smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000230099108 242232048 /nfs/dbraw/zinc/23/20/48/242232048.db2.gz BYGIPVHXBIQZRN-HMXCVIKNSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099108 242232052 /nfs/dbraw/zinc/23/20/52/242232052.db2.gz BYGIPVHXBIQZRN-HMXCVIKNSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099108 242232059 /nfs/dbraw/zinc/23/20/59/242232059.db2.gz BYGIPVHXBIQZRN-HMXCVIKNSA-N 1 3 339.483 3.334 10 0 EGAEHO CCC[NH+]1CCC(N(C)Cc2ccccc2-c2ccnn2C)CC1 ZINC000350510026 141250966 /nfs/dbraw/zinc/25/09/66/141250966.db2.gz BFWJGQLSAYAVCT-UHFFFAOYSA-N 1 3 326.488 3.393 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc(F)cc1 ZINC000278452133 268016043 /nfs/dbraw/zinc/01/60/43/268016043.db2.gz LPQMBZWPXBBFSD-NDXORKPFSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccc(F)cc1 ZINC000278452133 268016045 /nfs/dbraw/zinc/01/60/45/268016045.db2.gz LPQMBZWPXBBFSD-NDXORKPFSA-N 1 3 342.458 3.359 10 0 EGAEHO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000358942182 275063123 /nfs/dbraw/zinc/06/31/23/275063123.db2.gz MVIKVIFCAKJCET-JXFKEZNVSA-N 1 3 336.483 3.324 10 0 EGAEHO OC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414295049 309071110 /nfs/dbraw/zinc/07/11/10/309071110.db2.gz CYAIVDVTGCMQMY-WOJBJXKFSA-N 1 3 328.500 3.182 10 0 EGAEHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000248407243 308002228 /nfs/dbraw/zinc/00/22/28/308002228.db2.gz CSVJORWIVHWJBR-XUVXKRRUSA-N 1 3 328.500 3.182 10 0 EGAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414745263 309098638 /nfs/dbraw/zinc/09/86/38/309098638.db2.gz PHMTWNPJOLYORE-MAUKXSAKSA-N 1 3 349.906 3.064 10 0 EGAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414745263 309098639 /nfs/dbraw/zinc/09/86/39/309098639.db2.gz PHMTWNPJOLYORE-MAUKXSAKSA-N 1 3 349.906 3.064 10 0 EGAEHO CCOc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297637108 308552178 /nfs/dbraw/zinc/55/21/78/308552178.db2.gz MLLSJOODLZBQGT-UHFFFAOYSA-N 1 3 325.456 3.281 10 0 EGAEHO CNCc1ccccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000415898130 309146742 /nfs/dbraw/zinc/14/67/42/309146742.db2.gz HEUJJJNPXYMDBB-IBGZPJMESA-N 1 3 346.519 3.284 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCOCC1 ZINC000422901266 309375289 /nfs/dbraw/zinc/37/52/89/309375289.db2.gz RTZKWCBDAQQVEI-IEBWSBKVSA-N 1 3 346.515 3.030 10 0 EGAEHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000422930679 309376609 /nfs/dbraw/zinc/37/66/09/309376609.db2.gz VLZBZCZTYXFFDE-PXNSSMCTSA-N 1 3 343.515 3.192 10 0 EGAEHO Fc1ccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934612 309376899 /nfs/dbraw/zinc/37/68/99/309376899.db2.gz GAYXVVAGOMSPEI-UYAOXDASSA-N 1 3 342.414 3.050 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000423009807 309380840 /nfs/dbraw/zinc/38/08/40/309380840.db2.gz DZFMFJSEJRSXIA-HMXCVIKNSA-N 1 3 335.451 3.378 10 0 EGAEHO CC(C)N1CCN(c2cccc(N[C@H](C)c3c[nH+]ccc3N)c2)CC1 ZINC000423026018 309381550 /nfs/dbraw/zinc/38/15/50/309381550.db2.gz MSUHZBOUTXORCY-MRXNPFEDSA-N 1 3 339.487 3.198 10 0 EGAEHO CC(C)N1CCN(c2cccc(N[C@@H](C)c3c[nH+]ccc3N)c2)CC1 ZINC000423026017 309381656 /nfs/dbraw/zinc/38/16/56/309381656.db2.gz