smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001320465845 1386617192 /nfs/dbraw/zinc/61/71/92/1386617192.db2.gz OKSNEZZDRPUBAX-UHFFFAOYSA-N 2 2 331.435 3.111 10 10 EGCELP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001320465845 1386617195 /nfs/dbraw/zinc/61/71/95/1386617195.db2.gz OKSNEZZDRPUBAX-UHFFFAOYSA-N 2 2 331.435 3.111 10 10 EGCELP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795388 1325303639 /nfs/dbraw/zinc/30/36/39/1325303639.db2.gz XOKRVTPBJQXTOW-CRAIPNDOSA-N 2 2 344.499 3.080 10 10 EGCELP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1O ZINC000925796002 1325306388 /nfs/dbraw/zinc/30/63/88/1325306388.db2.gz JKUVXQZMISVDGI-OUAUKWLOSA-N 2 2 345.256 3.190 10 10 EGCELP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000925887222 1325344049 /nfs/dbraw/zinc/34/40/49/1325344049.db2.gz VRLWBZYVGLWYKC-VRHCTWJESA-N 2 2 332.394 3.380 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000183517462 455302538 /nfs/dbraw/zinc/30/25/38/455302538.db2.gz DHPKXFIATQNYQP-BXWFABGCSA-N 2 2 325.456 3.348 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000183517462 455302541 /nfs/dbraw/zinc/30/25/41/455302541.db2.gz DHPKXFIATQNYQP-BXWFABGCSA-N 2 2 325.456 3.348 10 10 EGCELP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O ZINC000184686914 455427702 /nfs/dbraw/zinc/42/77/02/455427702.db2.gz TUJYMLVAHAYELV-ZDUSSCGKSA-N 2 2 347.846 3.383 10 10 EGCELP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O ZINC000184686914 455427703 /nfs/dbraw/zinc/42/77/03/455427703.db2.gz TUJYMLVAHAYELV-ZDUSSCGKSA-N 2 2 347.846 3.383 10 10 EGCELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(Cl)ccc1O ZINC000184989274 455483073 /nfs/dbraw/zinc/48/30/73/455483073.db2.gz DAVCJFWFFRSVFY-LBPRGKRZSA-N 2 2 328.803 3.477 10 10 EGCELP CC[NH+](CC)CCCNc1c2ccccc2[n+](O)c2cc(N)ccc21 ZINC000584631445 459777059 /nfs/dbraw/zinc/77/70/59/459777059.db2.gz XHXLURHRBQAFIF-UHFFFAOYSA-N 2 2 338.455 3.352 10 10 EGCELP C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(CC(F)F)C3)cc2F)CC1 ZINC001326339570 1388159923 /nfs/dbraw/zinc/15/99/23/1388159923.db2.gz YRJKUMLKJYKFOY-UHFFFAOYSA-N 2 2 341.421 3.055 10 10 EGCELP CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000245754074 455374298 /nfs/dbraw/zinc/37/42/98/455374298.db2.gz HJLXZKVRWGRMDC-YJBOKZPZSA-N 2 2 329.444 3.461 10 10 EGCELP CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000245754074 455374302 /nfs/dbraw/zinc/37/43/02/455374302.db2.gz HJLXZKVRWGRMDC-YJBOKZPZSA-N 2 2 329.444 3.461 10 10 EGCELP Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC000071825363 203121309 /nfs/dbraw/zinc/12/13/09/203121309.db2.gz UJHZCIPBAINJKB-HNNXBMFYSA-N 2 2 331.435 3.330 10 10 EGCELP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000245609821 455339416 /nfs/dbraw/zinc/33/94/16/455339416.db2.gz NYGVZZAQFFFWRG-SJKOYZFVSA-N 2 2 331.391 3.014 10 10 EGCELP COc1ccc(N2CCC([NH2+]CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000156620741 455139475 /nfs/dbraw/zinc/13/94/75/455139475.db2.gz WILHVHXQEXCTTD-KRWDZBQOSA-N 2 2 331.504 3.128 10 10 EGCELP COc1ccc(N2CCC([NH2+]CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000156620741 455139480 /nfs/dbraw/zinc/13/94/80/455139480.db2.gz WILHVHXQEXCTTD-KRWDZBQOSA-N 2 2 331.504 3.128 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190468607 455325753 /nfs/dbraw/zinc/32/57/53/455325753.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 2 2 331.485 3.111 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190468607 455325759 /nfs/dbraw/zinc/32/57/59/455325759.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 2 2 331.485 3.111 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190468607 455325764 /nfs/dbraw/zinc/32/57/64/455325764.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 2 2 331.485 3.111 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000190468607 455325770 /nfs/dbraw/zinc/32/57/70/455325770.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 2 2 331.485 3.111 10 10 EGCELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(Cl)ccc1O ZINC000184989294 455482612 /nfs/dbraw/zinc/48/26/12/455482612.db2.gz DAVCJFWFFRSVFY-GFCCVEGCSA-N 2 2 328.803 3.477 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1O ZINC000248499588 455717620 /nfs/dbraw/zinc/71/76/20/455717620.db2.gz MWEQBOKLJBJNGG-ZRGWGRIASA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1O ZINC000248499588 455717626 /nfs/dbraw/zinc/71/76/26/455717626.db2.gz MWEQBOKLJBJNGG-ZRGWGRIASA-N 2 2 343.446 3.488 10 10 EGCELP [NH3+][C@H]1CC[C@H](N(Cc2cc(F)cc(F)c2O)c2cccc[nH+]2)CC1 ZINC000895117498 1309198122 /nfs/dbraw/zinc/19/81/22/1309198122.db2.gz VKRQZXLYOVHBLC-SHTZXODSSA-N 2 2 333.382 3.342 10 10 EGCELP CN(C)c1cc(F)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000858098025 1328682186 /nfs/dbraw/zinc/68/21/86/1328682186.db2.gz FKTLEXBPAFRGON-UHFFFAOYSA-N 2 2 346.425 3.184 10 10 EGCELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1O ZINC000185115638 455504081 /nfs/dbraw/zinc/50/40/81/455504081.db2.gz RPCPOJJVMMZYSG-NEPJUHHUSA-N 2 2 347.286 3.196 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1O ZINC000185472879 455562679 /nfs/dbraw/zinc/56/26/79/455562679.db2.gz RMFFRMIVBBJUTO-DOXZYTNZSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1O ZINC000185472879 455562680 /nfs/dbraw/zinc/56/26/80/455562680.db2.gz RMFFRMIVBBJUTO-DOXZYTNZSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)ccc1O ZINC000185473607 455562727 /nfs/dbraw/zinc/56/27/27/455562727.db2.gz MWEQBOKLJBJNGG-DOXZYTNZSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)ccc1O ZINC000185473607 455562729 /nfs/dbraw/zinc/56/27/29/455562729.db2.gz MWEQBOKLJBJNGG-DOXZYTNZSA-N 2 2 343.446 3.488 10 10 EGCELP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282813017 456633018 /nfs/dbraw/zinc/63/30/18/456633018.db2.gz SSHPTHXEQWSGIP-OAHLLOKOSA-N 2 2 341.455 3.313 10 10 EGCELP COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282813017 456633025 /nfs/dbraw/zinc/63/30/25/456633025.db2.gz SSHPTHXEQWSGIP-OAHLLOKOSA-N 2 2 341.455 3.313 10 10 EGCELP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830207 1371097289 /nfs/dbraw/zinc/09/72/89/1371097289.db2.gz ANGNZHZTKSKDRE-OQBYNLHGSA-N 2 2 338.499 3.454 10 10 EGCELP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830207 1371097294 /nfs/dbraw/zinc/09/72/94/1371097294.db2.gz ANGNZHZTKSKDRE-OQBYNLHGSA-N 2 2 338.499 3.454 10 10 EGCELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1O ZINC000368103813 458009905 /nfs/dbraw/zinc/00/99/05/458009905.db2.gz YWIDCRYXAIQGJD-GXSJLCMTSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1O ZINC000368103813 458009911 /nfs/dbraw/zinc/00/99/11/458009911.db2.gz YWIDCRYXAIQGJD-GXSJLCMTSA-N 2 2 336.233 3.086 10 10 EGCELP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000858285407 1328729571 /nfs/dbraw/zinc/72/95/71/1328729571.db2.gz LJRUFNKDWCMOAH-FQEVSTJZSA-N 2 2 343.515 3.271 10 10 EGCELP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000858285407 1328729575 /nfs/dbraw/zinc/72/95/75/1328729575.db2.gz LJRUFNKDWCMOAH-FQEVSTJZSA-N 2 2 343.515 3.271 10 10 EGCELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1O ZINC000368103816 458010579 /nfs/dbraw/zinc/01/05/79/458010579.db2.gz YWIDCRYXAIQGJD-ONGXEEELSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1O ZINC000368103816 458010583 /nfs/dbraw/zinc/01/05/83/458010583.db2.gz YWIDCRYXAIQGJD-ONGXEEELSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000925775284 1325295426 /nfs/dbraw/zinc/29/54/26/1325295426.db2.gz FKODTZAIMSVBDU-UWVGGRQHSA-N 2 2 338.320 3.306 10 10 EGCELP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1O ZINC000925796001 1325306146 /nfs/dbraw/zinc/30/61/46/1325306146.db2.gz JKUVXQZMISVDGI-GMTAPVOTSA-N 2 2 345.256 3.190 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1O ZINC000248521354 455718151 /nfs/dbraw/zinc/71/81/51/455718151.db2.gz RMFFRMIVBBJUTO-YZVOILCLSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1O ZINC000248521354 455718159 /nfs/dbraw/zinc/71/81/59/455718159.db2.gz RMFFRMIVBBJUTO-YZVOILCLSA-N 2 2 343.446 3.488 10 10 EGCELP Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178856 458709152 /nfs/dbraw/zinc/70/91/52/458709152.db2.gz RTWQWVMVCIEWAE-HXUWFJFHSA-N 2 2 338.451 3.345 10 10 EGCELP CC[C@@H]([NH2+]Cc1cc(N)cc[nH+]1)c1cc(Br)ccc1O ZINC000925768486 1325292447 /nfs/dbraw/zinc/29/24/47/1325292447.db2.gz VRDKNCPKIYXVLK-CQSZACIVSA-N 2 2 336.233 3.373 10 10 EGCELP CC[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cc(Cl)ccc1O ZINC000925842548 1325324817 /nfs/dbraw/zinc/32/48/17/1325324817.db2.gz ACJCPMOBOUOHNZ-KRWDZBQOSA-N 2 2 339.911 3.162 10 10 EGCELP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830204 1371097523 /nfs/dbraw/zinc/09/75/23/1371097523.db2.gz ANGNZHZTKSKDRE-FHHGHWCOSA-N 2 2 338.499 3.454 10 10 EGCELP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830204 1371097530 /nfs/dbraw/zinc/09/75/30/1371097530.db2.gz ANGNZHZTKSKDRE-FHHGHWCOSA-N 2 2 338.499 3.454 10 10 EGCELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000093643633 454725743 /nfs/dbraw/zinc/72/57/43/454725743.db2.gz UIHQMVVLLSKSJG-FZMZJTMJSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@H+]1C ZINC000093643633 454725746 /nfs/dbraw/zinc/72/57/46/454725746.db2.gz UIHQMVVLLSKSJG-FZMZJTMJSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643633 454725751 /nfs/dbraw/zinc/72/57/51/454725751.db2.gz UIHQMVVLLSKSJG-FZMZJTMJSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643633 454725754 /nfs/dbraw/zinc/72/57/54/454725754.db2.gz UIHQMVVLLSKSJG-FZMZJTMJSA-N 2 2 327.266 3.069 10 10 EGCELP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000177372447 454857360 /nfs/dbraw/zinc/85/73/60/454857360.db2.gz LUWRNYUTDHWXCO-MRXNPFEDSA-N 2 2 347.846 3.418 10 10 EGCELP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000177372447 454857362 /nfs/dbraw/zinc/85/73/62/454857362.db2.gz LUWRNYUTDHWXCO-MRXNPFEDSA-N 2 2 347.846 3.418 10 10 EGCELP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191340888 455478107 /nfs/dbraw/zinc/47/81/07/455478107.db2.gz VLJOUPGWXJHHSJ-UHFFFAOYSA-N 2 2 337.826 3.373 10 10 EGCELP CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1O ZINC000375788767 458065553 /nfs/dbraw/zinc/06/55/53/458065553.db2.gz JUAQQSILSNGWDT-INIZCTEOSA-N 2 2 326.375 3.353 10 10 EGCELP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000872252791 1296854287 /nfs/dbraw/zinc/85/42/87/1296854287.db2.gz VRQIQSCXGRZWFC-GFCCVEGCSA-N 2 2 327.266 3.023 10 10 EGCELP CC[C@H]([NH2+]Cc1cc(N)cc[nH+]1)c1cc(Br)ccc1O ZINC000925768485 1325292513 /nfs/dbraw/zinc/29/25/13/1325292513.db2.gz VRDKNCPKIYXVLK-AWEZNQCLSA-N 2 2 336.233 3.373 10 10 EGCELP CCO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C[NH+](C)C ZINC000926961518 1327798736 /nfs/dbraw/zinc/79/87/36/1327798736.db2.gz JKRLREYEBQINDA-YLJYHZDGSA-N 2 2 333.520 3.294 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)ccc1O ZINC000248499587 455718003 /nfs/dbraw/zinc/71/80/03/455718003.db2.gz MWEQBOKLJBJNGG-YZVOILCLSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)ccc1O ZINC000248499587 455718008 /nfs/dbraw/zinc/71/80/08/455718008.db2.gz MWEQBOKLJBJNGG-YZVOILCLSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215193 458719926 /nfs/dbraw/zinc/71/99/26/458719926.db2.gz FAXLNEYKWWSCPG-HZMBPMFUSA-N 2 2 325.250 3.090 10 10 EGCELP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc2ccccc2c1O ZINC000925844052 1325325214 /nfs/dbraw/zinc/32/52/14/1325325214.db2.gz IXYGADWDUBNFEO-KRWDZBQOSA-N 2 2 341.499 3.272 10 10 EGCELP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)CC1(C)C ZINC000862348422 1329476293 /nfs/dbraw/zinc/47/62/93/1329476293.db2.gz MWFBCXNGMPGEJJ-GFCCVEGCSA-N 2 2 327.266 3.117 10 10 EGCELP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)CC1(C)C ZINC000862348422 1329476295 /nfs/dbraw/zinc/47/62/95/1329476295.db2.gz MWFBCXNGMPGEJJ-GFCCVEGCSA-N 2 2 327.266 3.117 10 10 EGCELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000093643631 454725289 /nfs/dbraw/zinc/72/52/89/454725289.db2.gz UIHQMVVLLSKSJG-SMDDNHRTSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@H+]1C ZINC000093643631 454725295 /nfs/dbraw/zinc/72/52/95/454725295.db2.gz UIHQMVVLLSKSJG-SMDDNHRTSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643631 454725299 /nfs/dbraw/zinc/72/52/99/454725299.db2.gz UIHQMVVLLSKSJG-SMDDNHRTSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643631 454725304 /nfs/dbraw/zinc/72/53/04/454725304.db2.gz UIHQMVVLLSKSJG-SMDDNHRTSA-N 2 2 327.266 3.069 10 10 EGCELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(Cl)c2O)C1 ZINC000190485696 455329031 /nfs/dbraw/zinc/32/90/31/455329031.db2.gz UDRRAUPNRWWBLF-MRXNPFEDSA-N 2 2 345.874 3.395 10 10 EGCELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(Cl)c2O)C1 ZINC000190485696 455329035 /nfs/dbraw/zinc/32/90/35/455329035.db2.gz UDRRAUPNRWWBLF-MRXNPFEDSA-N 2 2 345.874 3.395 10 10 EGCELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190485696 455329040 /nfs/dbraw/zinc/32/90/40/455329040.db2.gz UDRRAUPNRWWBLF-MRXNPFEDSA-N 2 2 345.874 3.395 10 10 EGCELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190485696 455329047 /nfs/dbraw/zinc/32/90/47/455329047.db2.gz UDRRAUPNRWWBLF-MRXNPFEDSA-N 2 2 345.874 3.395 10 10 EGCELP Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282256409 456456985 /nfs/dbraw/zinc/45/69/85/456456985.db2.gz BQAUYUUJEFEVEB-AWEZNQCLSA-N 2 2 329.419 3.444 10 10 EGCELP Oc1ccc(F)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282256409 456456991 /nfs/dbraw/zinc/45/69/91/456456991.db2.gz BQAUYUUJEFEVEB-AWEZNQCLSA-N 2 2 329.419 3.444 10 10 EGCELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)ccc1O ZINC000368102873 458010810 /nfs/dbraw/zinc/01/08/10/458010810.db2.gz QGTNJRGRJSWWQA-GXSJLCMTSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)ccc1O ZINC000368102873 458010818 /nfs/dbraw/zinc/01/08/18/458010818.db2.gz QGTNJRGRJSWWQA-GXSJLCMTSA-N 2 2 336.233 3.086 10 10 EGCELP COc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895111051 1309195215 /nfs/dbraw/zinc/19/52/15/1309195215.db2.gz JJZWBJMVZPITPD-WKILWMFISA-N 2 2 327.428 3.072 10 10 EGCELP Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863546612 1329562398 /nfs/dbraw/zinc/56/23/98/1329562398.db2.gz LQPKQFXOYMGJKJ-MDZLAQPJSA-N 2 2 327.266 3.254 10 10 EGCELP Oc1cccc(Br)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC001351327342 1391627554 /nfs/dbraw/zinc/62/75/54/1391627554.db2.gz AEXNDKSZODAWKT-UHFFFAOYSA-N 2 2 339.277 3.261 10 10 EGCELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)ccc1O ZINC000368102876 458009808 /nfs/dbraw/zinc/00/98/08/458009808.db2.gz QGTNJRGRJSWWQA-ONGXEEELSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)ccc1O ZINC000368102876 458009817 /nfs/dbraw/zinc/00/98/17/458009817.db2.gz QGTNJRGRJSWWQA-ONGXEEELSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273461041 456231571 /nfs/dbraw/zinc/23/15/71/456231571.db2.gz CSXUYOFNLPFQQA-GFCCVEGCSA-N 2 2 347.390 3.352 10 10 EGCELP Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282256414 456457259 /nfs/dbraw/zinc/45/72/59/456457259.db2.gz BQAUYUUJEFEVEB-CQSZACIVSA-N 2 2 329.419 3.444 10 10 EGCELP Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282256414 456457265 /nfs/dbraw/zinc/45/72/65/456457265.db2.gz BQAUYUUJEFEVEB-CQSZACIVSA-N 2 2 329.419 3.444 10 10 EGCELP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547605 1329562365 /nfs/dbraw/zinc/56/23/65/1329562365.db2.gz QSARJPNHKHMSIM-JKOKRWQUSA-N 2 2 327.266 3.336 10 10 EGCELP c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925478062 1325167864 /nfs/dbraw/zinc/16/78/64/1325167864.db2.gz SMFNMRVGFKFKGI-SFHVURJKSA-N 2 2 331.529 3.004 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000248384281 455709688 /nfs/dbraw/zinc/70/96/88/455709688.db2.gz DHPKXFIATQNYQP-JTDSTZFVSA-N 2 2 325.456 3.348 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000248384281 455709692 /nfs/dbraw/zinc/70/96/92/455709692.db2.gz DHPKXFIATQNYQP-JTDSTZFVSA-N 2 2 325.456 3.348 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1O ZINC000248521355 455717921 /nfs/dbraw/zinc/71/79/21/455717921.db2.gz RMFFRMIVBBJUTO-ZRGWGRIASA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1O ZINC000248521355 455717925 /nfs/dbraw/zinc/71/79/25/455717925.db2.gz RMFFRMIVBBJUTO-ZRGWGRIASA-N 2 2 343.446 3.488 10 10 EGCELP C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708097953 1298234327 /nfs/dbraw/zinc/23/43/27/1298234327.db2.gz AZMSNPPNAGPXPC-UHFFFAOYSA-N 2 2 347.684 3.240 10 10 EGCELP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000925803001 1325307830 /nfs/dbraw/zinc/30/78/30/1325307830.db2.gz LRMAZIPZUNILRD-OUAUKWLOSA-N 2 2 345.256 3.190 10 10 EGCELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1O ZINC000185115672 455504207 /nfs/dbraw/zinc/50/42/07/455504207.db2.gz RPCPOJJVMMZYSG-VXGBXAGGSA-N 2 2 347.286 3.196 10 10 EGCELP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000377258555 458494188 /nfs/dbraw/zinc/49/41/88/458494188.db2.gz SIQIOTAJHHAHJS-UHFFFAOYSA-N 2 2 332.766 3.055 10 10 EGCELP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858221074 1328714288 /nfs/dbraw/zinc/71/42/88/1328714288.db2.gz AOSAARIRROYZJR-OAQYLSRUSA-N 2 2 343.515 3.020 10 10 EGCELP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858221074 1328714290 /nfs/dbraw/zinc/71/42/90/1328714290.db2.gz AOSAARIRROYZJR-OAQYLSRUSA-N 2 2 343.515 3.020 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000089987051 454255545 /nfs/dbraw/zinc/25/55/45/454255545.db2.gz LBYYZKAHRBBQRA-QGZVFWFLSA-N 2 2 343.471 3.404 10 10 EGCELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)ccc1O ZINC000368102874 458010937 /nfs/dbraw/zinc/01/09/37/458010937.db2.gz QGTNJRGRJSWWQA-KOLCDFICSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)ccc1O ZINC000368102874 458010941 /nfs/dbraw/zinc/01/09/41/458010941.db2.gz QGTNJRGRJSWWQA-KOLCDFICSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215194 458719458 /nfs/dbraw/zinc/71/94/58/458719458.db2.gz FAXLNEYKWWSCPG-IINYFYTJSA-N 2 2 325.250 3.090 10 10 EGCELP CCOc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895111351 1309194662 /nfs/dbraw/zinc/19/46/62/1309194662.db2.gz NXNMPEUUFKEBBH-QAQDUYKDSA-N 2 2 341.455 3.462 10 10 EGCELP CCN(C)c1ccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)cc1 ZINC000860029494 1329130871 /nfs/dbraw/zinc/13/08/71/1329130871.db2.gz JRSYSYWVENCWGO-UHFFFAOYSA-N 2 2 345.531 3.220 10 10 EGCELP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1O ZINC000925883465 1325342389 /nfs/dbraw/zinc/34/23/89/1325342389.db2.gz WPRYZZSEZLEQNM-KKZNHRDASA-N 2 2 331.229 3.072 10 10 EGCELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C[NH+](C)C ZINC000926961514 1327799374 /nfs/dbraw/zinc/79/93/74/1327799374.db2.gz JKRLREYEBQINDA-PXNSSMCTSA-N 2 2 333.520 3.294 10 10 EGCELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000863327510 1329546743 /nfs/dbraw/zinc/54/67/43/1329546743.db2.gz LVPYDHBUXCGQQM-UHFFFAOYSA-N 2 2 332.488 3.086 10 10 EGCELP CCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812618 454638541 /nfs/dbraw/zinc/63/85/41/454638541.db2.gz GOEYYWVYBLTSJZ-OAHLLOKOSA-N 2 2 327.428 3.120 10 10 EGCELP CCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812618 454638546 /nfs/dbraw/zinc/63/85/46/454638546.db2.gz GOEYYWVYBLTSJZ-OAHLLOKOSA-N 2 2 327.428 3.120 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213604 458718099 /nfs/dbraw/zinc/71/80/99/458718099.db2.gz ATNIGUDISBYYFT-HZMBPMFUSA-N 2 2 325.250 3.090 10 10 EGCELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000862536217 1329493579 /nfs/dbraw/zinc/49/35/79/1329493579.db2.gz INLXNNJQFUMAIQ-UHFFFAOYSA-N 2 2 345.531 3.138 10 10 EGCELP COc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1O ZINC000742387671 576777786 /nfs/dbraw/zinc/77/77/86/576777786.db2.gz IUBFBBPRRSGDFK-KRWDZBQOSA-N 2 2 337.423 3.208 10 10 EGCELP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000236614949 1296191455 /nfs/dbraw/zinc/19/14/55/1296191455.db2.gz ZAMCTEVOGBRTMX-MRXNPFEDSA-N 2 2 339.277 3.120 10 10 EGCELP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485128 1329557618 /nfs/dbraw/zinc/55/76/18/1329557618.db2.gz VBOFKIMIRZTNHW-MAUKXSAKSA-N 2 2 326.440 3.201 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1OC ZINC000527804731 459741469 /nfs/dbraw/zinc/74/14/69/459741469.db2.gz AKRRLMKGQSIBJG-LJQANCHMSA-N 2 2 332.488 3.338 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1OC ZINC000527804731 459741471 /nfs/dbraw/zinc/74/14/71/459741471.db2.gz AKRRLMKGQSIBJG-LJQANCHMSA-N 2 2 332.488 3.338 10 10 EGCELP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ncco1 ZINC000925677938 1325259628 /nfs/dbraw/zinc/25/96/28/1325259628.db2.gz RJJMCJYVVJNJIV-INIZCTEOSA-N 2 2 340.471 3.057 10 10 EGCELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248797 1329471012 /nfs/dbraw/zinc/47/10/12/1329471012.db2.gz SEADOZBPZXGHCY-SWLSCSKDSA-N 2 2 341.293 3.317 10 10 EGCELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248797 1329471013 /nfs/dbraw/zinc/47/10/13/1329471013.db2.gz SEADOZBPZXGHCY-SWLSCSKDSA-N 2 2 341.293 3.317 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000190470538 455326238 /nfs/dbraw/zinc/32/62/38/455326238.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000190470538 455326243 /nfs/dbraw/zinc/32/62/43/455326243.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000190470538 455326247 /nfs/dbraw/zinc/32/62/47/455326247.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000190470538 455326251 /nfs/dbraw/zinc/32/62/51/455326251.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 2 2 345.512 3.419 10 10 EGCELP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000282729260 456605280 /nfs/dbraw/zinc/60/52/80/456605280.db2.gz MDWUDDRDAIDIGS-MRXNPFEDSA-N 2 2 341.455 3.313 10 10 EGCELP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000282729260 456605291 /nfs/dbraw/zinc/60/52/91/456605291.db2.gz MDWUDDRDAIDIGS-MRXNPFEDSA-N 2 2 341.455 3.313 10 10 EGCELP CCOc1ccc(O)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110954 1309194684 /nfs/dbraw/zinc/19/46/84/1309194684.db2.gz FFVMYYGZVIZKSQ-QAQDUYKDSA-N 2 2 341.455 3.462 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1O ZINC000185473582 455562742 /nfs/dbraw/zinc/56/27/42/455562742.db2.gz MWEQBOKLJBJNGG-VCBZYWHSSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1O ZINC000185473582 455562745 /nfs/dbraw/zinc/56/27/45/455562745.db2.gz MWEQBOKLJBJNGG-VCBZYWHSSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218315 458721930 /nfs/dbraw/zinc/72/19/30/458721930.db2.gz VWSNLHJPDSURCU-ZANVPECISA-N 2 2 343.240 3.229 10 10 EGCELP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1O ZINC000925790405 1325302683 /nfs/dbraw/zinc/30/26/83/1325302683.db2.gz FUTWLFZHNZOGKZ-NVXWUHKLSA-N 2 2 340.467 3.355 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)ccc1OC ZINC000084802763 454011235 /nfs/dbraw/zinc/01/12/35/454011235.db2.gz GVKXNSQXWJOQEJ-MRXNPFEDSA-N 2 2 329.444 3.095 10 10 EGCELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CCO1 ZINC000151996523 455059032 /nfs/dbraw/zinc/05/90/32/455059032.db2.gz TXGWMHGWAURPMY-INIZCTEOSA-N 2 2 340.467 3.231 10 10 EGCELP C[C@H]1C[N@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CCO1 ZINC000151996523 455059034 /nfs/dbraw/zinc/05/90/34/455059034.db2.gz TXGWMHGWAURPMY-INIZCTEOSA-N 2 2 340.467 3.231 10 10 EGCELP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000742377355 576776206 /nfs/dbraw/zinc/77/62/06/576776206.db2.gz BHVVXZHZSREUSY-UHFFFAOYSA-N 2 2 325.456 3.217 10 10 EGCELP Oc1cccc(Br)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000706842364 1298223538 /nfs/dbraw/zinc/22/35/38/1298223538.db2.gz CEABOYDAIZCTLY-LBPRGKRZSA-N 2 2 339.277 3.119 10 10 EGCELP Oc1cccc(Br)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000706842364 1298223549 /nfs/dbraw/zinc/22/35/49/1298223549.db2.gz CEABOYDAIZCTLY-LBPRGKRZSA-N 2 2 339.277 3.119 10 10 EGCELP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863546613 1329562505 /nfs/dbraw/zinc/56/25/05/1329562505.db2.gz LQPKQFXOYMGJKJ-NTZNESFSSA-N 2 2 327.266 3.254 10 10 EGCELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2O)C1 ZINC000190485677 455328949 /nfs/dbraw/zinc/32/89/49/455328949.db2.gz UDRRAUPNRWWBLF-INIZCTEOSA-N 2 2 345.874 3.395 10 10 EGCELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2O)C1 ZINC000190485677 455328953 /nfs/dbraw/zinc/32/89/53/455328953.db2.gz UDRRAUPNRWWBLF-INIZCTEOSA-N 2 2 345.874 3.395 10 10 EGCELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190485677 455328958 /nfs/dbraw/zinc/32/89/58/455328958.db2.gz UDRRAUPNRWWBLF-INIZCTEOSA-N 2 2 345.874 3.395 10 10 EGCELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190485677 455328962 /nfs/dbraw/zinc/32/89/62/455328962.db2.gz UDRRAUPNRWWBLF-INIZCTEOSA-N 2 2 345.874 3.395 10 10 EGCELP CN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490658 455331611 /nfs/dbraw/zinc/33/16/11/455331611.db2.gz VHOWHSZUMSJQHW-HXUWFJFHSA-N 2 2 338.499 3.102 10 10 EGCELP CN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490658 455331614 /nfs/dbraw/zinc/33/16/14/455331614.db2.gz VHOWHSZUMSJQHW-HXUWFJFHSA-N 2 2 338.499 3.102 10 10 EGCELP CN(C)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490658 455331617 /nfs/dbraw/zinc/33/16/17/455331617.db2.gz VHOWHSZUMSJQHW-HXUWFJFHSA-N 2 2 338.499 3.102 10 10 EGCELP CN(C)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490658 455331618 /nfs/dbraw/zinc/33/16/18/455331618.db2.gz VHOWHSZUMSJQHW-HXUWFJFHSA-N 2 2 338.499 3.102 10 10 EGCELP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1O ZINC000184686894 455427983 /nfs/dbraw/zinc/42/79/83/455427983.db2.gz TUJYMLVAHAYELV-CYBMUJFWSA-N 2 2 347.846 3.383 10 10 EGCELP COc1cc(Cl)cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1O ZINC000184686894 455427987 /nfs/dbraw/zinc/42/79/87/455427987.db2.gz TUJYMLVAHAYELV-CYBMUJFWSA-N 2 2 347.846 3.383 10 10 EGCELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1O ZINC000368103814 458010289 /nfs/dbraw/zinc/01/02/89/458010289.db2.gz YWIDCRYXAIQGJD-KOLCDFICSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1O ZINC000368103814 458010295 /nfs/dbraw/zinc/01/02/95/458010295.db2.gz YWIDCRYXAIQGJD-KOLCDFICSA-N 2 2 336.233 3.086 10 10 EGCELP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790994 1325302791 /nfs/dbraw/zinc/30/27/91/1325302791.db2.gz JWXZBXCYTINSCV-HOCLYGCPSA-N 2 2 338.879 3.245 10 10 EGCELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1O ZINC000368103815 458009760 /nfs/dbraw/zinc/00/97/60/458009760.db2.gz YWIDCRYXAIQGJD-MWLCHTKSSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)cc1O ZINC000368103815 458009765 /nfs/dbraw/zinc/00/97/65/458009765.db2.gz YWIDCRYXAIQGJD-MWLCHTKSSA-N 2 2 336.233 3.086 10 10 EGCELP Cc1cc(Cl)cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1O ZINC000529664575 459833362 /nfs/dbraw/zinc/83/33/62/459833362.db2.gz RLIUNWLSQAEZOL-UHFFFAOYSA-N 2 2 338.879 3.041 10 10 EGCELP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218309 458722188 /nfs/dbraw/zinc/72/21/88/458722188.db2.gz VWSNLHJPDSURCU-RNCFNFMXSA-N 2 2 343.240 3.229 10 10 EGCELP CCOc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC000895111038 1309195476 /nfs/dbraw/zinc/19/54/76/1309195476.db2.gz IWQVYZHEBSFWMP-QAQDUYKDSA-N 2 2 341.455 3.462 10 10 EGCELP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858221073 1328714429 /nfs/dbraw/zinc/71/44/29/1328714429.db2.gz AOSAARIRROYZJR-NRFANRHFSA-N 2 2 343.515 3.020 10 10 EGCELP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858221073 1328714434 /nfs/dbraw/zinc/71/44/34/1328714434.db2.gz AOSAARIRROYZJR-NRFANRHFSA-N 2 2 343.515 3.020 10 10 EGCELP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925478058 1325167385 /nfs/dbraw/zinc/16/73/85/1325167385.db2.gz SMFNMRVGFKFKGI-GOSISDBHSA-N 2 2 331.529 3.004 10 10 EGCELP Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CC[NH+](C)CC3)c(F)c2)cs1 ZINC000065519383 454583158 /nfs/dbraw/zinc/58/31/58/454583158.db2.gz ZOKILEOXROLBSD-ZDUSSCGKSA-N 2 2 348.491 3.193 10 10 EGCELP Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178855 458710060 /nfs/dbraw/zinc/71/00/60/458710060.db2.gz RTWQWVMVCIEWAE-FQEVSTJZSA-N 2 2 338.451 3.345 10 10 EGCELP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000872252793 1296854251 /nfs/dbraw/zinc/85/42/51/1296854251.db2.gz VRQIQSCXGRZWFC-LBPRGKRZSA-N 2 2 327.266 3.023 10 10 EGCELP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547608 1329562474 /nfs/dbraw/zinc/56/24/74/1329562474.db2.gz QSARJPNHKHMSIM-SUHUHFCYSA-N 