654418116.db2.gz XZJSFYCSMRPDTR-RUZDIDTESA-N 0 3 375.416 2.341 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c1[O-] ZINC000187354666 532344107 /nfs/dbraw/zinc/34/41/07/532344107.db2.gz MGSCSDHLJOSETG-LLVKDONJSA-N 0 3 380.304 2.175 20 10 GECDHN COc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000373141301 532434257 /nfs/dbraw/zinc/43/42/57/532434257.db2.gz PNWRNHONSIKRMC-UHFFFAOYSA-N 0 3 382.507 2.405 20 10 GECDHN COc1cc(Br)cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000367460771 532925071 /nfs/dbraw/zinc/92/50/71/532925071.db2.gz IYCQAPBBEVNZAW-CABCVRRESA-N 0 3 385.302 2.194 20 10 GECDHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235639 598619148 /nfs/dbraw/zinc/61/91/48/598619148.db2.gz XCJYJMZYHYTXGY-INIZCTEOSA-N 0 3 379.468 2.098 20 10 GECDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235640 598619172 /nfs/dbraw/zinc/61/91/72/598619172.db2.gz XCJYJMZYHYTXGY-MRXNPFEDSA-N 0 3 379.468 2.098 20 10 GECDHN OC1CCN(c2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)cc2F)CC1 ZINC000823706223 606213571 /nfs/dbraw/zinc/21/35/71/606213571.db2.gz KUTGSBPRABMRRM-UHFFFAOYSA-N 0 3 388.472 2.318 20 10 GECDHN COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826210319 608502134 /nfs/dbraw/zinc/50/21/34/608502134.db2.gz MSSPTKFYXUAHCU-LBPRGKRZSA-N 0 3 385.424 2.319 20 10 GECDHN C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1[O-] ZINC000756547373 652500319 /nfs/dbraw/zinc/50/03/19/652500319.db2.gz BSFCKWOCIZCMMR-QWHCGFSZSA-N 0 3 384.318 2.393 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776223573 653342590 /nfs/dbraw/zinc/34/25/90/653342590.db2.gz KMTNVGPDYCWAHZ-XHDPSFHLSA-N 0 3 393.285 2.480 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000898155448 653955892 /nfs/dbraw/zinc/95/58/92/653955892.db2.gz OILQAPIAGRDSMQ-ZDUSSCGKSA-N 0 3 379.258 2.327 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000848520357 653986429 /nfs/dbraw/zinc/98/64/29/653986429.db2.gz OWTYGCDKELHGDO-UWVGGRQHSA-N 0 3 378.288 2.249 20 10 GECDHN CC(C)Nc1nc(NCCO)nc(NCc2cc(Br)ccc2O)n1 ZINC000804826858 654322668 /nfs/dbraw/zinc/32/26/68/654322668.db2.gz HVEPPLLJBMHFQD-UHFFFAOYSA-N 0 3 397.277 2.176 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000187395433 532344300 /nfs/dbraw/zinc/34/43/00/532344300.db2.gz DQJIVGRMLCRODZ-VXGBXAGGSA-N 0 3 391.331 2.395 20 10 GECDHN C[C@@H](CS(C)(=O)=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470770 532932776 /nfs/dbraw/zinc/93/27/76/532932776.db2.gz PDUKIHHSLNMERX-STQMWFEESA-N 0 3 380.432 2.434 20 10 GECDHN COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c([O-])c1 ZINC000737092509 598275153 /nfs/dbraw/zinc/27/51/53/598275153.db2.gz MICDLUUHLPAKHN-UHFFFAOYSA-N 0 3 380.452 2.340 20 10 GECDHN CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736566323 598487028 /nfs/dbraw/zinc/48/70/28/598487028.db2.gz YTHKGBMBKYXDJU-MRXNPFEDSA-N 0 3 393.495 2.346 20 10 GECDHN CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736566323 598487030 /nfs/dbraw/zinc/48/70/30/598487030.db2.gz YTHKGBMBKYXDJU-MRXNPFEDSA-N 0 3 393.495 2.346 20 10 GECDHN CCN1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736568964 598619088 /nfs/dbraw/zinc/61/90/88/598619088.db2.gz FGTSADUAINAZAN-KRWDZBQOSA-N 0 3 393.495 2.488 20 10 GECDHN c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826517009 608561150 /nfs/dbraw/zinc/56/11/50/608561150.db2.gz LYFCSUJVPDAXSW-UHFFFAOYSA-N 0 3 390.495 2.406 20 10 GECDHN CN1CCN(CCC(C)(C)NC(=O)NCCCSc2nccs2)CC1 ZINC000185545334 645048772 /nfs/dbraw/zinc/04/87/72/645048772.db2.gz CEYWZCZZIQEXMO-UHFFFAOYSA-N 0 3 385.603 2.341 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1[O-] ZINC000275365187 646352557 /nfs/dbraw/zinc/35/25/57/646352557.db2.gz ULAMFLARGYCLFX-SWLSCSKDSA-N 0 3 384.318 2.454 20 10 GECDHN COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(Br)cc(C)c2O)C1 ZINC000278777071 646548791 /nfs/dbraw/zinc/54/87/91/646548791.db2.gz VEIGGVCAJRQRHJ-CZUORRHYSA-N 0 3 388.302 2.309 20 10 GECDHN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000809713607 653290960 /nfs/dbraw/zinc/29/09/60/653290960.db2.gz UEBXECFSRXCVMO-UHFFFAOYSA-N 0 3 398.345 2.041 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776223570 653342463 /nfs/dbraw/zinc/34/24/63/653342463.db2.gz KMTNVGPDYCWAHZ-ABAIWWIYSA-N 0 3 393.285 2.480 20 10 GECDHN CCN(Cc1cc(Br)ccc1O)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000896758347 653893757 /nfs/dbraw/zinc/89/37/57/653893757.db2.gz LFAHKEWSLKGAQB-OAHLLOKOSA-N 0 3 383.286 2.224 20 10 GECDHN COc1cc(Br)cc(CN2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000824451413 653895642 /nfs/dbraw/zinc/89/56/42/653895642.db2.gz VVIMFJNEVUYUCK-NSHDSACASA-N 0 3 385.258 2.437 20 10 GECDHN Cc1cc(Br)cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147056 653918899 /nfs/dbraw/zinc/91/88/99/653918899.db2.gz AITQIZVOAVKWLW-INIZCTEOSA-N 0 3 396.329 2.249 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000848520360 653986545 /nfs/dbraw/zinc/98/65/45/653986545.db2.gz OWTYGCDKELHGDO-VHSXEESVSA-N 0 3 378.288 2.249 20 10 GECDHN COc1cccc([O-])c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000850351834 654072695 /nfs/dbraw/zinc/07/26/95/654072695.db2.gz VJEKRAHFEAKBJE-UHFFFAOYSA-N 0 3 380.242 2.078 20 10 GECDHN COc1cc(Br)cc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000850368759 654073645 /nfs/dbraw/zinc/07/36/45/654073645.db2.gz PRKVSKDNLSVJCJ-CABZTGNLSA-N 0 3 378.288 2.219 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000927141680 654595203 /nfs/dbraw/zinc/59/52/03/654595203.db2.gz JHTIQONDVYGIRG-GXSJLCMTSA-N 0 3 381.274 2.500 20 10 GECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000186025827 532339542 /nfs/dbraw/zinc/33/95/42/532339542.db2.gz QGRIFIFEXSYWFL-NSHDSACASA-N 0 3 378.441 2.316 20 10 GECDHN COc1cc(Br)cc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1O ZINC000367956702 532929211 /nfs/dbraw/zinc/92/92/11/532929211.db2.gz NTCUBQIPNNLFND-IUODEOHRSA-N 0 3 385.302 2.458 20 10 GECDHN CCN1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)CC1 ZINC000736569004 598689520 /nfs/dbraw/zinc/68/95/20/598689520.db2.gz HCXYATHYHQGJLV-UHFFFAOYSA-N 0 3 393.495 2.442 20 10 GECDHN CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000138265163 643922229 /nfs/dbraw/zinc/92/22/29/643922229.db2.gz LRGLGVUJMKKBFI-CYBMUJFWSA-N 0 3 399.310 2.431 20 10 GECDHN CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000138265163 643922238 /nfs/dbraw/zinc/92/22/38/643922238.db2.gz LRGLGVUJMKKBFI-CYBMUJFWSA-N 0 3 399.310 2.431 20 10 GECDHN CN(C)Cc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000177762672 644425683 /nfs/dbraw/zinc/42/56/83/644425683.db2.gz QJUZSXUQZITKAO-UHFFFAOYSA-N 0 3 378.523 2.442 20 10 GECDHN O=C(NCCCSc1nccs1)N1CCN(CC2CCOCC2)CC1 ZINC000177852551 644426760 /nfs/dbraw/zinc/42/67/60/644426760.db2.gz IIVOSFAOCHFTTK-UHFFFAOYSA-N 0 3 384.571 2.379 20 10 GECDHN CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000761222154 652637309 /nfs/dbraw/zinc/63/73/09/652637309.db2.gz MYUYRDCLZRRUHW-UHFFFAOYSA-N 0 3 376.906 2.206 20 10 GECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000808427399 653229532 /nfs/dbraw/zinc/22/95/32/653229532.db2.gz QTCSQGHVZFSOMW-JTQLQIEISA-N 0 3 378.288 2.078 20 10 GECDHN CCN(Cc1cc(Br)ccc1O)C(=O)C1CN([C@H]2CCOC2)C1 ZINC000896758346 653893593 /nfs/dbraw/zinc/89/35/93/653893593.db2.gz LFAHKEWSLKGAQB-HNNXBMFYSA-N 0 3 383.286 2.224 20 10 GECDHN COc1cccc(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897976693 653946759 /nfs/dbraw/zinc/94/67/59/653946759.db2.gz CWOIWTIYVBVKKR-GFCCVEGCSA-N 0 3 378.226 2.211 20 10 GECDHN COc1cc(Br)cc([C@@H](C)NCCS(=O)(=O)NC(C)C)c1O ZINC000848532884 653986729 /nfs/dbraw/zinc/98/67/29/653986729.db2.gz CRXMWTMOYCOPLA-SNVBAGLBSA-N 0 3 395.319 2.142 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c1[O-] ZINC000848532884 653986731 /nfs/dbraw/zinc/98/67/31/653986731.db2.gz CRXMWTMOYCOPLA-SNVBAGLBSA-N 0 3 395.319 2.142 20 10 GECDHN CSCC[C@H]1NC(=S)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225790 654005432 /nfs/dbraw/zinc/00/54/32/654005432.db2.gz ZEHSCLZRASZCHN-HZPDHXFCSA-N 0 3 380.583 2.194 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000800541754 654148446 /nfs/dbraw/zinc/14/84/46/654148446.db2.gz RXRVSLIACYKERV-SMDDNHRTSA-N 0 3 391.331 2.271 20 10 GECDHN CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CCS(=O)(=O)C1 ZINC000903366751 654236218 /nfs/dbraw/zinc/23/62/18/654236218.db2.gz WEYIRIABMNSBBS-XHDPSFHLSA-N 0 3 392.315 2.317 20 10 GECDHN CN(C)c1ccc([C@@H](CNC(=O)Cn2cc(Br)cn2)N(C)C)cc1 ZINC000891256239 654275610 /nfs/dbraw/zinc/27/56/10/654275610.db2.gz VZJZFBQAVZMKAQ-MRXNPFEDSA-N 0 3 394.317 2.131 20 10 GECDHN CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]nc2c1CNCC2 ZINC000188662854 532349050 /nfs/dbraw/zinc/34/90/50/532349050.db2.gz MNRCHMOVNHMMBE-UHFFFAOYSA-N 0 3 379.258 2.186 20 10 GECDHN COc1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1[O-] ZINC000375737232 532579481 /nfs/dbraw/zinc/57/94/81/532579481.db2.gz AKDMWUKBDYQSSP-ZDUSSCGKSA-N 0 3 382.507 2.263 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529644010 532610677 /nfs/dbraw/zinc/61/06/77/532610677.db2.gz LLAGCLNDPQNESA-SFHVURJKSA-N 0 3 399.329 2.169 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000289266498 532851631 /nfs/dbraw/zinc/85/16/31/532851631.db2.gz FYPLOZNECWBQKB-RISCZKNCSA-N 0 3 376.906 2.252 20 10 GECDHN O=C([O-])CCCN1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000833772989 605219375 /nfs/dbraw/zinc/21/93/75/605219375.db2.gz DXMXQYZDGYIPJX-UHFFFAOYSA-N 0 3 393.503 2.206 20 10 GECDHN c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000826517032 608560838 /nfs/dbraw/zinc/56/08/38/608560838.db2.gz MUIQUPXJWUNSQS-UHFFFAOYSA-N 0 3 390.495 2.406 20 10 GECDHN c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000826517032 608560840 /nfs/dbraw/zinc/56/08/40/608560840.db2.gz MUIQUPXJWUNSQS-UHFFFAOYSA-N 0 3 390.495 2.406 20 10 GECDHN COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])nn1 ZINC000284355785 646838332 /nfs/dbraw/zinc/83/83/32/646838332.db2.gz MSDMLXUGTPWRMT-JTQLQIEISA-N 0 3 383.246 2.192 20 10 GECDHN COc1c(Br)c([N+](=O)[O-])c(N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000754057203 652425999 /nfs/dbraw/zinc/42/59/99/652425999.db2.gz NSZYSPUZWKEUKV-UHFFFAOYSA-N 0 3 375.179 2.024 20 10 GECDHN COc1cc(Br)cc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1[O-] ZINC000810157599 653328894 /nfs/dbraw/zinc/32/88/94/653328894.db2.gz BAMUYLUSEZCXLA-UHFFFAOYSA-N 0 3 379.254 