MSUHZBOUTXORCY-INIZCTEOSA-N 1 3 339.487 3.198 10 0 EGAEHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000423084083 309385120 /nfs/dbraw/zinc/38/51/20/309385120.db2.gz ZSGWBGLQOGZHIK-YDZRNGNQSA-N 1 3 330.520 3.222 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)CC2 ZINC000423084083 309385121 /nfs/dbraw/zinc/38/51/21/309385121.db2.gz ZSGWBGLQOGZHIK-YDZRNGNQSA-N 1 3 330.520 3.222 10 0 EGAEHO CC(C)(C)CC[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093140 309385616 /nfs/dbraw/zinc/38/56/16/309385616.db2.gz FZDFGGNYJGVKLJ-WRWLIDTKSA-N 1 3 332.488 3.019 10 0 EGAEHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cccc(C(F)(F)F)n1 ZINC000423127370 309387253 /nfs/dbraw/zinc/38/72/53/309387253.db2.gz BYOQJFJMRXPQOY-CZUORRHYSA-N 1 3 337.389 3.191 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423291970 309394191 /nfs/dbraw/zinc/39/41/91/309394191.db2.gz KURLWIJXIFMUSG-GJZGRUSLSA-N 1 3 325.456 3.259 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423415917 309399366 /nfs/dbraw/zinc/39/93/66/309399366.db2.gz FGOXXJZCKXHESK-SXSPYAJSSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1NCCc2ccccc21 ZINC000423415917 309399367 /nfs/dbraw/zinc/39/93/67/309399367.db2.gz FGOXXJZCKXHESK-SXSPYAJSSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1NCCc2ccccc21 ZINC000423415917 309399368 /nfs/dbraw/zinc/39/93/68/309399368.db2.gz FGOXXJZCKXHESK-SXSPYAJSSA-N 1 3 349.522 3.374 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C[C@@H]1C ZINC000423527018 309404869 /nfs/dbraw/zinc/40/48/69/309404869.db2.gz LWZRCZGENKAULA-JNJNSAIKSA-N 1 3 348.531 3.098 10 0 EGAEHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccccc1CCN(C)C ZINC000446593523 309964463 /nfs/dbraw/zinc/96/44/63/309964463.db2.gz OKKPHUOHMPLSRQ-IRXDYDNUSA-N 1 3 346.519 3.175 10 0 EGAEHO C[C@@H](Cc1ccoc1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000449088633 310036200 /nfs/dbraw/zinc/03/62/00/310036200.db2.gz IJFXAKANWLISQS-IBGZPJMESA-N 1 3 341.499 3.403 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)OCCO)CC1 ZINC000449327780 310053828 /nfs/dbraw/zinc/05/38/28/310053828.db2.gz GFOMLHWMXIRRGQ-UHFFFAOYSA-N 1 3 328.541 3.043 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000450637446 310134374 /nfs/dbraw/zinc/13/43/74/310134374.db2.gz QPMSBMSTFCDIJE-KRWDZBQOSA-N 1 3 343.506 3.302 10 0 EGAEHO CCc1cc(CCC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)on1 ZINC000450885432 310147847 /nfs/dbraw/zinc/14/78/47/310147847.db2.gz BYTZTWKFOMYMHE-KDURUIRLSA-N 1 3 339.483 3.233 10 0 EGAEHO CCc1cc(CCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)on1 ZINC000450885432 310147848 /nfs/dbraw/zinc/14/78/48/310147848.db2.gz BYTZTWKFOMYMHE-KDURUIRLSA-N 1 3 339.483 3.233 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453063492 310255345 /nfs/dbraw/zinc/25/53/45/310255345.db2.gz NRPFJFAVRQEKQG-AYOQOUSVSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453063492 310255346 /nfs/dbraw/zinc/25/53/46/310255346.db2.gz NRPFJFAVRQEKQG-AYOQOUSVSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453063492 310255347 /nfs/dbraw/zinc/25/53/47/310255347.db2.gz NRPFJFAVRQEKQG-AYOQOUSVSA-N 1 3 336.907 3.362 10 0 