2 2 327.266 3.336 10 10 EGCELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000925775285 1325295177 /nfs/dbraw/zinc/29/51/77/1325295177.db2.gz FKODTZAIMSVBDU-VHSXEESVSA-N 2 2 338.320 3.306 10 10 EGCELP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cc(Br)ccc1O ZINC000863543182 1329561862 /nfs/dbraw/zinc/56/18/62/1329561862.db2.gz LQDYVOBMGBDIKX-HZSPNIEDSA-N 2 2 327.266 3.336 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000190458146 455321520 /nfs/dbraw/zinc/32/15/20/455321520.db2.gz FDWQEKAVVVPNOY-INIZCTEOSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000190458146 455321525 /nfs/dbraw/zinc/32/15/25/455321525.db2.gz FDWQEKAVVVPNOY-INIZCTEOSA-N 2 2 345.512 3.419 10 10 EGCELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653147 455477494 /nfs/dbraw/zinc/47/74/94/455477494.db2.gz AOPUMNUKXKRPRP-INIZCTEOSA-N 2 2 345.418 3.330 10 10 EGCELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653147 455477499 /nfs/dbraw/zinc/47/74/99/455477499.db2.gz AOPUMNUKXKRPRP-INIZCTEOSA-N 2 2 345.418 3.330 10 10 EGCELP CCc1cccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)c1O ZINC000862536116 1329493537 /nfs/dbraw/zinc/49/35/37/1329493537.db2.gz GGFHJUWGPMFZEO-UHFFFAOYSA-N 2 2 332.488 3.031 10 10 EGCELP Oc1cccc(Br)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000706842363 1298223164 /nfs/dbraw/zinc/22/31/64/1298223164.db2.gz CEABOYDAIZCTLY-GFCCVEGCSA-N 2 2 339.277 3.119 10 10 EGCELP Oc1cccc(Br)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000706842363 1298223177 /nfs/dbraw/zinc/22/31/77/1298223177.db2.gz CEABOYDAIZCTLY-GFCCVEGCSA-N 2 2 339.277 3.119 10 10 EGCELP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922951419 1322658681 /nfs/dbraw/zinc/65/86/81/1322658681.db2.gz NYOCYGABHCLOHZ-OAQYLSRUSA-N 2 2 343.515 3.020 10 10 EGCELP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922951419 1322658682 /nfs/dbraw/zinc/65/86/82/1322658682.db2.gz NYOCYGABHCLOHZ-OAQYLSRUSA-N 2 2 343.515 3.020 10 10 EGCELP Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cc(N)cc[nH+]2)c1O ZINC000925768451 1325292501 /nfs/dbraw/zinc/29/25/01/1325292501.db2.gz UWRZMDWLFMEUFY-JTQLQIEISA-N 2 2 336.233 3.291 10 10 EGCELP CCO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C[NH+](C)C ZINC000926961512 1327799443 /nfs/dbraw/zinc/79/94/43/1327799443.db2.gz JKRLREYEBQINDA-FXAWDEMLSA-N 2 2 333.520 3.294 10 10 EGCELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000093643632 454725963 /nfs/dbraw/zinc/72/59/63/454725963.db2.gz UIHQMVVLLSKSJG-RISCZKNCSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@H+]1C ZINC000093643632 454725968 /nfs/dbraw/zinc/72/59/68/454725968.db2.gz UIHQMVVLLSKSJG-RISCZKNCSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643632 454725973 /nfs/dbraw/zinc/72/59/73/454725973.db2.gz UIHQMVVLLSKSJG-RISCZKNCSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643632 454725976 /nfs/dbraw/zinc/72/59/76/454725976.db2.gz UIHQMVVLLSKSJG-RISCZKNCSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795391 1325305162 /nfs/dbraw/zinc/30/51/62/1325305162.db2.gz XOKRVTPBJQXTOW-YJBOKZPZSA-N 2 2 344.499 3.080 10 10 EGCELP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1O ZINC000925882525 1325342464 /nfs/dbraw/zinc/34/24/64/1325342464.db2.gz OEFXXSOGIRGAOJ-BBBLOLIVSA-N 2 2 331.229 3.072 10 10 EGCELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248796 1329470749 /nfs/dbraw/zinc/47/07/49/1329470749.db2.gz SEADOZBPZXGHCY-IUODEOHRSA-N 2 2 341.293 3.317 10 10 EGCELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248796 1329470750 /nfs/dbraw/zinc/47/07/50/1329470750.db2.gz SEADOZBPZXGHCY-IUODEOHRSA-N 2 2 341.293 3.317 10 10 EGCELP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830208 1371097564 /nfs/dbraw/zinc/09/75/64/1371097564.db2.gz ANGNZHZTKSKDRE-UTSMFGRCSA-N 2 2 338.499 3.454 10 10 EGCELP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830208 1371097569 /nfs/dbraw/zinc/09/75/69/1371097569.db2.gz ANGNZHZTKSKDRE-UTSMFGRCSA-N 2 2 338.499 3.454 10 10 EGCELP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000122938595 454584817 /nfs/dbraw/zinc/58/48/17/454584817.db2.gz WGRVHWFNGLJEKX-INIZCTEOSA-N 2 2 329.444 3.387 10 10 EGCELP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000122938595 454584821 /nfs/dbraw/zinc/58/48/21/454584821.db2.gz WGRVHWFNGLJEKX-INIZCTEOSA-N 2 2 329.444 3.387 10 10 EGCELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000093643630 454725847 /nfs/dbraw/zinc/72/58/47/454725847.db2.gz UIHQMVVLLSKSJG-BXUZGUMPSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2O)CC[N@H+]1C ZINC000093643630 454725851 /nfs/dbraw/zinc/72/58/51/454725851.db2.gz UIHQMVVLLSKSJG-BXUZGUMPSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643630 454725855 /nfs/dbraw/zinc/72/58/55/454725855.db2.gz UIHQMVVLLSKSJG-BXUZGUMPSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2O)CC[NH+]1C ZINC000093643630 454725860 /nfs/dbraw/zinc/72/58/60/454725860.db2.gz UIHQMVVLLSKSJG-BXUZGUMPSA-N 2 2 327.266 3.069 10 10 EGCELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CCO1 ZINC000151996456 455059135 /nfs/dbraw/zinc/05/91/35/455059135.db2.gz TXGWMHGWAURPMY-MRXNPFEDSA-N 2 2 340.467 3.231 10 10 EGCELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CCO1 ZINC000151996456 455059137 /nfs/dbraw/zinc/05/91/37/455059137.db2.gz TXGWMHGWAURPMY-MRXNPFEDSA-N 2 2 340.467 3.231 10 10 EGCELP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000925803000 1325307283 /nfs/dbraw/zinc/30/72/83/1325307283.db2.gz LRMAZIPZUNILRD-GMTAPVOTSA-N 2 2 345.256 3.190 10 10 EGCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000863484110 1329557632 /nfs/dbraw/zinc/55/76/32/1329557632.db2.gz UECSNFXFRXUPNQ-RBUKOAKNSA-N 2 2 326.440 3.201 10 10 EGCELP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218306 458721394 /nfs/dbraw/zinc/72/13/94/458721394.db2.gz VWSNLHJPDSURCU-NOZJJQNGSA-N 2 2 343.240 3.229 10 10 EGCELP Cc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1O ZINC000190492125 455331740 /nfs/dbraw/zinc/33/17/40/455331740.db2.gz WNNJHSULCVJEOA-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1O ZINC000190492125 455331745 /nfs/dbraw/zinc/33/17/45/455331745.db2.gz WNNJHSULCVJEOA-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190492125 455331748 /nfs/dbraw/zinc/33/17/48/455331748.db2.gz WNNJHSULCVJEOA-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190492125 455331750 /nfs/dbraw/zinc/33/17/50/455331750.db2.gz WNNJHSULCVJEOA-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000191211355 455464404 /nfs/dbraw/zinc/46/44/04/455464404.db2.gz FKWXUJJBPGBFSR-LLVKDONJSA-N 2 2 344.365 3.410 10 10 EGCELP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000282729256 456605505 /nfs/dbraw/zinc/60/55/05/456605505.db2.gz MDWUDDRDAIDIGS-INIZCTEOSA-N 2 2 341.455 3.313 10 10 EGCELP COc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1O ZINC000282729256 456605508 /nfs/dbraw/zinc/60/55/08/456605508.db2.gz MDWUDDRDAIDIGS-INIZCTEOSA-N 2 2 341.455 3.313 10 10 EGCELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248795 1329470786 /nfs/dbraw/zinc/47/07/86/1329470786.db2.gz SEADOZBPZXGHCY-DOMZBBRYSA-N 2 2 341.293 3.317 10 10 EGCELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(O)cccc2Br)[C@H](C)C1 ZINC000862248795 1329470785 /nfs/dbraw/zinc/47/07/85/1329470785.db2.gz SEADOZBPZXGHCY-DOMZBBRYSA-N 2 2 341.293 3.317 10 10 EGCELP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000177372432 454857236 /nfs/dbraw/zinc/85/72/36/454857236.db2.gz LUWRNYUTDHWXCO-INIZCTEOSA-N 2 2 347.846 3.418 10 10 EGCELP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000177372432 454857239 /nfs/dbraw/zinc/85/72/39/454857239.db2.gz LUWRNYUTDHWXCO-INIZCTEOSA-N 2 2 347.846 3.418 10 10 EGCELP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc2ccccc2c1O ZINC000925844053 1325325014 /nfs/dbraw/zinc/32/50/14/1325325014.db2.gz IXYGADWDUBNFEO-QGZVFWFLSA-N 2 2 341.499 3.272 10 10 EGCELP Oc1ccc(Cl)c(F)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000190767250 455380350 /nfs/dbraw/zinc/38/03/50/455380350.db2.gz HKNYGSMMKBWYCD-UHFFFAOYSA-N 2 2 335.810 3.338 10 10 EGCELP Cc1cc(Cl)cc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000179785330 455079467 /nfs/dbraw/zinc/07/94/67/455079467.db2.gz FDINCTGFIGTRDL-AWEZNQCLSA-N 2 2 338.879 3.039 10 10 EGCELP Cc1cc(Cl)cc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1O ZINC000179785330 455079470 /nfs/dbraw/zinc/07/94/70/455079470.db2.gz FDINCTGFIGTRDL-AWEZNQCLSA-N 2 2 338.879 3.039 10 10 EGCELP Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cc(N)cc[nH+]2)c1O ZINC000925768452 1325291742 /nfs/dbraw/zinc/29/17/42/1325291742.db2.gz UWRZMDWLFMEUFY-SNVBAGLBSA-N 2 2 336.233 3.291 10 10 EGCELP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793226 1325304286 /nfs/dbraw/zinc/30/42/86/1325304286.db2.gz RHYIJKCSFWMMRM-HIFRSBDPSA-N 2 2 338.879 3.163 10 10 EGCELP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485129 1329557698 /nfs/dbraw/zinc/55/76/98/1329557698.db2.gz VBOFKIMIRZTNHW-QAPCUYQASA-N 2 2 326.440 3.201 10 10 EGCELP Cc1ccc(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190473154 455327374 /nfs/dbraw/zinc/32/73/74/455327374.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1ccc(O)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190473154 455327380 /nfs/dbraw/zinc/32/73/80/455327380.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190473154 455327384 /nfs/dbraw/zinc/32/73/84/455327384.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190473154 455327393 /nfs/dbraw/zinc/32/73/93/455327393.