2.481 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000776231166 653342570 /nfs/dbraw/zinc/34/25/70/653342570.db2.gz OIDOVAHLCSKEFR-HNNXBMFYSA-N 0 3 383.286 2.333 20 10 GECDHN CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1c([O-])cccc1Br ZINC000858120745 653349492 /nfs/dbraw/zinc/34/94/92/653349492.db2.gz LDZOGJRRJYGGFW-OAHLLOKOSA-N 0 3 384.318 2.187 20 10 GECDHN Cc1cccc(O)c1CNCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000877018465 653460297 /nfs/dbraw/zinc/46/02/97/653460297.db2.gz NIGNSBPFVFHJDF-UHFFFAOYSA-N 0 3 382.507 2.073 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1[O-] ZINC000840960650 653704087 /nfs/dbraw/zinc/70/40/87/653704087.db2.gz RPKOLKBMKIJKLC-UHFFFAOYSA-N 0 3 380.304 2.466 20 10 GECDHN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CNCCCO1 ZINC000841086541 653706104 /nfs/dbraw/zinc/70/61/04/653706104.db2.gz OMRRDWDKCIULQM-NSHDSACASA-N 0 3 394.107 2.385 20 10 GECDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000843047063 653777923 /nfs/dbraw/zinc/77/79/23/653777923.db2.gz MUHNDCLOOIAVNM-CQSZACIVSA-N 0 3 396.329 2.107 20 10 GECDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000843047063 653777925 /nfs/dbraw/zinc/77/79/25/653777925.db2.gz MUHNDCLOOIAVNM-CQSZACIVSA-N 0 3 396.329 2.107 20 10 GECDHN NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000902525626 654181683 /nfs/dbraw/zinc/18/16/83/654181683.db2.gz YCBKUMMJDBCOOG-NSHDSACASA-N 0 3 399.310 2.418 20 10 GECDHN NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000902525626 654181686 /nfs/dbraw/zinc/18/16/86/654181686.db2.gz YCBKUMMJDBCOOG-NSHDSACASA-N 0 3 399.310 2.418 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c1[O-] ZINC000903430565 654239068 /nfs/dbraw/zinc/23/90/68/654239068.db2.gz YGAOUPGGCFGXTG-SNVBAGLBSA-N 0 3 398.257 2.167 20 10 GECDHN COc1ccc([O-])c(C[NH2+]C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 ZINC000359895632 206266441 /nfs/dbraw/zinc/26/64/41/206266441.db2.gz HNPVZKFNBMXXLM-NRFANRHFSA-N 0 3 398.459 2.321 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1[O-] ZINC000289266496 532852006 /nfs/dbraw/zinc/85/20/06/532852006.db2.gz FYPLOZNECWBQKB-FZMZJTMJSA-N 0 3 376.906 2.252 20 10 GECDHN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000275318320 532872596 /nfs/dbraw/zinc/87/25/96/532872596.db2.gz KOMFTUSDLKPGDN-ZDUSSCGKSA-N 0 3 384.318 2.278 20 10 GECDHN COc1cc(Br)cc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000367691363 532926549 /nfs/dbraw/zinc/92/65/49/532926549.db2.gz WZECRJFIFQSKTJ-WFASDCNBSA-N 0 3 385.302 2.458 20 10 GECDHN COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210274 608502250 /nfs/dbraw/zinc/50/22/50/608502250.db2.gz KVXZVPVCAJINIT-LBPRGKRZSA-N 0 3 382.424 2.260 20 10 GECDHN COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Br)cc(C)c2O)C1 ZINC000278777061 646548057 /nfs/dbraw/zinc/54/80/57/646548057.db2.gz VEIGGVCAJRQRHJ-BBRMVZONSA-N 0 3 388.302 2.309 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000368598074 647761205 /nfs/dbraw/zinc/76/12/05/647761205.db2.gz ZBORYTYVXBWRTK-SFHVURJKSA-N 0 3 399.329 2.434 20 10 GECDHN CN(C)CCn1nccc1NC(=O)NCc1cc(Br)ccc1O ZINC000836699963 653371515 /nfs/dbraw/zinc/37/15/15/653371515.db2.gz KWHCMEZIZQFAQV-UHFFFAOYSA-N 0 3 382.262 2.235 20 10 GECDHN [O-]c1ccccc1C[N@H+](CCn1cnc(Br)n1)C[C@H]1CCCO1 ZINC000821391030 653797101 /nfs/dbraw/zinc/79/71/01/653797101.db2.gz GIWLXBYQCHYPBG-CQSZACIVSA-N 0 3 381.274 2.427 20 10 GECDHN [O-]c1ccccc1C[N@@H+](CCn1cnc(Br)n1)C[C@H]1CCCO1 ZINC000821391030 653797102 /nfs/dbraw/zinc/79/71/02/653797102.db2.gz GIWLXBYQCHYPBG-CQSZACIVSA-N 0 3 381.274 2.427 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846186986 653890355 /nfs/dbraw/zinc/89/03/55/653890355.db2.gz IRVIIPPYQRGEQG-ZYHUDNBSSA-N 0 3 377.304 2.148 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000898159024 653956332 /nfs/dbraw/zinc/95/63/32/653956332.db2.gz LAIBSXHHKFXCQP-LBPRGKRZSA-N 0 3 395.257 2.027 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000898159023 653956357 /nfs/dbraw/zinc/95/63/57/653956357.db2.gz LAIBSXHHKFXCQP-GFCCVEGCSA-N 0 3 395.257 2.027 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848561637 653987568 /nfs/dbraw/zinc/98/75/68/653987568.db2.gz ANFLPHSHEFNKBF-MWLCHTKSSA-N 0 3 381.274 2.500 20 10 GECDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537618 654045708 /nfs/dbraw/zinc/04/57/08/654045708.db2.gz FQIWRRUITGVXBI-LSDHHAIUSA-N 0 3 379.555 2.211 20 10 GECDHN O=C(NCc1cc(Br)ccc1O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000852637801 654251800 /nfs/dbraw/zinc/25/18/00/654251800.db2.gz GZGOQGDDFSAITC-OAHLLOKOSA-N 0 3 398.301 2.207 20 10 GECDHN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCN1C1CCOCC1 ZINC000927633420 654608381 /nfs/dbraw/zinc/60/83/81/654608381.db2.gz BCOXSKOGFNUWBX-OAHLLOKOSA-N 0 3 398.301 2.207 20 10 GECDHN COC(=O)c1cnc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)s1 ZINC000295407440 532443341 /nfs/dbraw/zinc/44/33/41/532443341.db2.gz WZCRVXVLEXMJGK-ZDUSSCGKSA-N 0 3 379.507 2.441 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529644009 532610146 /nfs/dbraw/zinc/61/01/46/532610146.db2.gz LLAGCLNDPQNESA-GOSISDBHSA-N 0 3 399.329 2.169 20 10 GECDHN COc1ccc(O)c(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000290397698 532879704 /nfs/dbraw/zinc/87/97/04/532879704.db2.gz JEZNVCPXVMVUBO-CQSZACIVSA-N 0 3 382.507 2.405 20 10 GECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000290397698 532879706 /nfs/dbraw/zinc/87/97/06/532879706.db2.gz JEZNVCPXVMVUBO-CQSZACIVSA-N 0 3 382.507 2.405 20 10 GECDHN Cc1cc(C(=O)NCCCC[NH+](C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234606 598812534 /nfs/dbraw/zinc/81/25/34/598812534.db2.gz NDUNAYSRHOYJGD-UHFFFAOYSA-N 0 3 381.484 2.346 20 10 GECDHN Cc1cc(C(=O)NCC[NH2+]C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176909 599382783 /nfs/dbraw/zinc/38/27/83/599382783.db2.gz QDTGGJBZGATXID-UHFFFAOYSA-N 0 3 381.484 2.392 20 10 GECDHN OCC1CCN(c2ccc(C[NH2+]Cc3cc(-c4nnn[n-]4)cs3)cc2)CC1 ZINC000823715082 606213802 /nfs/dbraw/zinc/21/38/02/606213802.db2.gz RFTCZLDEBVTWHY-UHFFFAOYSA-N 0 3 384.509 2.427 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1[O-] ZINC000275365173 646352622 /nfs/dbraw/zinc/35/26/22/646352622.db2.gz ULAMFLARGYCLFX-DOMZBBRYSA-N 0 3 384.318 2.454 20 10 GECDHN COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOCC1 ZINC000756133292 652489773 /nfs/dbraw/zinc/48/97/73/652489773.db2.gz WNOXSTQYFBTVEB-UHFFFAOYSA-N 0 3 388.258 2.365 20 10 GECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000808427400 653229433 /nfs/dbraw/zinc/22/94/33/653229433.db2.gz QTCSQGHVZFSOMW-SNVBAGLBSA-N 0 3 378.288 2.078 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1[O-] ZINC000883300307 653834560 /nfs/dbraw/zinc/83/45/60/653834560.db2.gz SZTYDXWNENVYBQ-LBPRGKRZSA-N 0 3 378.288 2.220 20 10 GECDHN NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000895553711 653840609 /nfs/dbraw/zinc/84/06/09/653840609.db2.gz KGFREPSDOKYHPD-UHFFFAOYSA-N 0 3 396.329 2.461 20 10 GECDHN NC(=O)C1(N2CCCCC2)CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000895553711 653840610 /nfs/dbraw/zinc/84/06/10/653840610.db2.gz KGFREPSDOKYHPD-UHFFFAOYSA-N 0 3 396.329 2.461 20 10 GECDHN CN(C)C(=O)CCN1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825222467 653921748 /nfs/dbraw/zinc/92/17/48/653921748.db2.gz GAZAJUNGELCAEG-UHFFFAOYSA-N 0 3 384.318 2.187 20 10 GECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848554630 653987249 /nfs/dbraw/zinc/98/72/49/653987249.db2.gz YILBAPWVCBSMQB-ONGXEEELSA-N 0 3 395.319 2.142 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000796493407 653998994 /nfs/dbraw/zinc/99/89/94/653998994.db2.gz XHOHPABAOJZQFN-VIFPVBQESA-N 0 3 378.288 2.219 20 10 GECDHN CC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1cc(Br)ccc1[O-] ZINC000801518845 654199618 /nfs/dbraw/zinc/19/96/18/654199618.db2.gz WDEQJNUWYLPYAM-UHFFFAOYSA-N 0 3 384.318 2.141 20 10 GECDHN CC[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1cc(Br)ccc1[O-] ZINC000801518845 654199626 /nfs/dbraw/zinc/19/96/26/654199626.db2.gz WDEQJNUWYLPYAM-UHFFFAOYSA-N 0 3 384.318 2.141 20 10 GECDHN CN(C)c1ccc([C@H](CNC(=O)c2ncc(Br)cn2)N(C)C)cc1 ZINC000891243367 654275061 /nfs/dbraw/zinc/27/50/61/654275061.db2.gz NFRAFYRCFJEGGD-HNNXBMFYSA-N 0 3 392.301 2.338 20 10 GECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(Br)n(C)n2)N(C)C)cc1 ZINC000891247087 654275118 /nfs/dbraw/zinc/27/51/18/654275118.db2.gz HFXILCGOIKRIOI-HNNXBMFYSA-N 0 3 394.317 2.281 20 10 GECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834878647 654355114 /nfs/dbraw/zinc/35/51/14/654355114.db2.gz MMBHMFNLAAPWKK-PWSUYJOCSA-N 0 3 379.320 2.442 20 10 GECDHN C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1[O-] ZINC000359955908 206273477 /nfs/dbraw/zinc/27/34/77/206273477.db2.gz CSXQHJBBGDPJIY-GOEBONIOSA-N 0 3 398.345 2.212 20 10 GECDHN COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC000737092230 598466562 /nfs/dbraw/zinc/46/65/62/598466562.db2.gz LFSCPCFIWCFCEL-UHFFFAOYSA-N 0 3 379.468 2.337 20 10 GECDHN COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC000737092230 598466563 /nfs/dbraw/zinc/46/65/63/598466563.db2.gz LFSCPCFIWCFCEL-UHFFFAOYSA-N 0 3 379.468 2.337 20 10 GECDHN COc1cc(Br)cc(CN[C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000747625041 652171099 /nfs/dbraw/zinc/17/10/99/652171099.db2.gz YDOPCFGHRUVUMS-AWEZNQCLSA-N 0 3 399.285 2.033 20 10 GECDHN CNC(=O)[C@H](CCSC)NCc1cc(Br)cc(OC)c1O ZINC000808437903 653229543 /nfs/dbraw/zinc/22/95/43/653229543.db2.gz YBHWNCGXRFCNNQ-NSHDSACASA-N 0 3 377.304 2.121 20 10 GECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1[O-] ZINC000808719220 653234054 /nfs/dbraw/zinc/23/40/54/653234054.db2.gz SXKCIHRWWVAQFM-GXTWGEPZSA-N 0 3 375.922 2.275 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000809709848 653291009 /nfs/dbraw/zinc/29/10/09/653291009.db2.gz JGHATDASJSZWKY-AWEZNQCLSA-N 0 3 391.331 2.367 20 10 GECDHN CN(C)c1ccc(CNCc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000840877125 653697326 /nfs/dbraw/zinc/69/73/26/653697326.db2.gz UFHLKKUFWRHSDB-UHFFFAOYSA-N 0 3 398.326 2.452 20 10 GECDHN CN1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)CC1 ZINC000825903351 653943690 /nfs/dbraw/zinc/94/36/90/653943690.db2.gz FBJCWGSGDORYSS-UHFFFAOYSA-N 0 3 396.329 2.141 20 10 GECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834878645 654355259 /nfs/dbraw/zinc/35/52/59/654355259.db2.gz MMBHMFNLAAPWKK-JQWIXIFHSA-N 0 3 379.320 2.442 20 10 