EGAEHO C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000510934495 312150995 /nfs/dbraw/zinc/15/09/95/312150995.db2.gz QVAASKIWNJOUSN-APWZRJJASA-N 1 3 334.504 3.219 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000516449676 312323897 /nfs/dbraw/zinc/32/38/97/312323897.db2.gz HPVONWVZQJACNY-DJKXOVBDSA-N 1 3 325.456 3.420 10 0 EGAEHO Cc1ccccc1[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000552946980 315238234 /nfs/dbraw/zinc/23/82/34/315238234.db2.gz DXMAUYJDGGLIDA-NRFANRHFSA-N 1 3 343.515 3.025 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000552998276 315240681 /nfs/dbraw/zinc/24/06/81/315240681.db2.gz ZCCWIVIAEVFWJG-ZWKOTPCHSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000552998276 315240682 /nfs/dbraw/zinc/24/06/82/315240682.db2.gz ZCCWIVIAEVFWJG-ZWKOTPCHSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@H]([NH3+])CCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000570448178 317056935 /nfs/dbraw/zinc/05/69/35/317056935.db2.gz LWCZJYVZSMHJRZ-INIZCTEOSA-N 1 3 339.483 3.159 10 0 EGAEHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941778 317130971 /nfs/dbraw/zinc/13/09/71/317130971.db2.gz KXLIHGOVCYNEAW-WOJBJXKFSA-N 1 3 336.483 3.004 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000178619771 323359093 /nfs/dbraw/zinc/35/90/93/323359093.db2.gz FRPHPJPBMGLUIV-CALCHBBNSA-N 1 3 342.487 3.056 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1(C)C ZINC000623507242 460588086 /nfs/dbraw/zinc/58/80/86/460588086.db2.gz AGCDZRCDGVHZHU-ZVDOUQERSA-N 1 3 348.506 3.362 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1(C)C ZINC000623507242 460588091 /nfs/dbraw/zinc/58/80/91/460588091.db2.gz AGCDZRCDGVHZHU-ZVDOUQERSA-N 1 3 348.506 3.362 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000008429089 453203487 /nfs/dbraw/zinc/20/34/87/453203487.db2.gz GCLRZSOLNBUYPJ-DLBZAZTESA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000008429089 453203497 /nfs/dbraw/zinc/20/34/97/453203497.db2.gz GCLRZSOLNBUYPJ-DLBZAZTESA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000008429089 453203503 /nfs/dbraw/zinc/20/35/03/453203503.db2.gz GCLRZSOLNBUYPJ-DLBZAZTESA-N 1 3 347.503 3.266 10 0 EGAEHO CC(C)[N@H+](C)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968602 460599627 /nfs/dbraw/zinc/59/96/27/460599627.db2.gz KVVHBICQSZKQEM-HNNXBMFYSA-N 1 3 346.302 3.053 10 0 EGAEHO CC(C)[N@@H+](C)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968602 460599630 /nfs/dbraw/zinc/59/96/30/460599630.db2.gz KVVHBICQSZKQEM-HNNXBMFYSA-N 1 3 346.302 3.053 10 0 EGAEHO COc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1CN1CCCC1 ZINC000095427048 454210124 /nfs/dbraw/zinc/21/01/24/454210124.db2.gz LAJBYJOSLIYPJD-MNNVXMFVSA-N 1 3 332.488 3.245 10 0 EGAEHO CC[N@@H+]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)[C@H](C)C1 ZINC000097095638 454405472 /nfs/dbraw/zinc/40/54/72/454405472.db2.gz XEUIBHBBSPOBQM-XLIONFOSSA-N 1 3 345.531 3.033 10 0 EGAEHO CC[N@H+]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)[C@H](C)C1 ZINC000097095638 454405473 /nfs/dbraw/zinc/40/54/73/454405473.db2.gz XEUIBHBBSPOBQM-XLIONFOSSA-N 1 3 345.531 3.033 10 0 EGAEHO