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ncco1 ZINC000925677939 1325259174 /nfs/dbraw/zinc/25/91/74/1325259174.db2.gz RJJMCJYVVJNJIV-MRXNPFEDSA-N 2 2 340.471 3.057 10 10 EGCELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000925775286 1325295882 /nfs/dbraw/zinc/29/58/82/1325295882.db2.gz FKODTZAIMSVBDU-ZJUUUORDSA-N 2 2 338.320 3.306 10 10 EGCELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862536608 1329493788 /nfs/dbraw/zinc/49/37/88/1329493788.db2.gz QCLSLMBSXOZUIP-SFHVURJKSA-N 2 2 326.440 3.155 10 10 EGCELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862536608 1329493789 /nfs/dbraw/zinc/49/37/89/1329493789.db2.gz QCLSLMBSXOZUIP-SFHVURJKSA-N 2 2 326.440 3.155 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190469094 455326093 /nfs/dbraw/zinc/32/60/93/455326093.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 2 2 349.475 3.250 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190469094 455326096 /nfs/dbraw/zinc/32/60/96/455326096.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 2 2 349.475 3.250 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190469094 455326098 /nfs/dbraw/zinc/32/60/98/455326098.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 2 2 349.475 3.250 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190469094 455326099 /nfs/dbraw/zinc/32/60/99/455326099.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 2 2 349.475 3.250 10 10 EGCELP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1O ZINC000267354004 455545023 /nfs/dbraw/zinc/54/50/23/455545023.db2.gz GMSKXBFBCZQSHF-UHFFFAOYSA-N 2 2 333.819 3.351 10 10 EGCELP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000184702756 455431645 /nfs/dbraw/zinc/43/16/45/455431645.db2.gz GIRZTCJHPAKNDI-WFASDCNBSA-N 2 2 335.835 3.334 10 10 EGCELP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000184702756 455431651 /nfs/dbraw/zinc/43/16/51/455431651.db2.gz GIRZTCJHPAKNDI-WFASDCNBSA-N 2 2 335.835 3.334 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000926610706 1327634165 /nfs/dbraw/zinc/63/41/65/1327634165.db2.gz FKEYJRLYPCPFIC-QMMLZNLJSA-N 2 2 343.515 3.128 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000926610706 1327634174 /nfs/dbraw/zinc/63/41/74/1327634174.db2.gz FKEYJRLYPCPFIC-QMMLZNLJSA-N 2 2 343.515 3.128 10 10 EGCELP c1csc(SCCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000095968170 454242853 /nfs/dbraw/zinc/24/28/53/454242853.db2.gz QRLSHQHAGZBASR-UHFFFAOYSA-N 2 2 334.514 3.279 10 10 EGCELP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215195 458719833 /nfs/dbraw/zinc/71/98/33/458719833.db2.gz FAXLNEYKWWSCPG-QMTHXVAHSA-N 2 2 325.250 3.090 10 10 EGCELP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922951417 1322657975 /nfs/dbraw/zinc/65/79/75/1322657975.db2.gz NYOCYGABHCLOHZ-NRFANRHFSA-N 2 2 343.515 3.020 10 10 EGCELP c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922951417 1322657978 /nfs/dbraw/zinc/65/79/78/1322657978.db2.gz NYOCYGABHCLOHZ-NRFANRHFSA-N 2 2 343.515 3.020 10 10 EGCELP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795389 1325304346 /nfs/dbraw/zinc/30/43/46/1325304346.db2.gz XOKRVTPBJQXTOW-MAUKXSAKSA-N 2 2 344.499 3.080 10 10 EGCELP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000925887221 1325344538 /nfs/dbraw/zinc/34/45/38/1325344538.db2.gz VRLWBZYVGLWYKC-PEELUZDISA-N 2 2 332.394 3.380 10 10 EGCELP CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1O ZINC000122882419 454578982 /nfs/dbraw/zinc/57/89/82/454578982.db2.gz UBJWWGNSSLHJMM-MRXNPFEDSA-N 2 2 329.444 3.387 10 10 EGCELP CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1O ZINC000122882419 454578985 /nfs/dbraw/zinc/57/89/85/454578985.db2.gz UBJWWGNSSLHJMM-MRXNPFEDSA-N 2 2 329.444 3.387 10 10 EGCELP CCOc1ccc(O)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000124375426 454726142 /nfs/dbraw/zinc/72/61/42/454726142.db2.gz AAMAIBAJOWLAOK-UHFFFAOYSA-N 2 2 339.439 3.400 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1O ZINC000185472858 455562770 /nfs/dbraw/zinc/56/27/70/455562770.db2.gz RMFFRMIVBBJUTO-VCBZYWHSSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1O ZINC000185472858 455562773 /nfs/dbraw/zinc/56/27/73/455562773.db2.gz RMFFRMIVBBJUTO-VCBZYWHSSA-N 2 2 343.446 3.488 10 10 EGCELP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273461045 456232121 /nfs/dbraw/zinc/23/21/21/456232121.db2.gz CSXUYOFNLPFQQA-LBPRGKRZSA-N 2 2 347.390 3.352 10 10 EGCELP CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1O ZINC000375788769 458064975 /nfs/dbraw/zinc/06/49/75/458064975.db2.gz JUAQQSILSNGWDT-MRXNPFEDSA-N 2 2 326.375 3.353 10 10 EGCELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742387053 576777612 /nfs/dbraw/zinc/77/76/12/576777612.db2.gz CWXYHBDWLLVUIF-LJQANCHMSA-N 2 2 333.435 3.429 10 10 EGCELP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793233 1325303547 /nfs/dbraw/zinc/30/35/47/1325303547.db2.gz RHYIJKCSFWMMRM-UKRRQHHQSA-N 2 2 338.879 3.163 10 10 EGCELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249130 1329471029 /nfs/dbraw/zinc/47/10/29/1329471029.db2.gz WZKGKBYSNCXERJ-CXAGYDPISA-N 2 2 325.447 3.193 10 10 EGCELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249130 1329471030 /nfs/dbraw/zinc/47/10/30/1329471030.db2.gz WZKGKBYSNCXERJ-CXAGYDPISA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249130 1329471031 /nfs/dbraw/zinc/47/10/31/1329471031.db2.gz WZKGKBYSNCXERJ-CXAGYDPISA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249130 1329471033 /nfs/dbraw/zinc/47/10/33/1329471033.db2.gz WZKGKBYSNCXERJ-CXAGYDPISA-N 2 2 325.447 3.193 10 10 EGCELP Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863546611 1329562214 /nfs/dbraw/zinc/56/22/14/1329562214.db2.gz LQPKQFXOYMGJKJ-GVXVVHGQSA-N 2 2 327.266 3.254 10 10 EGCELP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000863643755 1329570133 /nfs/dbraw/zinc/57/01/33/1329570133.db2.gz VNXPNAMVJYXTPX-HNNXBMFYSA-N 2 2 327.394 3.146 10 10 EGCELP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000863643756 1329570318 /nfs/dbraw/zinc/57/03/18/1329570318.db2.gz VNXPNAMVJYXTPX-OAHLLOKOSA-N 2 2 327.394 3.146 10 10 EGCELP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213606 458717897 /nfs/dbraw/zinc/71/78/97/458717897.db2.gz ATNIGUDISBYYFT-QMTHXVAHSA-N 2 2 325.250 3.090 10 10 EGCELP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1O ZINC000925883470 1325341526 /nfs/dbraw/zinc/34/15/26/1325341526.db2.gz WPRYZZSEZLEQNM-NGZCFLSTSA-N 2 2 331.229 3.072 10 10 EGCELP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1O ZINC000925790403 1325303080 /nfs/dbraw/zinc/30/30/80/1325303080.db2.gz FUTWLFZHNZOGKZ-DOTOQJQBSA-N 2 2 340.467 3.355 10 10 EGCELP Cc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1O ZINC000190492150 455331277 /nfs/dbraw/zinc/33/12/77/455331277.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1O ZINC000190492150 455331284 /nfs/dbraw/zinc/33/12/84/455331284.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190492150 455331287 /nfs/dbraw/zinc/33/12/87/455331287.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190492150 455331292 /nfs/dbraw/zinc/33/12/92/455331292.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 2 2 325.456 3.050 10 10 EGCELP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000248862079 455735350 /nfs/dbraw/zinc/73/53/50/455735350.db2.gz GIRZTCJHPAKNDI-SWLSCSKDSA-N 2 2 335.835 3.334 10 10 EGCELP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000248862079 455735353 /nfs/dbraw/zinc/73/53/53/455735353.db2.gz GIRZTCJHPAKNDI-SWLSCSKDSA-N 2 2 335.835 3.334 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc(F)c1O ZINC000530218311 458721820 /nfs/dbraw/zinc/72/18/20/458721820.db2.gz VWSNLHJPDSURCU-TVQRCGJNSA-N 2 2 343.240 3.229 10 10 EGCELP COc1cccc(O)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111538 1309195558 /nfs/dbraw/zinc/19/55/58/1309195558.db2.gz PWMXFIBADUGLBG-SHTZXODSSA-N 2 2 327.428 3.072 10 10 EGCELP Cc1ccc(O)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190473130 455327277 /nfs/dbraw/zinc/32/72/77/455327277.db2.gz FCXKUHLIHZXDMF-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1ccc(O)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190473130 455327279 /nfs/dbraw/zinc/32/72/79/455327279.db2.gz FCXKUHLIHZXDMF-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190473130 455327283 /nfs/dbraw/zinc/32/72/83/455327283.db2.gz FCXKUHLIHZXDMF-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190473130 455327286 /nfs/dbraw/zinc/32/72/86/455327286.db2.gz FCXKUHLIHZXDMF-GOSISDBHSA-N 2 2 325.456 3.050 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190468584 455326118 /nfs/dbraw/zinc/32/61/18/455326118.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 2 2 331.485 3.111 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2O)C1 ZINC000190468584 455326121 /nfs/dbraw/zinc/32/61/21/455326121.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 2 2 331.485 3.111 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190468584 455326123 /nfs/dbraw/zinc/32/61/23/455326123.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 2 2 331.485 3.111 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000190468584 455326125 /nfs/dbraw/zinc/32/61/25/455326125.