GECDHN COc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1Cn1cccn1 ZINC000873135509 654418158 /nfs/dbraw/zinc/41/81/58/654418158.db2.gz XZJSFYCSMRPDTR-VWLOTQADSA-N 0 3 375.416 2.341 20 10 GECDHN COc1cc(Br)cc(CN2CCN(C3CCOCC3)CC2)c1O ZINC000129731873 532183264 /nfs/dbraw/zinc/18/32/64/532183264.db2.gz YWNHYGWYCYMEMM-UHFFFAOYSA-N 0 3 385.302 2.460 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000187395417 532344331 /nfs/dbraw/zinc/34/43/31/532344331.db2.gz DQJIVGRMLCRODZ-RYUDHWBXSA-N 0 3 391.331 2.395 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000289266500 532851836 /nfs/dbraw/zinc/85/18/36/532851836.db2.gz FYPLOZNECWBQKB-SMDDNHRTSA-N 0 3 376.906 2.252 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000361012440 532892097 /nfs/dbraw/zinc/89/20/97/532892097.db2.gz NYBDYVKCAAELIT-CYBMUJFWSA-N 0 3 381.274 2.265 20 10 GECDHN COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1-c1nnn[n-]1 ZINC000821817882 599409470 /nfs/dbraw/zinc/40/94/70/599409470.db2.gz AHNOQOFOCOWUSP-UHFFFAOYSA-N 0 3 398.442 2.141 20 10 GECDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806253205 653156522 /nfs/dbraw/zinc/15/65/22/653156522.db2.gz CFCWHAMEDHDBRA-AWEZNQCLSA-N 0 3 384.571 2.122 20 10 GECDHN COc1ccc(N2CCC(NCc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000876998084 653458674 /nfs/dbraw/zinc/45/86/74/653458674.db2.gz AXQWGQDGOQPVSQ-UHFFFAOYSA-N 0 3 381.523 2.163 20 10 GECDHN Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(O)c1 ZINC000877017265 653460260 /nfs/dbraw/zinc/46/02/60/653460260.db2.gz GDGHDMSARLXEHL-UHFFFAOYSA-N 0 3 382.507 2.073 20 10 GECDHN O=C1CO[C@H]2CC[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]2N1 ZINC000840151415 653677050 /nfs/dbraw/zinc/67/70/50/653677050.db2.gz CJUGKMPVEWADMH-RDJZCZTQSA-N 0 3 391.265 2.397 20 10 GECDHN O=C1CO[C@H]2CC[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@@H]2N1 ZINC000840151415 653677051 /nfs/dbraw/zinc/67/70/51/653677051.db2.gz CJUGKMPVEWADMH-RDJZCZTQSA-N 0 3 391.265 2.397 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1[O-] ZINC000840897282 653699525 /nfs/dbraw/zinc/69/95/25/653699525.db2.gz QGAAOYHZAPEYPO-NSHDSACASA-N 0 3 396.289 2.285 20 10 GECDHN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CNCCCO1 ZINC000841086540 653706140 /nfs/dbraw/zinc/70/61/40/653706140.db2.gz OMRRDWDKCIULQM-LLVKDONJSA-N 0 3 394.107 2.385 20 10 GECDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000866438979 653795699 /nfs/dbraw/zinc/79/56/99/653795699.db2.gz BWNWDMVTFATEEM-DCAQKATOSA-N 0 3 387.274 2.180 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1[O-] ZINC000895613824 653843415 /nfs/dbraw/zinc/84/34/15/653843415.db2.gz HGGGJYGJTSLKHO-UHFFFAOYSA-N 0 3 376.906 2.394 20 10 GECDHN CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849113763 654005055 /nfs/dbraw/zinc/00/50/55/654005055.db2.gz IRFHFRUSWLJQEW-UHFFFAOYSA-N 0 3 387.278 2.293 20 10 GECDHN CO[C@]1(CNCc2ccc(N(C)C)cc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922618817 654404182 /nfs/dbraw/zinc/40/41/82/654404182.db2.gz HUWADTZPJMZEGS-HNNXBMFYSA-N 0 3 380.432 2.065 20 10 GECDHN C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1[O-] ZINC000359955907 206273701 /nfs/dbraw/zinc/27/37/01/206273701.db2.gz CSXQHJBBGDPJIY-GDBMZVCRSA-N 0 3 398.345 2.212 20 10 GECDHN COc1cc(Br)cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000367460774 532925184 /nfs/dbraw/zinc/92/51/84/532925184.db2.gz IYCQAPBBEVNZAW-LSDHHAIUSA-N 0 3 385.302 2.194 20 10 GECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367681527 532926339 /nfs/dbraw/zinc/92/63/39/532926339.db2.gz CQMNZMVGCOKKRX-CYBMUJFWSA-N 0 3 382.507 2.263 20 10 GECDHN Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234477 598619099 /nfs/dbraw/zinc/61/90/99/598619099.db2.gz LLWFIKFLJTVPEP-MRXNPFEDSA-N 0 3 391.479 2.241 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373193693 647810544 /nfs/dbraw/zinc/81/05/44/647810544.db2.gz ZARFXTFZSHCYPV-YVEFUNNKSA-N 0 3 396.285 2.273 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776223572 653342794 /nfs/dbraw/zinc/34/27/94/653342794.db2.gz KMTNVGPDYCWAHZ-NHYWBVRUSA-N 0 3 393.285 2.480 20 10 GECDHN CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1c([O-])cccc1Br ZINC000858120744 653349742 /nfs/dbraw/zinc/34/97/42/653349742.db2.gz LDZOGJRRJYGGFW-HNNXBMFYSA-N 0 3 384.318 2.187 20 10 GECDHN O=S1(=O)CCC(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000877033741 653462806 /nfs/dbraw/zinc/46/28/06/653462806.db2.gz LWMIJGAPWUUYRI-QGZVFWFLSA-N 0 3 386.945 2.424 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000779002857 653464772 /nfs/dbraw/zinc/46/47/72/653464772.db2.gz JIDSMTBABCVZLD-LLVKDONJSA-N 0 3 379.320 2.395 20 10 GECDHN COCC(COC)N1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000840954219 653703831 /nfs/dbraw/zinc/70/38/31/653703831.db2.gz IQSXOXXJNRMZKS-UHFFFAOYSA-N 0 3 387.318 2.242 20 10 GECDHN CN1CCN(c2ccc(CNCc3cnc(Br)cn3)cc2)CC1 ZINC000895408892 653833224 /nfs/dbraw/zinc/83/32/24/653833224.db2.gz MYDPTLOURITTTR-UHFFFAOYSA-N 0 3 376.302 2.281 20 10 GECDHN Cc1cc(Br)cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147057 653918993 /nfs/dbraw/zinc/91/89/93/653918993.db2.gz AITQIZVOAVKWLW-MRXNPFEDSA-N 0 3 396.329 2.249 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1[O-] ZINC000848520120 653986440 /nfs/dbraw/zinc/98/64/40/653986440.db2.gz VTQGIKJAKTZTCX-JTQLQIEISA-N 0 3 387.274 2.096 20 10 GECDHN CN(C)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298420930 532648983 /nfs/dbraw/zinc/64/89/83/532648983.db2.gz ZOHBTLPNFKKQSV-QBFSEMIESA-N 0 3 383.564 2.407 20 10 GECDHN CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000275318315 532872486 /nfs/dbraw/zinc/87/24/86/532872486.db2.gz KOMFTUSDLKPGDN-CYBMUJFWSA-N 0 3 384.318 2.278 20 10 GECDHN COc1cc(Br)cc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000367691362 532926436 /nfs/dbraw/zinc/92/64/36/532926436.db2.gz WZECRJFIFQSKTJ-SWLSCSKDSA-N 0 3 385.302 2.458 20 10 GECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367681532 532926438 /nfs/dbraw/zinc/92/64/38/532926438.db2.gz CQMNZMVGCOKKRX-ZDUSSCGKSA-N 0 3 382.507 2.263 20 10 GECDHN C[C@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824598535 608279596 /nfs/dbraw/zinc/27/95/96/608279596.db2.gz FOZNVLOIPTWCHA-INIZCTEOSA-N 0 3 394.479 2.433 20 10 GECDHN CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000138265279 643922317 /nfs/dbraw/zinc/92/23/17/643922317.db2.gz LRGLGVUJMKKBFI-ZDUSSCGKSA-N 0 3 399.310 2.431 20 10 GECDHN CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000138265279 643922323 /nfs/dbraw/zinc/92/23/23/643922323.db2.gz LRGLGVUJMKKBFI-ZDUSSCGKSA-N 0 3 399.310 2.431 20 10 GECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1[O-] ZINC000808705964 653234112 /nfs/dbraw/zinc/23/41/12/653234112.db2.gz VUPPTAXIGUIFHN-HIFRSBDPSA-N 0 3 390.933 2.493 20 10 GECDHN COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000858541944 653367010 /nfs/dbraw/zinc/36/70/10/653367010.db2.gz QAEYHBUECRDGSS-LLVKDONJSA-N 0 3 387.274 2.183 20 10 GECDHN O=C(CN1CCCN(Cc2ccc(Br)cc2O)CC1)N1CCCC1 ZINC000824555406 653901256 /nfs/dbraw/zinc/90/12/56/653901256.db2.gz GNBPZPVSYWRPGT-UHFFFAOYSA-N 0 3 396.329 2.285 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848561635 653987814 /nfs/dbraw/zinc/98/78/14/653987814.db2.gz ANFLPHSHEFNKBF-KOLCDFICSA-N 0 3 381.274 2.500 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000927141681 654595077 /nfs/dbraw/zinc/59/50/77/654595077.db2.gz JHTIQONDVYGIRG-KOLCDFICSA-N 0 3 381.274 2.500 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000927141683 654595246 /nfs/dbraw/zinc/59/52/46/654595246.db2.gz JHTIQONDVYGIRG-ONGXEEELSA-N 0 3 381.274 2.500 20 10 GECDHN CCOc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1[O-] ZINC000171841816 531921062 /nfs/dbraw/zinc/92/10/62/531921062.db2.gz SPXUFWIIVMWIFN-UHFFFAOYSA-N 0 3 378.441 2.145 20 10 GECDHN COc1cc(Br)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000367460772 532925029 /nfs/dbraw/zinc/92/50/29/532925029.db2.gz IYCQAPBBEVNZAW-GJZGRUSLSA-N 0 3 385.302 2.194 20 10 GECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821610682 607056534 /nfs/dbraw/zinc/05/65/34/607056534.db2.gz ACFMZMKZAMDEHH-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821610682 607056536 /nfs/dbraw/zinc/05/65/36/607056536.db2.gz ACFMZMKZAMDEHH-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821610682 607056537 /nfs/dbraw/zinc/05/65/37/607056537.db2.gz ACFMZMKZAMDEHH-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821610682 607056539 /nfs/dbraw/zinc/05/65/39/607056539.db2.gz ACFMZMKZAMDEHH-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569526 608473851 /nfs/dbraw/zinc/47/38/51/608473851.db2.gz INPCMAYLEOFJKH-FOIQADDNSA-N 0 3 394.479 2.088 20 10 GECDHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569526 608473853 /nfs/dbraw/zinc/47/38/53/608473853.db2.gz INPCMAYLEOFJKH-FOIQADDNSA-N 0 3 394.479 2.088 20 10 GECDHN C[C@@H]([NH2+]CCOc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824599934 608474608 /nfs/dbraw/zinc/47/46/08/608474608.db2.gz UVCSYLCXIZWCQZ-MRXNPFEDSA-N 0 3 394.479 2.433 20 10 GECDHN C[C@@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824599934 608474610 /nfs/dbraw/zinc/47/46/10/608474610.db2.gz UVCSYLCXIZWCQZ-MRXNPFEDSA-N 0 3 394.479 2.433 20 10 GECDHN c1cc(-c2nnn[n-]2)c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000826512538 608797615 /nfs/dbraw/zinc/79/76/15/608797615.db2.gz DZKUHFAKWKJEEV-UHFFFAOYSA-N 0 3 390.495 2.406 20 10 GECDHN c1cc(-c2nn[n-]n2)c(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000826512538 608797617 /nfs/dbraw/zinc/79/76/17/608797617.db2.gz DZKUHFAKWKJEEV-UHFFFAOYSA-N 0 3 390.495 2.406 20 10 GECDHN Cc1cc(O)c(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1C ZINC000826271836 609600023 /nfs/dbraw/zinc/60/00/23/609600023.db2.gz JTECGQMKZXPOLE-GOSISDBHSA-N 0 3 392.463 2.474 20 10 GECDHN CS(=O)(=O)N[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000116869818 643473113 /nfs/dbraw/zinc/47/31/13/643473113.db2.gz UEDOQDFTOQFIHK-ZDUSSCGKSA-N 0 3 399.310 2.431 20 10 GECDHN CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000116869818 643473115 /nfs/dbraw/zinc/47/31/15/643473115.db2.gz UEDOQDFTOQFIHK-ZDUSSCGKSA-N 0 3 399.310 2.431 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c1[O-] ZINC000779026319 653465626 /nfs/dbraw/zinc/46/56/26/653465626.db2.gz INCMDUGAZFVMFN-LLVKDONJSA-N 0 3 392.315 2.053 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846186985 653890375 /nfs/dbraw/zinc/89/03/75/653890375.db2.gz IRVIIPPYQRGEQG-PWSUYJOCSA-N 0 3 377.304 2.148 20 10 GECDHN CN(Cc1cccs1)c1ccc(CNC[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000824608183 653902843 /nfs/dbraw/zinc/90/28/43/653902843.db2.gz CKHIPZHQSKTJQU-SFHVURJKSA-N 0 3 380.535 2.024 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000850341677 654071797 /nfs/dbraw/zinc/07/17/97/654071797.db2.gz DFQVZGVZKDRMFJ-UHFFFAOYSA-N 0 3 392.315 2.468 20 10 GECDHN COc1cc(Br)cc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850368757 654073753 /nfs/dbraw/zinc/07/37/53/654073753.db2.gz PRKVSKDNLSVJCJ-BXKDBHETSA-N 0 3 378.288 2.219 20 10 GECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)c2Br)N(C)C)cc1 ZINC000891249895 654275070 /nfs/dbraw/zinc/27/50/70/654275070.db2.gz XOILECHTWWYXBP-OAHLLOKOSA-N 0 3 394.317 2.281 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1[O-] ZINC000184708175 532334694 /nfs/dbraw/zinc/33/46/94/532334694.db2.gz OUNXKSRSQYITJG-UHFFFAOYSA-N 0 3 398.859 2.408 20 10 GECDHN COC(=O)c1cnc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)s1 ZINC000295407437 532444554 /nfs/dbraw/zinc/44/45/54/532444554.db2.gz WZCRVXVLEXMJGK-CYBMUJFWSA-N 0 3 379.507 2.441 20 10 GECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)COc1ccccc1Br)OCO2 ZINC000268820787 532772378 /nfs/dbraw/zinc/77/23/78/532772378.db2.gz XKPXLLFTKNDWDX-LBPRGKRZSA-N 0 3 396.237 2.413 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1[O-] ZINC000361012441 532891676 /nfs/dbraw/zinc/89/16/76/532891676.db2.gz NYBDYVKCAAELIT-ZDUSSCGKSA-N 0 3 381.274 2.265 20 10 GECDHN CN(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1F ZINC000736773068 598837407 /nfs/dbraw/zinc/83/74/07/598837407.db2.gz KCLODXCHNJZNIL-UHFFFAOYSA-N 0 3 396.474 2.225 20 10 GECDHN CN(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1F ZINC000736773068 598837408 /nfs/dbraw/zinc/83/74/08/598837408.db2.gz KCLODXCHNJZNIL-UHFFFAOYSA-N 0 3 396.474 2.225 20 10 GECDHN C[C@H]([NH2+]CCOc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000824599449 608474180 /nfs/dbraw/zinc/47/41/80/608474180.db2.gz OXXIZKSONUAYMQ-INIZCTEOSA-N 0 3 394.479 2.433 20 10 GECDHN C[C@H]([NH2+]CCOc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000824599449 608474182 /nfs/dbraw/zinc/47/41/82/608474182.db2.gz OXXIZKSONUAYMQ-INIZCTEOSA-N 0 3 394.479 2.433 20 10 GECDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569528 608474391 /nfs/dbraw/zinc/47/43/91/608474391.db2.gz INPCMAYLEOFJKH-QRWLVFNGSA-N 0 3 394.479 2.088 20 10 GECDHN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569528 608474392 /nfs/dbraw/zinc/47/43/92/608474392.db2.gz INPCMAYLEOFJKH-QRWLVFNGSA-N 0 3 394.479 2.088 20 10 GECDHN COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210477 609339689 /nfs/dbraw/zinc/33/96/89/609339689.db2.gz SZCRHPFJACDMJT-UHFFFAOYSA-N 0 3 391.435 2.271 20 10 GECDHN Cc1ccc(O)c(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1 ZINC000093393451 643077004 /nfs/dbraw/zinc/07/70/04/643077004.db2.gz QLNOHAAERZKFMR-UHFFFAOYSA-N 0 3 380.432 2.489 20 10 GECDHN COc1cc(Br)cc(CN2CCN(C[C@H]3CCOC3)CC2)c1O ZINC000093817417 643080654 /nfs/dbraw/zinc/08/06/54/643080654.db2.gz YXZPKLZAJNEFPV-CYBMUJFWSA-N 0 3 385.302 2.317 20 10 GECDHN CCN1CCN(C[C@@H](C)CNC(=O)NCCCSc2nccs2)CC1 ZINC000153974667 644012937 /nfs/dbraw/zinc/01/29/37/644012937.db2.gz IVRLKBGWNPGXST-HNNXBMFYSA-N 0 3 385.603 2.198 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373193691 647810510 /nfs/dbraw/zinc/81/05/10/647810510.db2.gz ZARFXTFZSHCYPV-SJCJKPOMSA-N 0 3 396.285 2.273 20 10 GECDHN COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000776811948 653378970 /nfs/dbraw/zinc/37/89/70/653378970.db2.gz CUPZLFFOICLSGO-ZFWWWQNUSA-N 0 3 390.274 2.073 20 10 GECDHN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000877735041 653618028 /nfs/dbraw/zinc/61/80/28/653618028.db2.gz CMISFXXBBDJFDJ-UHFFFAOYSA-N 0 3 384.885 2.295 20 10 GECDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000842784367 653767267 /nfs/dbraw/zinc/76/72/67/653767267.db2.gz IPCUDLHHAYJIPU-GFCCVEGCSA-N 0 3 389.308 2.433 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000790620071 653794261 /nfs/dbraw/zinc/79/42/61/653794261.db2.gz UWUPQINSQXABFC-JSGCOSHPSA-N 0 3 376.291 2.411 20 10 GECDHN CCOC(=O)[C@@H]1CN(Cc2cc(Br)cc(C)c2O)CC12COC2 ZINC000824490175 653897274 /nfs/dbraw/zinc/89/72/74/653897274.db2.gz YXUQVMRVMVSKMB-AWEZNQCLSA-N 0 3 384.270 2.475 20 10 GECDHN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848554628 653987142 /nfs/dbraw/zinc/98/71/42/653987142.db2.gz YILBAPWVCBSMQB-KOLCDFICSA-N 0 3 395.319 2.142 20 10 GECDHN COc1cccc(C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1O ZINC000799345042 654093057 /nfs/dbraw/zinc/09/30/57/654093057.db2.gz PHASLHMCDZGJBW-UHFFFAOYSA-N 0 3 388.848 2.261 20 10 GECDHN O=S(=O)(NCC[NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1Cl ZINC000802656713 654235477 /nfs/dbraw/zinc/23/54/77/654235477.db2.gz PNQRMASYJLCBJK-UHFFFAOYSA-N 0 3 376.812 2.392 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c1[O-] ZINC000903432090 654239109 /nfs/dbraw/zinc/23/91/09/654239109.db2.gz GSHNLQCPKWGMQH-LLVKDONJSA-N 0 3 382.258 2.466 20 10 GECDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn(C)c2Br)N(C)C)cc1 ZINC000891249894 654275257 /nfs/dbraw/zinc/27/52/57/654275257.db2.gz XOILECHTWWYXBP-HNNXBMFYSA-N 0 3 394.317 2.281 20 10 GECDHN CN(C)c1ccc([C@@H](CNC(=O)c2c(Br)cnn2C)N(C)C)cc1 ZINC000891249303 654275313 /nfs/dbraw/zinc/27/53/13/654275313.db2.gz QMWKDTLVTIVTSL-OAHLLOKOSA-N 0 3 394.317 2.281 20 10 GECDHN COc1ccc([O-])c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000182204139 532310240 /nfs/dbraw/zinc/31/02/40/532310240.db2.gz VGCMGULTYJOUQC-UHFFFAOYSA-N 0 3 382.404 2.052 20 10 GECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210273 608501926 /nfs/dbraw/zinc/50/19/26/608501926.db2.gz KVXZVPVCAJINIT-GFCCVEGCSA-N 0 3 382.424 2.260 20 10 GECDHN COc1cc(Br)cc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1O ZINC000365140763 647660839 /nfs/dbraw/zinc/66/08/39/647660839.db2.gz VPHJCPMOBZJJOP-ZFWWWQNUSA-N 0 3 396.285 2.105 20 10 GECDHN COCCN1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805138008 653100402 /nfs/dbraw/zinc/10/04/02/653100402.db2.gz LHTQNHCHFSJIOF-AWEZNQCLSA-N 0 3 386.290 2.065 20 10 GECDHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000776811942 653378952 /nfs/dbraw/zinc/37/89/52/653378952.db2.gz CUPZLFFOICLSGO-HIFRSBDPSA-N 0 3 390.274 2.073 20 10 GECDHN CN1CCN(C(=O)C2CC[NH+](Cc3c([O-])cccc3Br)CC2)CC1 ZINC000862367171 653684558 /nfs/dbraw/zinc/68/45/58/653684558.db2.gz YDUHUFAAACVJER-UHFFFAOYSA-N 0 3 396.329 2.141 20 10 GECDHN Cn1ncc(Br)c1CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000865681219 653771836 /nfs/dbraw/zinc/77/18/36/653771836.db2.gz TZJVELUBOKFQSD-UHFFFAOYSA-N 0 3 378.318 2.224 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000790620072 653794312 /nfs/dbraw/zinc/79/43/12/653794312.db2.gz UWUPQINSQXABFC-OCCSQVGLSA-N 0 3 376.291 2.411 20 10 GECDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537616 654045739 /nfs/dbraw/zinc/04/57/39/654045739.db2.gz FQIWRRUITGVXBI-HUUCEWRRSA-N 0 3 379.555 2.211 20 10 GECDHN COc1cccc(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1O ZINC000290187362 532874363 /nfs/dbraw/zinc/87/43/63/532874363.db2.gz SNPONYKANXQLCM-CQSZACIVSA-N 0 3 382.507 2.405 20 10 GECDHN COc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1[O-] ZINC000290187362 532874365 /nfs/dbraw/zinc/87/43/65/532874365.db2.gz SNPONYKANXQLCM-CQSZACIVSA-N 0 3 382.507 2.405 20 10 GECDHN Cc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233034 598912162 /nfs/dbraw/zinc/91/21/62/598912162.db2.gz CYPYMPBUWLGCPM-INIZCTEOSA-N 0 3 393.495 2.298 20 10 GECDHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737228040 599104916 /nfs/dbraw/zinc/10/49/16/599104916.db2.gz SGLHZWGOWBJXAP-GOSISDBHSA-N 0 3 393.495 2.440 20 10 GECDHN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737228043 599105465 /nfs/dbraw/zinc/10/54/65/599105465.db2.gz SGLHZWGOWBJXAP-SFHVURJKSA-N 0 3 393.495 2.440 20 10 GECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736819028 598716371 /nfs/dbraw/zinc/71/63/71/598716371.db2.gz FXAXQSKJLLKUCP-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736819028 598716373 /nfs/dbraw/zinc/71/63/73/598716373.db2.gz FXAXQSKJLLKUCP-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736819028 598716375 /nfs/dbraw/zinc/71/63/75/598716375.db2.gz FXAXQSKJLLKUCP-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736819028 598716377 /nfs/dbraw/zinc/71/63/77/598716377.db2.gz FXAXQSKJLLKUCP-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN CCOc1cccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000825649484 608502031 /nfs/dbraw/zinc/50/20/31/608502031.db2.gz QKPMQIHORQMZOV-UHFFFAOYSA-N 0 3 394.479 2.289 20 10 GECDHN COc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1O ZINC000826215921 608584712 /nfs/dbraw/zinc/58/47/12/608584712.db2.gz CIPQHARIXMGHMH-UHFFFAOYSA-N 0 3 380.452 2.293 20 10 GECDHN COc1cccc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1O ZINC000826215921 608584713 /nfs/dbraw/zinc/58/47/13/608584713.db2.gz CIPQHARIXMGHMH-UHFFFAOYSA-N 0 3 380.452 2.293 20 10 GECDHN CCOCc1cc(CNCCNS(=O)(=O)c2cccs2)ccc1OC ZINC000269444066 646034814 /nfs/dbraw/zinc/03/48/14/646034814.db2.gz BZAMHNPBSFSBBC-UHFFFAOYSA-N 0 3 384.523 2.361 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373193687 647810555 /nfs/dbraw/zinc/81/05/55/647810555.db2.gz ZARFXTFZSHCYPV-PXAZEXFGSA-N 0 3 396.285 2.273 20 10 GECDHN C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1[O-] ZINC000756547370 652500241 /nfs/dbraw/zinc/50/02/41/652500241.db2.gz BSFCKWOCIZCMMR-CHWSQXEVSA-N 0 3 384.318 2.393 20 10 GECDHN COCC[N@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1[O-] ZINC000769424908 653155351 /nfs/dbraw/zinc/15/53/51/653155351.db2.gz JNTMIAAJDPRRJL-UHFFFAOYSA-N 0 3 376.247 2.175 20 10 GECDHN COCC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1[O-] ZINC000769424908 653155353 /nfs/dbraw/zinc/15/53/53/653155353.db2.gz JNTMIAAJDPRRJL-UHFFFAOYSA-N 0 3 376.247 2.175 20 10 GECDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806277164 653157263 /nfs/dbraw/zinc/15/72/63/653157263.db2.gz RSGDCGOQRJCEOU-OKILXGFUSA-N 0 3 384.571 2.121 20 10 GECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1[O-] ZINC000808705965 653234338 /nfs/dbraw/zinc/23/43/38/653234338.db2.gz VUPPTAXIGUIFHN-UKRRQHHQSA-N 0 3 390.933 2.493 20 10 GECDHN