CC(C)[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccnc1 ZINC000091348791 454429239 /nfs/dbraw/zinc/42/92/39/454429239.db2.gz FQCYAIZMTRFCCN-HXUWFJFHSA-N 1 3 344.547 3.319 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CCOC)CC2)CC1 ZINC000151175076 454948079 /nfs/dbraw/zinc/94/80/79/454948079.db2.gz KZNRMAGOSGKGRU-UHFFFAOYSA-N 1 3 345.531 3.125 10 0 EGAEHO CN(C)CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180007887 455114553 /nfs/dbraw/zinc/11/45/53/455114553.db2.gz UAYIIIQSJLJVKJ-IBGZPJMESA-N 1 3 335.923 3.407 10 0 EGAEHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000245381007 455282679 /nfs/dbraw/zinc/28/26/79/455282679.db2.gz BOZVDSIUXIKTPO-BRWVUGGUSA-N 1 3 329.488 3.482 10 0 EGAEHO C[C@@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530873 455303879 /nfs/dbraw/zinc/30/38/79/455303879.db2.gz RLJIPYGNQJBSJW-SJORKVTESA-N 1 3 349.563 3.124 10 0 EGAEHO CN1CCC(C[NH2+]Cc2cccc3[nH]ccc32)(N2CCCCC2)CC1 ZINC000174581585 455405699 /nfs/dbraw/zinc/40/56/99/455405699.db2.gz UKYIFDRUCBUGFX-UHFFFAOYSA-N 1 3 340.515 3.208 10 0 EGAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246128857 455433082 /nfs/dbraw/zinc/43/30/82/455433082.db2.gz QTLAUGANNLLRBE-QZTJIDSGSA-N 1 3 339.487 3.135 10 0 EGAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246128857 455433086 /nfs/dbraw/zinc/43/30/86/455433086.db2.gz QTLAUGANNLLRBE-QZTJIDSGSA-N 1 3 339.487 3.135 10 0 EGAEHO CCN1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205035 455573378 /nfs/dbraw/zinc/57/33/78/455573378.db2.gz WOLGFSLPPZEUFC-GHTZIAJQSA-N 1 3 329.532 3.279 10 0 EGAEHO Cc1c([C@H](C)NCCCC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000269030392 455769264 /nfs/dbraw/zinc/76/92/64/455769264.db2.gz ROHJKVCFUYMALR-ZDUSSCGKSA-N 1 3 335.883 3.222 10 0 EGAEHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)C[C@@H]1CCC=CO1 ZINC000193903584 455786328 /nfs/dbraw/zinc/78/63/28/455786328.db2.gz KDFQHRKCGUBECY-LEWJYISDSA-N 1 3 344.499 3.057 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)C[C@@H]1CCC=CO1 ZINC000193903584 455786330 /nfs/dbraw/zinc/78/63/30/455786330.db2.gz KDFQHRKCGUBECY-LEWJYISDSA-N 1 3 344.499 3.057 10 0 EGAEHO Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)o1 ZINC000272409273 455941530 /nfs/dbraw/zinc/94/15/30/455941530.db2.gz KVQWULSOQVZSKC-HAGHYFMRSA-N 1 3 340.467 3.407 10 0 EGAEHO COC(=O)C(C)(C)CCNCc1ccccc1C[NH+]1CCCCC1 ZINC000352916371 456410706 /nfs/dbraw/zinc/41/07/06/456410706.db2.gz RNWREWYAXYAIAN-UHFFFAOYSA-N 1 3 332.488 3.351 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H]2CCC[C@H]21 ZINC000340424191 456453775 /nfs/dbraw/zinc/45/37/75/456453775.db2.gz BVVSUAQOIOSWML-QLFBSQMISA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H]2CCC[C@H]21 ZINC000340424191 456453778 /nfs/dbraw/zinc/45/37/78/456453778.db2.gz BVVSUAQOIOSWML-QLFBSQMISA-N 1 3 327.394 3.105 10 0 EGAEHO C[NH+](C)CC1CCC(NCc2conc2Cc2ccccc2)CC1 ZINC000339315944 457052368 /nfs/dbraw/zinc/05/23/68/457052368.db2.gz LFOCYKWOGATJOS-UHFFFAOYSA-N 1 3 327.472 3.475 10 0 EGAEHO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000354206420 457129661 /nfs/dbraw/zinc/12/96/61/457129661.db2.gz JVIDJEQSLSWMEH-YZGWKJHDSA-N 