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 2 2 331.485 3.111 10 10 EGCELP Oc1ccccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373485485 458506746 /nfs/dbraw/zinc/50/67/46/458506746.db2.gz OAEOLZIYYDHYED-UHFFFAOYSA-N 2 2 328.378 3.287 10 10 EGCELP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1O ZINC000530215196 458719743 /nfs/dbraw/zinc/71/97/43/458719743.db2.gz FAXLNEYKWWSCPG-YGRLFVJLSA-N 2 2 325.250 3.090 10 10 EGCELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795390 1325304205 /nfs/dbraw/zinc/30/42/05/1325304205.db2.gz XOKRVTPBJQXTOW-QAPCUYQASA-N 2 2 344.499 3.080 10 10 EGCELP Cc1nc(C[NH2+][C@H](C)c2ccc(N3CC[NH+](C)CC3)c(F)c2)cs1 ZINC000065519388 454583067 /nfs/dbraw/zinc/58/30/67/454583067.db2.gz ZOKILEOXROLBSD-CYBMUJFWSA-N 2 2 348.491 3.193 10 10 EGCELP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000122938389 454584240 /nfs/dbraw/zinc/58/42/40/454584240.db2.gz WGRVHWFNGLJEKX-MRXNPFEDSA-N 2 2 329.444 3.387 10 10 EGCELP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000122938389 454584244 /nfs/dbraw/zinc/58/42/44/454584244.db2.gz WGRVHWFNGLJEKX-MRXNPFEDSA-N 2 2 329.444 3.387 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000190458124 455321803 /nfs/dbraw/zinc/32/18/03/455321803.db2.gz FDWQEKAVVVPNOY-MRXNPFEDSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2O)C1 ZINC000190458124 455321809 /nfs/dbraw/zinc/32/18/09/455321809.db2.gz FDWQEKAVVVPNOY-MRXNPFEDSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356070 455595507 /nfs/dbraw/zinc/59/55/07/455595507.db2.gz IIZXRXCYOSNIMG-HXUWFJFHSA-N 2 2 340.467 3.081 10 10 EGCELP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356070 455595510 /nfs/dbraw/zinc/59/55/10/455595510.db2.gz IIZXRXCYOSNIMG-HXUWFJFHSA-N 2 2 340.467 3.081 10 10 EGCELP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790986 1325301613 /nfs/dbraw/zinc/30/16/13/1325301613.db2.gz JWXZBXCYTINSCV-GDBMZVCRSA-N 2 2 338.879 3.245 10 10 EGCELP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(Cl)c1O ZINC000925847737 1325327757 /nfs/dbraw/zinc/32/77/57/1325327757.db2.gz UYWCHLZKMHFKJK-KRWDZBQOSA-N 2 2 339.911 3.162 10 10 EGCELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249134 1329470718 /nfs/dbraw/zinc/47/07/18/1329470718.db2.gz WZKGKBYSNCXERJ-GUYCJALGSA-N 2 2 325.447 3.193 10 10 EGCELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249134 1329470720 /nfs/dbraw/zinc/47/07/20/1329470720.db2.gz WZKGKBYSNCXERJ-GUYCJALGSA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249134 1329470723 /nfs/dbraw/zinc/47/07/23/1329470723.db2.gz WZKGKBYSNCXERJ-GUYCJALGSA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249134 1329470724 /nfs/dbraw/zinc/47/07/24/1329470724.db2.gz WZKGKBYSNCXERJ-GUYCJALGSA-N 2 2 325.447 3.193 10 10 EGCELP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547606 1329562486 /nfs/dbraw/zinc/56/24/86/1329562486.db2.gz QSARJPNHKHMSIM-OSMZGAPFSA-N 2 2 327.266 3.336 10 10 EGCELP CCc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001187842730 1388175898 /nfs/dbraw/zinc/17/58/98/1388175898.db2.gz WBPNNUNVBMJWFX-SFHVURJKSA-N 2 2 341.503 3.382 10 10 EGCELP Cc1cc(O)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(Cl)c1 ZINC001350338723 1391450205 /nfs/dbraw/zinc/45/02/05/1391450205.db2.gz VICQXZDYRYYKRV-UHFFFAOYSA-N 2 2 338.879 3.087 10 10 EGCELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698217 455430608 /nfs/dbraw/zinc/43/06/08/455430608.db2.gz LWKOBDIIGBTLPZ-IUODEOHRSA-N 2 2 326.868 3.216 10 10 EGCELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698217 455430612 /nfs/dbraw/zinc/43/06/12/455430612.db2.gz LWKOBDIIGBTLPZ-IUODEOHRSA-N 2 2 326.868 3.216 10 10 EGCELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698217 455430616 /nfs/dbraw/zinc/43/06/16/455430616.db2.gz LWKOBDIIGBTLPZ-IUODEOHRSA-N 2 2 326.868 3.216 10 10 EGCELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698217 455430620 /nfs/dbraw/zinc/43/06/20/455430620.db2.gz LWKOBDIIGBTLPZ-IUODEOHRSA-N 2 2 326.868 3.216 10 10 EGCELP Oc1ccc(Br)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366276211 457804863 /nfs/dbraw/zinc/80/48/63/457804863.db2.gz YBXSOSPCOHAZHL-UHFFFAOYSA-N 2 2 339.277 3.261 10 10 EGCELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Br)ccc1O ZINC000368102875 458009667 /nfs/dbraw/zinc/00/96/67/458009667.db2.gz QGTNJRGRJSWWQA-MWLCHTKSSA-N 2 2 336.233 3.086 10 10 EGCELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Br)ccc1O ZINC000368102875 458009665 /nfs/dbraw/zinc/00/96/65/458009665.db2.gz QGTNJRGRJSWWQA-MWLCHTKSSA-N 2 2 336.233 3.086 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OC ZINC000527804730 459742310 /nfs/dbraw/zinc/74/23/10/459742310.db2.gz AKRRLMKGQSIBJG-IBGZPJMESA-N 2 2 332.488 3.338 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1OC ZINC000527804730 459742313 /nfs/dbraw/zinc/74/23/13/459742313.db2.gz AKRRLMKGQSIBJG-IBGZPJMESA-N 2 2 332.488 3.338 10 10 EGCELP COc1ccc(O)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110276 1309195622 /nfs/dbraw/zinc/19/56/22/1309195622.db2.gz GWYIFWDEDWHNRZ-WKILWMFISA-N 2 2 327.428 3.072 10 10 EGCELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000860029981 1329131194 /nfs/dbraw/zinc/13/11/94/1329131194.db2.gz HEKQQMWZWOQYGN-UHFFFAOYSA-N 2 2 345.531 3.138 10 10 EGCELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138550 455138728 /nfs/dbraw/zinc/13/87/28/455138728.db2.gz ISZKRFBUVQBDHC-HNNXBMFYSA-N 2 2 345.443 3.005 10 10 EGCELP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793238 1325303594 /nfs/dbraw/zinc/30/35/94/1325303594.db2.gz RHYIJKCSFWMMRM-ZFWWWQNUSA-N 2 2 338.879 3.163 10 10 EGCELP CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1O ZINC000122882633 454578899 /nfs/dbraw/zinc/57/88/99/454578899.db2.gz UBJWWGNSSLHJMM-INIZCTEOSA-N 2 2 329.444 3.387 10 10 EGCELP CCOc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1O ZINC000122882633 454578902 /nfs/dbraw/zinc/57/89/02/454578902.db2.gz UBJWWGNSSLHJMM-INIZCTEOSA-N 2 2 329.444 3.387 10 10 EGCELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1O ZINC000185115619 455504294 /nfs/dbraw/zinc/50/42/94/455504294.db2.gz RPCPOJJVMMZYSG-RYUDHWBXSA-N 2 2 347.286 3.196 10 10 EGCELP Oc1cccc(Br)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000706843036 1298224662 /nfs/dbraw/zinc/22/46/62/1298224662.db2.gz LVDDDQQFHCRPIT-INIZCTEOSA-N 2 2 339.277 3.120 10 10 EGCELP Oc1cccc(Br)c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000706843036 1298224670 /nfs/dbraw/zinc/22/46/70/1298224670.db2.gz LVDDDQQFHCRPIT-INIZCTEOSA-N 2 2 339.277 3.120 10 10 EGCELP Oc1ccc(Br)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376493815 458317512 /nfs/dbraw/zinc/31/75/12/458317512.db2.gz XJQWALGGHVUSKN-UHFFFAOYSA-N 2 2 336.233 3.257 10 10 EGCELP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1O ZINC000925882524 1325341540 /nfs/dbraw/zinc/34/15/40/1325341540.db2.gz OEFXXSOGIRGAOJ-AEJSXWLSSA-N 2 2 331.229 3.072 10 10 EGCELP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790990 1325303141 /nfs/dbraw/zinc/30/31/41/1325303141.db2.gz JWXZBXCYTINSCV-GOEBONIOSA-N 2 2 338.879 3.245 10 10 EGCELP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1O ZINC000925790408 1325303225 /nfs/dbraw/zinc/30/32/25/1325303225.db2.gz FUTWLFZHNZOGKZ-RDJZCZTQSA-N 2 2 340.467 3.355 10 10 EGCELP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000245609823 455339858 /nfs/dbraw/zinc/33/98/58/455339858.db2.gz NYGVZZAQFFFWRG-YVEFUNNKSA-N 2 2 331.391 3.014 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213605 458718403 /nfs/dbraw/zinc/71/84/03/458718403.db2.gz ATNIGUDISBYYFT-IINYFYTJSA-N 2 2 325.250 3.090 10 10 EGCELP Oc1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000706843043 1298223775 /nfs/dbraw/zinc/22/37/75/1298223775.db2.gz LVDDDQQFHCRPIT-MRXNPFEDSA-N 2 2 339.277 3.120 10 10 EGCELP Oc1cccc(Br)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000706843043 1298223782 /nfs/dbraw/zinc/22/37/82/1298223782.db2.gz LVDDDQQFHCRPIT-MRXNPFEDSA-N 2 2 339.277 3.120 10 10 EGCELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249135 1329470934 /nfs/dbraw/zinc/47/09/34/1329470934.db2.gz WZKGKBYSNCXERJ-SUMWQHHRSA-N 2 2 325.447 3.193 10 10 EGCELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249135 1329470935 /nfs/dbraw/zinc/47/09/35/1329470935.db2.gz WZKGKBYSNCXERJ-SUMWQHHRSA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249135 1329470937 /nfs/dbraw/zinc/47/09/37/1329470937.db2.gz WZKGKBYSNCXERJ-SUMWQHHRSA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862249135 1329470938 /nfs/dbraw/zinc/47/09/38/1329470938.db2.gz WZKGKBYSNCXERJ-SUMWQHHRSA-N 2 2 325.447 3.193 10 10 EGCELP Cc1cc(Cl)cc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1O ZINC000179785313 455079237 /nfs/dbraw/zinc/07/92/37/455079237.db2.gz FDINCTGFIGTRDL-CQSZACIVSA-N 2 2 338.879 3.039 10 10 EGCELP Cc1cc(Cl)cc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1O ZINC000179785313 455079241 /nfs/dbraw/zinc/07/92/41/455079241.db2.gz FDINCTGFIGTRDL-CQSZACIVSA-N 2 2 338.879 3.039 10 10 EGCELP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490683 455332112 /nfs/dbraw/zinc/33/21/12/455332112.db2.gz VHOWHSZUMSJQHW-FQEVSTJZSA-N 2 2 338.499 3.102 10 10 EGCELP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490683 455332116 /nfs/dbraw/zinc/33/21/16/455332116.db2.gz VHOWHSZUMSJQHW-FQEVSTJZSA-N 2 2 338.499 3.102 10 10 EGCELP CN(C)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490683 455332120 /nfs/dbraw/zinc/33/21/20/455332120.db2.gz VHOWHSZUMSJQHW-FQEVSTJZSA-N 2 2 338.499 3.102 10 10 EGCELP CN(C)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490683 455332123 /nfs/dbraw/zinc/33/21/23/455332123.db2.gz VHOWHSZUMSJQHW-FQEVSTJZSA-N 2 2 338.499 3.102 10 10 