Cc1cccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1O ZINC000776174719 653341196 /nfs/dbraw/zinc/34/11/96/653341196.db2.gz SARVWIACDKXFJR-UHFFFAOYSA-N 0 3 382.507 2.073 20 10 GECDHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000776811945 653378868 /nfs/dbraw/zinc/37/88/68/653378868.db2.gz CUPZLFFOICLSGO-UKRRQHHQSA-N 0 3 390.274 2.073 20 10 GECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000877923213 653623531 /nfs/dbraw/zinc/62/35/31/653623531.db2.gz LKKHIPSJGJCQPW-OAHLLOKOSA-N 0 3 396.285 2.439 20 10 GECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cc(Br)no1 ZINC000877923212 653623631 /nfs/dbraw/zinc/62/36/31/653623631.db2.gz LKKHIPSJGJCQPW-HNNXBMFYSA-N 0 3 396.285 2.439 20 10 GECDHN CS(=O)(=O)NCCNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000838889200 653634097 /nfs/dbraw/zinc/63/40/97/653634097.db2.gz KPGICQIRPXSGRQ-UHFFFAOYSA-N 0 3 390.347 2.078 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c1[O-] ZINC000866521599 653800413 /nfs/dbraw/zinc/80/04/13/653800413.db2.gz NWYOPKGQHGCUTB-BZNIZROVSA-N 0 3 385.258 2.335 20 10 GECDHN COc1ccc(O)c(CN[C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897978955 653948053 /nfs/dbraw/zinc/94/80/53/653948053.db2.gz USPMPXUAYBXJBJ-ZDUSSCGKSA-N 0 3 378.226 2.211 20 10 GECDHN COCCNC(=O)C1(N[C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848554105 653987134 /nfs/dbraw/zinc/98/71/34/653987134.db2.gz ZVUCILAFVMFFBK-SNVBAGLBSA-N 0 3 387.274 2.109 20 10 GECDHN COc1cc(Br)cc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000850368761 654073635 /nfs/dbraw/zinc/07/36/35/654073635.db2.gz PRKVSKDNLSVJCJ-JOYOIKCWSA-N 0 3 378.288 2.219 20 10 GECDHN CN(C)c1ccc([C@@H](CNC(=O)c2nn(C)cc2Br)N(C)C)cc1 ZINC000891246274 654275109 /nfs/dbraw/zinc/27/51/09/654275109.db2.gz BQYIKLCJAVEAFM-OAHLLOKOSA-N 0 3 394.317 2.281 20 10 GECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000185685508 532338508 /nfs/dbraw/zinc/33/85/08/532338508.db2.gz SGZMJDUXICASLX-JTQLQIEISA-N 0 3 382.404 2.365 20 10 GECDHN CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000186991067 532342985 /nfs/dbraw/zinc/34/29/85/532342985.db2.gz SILOWQGQHWELTG-LBPRGKRZSA-N 0 3 384.318 2.324 20 10 GECDHN C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1[O-] ZINC000359955909 209207486 /nfs/dbraw/zinc/20/74/86/209207486.db2.gz CSXQHJBBGDPJIY-HOCLYGCPSA-N 0 3 398.345 2.212 20 10 GECDHN COc1ccc([O-])c(C[NH2+]C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 ZINC000359895640 209199228 /nfs/dbraw/zinc/19/92/28/209199228.db2.gz HNPVZKFNBMXXLM-OAQYLSRUSA-N 0 3 398.459 2.321 20 10 GECDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289249995 532850912 /nfs/dbraw/zinc/85/09/12/532850912.db2.gz FCNFQYXOJGAIAI-DYVFJYSZSA-N 0 3 396.285 2.416 20 10 GECDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289249995 532850913 /nfs/dbraw/zinc/85/09/13/532850913.db2.gz FCNFQYXOJGAIAI-DYVFJYSZSA-N 0 3 396.285 2.416 20 10 GECDHN c1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(-c2nnn[n-]2)c1 ZINC000826525280 608560907 /nfs/dbraw/zinc/56/09/07/608560907.db2.gz DCWQPFHJDUPMCX-UHFFFAOYSA-N 0 3 390.495 2.406 20 10 GECDHN c1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(-c2nn[n-]n2)c1 ZINC000826525280 608560909 /nfs/dbraw/zinc/56/09/09/608560909.db2.gz DCWQPFHJDUPMCX-UHFFFAOYSA-N 0 3 390.495 2.406 20 10 GECDHN CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000116869816 643473175 /nfs/dbraw/zinc/47/31/75/643473175.db2.gz UEDOQDFTOQFIHK-CYBMUJFWSA-N 0 3 399.310 2.431 20 10 GECDHN CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000116869816 643473185 /nfs/dbraw/zinc/47/31/85/643473185.db2.gz UEDOQDFTOQFIHK-CYBMUJFWSA-N 0 3 399.310 2.431 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1[O-] ZINC000275365179 646352644 /nfs/dbraw/zinc/35/26/44/646352644.db2.gz ULAMFLARGYCLFX-IUODEOHRSA-N 0 3 384.318 2.454 20 10 GECDHN COCCN1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805138009 653100517 /nfs/dbraw/zinc/10/05/17/653100517.db2.gz LHTQNHCHFSJIOF-CQSZACIVSA-N 0 3 386.290 2.065 20 10 GECDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806253206 653156555 /nfs/dbraw/zinc/15/65/55/653156555.db2.gz CFCWHAMEDHDBRA-CQSZACIVSA-N 0 3 384.571 2.122 20 10 GECDHN COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCOC1 ZINC000770677663 653220102 /nfs/dbraw/zinc/22/01/02/653220102.db2.gz KSXDIOCHGJLANA-INIZCTEOSA-N 0 3 388.258 2.365 20 10 GECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1[O-] ZINC000808705963 653233836 /nfs/dbraw/zinc/23/38/36/653233836.db2.gz VUPPTAXIGUIFHN-DZGCQCFKSA-N 0 3 390.933 2.493 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1[O-] ZINC000779002859 653464896 /nfs/dbraw/zinc/46/48/96/653464896.db2.gz JIDSMTBABCVZLD-NSHDSACASA-N 0 3 379.320 2.395 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1[O-] ZINC000840897280 653699567 /nfs/dbraw/zinc/69/95/67/653699567.db2.gz QGAAOYHZAPEYPO-LLVKDONJSA-N 0 3 396.289 2.285 20 10 GECDHN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000843047062 653777785 /nfs/dbraw/zinc/77/77/85/653777785.db2.gz MUHNDCLOOIAVNM-AWEZNQCLSA-N 0 3 396.329 2.107 20 10 GECDHN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000843047062 653777790 /nfs/dbraw/zinc/77/77/90/653777790.db2.gz MUHNDCLOOIAVNM-AWEZNQCLSA-N 0 3 396.329 2.107 20 10 GECDHN Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843122355 653780190 /nfs/dbraw/zinc/78/01/90/653780190.db2.gz QVSJFANGUQCWEE-CQSZACIVSA-N 0 3 384.318 2.283 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1[O-] ZINC000843417349 653786509 /nfs/dbraw/zinc/78/65/09/653786509.db2.gz BZVVFARDBYKYOF-ZDUSSCGKSA-N 0 3 383.853 2.379 20 10 GECDHN COc1cc(Cl)cc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843417349 653786512 /nfs/dbraw/zinc/78/65/12/653786512.db2.gz BZVVFARDBYKYOF-ZDUSSCGKSA-N 0 3 383.853 2.379 20 10 GECDHN COc1cc(Br)cc([C@H](C)NCCS(=O)(=O)NC(C)C)c1O ZINC000848532883 653986759 /nfs/dbraw/zinc/98/67/59/653986759.db2.gz CRXMWTMOYCOPLA-JTQLQIEISA-N 0 3 395.319 2.142 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c1[O-] ZINC000848532883 653986762 /nfs/dbraw/zinc/98/67/62/653986762.db2.gz CRXMWTMOYCOPLA-JTQLQIEISA-N 0 3 395.319 2.142 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1[O-] ZINC000848548855 653987127 /nfs/dbraw/zinc/98/71/27/653987127.db2.gz GTZMRRLVWNLVKQ-SECBINFHSA-N 0 3 378.288 2.391 20 10 GECDHN COc1cc(Br)cc([C@@H](C)NCCS(=O)(=O)C2CC2)c1O ZINC000848552979 653987225 /nfs/dbraw/zinc/98/72/25/653987225.db2.gz HCQGVHLMKIRAKA-SECBINFHSA-N 0 3 378.288 2.391 20 10 GECDHN CO[C@]1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CCS(=O)(=O)C1 ZINC000903366748 654236186 /nfs/dbraw/zinc/23/61/86/654236186.db2.gz WEYIRIABMNSBBS-ABAIWWIYSA-N 0 3 392.315 2.317 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c1[O-] ZINC000903430562 654239126 /nfs/dbraw/zinc/23/91/26/654239126.db2.gz YGAOUPGGCFGXTG-JTQLQIEISA-N 0 3 398.257 2.167 20 10 GECDHN O=C(NCc1cc(Br)ccc1O)NC1CCN([C@H]2CCOC2)CC1 ZINC000852637800 654252006 /nfs/dbraw/zinc/25/20/06/654252006.db2.gz GZGOQGDDFSAITC-HNNXBMFYSA-N 0 3 398.301 2.207 20 10 GECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834878649 654355148 /nfs/dbraw/zinc/35/51/48/654355148.db2.gz MMBHMFNLAAPWKK-ZYHUDNBSSA-N 0 3 379.320 2.442 20 10 GECDHN CCN(Cc1cc(Br)ccc1O)C(=O)NCCN(C)CCOC ZINC000174623896 532073104 /nfs/dbraw/zinc/07/31/04/532073104.db2.gz QNXTZWMHTWGZAR-UHFFFAOYSA-N 0 3 388.306 2.264 20 10 GECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000186025844 532339514 /nfs/dbraw/zinc/33/95/14/532339514.db2.gz QGRIFIFEXSYWFL-LLVKDONJSA-N 0 3 378.441 2.316 20 10 GECDHN COc1cc(Br)cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000367460773 532925207 /nfs/dbraw/zinc/92/52/07/532925207.db2.gz IYCQAPBBEVNZAW-HUUCEWRRSA-N 0 3 385.302 2.194 20 10 GECDHN CCN1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736568967 598618911 /nfs/dbraw/zinc/61/89/11/598618911.db2.gz FGTSADUAINAZAN-QGZVFWFLSA-N 0 3 393.495 2.488 20 10 GECDHN Cc1cc(C(=O)N2CCNC(C)(C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168808 606184835 /nfs/dbraw/zinc/18/48/35/606184835.db2.gz SROWQLZGLIAYAB-UHFFFAOYSA-N 0 3 379.468 2.098 20 10 GECDHN COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821831675 606855593 /nfs/dbraw/zinc/85/55/93/606855593.db2.gz INQRJFQKQJCNND-HXUWFJFHSA-N 0 3 394.479 2.121 20 10 GECDHN COc1ccc(N2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821831675 606855595 /nfs/dbraw/zinc/85/55/95/606855595.db2.gz INQRJFQKQJCNND-HXUWFJFHSA-N 0 3 394.479 2.121 20 10 GECDHN COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821831675 606855597 /nfs/dbraw/zinc/85/55/97/606855597.db2.gz INQRJFQKQJCNND-HXUWFJFHSA-N 0 3 394.479 2.121 20 10 GECDHN COc1ccc(N2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821831675 606855599 /nfs/dbraw/zinc/85/55/99/606855599.db2.gz INQRJFQKQJCNND-HXUWFJFHSA-N 0 3 394.479 2.121 20 10 GECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000826210642 608500549 /nfs/dbraw/zinc/50/05/49/608500549.db2.gz ZBOSQCWPVMPZQO-SNVBAGLBSA-N 0 3 388.453 2.322 20 10 GECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000826210642 608500551 /nfs/dbraw/zinc/50/05/51/608500551.db2.gz ZBOSQCWPVMPZQO-SNVBAGLBSA-N 0 3 388.453 2.322 20 10 GECDHN C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1[O-] ZINC000756547375 652500494 /nfs/dbraw/zinc/50/04/94/652500494.db2.gz BSFCKWOCIZCMMR-STQMWFEESA-N 0 3 384.318 2.393 20 10 GECDHN C[C@H](NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1O ZINC000783498086 653679809 /nfs/dbraw/zinc/67/98/09/653679809.db2.gz AYPKUJDANUEDTI-ZDUSSCGKSA-N 0 3 382.507 2.325 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]C2CN(c3ccncn3)C2)c1[O-] ZINC000866495733 653798869 /nfs/dbraw/zinc/79/88/69/653798869.db2.gz HAIGIZGCIHSHJS-JTQLQIEISA-N 0 3 379.258 2.493 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c1[O-] ZINC000866572302 653802832 /nfs/dbraw/zinc/80/28/32/653802832.db2.gz NCPYGHNIKXXXOP-JTQLQIEISA-N 0 3 379.320 2.428 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1[O-] ZINC000896303697 653873376 /nfs/dbraw/zinc/87/33/76/653873376.db2.gz IMEQGIPMOIWBLM-UHFFFAOYSA-N 0 3 384.885 2.263 20 10 GECDHN COc1ccc(O)c(CN[C@@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897978954 653947866 /nfs/dbraw/zinc/94/78/66/653947866.db2.gz USPMPXUAYBXJBJ-CYBMUJFWSA-N 0 3 378.226 2.211 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000848547015 653986926 /nfs/dbraw/zinc/98/69/26/653986926.db2.gz HUTHRIIIEOAQEI-VIFPVBQESA-N 0 3 378.288 2.249 20 10 GECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(Br)n(C)n2)N(C)C)cc1 ZINC000891247088 654275190 /nfs/dbraw/zinc/27/51/90/654275190.db2.gz HFXILCGOIKRIOI-OAHLLOKOSA-N 0 3 394.317 2.281 20 10 GECDHN COc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1[O-] ZINC000069875921 531913145 /nfs/dbraw/zinc/91/31/45/531913145.db2.gz POJYERGMVALLDM-UHFFFAOYSA-N 0 3 382.404 2.052 20 10 GECDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289250002 532850930 /nfs/dbraw/zinc/85/09/30/532850930.db2.gz FCNFQYXOJGAIAI-SUMWQHHRSA-N 0 3 396.285 2.416 20 10 GECDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289250002 532850932 /nfs/dbraw/zinc/85/09/32/532850932.db2.gz FCNFQYXOJGAIAI-SUMWQHHRSA-N 0 3 396.285 2.416 20 10 GECDHN COc1cccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1[O-] ZINC000364043022 532903141 /nfs/dbraw/zinc/90/31/41/532903141.db2.gz SOSRHOMZPBLNHZ-UHFFFAOYSA-N 0 3 382.507 2.405 20 10 GECDHN Cc1cc(C(=O)NCCC[NH+]2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236169 598815687 /nfs/dbraw/zinc/81/56/87/598815687.db2.gz FQKHTLKEEWRZEI-UHFFFAOYSA-N 0 3 393.495 2.490 20 10 GECDHN Cc1cc(C(=O)N(C)CCC[NH+](C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257073 608592375 /nfs/dbraw/zinc/59/23/75/608592375.db2.gz MMADZNRBYYQRKW-UHFFFAOYSA-N 0 3 381.484 2.298 20 10 GECDHN C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1[O-] ZINC000756547371 652500434 /nfs/dbraw/zinc/50/04/34/652500434.db2.gz BSFCKWOCIZCMMR-OLZOCXBDSA-N 0 3 384.318 2.393 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776223571 653342720 /nfs/dbraw/zinc/34/27/20/653342720.db2.gz KMTNVGPDYCWAHZ-IAQYHMDHSA-N 0 3 393.285 2.480 20 10 GECDHN NS(=O)(=O)c1ccc(CNCc2ccc(N3CCSCC3)cc2)cc1 ZINC000876942972 653455598 /nfs/dbraw/zinc/45/55/98/653455598.db2.gz KOANVOPQCZCZKX-UHFFFAOYSA-N 0 3 377.535 2.177 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000862484817 653687461 /nfs/dbraw/zinc/68/74/61/653687461.db2.gz BMTCHHFLKITNBO-ZIAGYGMSSA-N 0 3 391.331 2.413 20 10 GECDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000862552167 653688411 /nfs/dbraw/zinc/68/84/11/653688411.db2.gz UGVSWDLXRSUNJH-GFCCVEGCSA-N 0 3 391.331 2.224 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1[O-] ZINC000866521600 653800452 /nfs/dbraw/zinc/80/04/52/653800452.db2.gz NWYOPKGQHGCUTB-MEDUHNTESA-N 0 3 385.258 2.335 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1[O-] ZINC000883300306 653834419 /nfs/dbraw/zinc/83/44/19/653834419.db2.gz SZTYDXWNENVYBQ-GFCCVEGCSA-N 0 3 378.288 2.220 20 10 GECDHN CCOC(=O)[C@H]1CN(Cc2cc(Br)cc(C)c2O)CC12COC2 ZINC000824490176 653897227 /nfs/dbraw/zinc/89/72/27/653897227.db2.gz YXUQVMRVMVSKMB-CQSZACIVSA-N 0 3 384.270 2.475 20 10 GECDHN CN(C)c1ccc([C@H](CNCc2nc(Br)nn2C)N(C)C)cc1 ZINC000898447200 653971208 /nfs/dbraw/zinc/97/12/08/653971208.db2.gz GVISGICXHZIWMW-AWEZNQCLSA-N 0 3 381.322 2.036 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1[O-] ZINC000848548856 653987162 /nfs/dbraw/zinc/98/71/62/653987162.db2.gz GTZMRRLVWNLVKQ-VIFPVBQESA-N 0 3 378.288 2.391 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000800541753 654148472 /nfs/dbraw/zinc/14/84/72/654148472.db2.gz RXRVSLIACYKERV-RISCZKNCSA-N 0 3 391.331 2.271 20 10 GECDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(CCC(=O)OC)C1=O ZINC000851792173 654177954 /nfs/dbraw/zinc/17/79/54/654177954.db2.gz IRJBGMMAKLFFEM-AWEZNQCLSA-N 0 3 399.285 2.141 20 10 GECDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCN(CCC(=O)OC)C1=O ZINC000851792173 654177959 /nfs/dbraw/zinc/17/79/59/654177959.db2.gz IRJBGMMAKLFFEM-AWEZNQCLSA-N 0 3 399.285 2.141 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000927141682 654595112 /nfs/dbraw/zinc/59/51/12/654595112.db2.gz JHTIQONDVYGIRG-MWLCHTKSSA-N 0 3 381.274 2.500 20 10 GECDHN O=S(=O)(C[C@@]12CCN(C1)CCC2)NCc1cc(Br)ccc1O ZINC000915603791 654874674 /nfs/dbraw/zinc/87/46/74/654874674.db2.gz QKUWZXSTGAMJPX-HNNXBMFYSA-N 0 3 389.315 2.060 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1[O-] ZINC000289540350 532857822 /nfs/dbraw/zinc/85/78/22/532857822.db2.gz IAFPYBPINPVXHE-UHFFFAOYSA-N 0 3 382.258 2.074 20 10 GECDHN CCOc1ccc(O)c(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000736648118 598466527 /nfs/dbraw/zinc/46/65/27/598466527.db2.gz XXJOJGVFTWLVKX-UHFFFAOYSA-N 0 3 395.467 2.125 20 10 GECDHN COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000826193266 607482143 /nfs/dbraw/zinc/48/21/43/607482143.db2.gz XIHDZMWEXGYFNK-UHFFFAOYSA-N 0 3 394.479 2.344 20 10 GECDHN COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000826193266 607482144 /nfs/dbraw/zinc/48/21/44/607482144.db2.gz XIHDZMWEXGYFNK-UHFFFAOYSA-N 0 3 394.479 2.344 20 10 GECDHN COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000826193266 607482145 /nfs/dbraw/zinc/48/21/45/607482145.db2.gz XIHDZMWEXGYFNK-UHFFFAOYSA-N 0 3 394.479 2.344 20 10 GECDHN COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000826193266 607482146 /nfs/dbraw/zinc/48/21/46/607482146.db2.gz XIHDZMWEXGYFNK-UHFFFAOYSA-N 0 3 394.479 2.344 20 10 GECDHN COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000826210641 608500320 /nfs/dbraw/zinc/50/03/20/608500320.db2.gz ZBOSQCWPVMPZQO-JTQLQIEISA-N 0 3 388.453 2.322 20 10 GECDHN COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000826210641 608500322 /nfs/dbraw/zinc/50/03/22/608500322.db2.gz ZBOSQCWPVMPZQO-JTQLQIEISA-N 0 3 388.453 2.322 20 10 GECDHN CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c([O-])c1 ZINC000732985962 651683560 /nfs/dbraw/zinc/68/35/60/651683560.db2.gz SFQWMJOUUIRWLH-UHFFFAOYSA-N 0 3 378.441 2.145 20 10 GECDHN Cc1cc(C(=O)NOCCN(C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843897081 653796531 /nfs/dbraw/zinc/79/65/31/653796531.db2.gz CFBQTWFAOWUYEW-UHFFFAOYSA-N 0 3 381.274 2.475 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846186984 653890313 /nfs/dbraw/zinc/89/03/13/653890313.db2.gz IRVIIPPYQRGEQG-JQWIXIFHSA-N 0 3 377.304 2.148 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000848520362 653986314 /nfs/dbraw/zinc/98/63/14/653986314.db2.gz OWTYGCDKELHGDO-ZJUUUORDSA-N 0 3 378.288 2.249 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000848520355 653986530 /nfs/dbraw/zinc/98/65/30/653986530.db2.gz OWTYGCDKELHGDO-NXEZZACHSA-N 0 3 378.288 2.249 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848561640 653987577 /nfs/dbraw/zinc/98/75/77/653987577.db2.gz ANFLPHSHEFNKBF-ONGXEEELSA-N 0 3 381.274 2.500 20 10 GECDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537615 654045699 /nfs/dbraw/zinc/04/56/99/654045699.db2.gz FQIWRRUITGVXBI-GJZGRUSLSA-N 0 3 379.555 2.211 20 10 GECDHN COCc1csc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000850134613 654066924 /nfs/dbraw/zinc/06/69/24/654066924.db2.gz BRZNUCIDRPJJRS-UHFFFAOYSA-N 0 3 380.535 2.419 20 10 GECDHN CO[C@@]1(CNCc2ccc(N(C)C)cc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922618818 654404138 /nfs/dbraw/zinc/40/41/38/654404138.db2.gz HUWADTZPJMZEGS-OAHLLOKOSA-N 0 3 380.432 2.065 20 10 GECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000376364341 532610305 /nfs/dbraw/zinc/61/03/05/532610305.db2.gz BOFSJQWMOVMYDK-YHWZYXNKSA-N 0 3 395.297 2.318 20 10 GECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)COc1ccccc1Br)OCO2 ZINC000268820785 532772240 /nfs/dbraw/zinc/77/22/40/532772240.db2.gz XKPXLLFTKNDWDX-GFCCVEGCSA-N 0 3 396.237 2.413 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c1[O-] ZINC000371714544 532949315 /nfs/dbraw/zinc/94/93/15/532949315.db2.gz LBCIGWTZPWLIRI-ZDUSSCGKSA-N 0 3 381.274 2.265 20 10 GECDHN CCN(CC)CC(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093045075 643074284 /nfs/dbraw/zinc/07/42/84/643074284.db2.gz LQSNSTDRPSNKGJ-UHFFFAOYSA-N 0 3 384.318 2.141 20 10 GECDHN COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(Br)cc(C)c2O)C1 ZINC000278777076 646548733 /nfs/dbraw/zinc/54/87/33/646548733.db2.gz VEIGGVCAJRQRHJ-XJKSGUPXSA-N 0 3 388.302 2.309 20 10 GECDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1[O-] ZINC000776520461 653353472 /nfs/dbraw/zinc/35/34/72/653353472.db2.gz LSMVKYAFCGDFNV-MRXNPFEDSA-N 0 3 390.274 2.346 20 10 GECDHN O=S1(=O)CCC(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000877033740 653462531 /nfs/dbraw/zinc/46/25/31/653462531.db2.gz LWMIJGAPWUUYRI-KRWDZBQOSA-N 0 3 386.945 2.424 20 10 GECDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000842784368 653767212 /nfs/dbraw/zinc/76/72/12/653767212.db2.gz IPCUDLHHAYJIPU-LBPRGKRZSA-N 0 3 389.308 2.433 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c1[O-] ZINC000866521601 653800487 /nfs/dbraw/zinc/80/04/87/653800487.db2.gz NWYOPKGQHGCUTB-ZBEGNZNMSA-N 0 3 385.258 2.335 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000883375897 653837992 /nfs/dbraw/zinc/83/79/92/653837992.db2.gz BBOYZAHDUWDUOR-FBIMIBRVSA-N 0 3 378.288 2.390 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000846186983 653890317 /nfs/dbraw/zinc/89/03/17/653890317.db2.gz IRVIIPPYQRGEQG-CMPLNLGQSA-N 0 3 377.304 2.148 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1[O-] ZINC000187395400 532344273 /nfs/dbraw/zinc/34/42/73/532344273.db2.gz DQJIVGRMLCRODZ-NEPJUHHUSA-N 0 3 391.331 2.395 20 10 GECDHN C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1[O-] ZINC000359955910 212127483 /nfs/dbraw/zinc/12/74/83/212127483.db2.gz CSXQHJBBGDPJIY-ZBFHGGJFSA-N 0 3 398.345 2.212 20 10 GECDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289249999 532851050 /nfs/dbraw/zinc/85/10/50/532851050.db2.gz FCNFQYXOJGAIAI-GUYCJALGSA-N 0 3 396.285 2.416 20 10 GECDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289249999 532851051 /nfs/dbraw/zinc/85/10/51/532851051.db2.gz FCNFQYXOJGAIAI-GUYCJALGSA-N 0 3 396.285 2.416 20 10 GECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000289266494 532851758 /nfs/dbraw/zinc/85/17/58/532851758.db2.gz FYPLOZNECWBQKB-BXUZGUMPSA-N 0 3 376.906 2.252 20 10 GECDHN Oc1cc2c(cc1C[NH2+]CCSCc1ccccc1-c1nn[n-]n1)OCO2 ZINC000738398726 598275135 /nfs/dbraw/zinc/27/51/35/598275135.db2.gz YDBRNPOAILLDRH-UHFFFAOYSA-N 0 3 385.449 2.324 20 10 GECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821610919 606961927 /nfs/dbraw/zinc/96/19/27/606961927.db2.gz KFGICJBVZYCFFL-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821610919 606961929 /nfs/dbraw/zinc/96/19/29/606961929.db2.gz KFGICJBVZYCFFL-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821610919 606961931 /nfs/dbraw/zinc/96/19/31/606961931.db2.gz KFGICJBVZYCFFL-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821610919 606961933 /nfs/dbraw/zinc/96/19/33/606961933.db2.gz KFGICJBVZYCFFL-UHFFFAOYSA-N 0 3 382.443 2.474 20 10 GECDHN C[C@H]([NH2+]CCOc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824599932 608474530 /nfs/dbraw/zinc/47/45/30/608474530.db2.gz UVCSYLCXIZWCQZ-INIZCTEOSA-N 0 3 394.479 2.433 20 10 GECDHN C[C@H]([NH2+]CCOc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824599932 608474532 /nfs/dbraw/zinc/47/45/32/608474532.db2.gz UVCSYLCXIZWCQZ-INIZCTEOSA-N 0 3 394.479 2.433 20 10 GECDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806277165 653157057 /nfs/dbraw/zinc/15/70/57/653157057.db2.gz RSGDCGOQRJCEOU-ZIAGYGMSSA-N 0 3 384.571 2.121 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1[O-] ZINC000776231167 653342777 /nfs/dbraw/zinc/34/27/77/653342777.db2.gz OIDOVAHLCSKEFR-OAHLLOKOSA-N 0 3 383.286 2.333 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1[O-] ZINC000858327097 653360218 /nfs/dbraw/zinc/36/02/18/653360218.db2.gz LGQQVDUVNXTBGE-RISCZKNCSA-N 0 3 384.230 2.475 20 10 GECDHN COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000858541947 653367199 /nfs/dbraw/zinc/36/71/99/653367199.db2.gz QAEYHBUECRDGSS-NSHDSACASA-N 0 3 387.274 2.183 20 10 GECDHN Cc1ccc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(O)c1 ZINC000876734977 653444896 /nfs/dbraw/zinc/44/48/96/653444896.db2.gz BKFHIWJVXFHOMF-UHFFFAOYSA-N 0 3 380.432 2.489 20 10 GECDHN COc1cc(Br)cc(CN2CC[C@@H](CN3CCOC3=O)C2)c1O ZINC000824451412 653895444 /nfs/dbraw/zinc/89/54/44/653895444.db2.gz VVIMFJNEVUYUCK-LLVKDONJSA-N 0 3 385.258 2.437 20 10 GECDHN CN(Cc1cccs1)c1ccc(CNC[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC000824608182 653902802 /nfs/dbraw/zinc/90/28/02/653902802.db2.gz CKHIPZHQSKTJQU-GOSISDBHSA-N 0 3 380.535 2.024 20 10 GECDHN CN(C)c1ccc([C@@H](CNCc2nc(Br)nn2C)N(C)C)cc1 ZINC000898447201 653971104 /nfs/dbraw/zinc/97/11/04/653971104.db2.gz GVISGICXHZIWMW-CQSZACIVSA-N 0 3 381.322 2.036 20 10 GECDHN CSCC[C@@H]1NC(=S)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225789 654005425 /nfs/dbraw/zinc/00/54/25/654005425.db2.gz ZEHSCLZRASZCHN-HOTGVXAUSA-N 0 3 380.583 2.194 20 10 GECDHN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000902525625 654181760 /nfs/dbraw/zinc/18/17/60/654181760.db2.gz YCBKUMMJDBCOOG-LLVKDONJSA-N 0 3 399.310 2.418 20 10 GECDHN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000902525625 654181763 /nfs/dbraw/zinc/18/17/63/654181763.db2.gz YCBKUMMJDBCOOG-LLVKDONJSA-N 0 3 399.310 2.418 20 10 GECDHN COc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c([O-])c1 ZINC000364043358 532903264 /nfs/dbraw/zinc/90/32/64/532903264.db2.gz UJCAGISUULHVFU-UHFFFAOYSA-N 0 3 382.507 2.405 20 10 GECDHN C[C@H](CS(C)(=O)=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470768 532932662 /nfs/dbraw/zinc/93/26/62/532932662.db2.gz PDUKIHHSLNMERX-OLZOCXBDSA-N 0 3 380.432 2.434 20 10 GECDHN COc1cc(Br)cc(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000747625043 652170926 /nfs/dbraw/zinc/17/09/26/652170926.db2.gz YDOPCFGHRUVUMS-CQSZACIVSA-N 0 3 399.285 2.033 20 10 GECDHN COCCN1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805183606 653103618 /nfs/dbraw/zinc/10/36/18/653103618.db2.gz DWHCXAYFHMFJHJ-UHFFFAOYSA-N 0 3 386.290 2.065 20 10 GECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1[O-] ZINC000808705967 653234026 /nfs/dbraw/zinc/23/40/26/653234026.db2.gz VUPPTAXIGUIFHN-ZFWWWQNUSA-N 0 3 390.933 2.493 20 10 GECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1[O-] ZINC000808719247 653234106 /nfs/dbraw/zinc/23/41/06/653234106.db2.gz SXKCIHRWWVAQFM-TZMCWYRMSA-N 0 3 375.922 2.275 20 10 GECDHN CCN(CC)CC(=O)N1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775675739 653321458 /nfs/dbraw/zinc/32/14/58/653321458.db2.gz AQSBMYFWQZPTIX-UHFFFAOYSA-N 0 3 398.345 2.449 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCS(=O)(=O)CC2)c1[O-] ZINC000779026323 653465435 /nfs/dbraw/zinc/46/54/35/653465435.db2.gz INCMDUGAZFVMFN-NSHDSACASA-N 0 3 392.315 2.053 20 10 GECDHN COCC[NH2+]CCNCc1cc(Br)cc(Br)c1[O-] ZINC000841047445 653705475 /nfs/dbraw/zinc/70/54/75/653705475.db2.gz BIJBQNODEHEVES-UHFFFAOYSA-N 0 3 382.096 2.243 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000790620073 653794356 /nfs/dbraw/zinc/79/43/56/653794356.db2.gz UWUPQINSQXABFC-TZMCWYRMSA-N 0 3 376.291 2.411 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1[O-] ZINC000866521598 653800460 /nfs/dbraw/zinc/80/04/60/653800460.db2.gz NWYOPKGQHGCUTB-BDJLRTHQSA-N 0 3 385.258 2.335 20 10 GECDHN Cn1cc(CNCc2ccc(N3CCN(C)CC3)cc2)c(Br)n1 ZINC000883282718 653833465 /nfs/dbraw/zinc/83/34/65/653833465.db2.gz BZBDITJNSVLYRY-UHFFFAOYSA-N 0 3 378.318 2.224 20 10 GECDHN CN(C)c1ccc(CN[C@H]2CCCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000792938051 653856194 /nfs/dbraw/zinc/85/61/94/653856194.db2.gz QAGAAMFTHHWMTF-ZDUSSCGKSA-N 0 3 379.448 2.285 20 10 GECDHN COc1ccc(O)c(C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000799736605 654108714 /nfs/dbraw/zinc/10/87/14/654108714.db2.gz YTJOOJWNFJFQPA-UHFFFAOYSA-N 0 3 388.848 2.261 20 10 GECDHN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000851792174 654177884 /nfs/dbraw/zinc/17/78/84/654177884.db2.gz IRJBGMMAKLFFEM-CQSZACIVSA-N 0 3 399.285 2.141 20 10 GECDHN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000851792174 654177889 /nfs/dbraw/zinc/17/78/89/654177889.db2.gz IRJBGMMAKLFFEM-CQSZACIVSA-N 0 3 399.285 2.141 20 10 GECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000185685530 532338448 /nfs/dbraw/zinc/33/84/48/532338448.db2.gz SGZMJDUXICASLX-SNVBAGLBSA-N 0 3 382.404 2.365 20 10 GECDHN CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000186991053 532343019 /nfs/dbraw/zinc/34/30/19/532343019.db2.gz SILOWQGQHWELTG-GFCCVEGCSA-N 0 3 384.318 2.324 20 10 GECDHN CN(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000736774286 598467443 /nfs/dbraw/zinc/46/74/43/598467443.db2.gz UCIJTLJFZCZTLV-UHFFFAOYSA-N 0 3 378.484 2.086 20 10 GECDHN CN(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000736774286 598467444 /nfs/dbraw/zinc/46/74/44/598467444.db2.gz UCIJTLJFZCZTLV-UHFFFAOYSA-N 0 3 378.484 2.086 20 10 GECDHN O=C([O-])CCCN1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000833773451 605220421 /nfs/dbraw/zinc/22/04/21/605220421.db2.gz OCGJOLSAKKQSNV-UHFFFAOYSA-N 0 3 379.476 2.081 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1[O-] ZINC000275365191 646352722 /nfs/dbraw/zinc/35/27/22/646352722.db2.gz ULAMFLARGYCLFX-WFASDCNBSA-N 0 3 384.318 2.454 20 10 GECDHN COc1cccc([O-])c1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000732668236 651669822 /nfs/dbraw/zinc/66/98/22/651669822.db2.gz DIKQADFLXHNMOO-UHFFFAOYSA-N 0 3 382.404 2.052 20 10 GECDHN C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1[O-] ZINC000756548139 652500797 /nfs/dbraw/zinc/50/07/97/652500797.db2.gz IWHMQHNMTQJYEO-OLZOCXBDSA-N 0 3 384.318 2.393 20 10 GECDHN COCCNC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775648074 653320102 /nfs/dbraw/zinc/32/01/02/653320102.db2.gz PNHQKYBORBNGTE-UHFFFAOYSA-N 0 3 385.302 2.438 20 10 GECDHN COCCNC(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000775648074 653320110 /nfs/dbraw/zinc/32/01/10/653320110.db2.gz PNHQKYBORBNGTE-UHFFFAOYSA-N 0 3 385.302 2.438 20 10 GECDHN CN1CCN(c2ccc(CNCc3ccc(S(C)(=O)=O)s3)cc2)CC1 ZINC000786826492 653728498 /nfs/dbraw/zinc/72/84/98/653728498.db2.gz HFXVIZCLFLNQRD-UHFFFAOYSA-N 0 3 379.551 2.193 20 10 GECDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000842783706 653767280 /nfs/dbraw/zinc/76/72/80/653767280.db2.gz BODPFMLVFKHTPG-AWEZNQCLSA-N 0 3 389.308 2.433 20 10 GECDHN COc1cc(Br)cc([C@H](C)NCC(=O)NCC(F)(F)F)c1O ZINC000848526940 653986287 /nfs/dbraw/zinc/98/62/87/653986287.db2.gz MMWUSNUZXAFVPK-ZETCQYMHSA-N 0 3 385.180 2.492 20 10 GECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848561633 653987656 /nfs/dbraw/zinc/98/76/56/653987656.db2.gz ANFLPHSHEFNKBF-GXSJLCMTSA-N 0 3 381.274 2.500 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1[O-] ZINC000800541751 654148556 /nfs/dbraw/zinc/14/85/56/654148556.db2.gz RXRVSLIACYKERV-BXUZGUMPSA-N 0 3 391.331 2.271 20 10 GECDHN CN(C)c1ccc([C@H](CNC(=O)Cn2cc(Br)cn2)N(C)C)cc1 ZINC000891256238 654275696 /nfs/dbraw/zinc/27/56/96/654275696.db2.gz VZJZFBQAVZMKAQ-INIZCTEOSA-N 0 3 394.317 2.131 20 10 GECDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c1[O-] ZINC000922737888 654411156 /nfs/dbraw/zinc/41/11/56/654411156.db2.gz OSDDTSQBXCGKRW-UHFFFAOYSA-N 0 3 380.304 2.324 20 10 GECDHN COc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000922850734 654416740 /nfs/dbraw/zinc/41/67/40/654416740.db2.gz BOYCJERQZNJRRC-YHWZYXNKSA-N 0 3 390.299 2.361 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c1[O-] ZINC000187354680 532343989 /nfs/dbraw/zinc/34/39/89/532343989.db2.gz MGSCSDHLJOSETG-NSHDSACASA-N 0 3 380.304 2.175 20 10 GECDHN C[C@@H](CS(C)(=O)=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470769 532932640 /nfs/dbraw/zinc/93/26/40/532932640.db2.gz PDUKIHHSLNMERX-QWHCGFSZSA-N 0 3 380.432 2.434 20 10 GECDHN COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000821817916 599412610 /nfs/dbraw/zinc/41/26/10/599412610.db2.gz BPILQYYIEJMPDH-UHFFFAOYSA-N 0 3 380.452 2.002 20 10 GECDHN COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000821817916 599412612 /nfs/dbraw/zinc/41/26/12/599412612.db2.gz BPILQYYIEJMPDH-UHFFFAOYSA-N 0 3 380.452 2.002 20 10 GECDHN C[N@@H+]1CCC[C@H](N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)C1 ZINC000737518250 600426624 /nfs/dbraw/zinc/42/66/24/600426624.db2.gz CTEUDSXQFLWPDV-KRWDZBQOSA-N 0 3 383.492 2.455 20 10 GECDHN C[N@H+]1CCC[C@H](N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)C1 ZINC000737518250 600426625 /nfs/dbraw/zinc/42/66/25/600426625.db2.gz CTEUDSXQFLWPDV-KRWDZBQOSA-N 0 3 383.492 2.455 20 10 GECDHN COc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000826216369 608569688 /nfs/dbraw/zinc/56/96/88/608569688.db2.gz VYXQWYHVCVSIHP-UHFFFAOYSA-N 0 3 396.451 2.456 20 10 GECDHN COc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000826216369 608569690 /nfs/dbraw/zinc/56/96/90/608569690.db2.gz VYXQWYHVCVSIHP-UHFFFAOYSA-N 0 3 396.451 2.456 20 10 GECDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806277163 653157225 /nfs/dbraw/zinc/15/72/25/653157225.db2.gz RSGDCGOQRJCEOU-KBPBESRZSA-N 0 3 384.571 2.121 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000809709850 653291526 /nfs/dbraw/zinc/29/15/26/653291526.db2.gz JGHATDASJSZWKY-CQSZACIVSA-N 0 3 391.331 2.367 20 10 GECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000776811939 