1 3 328.500 3.161 10 0 EGAEHO CCN(CCCN1CCC(C[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000347288227 457332150 /nfs/dbraw/zinc/33/21/50/457332150.db2.gz RPXPTYHGUVVRKJ-UHFFFAOYSA-N 1 3 335.458 3.069 10 0 EGAEHO Cc1ccc(F)c(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397507312 457488938 /nfs/dbraw/zinc/48/89/38/457488938.db2.gz HIXAAQYYKSWJQV-UHFFFAOYSA-N 1 3 342.458 3.251 10 0 EGAEHO C[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000397625326 457490374 /nfs/dbraw/zinc/49/03/74/457490374.db2.gz KGFBDAYTAXSZNB-LJQANCHMSA-N 1 3 338.495 3.407 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000370653636 457691580 /nfs/dbraw/zinc/69/15/80/457691580.db2.gz SZCVPKDBADPSGR-VQIMIIECSA-N 1 3 340.467 3.401 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000370653636 457691583 /nfs/dbraw/zinc/69/15/83/457691583.db2.gz SZCVPKDBADPSGR-VQIMIIECSA-N 1 3 340.467 3.401 10 0 EGAEHO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000370653633 457692286 /nfs/dbraw/zinc/69/22/86/457692286.db2.gz SZCVPKDBADPSGR-APWZRJJASA-N 1 3 340.467 3.401 10 0 EGAEHO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000370653633 457692289 /nfs/dbraw/zinc/69/22/89/457692289.db2.gz SZCVPKDBADPSGR-APWZRJJASA-N 1 3 340.467 3.401 10 0 EGAEHO CC1=CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234273 457876867 /nfs/dbraw/zinc/87/68/67/457876867.db2.gz WWDDRZYNOLWIKP-TZIWHRDSSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234273 457876872 /nfs/dbraw/zinc/87/68/72/457876872.db2.gz WWDDRZYNOLWIKP-TZIWHRDSSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234273 457876879 /nfs/dbraw/zinc/87/68/79/457876879.db2.gz WWDDRZYNOLWIKP-TZIWHRDSSA-N 1 3 327.516 3.281 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@H]2CCC[C@H]21 ZINC000375836115 458086928 /nfs/dbraw/zinc/08/69/28/458086928.db2.gz BCLRLPAUIXREGX-GRYCIOLGSA-N 1 3 333.423 3.167 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@H]2CCC[C@H]21 ZINC000375836115 458086920 /nfs/dbraw/zinc/08/69/20/458086920.db2.gz BCLRLPAUIXREGX-GRYCIOLGSA-N 1 3 333.423 3.167 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H](CN)C2CCCC2)CC1 ZINC000423495671 458443837 /nfs/dbraw/zinc/44/38/37/458443837.db2.gz CKHKMIZAKXNOLW-LAUBAEHRSA-N 1 3 329.532 3.189 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000431570132 458590542 /nfs/dbraw/zinc/59/05/42/458590542.db2.gz LQQXSFIDHWHSDM-UXHICEINSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000431570132 458590550 /nfs/dbraw/zinc/59/05/50/458590550.db2.gz LQQXSFIDHWHSDM-UXHICEINSA-N 1 3 343.515 3.204 10 0 EGAEHO C[C@H]1CC2(CN1Cc1coc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424287659 458605516 /nfs/dbraw/zinc/60/55/16/458605516.db2.gz JLLKYKKPZFZITP-AWEZNQCLSA-N 1 3 329.419 3.445 10 0 EGAEHO C[C@@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)C1=CCN(C)CC1 ZINC000530231228 458724895 /nfs/dbraw/zinc/72/48/95/458724895.db2.gz GSGGPJDNHAPFHM-MDMXATFFSA-N 1 3 328.500 3.315 10 0 EGAEHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442869611 459048907 /nfs/dbraw/zinc/04/89/07/459048907.db2.gz DUMLDSXHNGCAGH-AWEZNQCLSA-N 1 3 343.968 3.338 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153742 