EGCELP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000248862075 455735433 /nfs/dbraw/zinc/73/54/33/455735433.db2.gz GIRZTCJHPAKNDI-IUODEOHRSA-N 2 2 335.835 3.334 10 10 EGCELP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1O ZINC000248862075 455735435 /nfs/dbraw/zinc/73/54/35/455735435.db2.gz GIRZTCJHPAKNDI-IUODEOHRSA-N 2 2 335.835 3.334 10 10 EGCELP COc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1O ZINC000742387673 576777833 /nfs/dbraw/zinc/77/78/33/576777833.db2.gz IUBFBBPRRSGDFK-QGZVFWFLSA-N 2 2 337.423 3.208 10 10 EGCELP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000858285408 1328729310 /nfs/dbraw/zinc/72/93/10/1328729310.db2.gz LJRUFNKDWCMOAH-HXUWFJFHSA-N 2 2 343.515 3.271 10 10 EGCELP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000858285408 1328729317 /nfs/dbraw/zinc/72/93/17/1328729317.db2.gz LJRUFNKDWCMOAH-HXUWFJFHSA-N 2 2 343.515 3.271 10 10 EGCELP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(Cl)c1O ZINC000925847738 1325327536 /nfs/dbraw/zinc/32/75/36/1325327536.db2.gz UYWCHLZKMHFKJK-QGZVFWFLSA-N 2 2 339.911 3.162 10 10 EGCELP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cc(Br)ccc1O ZINC000863543183 1329561953 /nfs/dbraw/zinc/56/19/53/1329561953.db2.gz LQDYVOBMGBDIKX-MELADBBJSA-N 2 2 327.266 3.336 10 10 EGCELP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000245754071 455373892 /nfs/dbraw/zinc/37/38/92/455373892.db2.gz HJLXZKVRWGRMDC-QAPCUYQASA-N 2 2 329.444 3.461 10 10 EGCELP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000245754071 455373896 /nfs/dbraw/zinc/37/38/96/455373896.db2.gz HJLXZKVRWGRMDC-QAPCUYQASA-N 2 2 329.444 3.461 10 10 EGCELP COc1ccc(N2CCC([NH2+]CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000156620612 455139455 /nfs/dbraw/zinc/13/94/55/455139455.db2.gz WILHVHXQEXCTTD-QGZVFWFLSA-N 2 2 331.504 3.128 10 10 EGCELP COc1ccc(N2CCC([NH2+]CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000156620612 455139458 /nfs/dbraw/zinc/13/94/58/455139458.db2.gz WILHVHXQEXCTTD-QGZVFWFLSA-N 2 2 331.504 3.128 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000248384282 455710089 /nfs/dbraw/zinc/71/00/89/455710089.db2.gz DHPKXFIATQNYQP-TXPKVOOTSA-N 2 2 325.456 3.348 10 10 EGCELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000248384282 455710093 /nfs/dbraw/zinc/71/00/93/455710093.db2.gz DHPKXFIATQNYQP-TXPKVOOTSA-N 2 2 325.456 3.348 10 10 EGCELP CC1([NH+]2CCOCC2)CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000529664518 459833083 /nfs/dbraw/zinc/83/30/83/459833083.db2.gz PTIOIDUMTAVXRF-UHFFFAOYSA-N 2 2 340.467 3.232 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000926610710 1327634118 /nfs/dbraw/zinc/63/41/18/1327634118.db2.gz FKEYJRLYPCPFIC-UIFIKXQLSA-N 2 2 343.515 3.128 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000926610710 1327634125 /nfs/dbraw/zinc/63/41/25/1327634125.db2.gz FKEYJRLYPCPFIC-UIFIKXQLSA-N 2 2 343.515 3.128 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000926610701 1327634788 /nfs/dbraw/zinc/63/47/88/1327634788.db2.gz FKEYJRLYPCPFIC-DUXKGJEZSA-N 2 2 343.515 3.128 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000926610701 1327634795 /nfs/dbraw/zinc/63/47/95/1327634795.db2.gz FKEYJRLYPCPFIC-DUXKGJEZSA-N 2 2 343.515 3.128 10 10 EGCELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C[NH+](C)C ZINC000926961516 1327798953 /nfs/dbraw/zinc/79/89/53/1327798953.db2.gz JKRLREYEBQINDA-XLIONFOSSA-N 2 2 333.520 3.294 10 10 EGCELP CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC000184728583 455437242 /nfs/dbraw/zinc/43/72/42/455437242.db2.gz LPUBVVQPFNWHDW-INIZCTEOSA-N 2 2 343.471 3.369 10 10 EGCELP CCCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC000184728583 455437247 /nfs/dbraw/zinc/43/72/47/455437247.db2.gz LPUBVVQPFNWHDW-INIZCTEOSA-N 2 2 343.471 3.369 10 10 EGCELP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000236615011 1296192030 /nfs/dbraw/zinc/19/20/30/1296192030.db2.gz ZAMCTEVOGBRTMX-INIZCTEOSA-N 2 2 339.277 3.120 10 10 EGCELP COc1cc(C)cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895111886 1309194779 /nfs/dbraw/zinc/19/47/79/1309194779.db2.gz ATFAUSZSAYOYQI-QAQDUYKDSA-N 2 2 341.455 3.381 10 10 EGCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000863543607 1329561910 /nfs/dbraw/zinc/56/19/10/1329561910.db2.gz SHWZZGNFLKOKAU-LEWSCRJBSA-N 2 2 327.266 3.254 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000089987048 454256038 /nfs/dbraw/zinc/25/60/38/454256038.db2.gz LBYYZKAHRBBQRA-KRWDZBQOSA-N 2 2 343.471 3.404 10 10 EGCELP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000184702737 455431389 /nfs/dbraw/zinc/43/13/89/455431389.db2.gz GIRZTCJHPAKNDI-DOMZBBRYSA-N 2 2 335.835 3.334 10 10 EGCELP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1O ZINC000184702737 455431393 /nfs/dbraw/zinc/43/13/93/455431393.db2.gz GIRZTCJHPAKNDI-DOMZBBRYSA-N 2 2 335.835 3.334 10 10 EGCELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653125 455477242 /nfs/dbraw/zinc/47/72/42/455477242.db2.gz AOPUMNUKXKRPRP-MRXNPFEDSA-N 2 2 345.418 3.330 10 10 EGCELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653125 455477245 /nfs/dbraw/zinc/47/72/45/455477245.db2.gz AOPUMNUKXKRPRP-MRXNPFEDSA-N 2 2 345.418 3.330 10 10 EGCELP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000119332316 1293265039 /nfs/dbraw/zinc/26/50/39/1293265039.db2.gz GZQUIOOFWOGBJW-UHFFFAOYSA-N 2 2 340.467 3.497 10 10 EGCELP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000119332316 1293265045 /nfs/dbraw/zinc/26/50/45/1293265045.db2.gz GZQUIOOFWOGBJW-UHFFFAOYSA-N 2 2 340.467 3.497 10 10 EGCELP C[NH+](C)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182997867 1295090555 /nfs/dbraw/zinc/09/05/55/1295090555.db2.gz OBYFYNTVMFVNQG-UHFFFAOYSA-N 2 2 340.467 3.497 10 10 EGCELP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485130 1329557779 /nfs/dbraw/zinc/55/77/79/1329557779.db2.gz VBOFKIMIRZTNHW-YJBOKZPZSA-N 2 2 326.440 3.201 10 10 EGCELP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830206 1371097464 /nfs/dbraw/zinc/09/74/64/1371097464.db2.gz ANGNZHZTKSKDRE-GJEJWFRCSA-N 2 2 338.499 3.454 10 10 EGCELP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001117830206 1371097470 /nfs/dbraw/zinc/09/74/70/1371097470.db2.gz ANGNZHZTKSKDRE-GJEJWFRCSA-N 2 2 338.499 3.454 10 10 EGCELP Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC000071825364 454226155 /nfs/dbraw/zinc/22/61/55/454226155.db2.gz UJHZCIPBAINJKB-OAHLLOKOSA-N 2 2 331.435 3.330 10 10 EGCELP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812856 454638634 /nfs/dbraw/zinc/63/86/34/454638634.db2.gz IQFOZTORZPUPIG-HNNXBMFYSA-N 2 2 327.428 3.120 10 10 EGCELP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812856 454638640 /nfs/dbraw/zinc/63/86/40/454638640.db2.gz IQFOZTORZPUPIG-HNNXBMFYSA-N 2 2 327.428 3.120 10 10 EGCELP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293739985 455796252 /nfs/dbraw/zinc/79/62/52/455796252.db2.gz XDCCUOBZVRRMHX-UHFFFAOYSA-N 2 2 344.858 3.164 10 10 EGCELP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1O ZINC000374208033 457523004 /nfs/dbraw/zinc/52/30/04/457523004.db2.gz KRJOZWAQFTUXNP-UHFFFAOYSA-N 2 2 333.819 3.351 10 10 EGCELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742387052 576777579 /nfs/dbraw/zinc/77/75/79/576777579.db2.gz CWXYHBDWLLVUIF-IBGZPJMESA-N 2 2 333.435 3.429 10 10 EGCELP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863546345 1329562373 /nfs/dbraw/zinc/56/23/73/1329562373.db2.gz LQPKQFXOYMGJKJ-GMXVVIOVSA-N 2 2 327.266 3.254 10 10 EGCELP CC[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cc(Cl)ccc1O ZINC000925842549 1325325443 /nfs/dbraw/zinc/32/54/43/1325325443.db2.gz ACJCPMOBOUOHNZ-QGZVFWFLSA-N 2 2 339.911 3.162 10 10 EGCELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000863543606 1329561981 /nfs/dbraw/zinc/56/19/81/1329561981.db2.gz SHWZZGNFLKOKAU-DDTOSNHZSA-N 2 2 327.266 3.254 10 10 EGCELP COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Cn1cc[nH+]c1 ZINC000009740740 211120768 /nfs/dbraw/zinc/12/07/68/211120768.db2.gz DFFKSSKZMLWTPS-UHFFFAOYSA-N 2 2 325.387 3.369 10 10 EGCELP CCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC000184728560 455437455 /nfs/dbraw/zinc/43/74/55/455437455.db2.gz LPUBVVQPFNWHDW-MRXNPFEDSA-N 2 2 343.471 3.369 10 10 EGCELP CCCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(O)c1 ZINC000184728560 455437461 /nfs/dbraw/zinc/43/74/61/455437461.db2.gz LPUBVVQPFNWHDW-MRXNPFEDSA-N 2 2 343.471 3.369 10 10 EGCELP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356076 455595337 /nfs/dbraw/zinc/59/53/37/455595337.db2.gz IIZXRXCYOSNIMG-FQEVSTJZSA-N 2 2 340.467 3.081 10 10 EGCELP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356076 455595340 /nfs/dbraw/zinc/59/53/40/455595340.db2.gz IIZXRXCYOSNIMG-FQEVSTJZSA-N 2 2 340.467 3.081 10 10 EGCELP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213607 458718361 /nfs/dbraw/zinc/71/83/61/458718361.db2.gz ATNIGUDISBYYFT-YGRLFVJLSA-N 2 2 325.250 3.090 10 10 EGCELP Cc1cc(O)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000529666337 459833333 /nfs/dbraw/zinc/83/33/33/459833333.db2.gz WWVHJLSRZGPVMO-UHFFFAOYSA-N 2 2 338.879 3.041 10 10 EGCELP COCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730817067 575023884 /nfs/dbraw/zinc/02/38/84/575023884.db2.gz FUMQUWCJVOAFQL-HXUWFJFHSA-N 2 2 341.499 3.213 10 10 EGCELP COCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730817067 575023887 /nfs/dbraw/zinc/02/38/87/575023887.db2.gz FUMQUWCJVOAFQL-HXUWFJFHSA-N 2 2 341.499 3.213 