653378770 /nfs/dbraw/zinc/37/87/70/653378770.db2.gz CUPZLFFOICLSGO-DZGCQCFKSA-N 0 3 390.274 2.073 20 10 GECDHN [O-]c1ccccc1C[N@H+](CCn1cnc(Br)n1)C[C@@H]1CCCO1 ZINC000821391028 653797009 /nfs/dbraw/zinc/79/70/09/653797009.db2.gz GIWLXBYQCHYPBG-AWEZNQCLSA-N 0 3 381.274 2.427 20 10 GECDHN [O-]c1ccccc1C[N@@H+](CCn1cnc(Br)n1)C[C@@H]1CCCO1 ZINC000821391028 653797013 /nfs/dbraw/zinc/79/70/13/653797013.db2.gz GIWLXBYQCHYPBG-AWEZNQCLSA-N 0 3 381.274 2.427 20 10 GECDHN CSCC[C@H]1NC(=S)N(C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225788 654005374 /nfs/dbraw/zinc/00/53/74/654005374.db2.gz ZEHSCLZRASZCHN-CVEARBPZSA-N 0 3 380.583 2.194 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1[O-] ZINC000800541752 654148600 /nfs/dbraw/zinc/14/86/00/654148600.db2.gz RXRVSLIACYKERV-FZMZJTMJSA-N 0 3 391.331 2.271 20 10 GECDHN CO[C@]1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CCS(=O)(=O)C1 ZINC000903366750 654236291 /nfs/dbraw/zinc/23/62/91/654236291.db2.gz WEYIRIABMNSBBS-NHYWBVRUSA-N 0 3 392.315 2.317 20 10 GECDHN CN(C)c1ccc([C@H](CNC(=O)c2nn(C)cc2Br)N(C)C)cc1 ZINC000891246273 654275164 /nfs/dbraw/zinc/27/51/64/654275164.db2.gz BQYIKLCJAVEAFM-HNNXBMFYSA-N 0 3 394.317 2.281 20 10 GECDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000328643060 212089335 /nfs/dbraw/zinc/08/93/35/212089335.db2.gz RGZQVHNQFTZJEH-XLIONFOSSA-N 0 3 387.459 2.346 20 10 GECDHN C[C@H](CS(C)(=O)=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470767 532932845 /nfs/dbraw/zinc/93/28/45/532932845.db2.gz PDUKIHHSLNMERX-CHWSQXEVSA-N 0 3 380.432 2.434 20 10 GECDHN Cc1cc(C(=O)NCCN2CCCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737237027 598610963 /nfs/dbraw/zinc/61/09/63/598610963.db2.gz ZUPQPVQGJZCAIP-UHFFFAOYSA-N 0 3 393.495 2.490 20 10 GECDHN C[N@@H+]1CCC[C@@H](N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)C1 ZINC000737518251 600426560 /nfs/dbraw/zinc/42/65/60/600426560.db2.gz CTEUDSXQFLWPDV-QGZVFWFLSA-N 0 3 383.492 2.455 20 10 GECDHN C[N@H+]1CCC[C@@H](N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)C1 ZINC000737518251 600426561 /nfs/dbraw/zinc/42/65/61/600426561.db2.gz CTEUDSXQFLWPDV-QGZVFWFLSA-N 0 3 383.492 2.455 20 10 GECDHN CCOc1ccc(O)c(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000825643092 608501832 /nfs/dbraw/zinc/50/18/32/608501832.db2.gz ILFVGDLYCZOSOJ-UHFFFAOYSA-N 0 3 394.479 2.289 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000368598071 647760606 /nfs/dbraw/zinc/76/06/06/647760606.db2.gz ZBORYTYVXBWRTK-GOSISDBHSA-N 0 3 399.329 2.434 20 10 GECDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1[O-] ZINC000776520292 653353570 /nfs/dbraw/zinc/35/35/70/653353570.db2.gz LSMVKYAFCGDFNV-INIZCTEOSA-N 0 3 390.274 2.346 20 10 GECDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000862552168 653688473 /nfs/dbraw/zinc/68/84/73/653688473.db2.gz UGVSWDLXRSUNJH-LBPRGKRZSA-N 0 3 391.331 2.224 20 10 GECDHN CN(C)c1ccc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000792938050 653856155 /nfs/dbraw/zinc/85/61/55/653856155.db2.gz QAGAAMFTHHWMTF-CYBMUJFWSA-N 0 3 379.448 2.285 20 10 GECDHN CN(C)c1ccc(CNC[C@H]2CCCN2S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000793026115 653862917 /nfs/dbraw/zinc/86/29/17/653862917.db2.gz HGROCNZWSAJEGE-CQSZACIVSA-N 0 3 379.448 2.285 20 10 GECDHN COC(=O)[C@]12C[N@H+](Cc3cc(Br)cc(C)c3[O-])C[C@H]1COCC2 ZINC000793344327 653875925 /nfs/dbraw/zinc/87/59/25/653875925.db2.gz QXAMGSZRYFYGHB-SUMWQHHRSA-N 0 3 384.270 2.475 20 10 GECDHN COC(=O)[C@]12C[N@@H+](Cc3cc(Br)cc(C)c3[O-])C[C@H]1COCC2 ZINC000793344327 653875928 /nfs/dbraw/zinc/87/59/28/653875928.db2.gz QXAMGSZRYFYGHB-SUMWQHHRSA-N 0 3 384.270 2.475 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1[O-] ZINC000848547014 653986797 /nfs/dbraw/zinc/98/67/97/653986797.db2.gz HUTHRIIIEOAQEI-SECBINFHSA-N 0 3 378.288 2.249 20 10 GECDHN COCCNC(=O)C1(N[C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848554104 653987272 /nfs/dbraw/zinc/98/72/72/653987272.db2.gz ZVUCILAFVMFFBK-JTQLQIEISA-N 0 3 387.274 2.109 20 10 GECDHN CSCC[C@@H]1NC(=S)N(C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1=O ZINC000899225791 654005357 /nfs/dbraw/zinc/00/53/57/654005357.db2.gz ZEHSCLZRASZCHN-JKSUJKDBSA-N 0 3 380.583 2.194 20 10 GECDHN O=S(=O)(NCCNCc1ccc2c(c1)CCO2)c1ccc(F)cc1Cl ZINC000800894864 654163939 /nfs/dbraw/zinc/16/39/39/654163939.db2.gz OMXXRCUGEQZDBH-UHFFFAOYSA-N 0 3 384.860 2.482 20 10 GECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000834878638 654355272 /nfs/dbraw/zinc/35/52/72/654355272.db2.gz MMBHMFNLAAPWKK-CMPLNLGQSA-N 0 3 379.320 2.442 20 10 GECDHN CCOc1ccc([O-])c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000171841641 531920287 /nfs/dbraw/zinc/92/02/87/531920287.db2.gz BGZIAFNSKODGPG-UHFFFAOYSA-N 0 3 378.441 2.145 20 10 GECDHN COc1cc(Br)cc(CN2CCC[C@@H]2CN2CCOCC2)c1O ZINC000092217910 531926850 /nfs/dbraw/zinc/92/68/50/531926850.db2.gz ZRMYDHKFSRSRBJ-OAHLLOKOSA-N 0 3 385.302 2.460 20 10 GECDHN CN1CCN(C(=O)C2CC[NH+](Cc3cc(Br)ccc3[O-])CC2)CC1 ZINC000289981387 532869670 /nfs/dbraw/zinc/86/96/70/532869670.db2.gz ZXJRWKVFUHCETL-UHFFFAOYSA-N 0 3 396.329 2.141 20 10 GECDHN COc1cc(Br)cc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)c1O ZINC000367691360 532926513 /nfs/dbraw/zinc/92/65/13/532926513.db2.gz WZECRJFIFQSKTJ-DOMZBBRYSA-N 0 3 385.302 2.458 20 10 GECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826210318 608502126 /nfs/dbraw/zinc/50/21/26/608502126.db2.gz MSSPTKFYXUAHCU-GFCCVEGCSA-N 0 3 385.424 2.319 20 10 GECDHN Cc1cc(Br)cc(CN2CCC(C(=O)NCCCO)CC2)c1O ZINC000271704059 646221814 /nfs/dbraw/zinc/22/18/14/646221814.db2.gz DSSIIBHADYIQCW-UHFFFAOYSA-N 0 3 385.302 2.174 20 10 GECDHN Cc1cc(Br)cc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1[O-] ZINC000271704059 646221818 /nfs/dbraw/zinc/22/18/18/646221818.db2.gz DSSIIBHADYIQCW-UHFFFAOYSA-N 0 3 385.302 2.174 20 10 GECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[O-] ZINC000373193692 647810384 /nfs/dbraw/zinc/81/03/84/647810384.db2.gz ZARFXTFZSHCYPV-SJKOYZFVSA-N 0 3 396.285 2.273 20 10 GECDHN CC(C)(C)N1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806282671 653158476 /nfs/dbraw/zinc/15/84/76/653158476.db2.gz PYKJXEDBVDUGKY-UHFFFAOYSA-N 0 3 384.571 2.074 20 10 GECDHN C[C@@H](NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1O ZINC000783498085 653679760 /nfs/dbraw/zinc/67/97/60/653679760.db2.gz AYPKUJDANUEDTI-CYBMUJFWSA-N 0 3 382.507 2.325 20 10 GECDHN COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000866438980 653795765 /nfs/dbraw/zinc/79/57/65/653795765.db2.gz BWNWDMVTFATEEM-VWYCJHECSA-N 0 3 387.274 2.180 20 10 GECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCN(C)CCOCCO)c1[O-] ZINC000883350583 653836544 /nfs/dbraw/zinc/83/65/44/653836544.db2.gz JMKPHUKUNRCBTA-ZDUSSCGKSA-N 0 3 375.307 2.054 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)CCOCCO)c1[O-] ZINC000883350582 653836694 /nfs/dbraw/zinc/83/66/94/653836694.db2.gz JMKPHUKUNRCBTA-CYBMUJFWSA-N 0 3 375.307 2.054 20 10 GECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1[O-] ZINC000898155443 653955761 /nfs/dbraw/zinc/95/57/61/653955761.db2.gz OILQAPIAGRDSMQ-CYBMUJFWSA-N 0 3 379.258 2.327 20 10 GECDHN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848554629 653987239 /nfs/dbraw/zinc/98/72/39/653987239.db2.gz YILBAPWVCBSMQB-MWLCHTKSSA-N 0 3 395.319 2.142 20 10 GECDHN COc1cc(Br)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000796493404 653999053 /nfs/dbraw/zinc/99/90/53/653999053.db2.gz XHOHPABAOJZQFN-SECBINFHSA-N 0 3 378.288 2.219 20 10 GECDHN CO[C@@]1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CCS(=O)(=O)C1 ZINC000903366749 654236299 /nfs/dbraw/zinc/23/62/99/654236299.db2.gz WEYIRIABMNSBBS-IAQYHMDHSA-N 0 3 392.315 2.317 20 10 GECDHN CN(C)c1ccc([C@H](CNC(=O)c2c(Br)cnn2C)N(C)C)cc1 ZINC000891249302 654275152 /nfs/dbraw/zinc/27/51/52/654275152.db2.gz QMWKDTLVTIVTSL-HNNXBMFYSA-N 0 3 394.317 2.281 20 10 GECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ncc(Br)cn2)N(C)C)cc1 ZINC000891243368 654275327 /nfs/dbraw/zinc/27/53/27/654275327.db2.gz NFRAFYRCFJEGGD-OAHLLOKOSA-N 0 3 392.301 2.338 20 10 GECDHN CN1C(=O)[C@H]2C[N@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]2C1=O ZINC000872713705 654392606 /nfs/dbraw/zinc/39/26/06/654392606.db2.gz DHYVEEQBNJXJQZ-GASCZTMLSA-N 0 3 389.249 2.355 20 10 GECDHN CN1C(=O)[C@H]2C[N@@H+](Cc3c([O-])ccc4cc(Br)ccc43)C[C@H]2C1=O ZINC000872713705 654392611 /nfs/dbraw/zinc/39/26/11/654392611.db2.gz DHYVEEQBNJXJQZ-GASCZTMLSA-N 0 3 389.249 2.355 20 10 GECDHN COc1cc(Cl)cc(CNCc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000276767657 532900542 /nfs/dbraw/zinc/90/05/42/532900542.db2.gz HWOWJDDBHXXZPR-UHFFFAOYSA-N 0 3 385.869 2.110 20 10 GECDHN CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736566322 598487326 /nfs/dbraw/zinc/48/73/26/598487326.db2.gz YTHKGBMBKYXDJU-INIZCTEOSA-N 0 3 393.495 2.346 20 10 GECDHN CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736566322 598487328 /nfs/dbraw/zinc/48/73/28/598487328.db2.gz YTHKGBMBKYXDJU-INIZCTEOSA-N 0 3 393.495 2.346 20 10 GECDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278787246 646549169 /nfs/dbraw/zinc/54/91/69/646549169.db2.gz WIPHHHGDSAQDQQ-HOCLYGCPSA-N 0 3 380.286 2.405 20 10 GECDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000278787246 646549176 /nfs/dbraw/zinc/54/91/76/646549176.db2.gz WIPHHHGDSAQDQQ-HOCLYGCPSA-N 0 3 380.286 2.405 20 10 GECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1[O-] ZINC000364494743 647629685 /nfs/dbraw/zinc/62/96/85/647629685.db2.gz ZMEXRPGZUQKFDG-LLVKDONJSA-N 0 3 395.305 2.306 20 10 GECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)c1[O-] ZINC000866495734 653798898 /nfs/dbraw/zinc/79/88/98/653798898.db2.gz HAIGIZGCIHSHJS-SNVBAGLBSA-N 0 3 379.258 2.493 20 10 GECDHN COc1cc(Br)cc([C@@H](C)NCC(=O)NCC(F)(F)F)c1O ZINC000848526939 653986489 /nfs/dbraw/zinc/98/64/89/653986489.db2.gz MMWUSNUZXAFVPK-SSDOTTSWSA-N 0 3 385.180 2.492 20 10 GECDHN CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(Br)ccc2[O-])CC1 ZINC000849052589 654003613 /nfs/dbraw/zinc/00/36/13/654003613.db2.gz NTFGPXSSUDJDFZ-UHFFFAOYSA-N 0 3 399.289 2.390 20 10 GECDHN COc1cc(Br)cc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850368764 654073799 /nfs/dbraw/zinc/07/37/99/654073799.db2.gz PRKVSKDNLSVJCJ-SKDRFNHKSA-N 0 3 378.288 2.219 20 10 GECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c1[O-] ZINC000922410166 654391002 /nfs/dbraw/zinc/39/10/02/654391002.db2.gz ZYWAMPYJLXKOAT-BONVTDFDSA-N 0 3 397.273 2.457 20 10 GECDHN