459623664 /nfs/dbraw/zinc/62/36/64/459623664.db2.gz SSMIYWRHJUMVTO-RMVXJAJNSA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153742 459623669 /nfs/dbraw/zinc/62/36/69/459623669.db2.gz SSMIYWRHJUMVTO-RMVXJAJNSA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153742 459623676 /nfs/dbraw/zinc/62/36/76/459623676.db2.gz SSMIYWRHJUMVTO-RMVXJAJNSA-N 1 3 325.500 3.008 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000596675058 459723299 /nfs/dbraw/zinc/72/32/99/459723299.db2.gz PCQXDMIGKSQKRT-OAHLLOKOSA-N 1 3 332.488 3.230 10 0 EGAEHO c1ccc2c(c1)O[C@H](C[NH2+]C1CCN(c3ccncc3)CC1)CS2 ZINC000563157345 459726966 /nfs/dbraw/zinc/72/69/66/459726966.db2.gz BDRZYCDKIUBYAC-QGZVFWFLSA-N 1 3 341.480 3.193 10 0 EGAEHO Cc1cccc([C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)c1 ZINC000625983767 460326467 /nfs/dbraw/zinc/32/64/67/460326467.db2.gz AAABANZKPJBQLS-NRFANRHFSA-N 1 3 343.515 3.025 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)CC1(C)C ZINC000623425637 460541990 /nfs/dbraw/zinc/54/19/90/460541990.db2.gz HFTVWIQAXYKMSP-AWEZNQCLSA-N 1 3 330.501 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)CC1(C)C ZINC000623425637 460541996 /nfs/dbraw/zinc/54/19/96/460541996.db2.gz HFTVWIQAXYKMSP-AWEZNQCLSA-N 1 3 330.501 3.210 10 0 EGAEHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629519458 460792198 /nfs/dbraw/zinc/79/21/98/460792198.db2.gz AFRNYZXLLCBSAV-GFCCVEGCSA-N 1 3 349.475 3.416 10 0 EGAEHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCOCCC[NH3+] ZINC000629536158 460798773 /nfs/dbraw/zinc/79/87/73/460798773.db2.gz FXTYJUXPGBLZFP-GFCCVEGCSA-N 1 3 337.464 3.274 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCCCO1 ZINC000623979639 460808508 /nfs/dbraw/zinc/80/85/08/460808508.db2.gz HVWDVSMYDYGTLO-OXQOHEQNSA-N 1 3 332.488 3.207 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCSc2ccc(F)cc2)C1 ZINC000662282576 461165788 /nfs/dbraw/zinc/16/57/88/461165788.db2.gz CPBYJPKELKHJKL-KBAYOESNSA-N 1 3 338.492 3.279 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662468 461256960 /nfs/dbraw/zinc/25/69/60/461256960.db2.gz FSNSDVKMAZDOGD-NRFANRHFSA-N 1 3 347.522 3.205 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662468 461256968 /nfs/dbraw/zinc/25/69/68/461256968.db2.gz FSNSDVKMAZDOGD-NRFANRHFSA-N 1 3 347.522 3.205 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660006474 461541970 /nfs/dbraw/zinc/54/19/70/461541970.db2.gz OIJSCXVYPYVNBN-RDJZCZTQSA-N 1 3 330.463 3.387 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660006474 461541972 /nfs/dbraw/zinc/54/19/72/461541972.db2.gz OIJSCXVYPYVNBN-RDJZCZTQSA-N 1 3 330.463 3.387 10 0 EGAEHO O=c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000631177771 461615590 /nfs/dbraw/zinc/61/55/90/461615590.db2.gz RDHLJQUYMQPFDO-IBGZPJMESA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000631177771 461615597 /nfs/dbraw/zinc/61/55/97/461615597.db2.gz RDHLJQUYMQPFDO-IBGZPJMESA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000631177771 461615604 /nfs/dbraw/zinc/61/56/04/461615604.db2.gz RDHLJQUYMQPFDO-IBGZPJMESA-N 1 3 337.467 3.179 10 0 EGAEHO