10 10 EGCELP [NH3+]CCC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708098434 1298235202 /nfs/dbraw/zinc/23/52/02/1298235202.db2.gz IBSVOBVETBENQN-UHFFFAOYSA-N 2 2 347.684 3.369 10 10 EGCELP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793222 1325303804 /nfs/dbraw/zinc/30/38/04/1325303804.db2.gz RHYIJKCSFWMMRM-DZGCQCFKSA-N 2 2 338.879 3.163 10 10 EGCELP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547607 1329562348 /nfs/dbraw/zinc/56/23/48/1329562348.db2.gz QSARJPNHKHMSIM-QKCSRTOESA-N 2 2 327.266 3.336 10 10 EGCELP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812855 454637409 /nfs/dbraw/zinc/63/74/09/454637409.db2.gz IQFOZTORZPUPIG-OAHLLOKOSA-N 2 2 327.428 3.120 10 10 EGCELP CCOc1ccc(O)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812855 454637416 /nfs/dbraw/zinc/63/74/16/454637416.db2.gz IQFOZTORZPUPIG-OAHLLOKOSA-N 2 2 327.428 3.120 10 10 EGCELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1O ZINC000925775283 1325295266 /nfs/dbraw/zinc/29/52/66/1325295266.db2.gz FKODTZAIMSVBDU-NXEZZACHSA-N 2 2 338.320 3.306 10 10 EGCELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1O ZINC000185115655 455503915 /nfs/dbraw/zinc/50/39/15/455503915.db2.gz RPCPOJJVMMZYSG-NWDGAFQWSA-N 2 2 347.286 3.196 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000926610703 1327634961 /nfs/dbraw/zinc/63/49/61/1327634961.db2.gz FKEYJRLYPCPFIC-JRGCBEDISA-N 2 2 343.515 3.128 10 10 EGCELP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000926610703 1327634968 /nfs/dbraw/zinc/63/49/68/1327634968.db2.gz FKEYJRLYPCPFIC-JRGCBEDISA-N 2 2 343.515 3.128 10 10 EGCELP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485127 1329557823 /nfs/dbraw/zinc/55/78/23/1329557823.db2.gz VBOFKIMIRZTNHW-CRAIPNDOSA-N 2 2 326.440 3.201 10 10 EGCELP CC[C@@H](c1cc(Br)ccc1O)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104354190 219377548 /nfs/dbraw/zinc/37/75/48/219377548.db2.gz XOFRIDYBAFPPBQ-OCCSQVGLSA-N 2 2 327.266 3.290 10 10 EGCELP CC[C@@H](c1cc(Br)ccc1O)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104354190 219377551 /nfs/dbraw/zinc/37/75/51/219377551.db2.gz XOFRIDYBAFPPBQ-OCCSQVGLSA-N 2 2 327.266 3.290 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000190470559 455325351 /nfs/dbraw/zinc/32/53/51/455325351.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2O)C1 ZINC000190470559 455325356 /nfs/dbraw/zinc/32/53/56/455325356.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000190470559 455325359 /nfs/dbraw/zinc/32/53/59/455325359.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 2 2 345.512 3.419 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000190470559 455325362 /nfs/dbraw/zinc/32/53/62/455325362.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 2 2 345.512 3.419 10 10 EGCELP Oc1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000294350527 455813002 /nfs/dbraw/zinc/81/30/02/455813002.db2.gz SNVXUKNOLCWIPJ-UHFFFAOYSA-N 2 2 349.837 3.334 10 10 EGCELP COCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730817066 575023666 /nfs/dbraw/zinc/02/36/66/575023666.db2.gz FUMQUWCJVOAFQL-FQEVSTJZSA-N 2 2 341.499 3.213 10 10 EGCELP COCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730817066 575023669 /nfs/dbraw/zinc/02/36/69/575023669.db2.gz FUMQUWCJVOAFQL-FQEVSTJZSA-N 2 2 341.499 3.213 10 10 EGCELP CCOCc1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)ccc1OC ZINC000084802762 454011001 /nfs/dbraw/zinc/01/10/01/454011001.db2.gz GVKXNSQXWJOQEJ-INIZCTEOSA-N 2 2 329.444 3.095 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000183517445 455302949 /nfs/dbraw/zinc/30/29/49/455302949.db2.gz DHPKXFIATQNYQP-GJYPPUQNSA-N 2 2 325.456 3.348 10 10 EGCELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000183517445 455302950 /nfs/dbraw/zinc/30/29/50/455302950.db2.gz DHPKXFIATQNYQP-GJYPPUQNSA-N 2 2 325.456 3.348 10 10 EGCELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698196 455430073 /nfs/dbraw/zinc/43/00/73/455430073.db2.gz LWKOBDIIGBTLPZ-DOMZBBRYSA-N 2 2 326.868 3.216 10 10 EGCELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698196 455430080 /nfs/dbraw/zinc/43/00/80/455430080.db2.gz LWKOBDIIGBTLPZ-DOMZBBRYSA-N 2 2 326.868 3.216 10 10 EGCELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698196 455430085 /nfs/dbraw/zinc/43/00/85/455430085.db2.gz LWKOBDIIGBTLPZ-DOMZBBRYSA-N 2 2 326.868 3.216 10 10 EGCELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)[C@H](C)C1 ZINC000184698196 455430088 /nfs/dbraw/zinc/43/00/88/455430088.db2.gz LWKOBDIIGBTLPZ-DOMZBBRYSA-N 2 2 326.868 3.216 10 10 EGCELP CCc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001187842729 1388176318 /nfs/dbraw/zinc/17/63/18/1388176318.db2.gz WBPNNUNVBMJWFX-GOSISDBHSA-N 2 2 341.503 3.382 10 10 EGCELP Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000263653362 456182447 /nfs/dbraw/zinc/18/24/47/456182447.db2.gz DUUFFDFNOTWSFH-UHFFFAOYSA-N 2 2 339.277 3.261 10 10 EGCELP Oc1ccc(Br)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271195005 456166357 /nfs/dbraw/zinc/16/63/57/456166357.db2.gz NXYKJLDOAKFUHV-UHFFFAOYSA-N 2 2 336.233 3.257 10 10 EGCELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1O ZINC000925790411 1325302614 /nfs/dbraw/zinc/30/26/14/1325302614.db2.gz FUTWLFZHNZOGKZ-WBVHZDCISA-N 2 2 340.467 3.355 10 10 EGCELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190469112 455325296 /nfs/dbraw/zinc/32/52/96/455325296.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 2 2 349.475 3.250 10 10 EGCELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190469112 455325301 /nfs/dbraw/zinc/32/53/01/455325301.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 2 2 349.475 3.250 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190469112 455325304 /nfs/dbraw/zinc/32/53/04/455325304.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 2 2 349.475 3.250 10 10 EGCELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190469112 455325307 /nfs/dbraw/zinc/32/53/07/455325307.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 2 2 349.475 3.250 10 10 EGCELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248798 1329470899 /nfs/dbraw/zinc/47/08/99/1329470899.db2.gz SEADOZBPZXGHCY-WFASDCNBSA-N 2 2 341.293 3.317 10 10 EGCELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(O)cccc2Br)[C@@H](C)C1 ZINC000862248798 1329470900 /nfs/dbraw/zinc/47/09/00/1329470900.db2.gz SEADOZBPZXGHCY-WFASDCNBSA-N 2 2 341.293 3.317 10 10 EGCELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000862535547 1329493503 /nfs/dbraw/zinc/49/35/03/1329493503.db2.gz QMXARGLTVOWSDF-UHFFFAOYSA-N 2 2 332.488 3.086 10 10 EGCELP CC[C@H](c1cc(Br)ccc1O)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104354192 219377417 /nfs/dbraw/zinc/37/74/17/219377417.db2.gz XOFRIDYBAFPPBQ-TZMCWYRMSA-N 2 2 327.266 3.290 10 10 EGCELP CC[C@H](c1cc(Br)ccc1O)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000104354192 219377420 /nfs/dbraw/zinc/37/74/20/219377420.db2.gz XOFRIDYBAFPPBQ-TZMCWYRMSA-N 2 2 327.266 3.290 10 10 EGCELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138538 455138790 /nfs/dbraw/zinc/13/87/90/455138790.db2.gz ISZKRFBUVQBDHC-OAHLLOKOSA-N 2 2 345.443 3.005 10 10 EGCELP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Cl)ccc1O ZINC000925790998 1325301955 /nfs/dbraw/zinc/30/19/55/1325301955.db2.gz JWXZBXCYTINSCV-ZBFHGGJFSA-N 2 2 338.879 3.245 10 10 EGCELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000191211341 455464896 /nfs/dbraw/zinc/46/48/96/455464896.db2.gz FKWXUJJBPGBFSR-NSHDSACASA-N 2 2 344.365 3.410 10 10 EGCELP CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812619 454637843 /nfs/dbraw/zinc/63/78/43/454637843.db2.gz GOEYYWVYBLTSJZ-HNNXBMFYSA-N 2 2 327.428 3.120 10 10 EGCELP CCOc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O ZINC000092812619 454637847 /nfs/dbraw/zinc/63/78/47/454637847.db2.gz GOEYYWVYBLTSJZ-HNNXBMFYSA-N 2 2 327.428 3.120 10 10 EGCELP COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282813006 456633221 /nfs/dbraw/zinc/63/32/21/456633221.db2.gz SSHPTHXEQWSGIP-HNNXBMFYSA-N 2 2 341.455 3.313 10 10 EGCELP COc1ccc(O)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282813006 456633228 /nfs/dbraw/zinc/63/32/28/456633228.db2.gz SSHPTHXEQWSGIP-HNNXBMFYSA-N 2 2 341.455 3.313 10 10 EGCELP Oc1ccc(F)cc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373481584 458505233 /nfs/dbraw/zinc/50/52/33/458505233.db2.gz FJEBKWKMRJNBID-UHFFFAOYSA-N 2 2 346.368 3.426 10 10 EGCELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249132 1329470693 /nfs/dbraw/zinc/47/06/93/1329470693.db2.gz WZKGKBYSNCXERJ-DYVFJYSZSA-N 2 2 325.447 3.193 10 10 EGCELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249132 1329470694 /nfs/dbraw/zinc/47/06/94/1329470694.db2.gz WZKGKBYSNCXERJ-DYVFJYSZSA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249132 1329470696 /nfs/dbraw/zinc/47/06/96/1329470696.db2.gz WZKGKBYSNCXERJ-DYVFJYSZSA-N 2 2 325.447 3.193 10 10 EGCELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862249132 1329470697 /nfs/dbraw/zinc/47/06/97/1329470697.db2.gz WZKGKBYSNCXERJ-DYVFJYSZSA-N 2 2 325.447 3.193 10 10 EGCELP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)CC1(C)C ZINC000862348423 1329476234 /nfs/dbraw/zinc/47/62/34/1329476234.db2.gz MWFBCXNGMPGEJJ-LBPRGKRZSA-N 2 2 327.266 3.117 10 10 EGCELP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)CC1(C)C ZINC000862348423 1329476236 /nfs/dbraw/zinc/47/62/36/1329476236.db2.gz MWFBCXNGMPGEJJ-LBPRGKRZSA-N 2 2 327.266 3.117 10 10 EGCELP