Fc1ccc(-n2nccc2CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783314 461892748 /nfs/dbraw/zinc/89/27/48/461892748.db2.gz OWTGGJUDKIQYEM-KRWDZBQOSA-N 1 3 342.462 3.223 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000650718273 461909474 /nfs/dbraw/zinc/90/94/74/461909474.db2.gz FLIMMXDEMNYZGV-OAQYLSRUSA-N 1 3 340.467 3.254 10 0 EGAEHO CC[C@@H](NCCC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653875742 461912243 /nfs/dbraw/zinc/91/22/43/461912243.db2.gz ZBRZHGSZLHXOGE-SEXKYXSUSA-N 1 3 326.525 3.251 10 0 EGAEHO CC[C@@H]([NH2+]CCCN[C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653875742 461912245 /nfs/dbraw/zinc/91/22/45/461912245.db2.gz ZBRZHGSZLHXOGE-SEXKYXSUSA-N 1 3 326.525 3.251 10 0 EGAEHO Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c2ccccc2n1 ZINC000664012123 461913179 /nfs/dbraw/zinc/91/31/79/461913179.db2.gz VNNVJYYNODTJAA-UHFFFAOYSA-N 1 3 325.456 3.234 10 0 EGAEHO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c2ccccc2n1 ZINC000664012123 461913185 /nfs/dbraw/zinc/91/31/85/461913185.db2.gz VNNVJYYNODTJAA-UHFFFAOYSA-N 1 3 325.456 3.234 10 0 EGAEHO Cc1c([C@@H](C)NCCC2(C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000650744642 461929626 /nfs/dbraw/zinc/92/96/26/461929626.db2.gz SGRJDIRDNNBMLG-GFCCVEGCSA-N 1 3 333.867 3.009 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000650757817 461938667 /nfs/dbraw/zinc/93/86/67/461938667.db2.gz BIHOITGKUFBRTB-OAHLLOKOSA-N 1 3 326.440 3.418 10 0 EGAEHO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657597009 462199127 /nfs/dbraw/zinc/19/91/27/462199127.db2.gz QPRIOYWCGMNBEV-XMSQKQJNSA-N 1 3 338.495 3.282 10 0 EGAEHO C[C@H](O)CC[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836139 462210782 /nfs/dbraw/zinc/21/07/82/462210782.db2.gz JJANIRXVGIFYKJ-FXAWDEMLSA-N 1 3 330.516 3.380 10 0 EGAEHO C[C@H](O)CC[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836139 462210785 /nfs/dbraw/zinc/21/07/85/462210785.db2.gz JJANIRXVGIFYKJ-FXAWDEMLSA-N 1 3 330.516 3.380 10 0 EGAEHO Cc1cncc(CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000657712625 462239241 /nfs/dbraw/zinc/23/92/41/462239241.db2.gz ZGVOMTFSAGQYDU-UHFFFAOYSA-N 1 3 326.488 3.075 10 0 EGAEHO Cc1cncc(CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000657712625 462239249 /nfs/dbraw/zinc/23/92/49/462239249.db2.gz ZGVOMTFSAGQYDU-UHFFFAOYSA-N 1 3 326.488 3.075 10 0 EGAEHO c1ccc(CN2C[C@@H](C[NH2+]CC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771321 462259449 /nfs/dbraw/zinc/25/94/49/462259449.db2.gz BFTYTYOTIWLSDO-HXUWFJFHSA-N 1 3 326.484 3.225 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H](CNCC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771321 462259452 /nfs/dbraw/zinc/25/94/52/462259452.db2.gz BFTYTYOTIWLSDO-HXUWFJFHSA-N 1 3 326.484 3.225 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H](CNCC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771321 462259455 /nfs/dbraw/zinc/25/94/55/462259455.db2.gz BFTYTYOTIWLSDO-HXUWFJFHSA-N 1 3 326.484 3.225 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C(C)(C)C(F)F ZINC000657969945 462332151 /nfs/dbraw/zinc/33/21/51/462332151.db2.gz WUKRRAHMMUXDDD-CJNGLKHVSA-N 1 3 326.431 3.023 10 0 EGAEHO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658137434 462400234 /nfs/dbraw/zinc/40/02/34/462400234.db2.gz GRESMZXLXUMEIL-MAUKXSAKSA-N 1 3 330.497 3.036 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)cc2)C1 ZINC000658138909 462402273 /nfs/dbraw/zinc/40/22/73/462402273.db2.gz PAIOZKFJIODWAG-HKBOAZHASA-N 1 3 328.500 3.312 10 0 EGAEHO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138884 462402577 /nfs/dbraw/zinc/40/25/77/462402577.db2.gz ORWCPFSGVFJXLW-PBHICJAKSA-N 1 3 344.421 3.464 10 0 EGAEHO Cc1cccc2c1CC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139975 462403559 /nfs/dbraw/zinc/40/35/59/462403559.db2.gz PCBZNNXUXBPNHL-KNQAVFIVSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1cccc2c1CC[C@@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139975 462403564 /nfs/dbraw/zinc/40/35/64/462403564.db2.gz PCBZNNXUXBPNHL-KNQAVFIVSA-N 1 3 336.479 3.339 10 0 EGAEHO OC1CC[NH+](CCCN[C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652142744 462448529 /nfs/dbraw/zinc/44/85/29/462448529.db2.gz AMMLVWABQWOBOL-FQEVSTJZSA-N 1 3 331.504 3.139 10 0 EGAEHO CCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000649305786 462474470 /nfs/dbraw/zinc/47/44/70/462474470.db2.gz ARUBBNMTQXTXGL-FUHWJXTLSA-N 1 3 331.504 3.188 10 0 EGAEHO O[C@@H]1CCCN(CCC[NH+]2CCCCC2)[C@@H]1CCc1ccccc1 ZINC000646073780 462509697 /nfs/dbraw/zinc/50/96/97/462509697.db2.gz IZENLCBFFFUVAW-NHCUHLMSSA-N 1 3 330.516 3.321 10 0 EGAEHO Cc1c(C)c(C)c(C[NH+]2CCC(N3CC[C@H](O)C3)CC2)c(C)c1C ZINC000662159397 462532969 /nfs/dbraw/zinc/53/29/69/462532969.db2.gz ZRFYEJRNMTYVGZ-FQEVSTJZSA-N 1 3 330.516 3.260 10 0 EGAEHO CCC[NH+]1CCC(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000354585612 535353633 /nfs/dbraw/zinc/35/36/33/535353633.db2.gz QHHJRYVYTRIICH-UHFFFAOYSA-N 1 3 343.515 3.134 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000162197272 546963873 /nfs/dbraw/zinc/96/38/73/546963873.db2.gz WYQKFBXGFQIBAA-ILWGZMRPSA-N 1 3 341.543 3.361 10 0 EGAEHO Cc1nccn1CCCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000371252266 547797783 /nfs/dbraw/zinc/79/77/83/547797783.db2.gz UQNIWNDTMYORSO-SFHVURJKSA-N 1 3 326.488 3.178 10 0 EGAEHO Cc1nccn1CCCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000371252266 547797785 /nfs/dbraw/zinc/79/77/85/547797785.db2.gz UQNIWNDTMYORSO-SFHVURJKSA-N 1 3 326.488 3.178 10 0 EGAEHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)c1ccncc1 ZINC000675928719 549006870 /nfs/dbraw/zinc/00/68/70/549006870.db2.gz VWPSFCDJZQUKAD-IRXDYDNUSA-N 1 3 327.472 3.476 10 0 EGAEHO CCC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C[C@H]1CCCCO1 ZINC000678240998 549438248 /nfs/dbraw/zinc/43/82/48/549438248.db2.gz BQHFOJMGUGWXAC-HXUWFJFHSA-N 1 3 334.504 3.408 10 0 EGAEHO CCC[N@H+](Cc1ccc(OCCN(C)C)cc1)C[C@H]1CCCCO1 ZINC000678240998 549438250 /nfs/dbraw/zinc/43/82/50/549438250.db2.gz BQHFOJMGUGWXAC-HXUWFJFHSA-N 1 3 334.504 3.408 10 0 EGAEHO CN(Cc1ccc(Br)c(F)c1F)CC1CC[NH2+]CC1 ZINC000701002552 1298184394 /nfs/dbraw/zinc/18/43/94/1298184394.db2.gz NTMGJWLTBXDRQX-UHFFFAOYSA-N 1 3 333.220 3.159 10 0 EGAEHO C[C@@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268827818 1296703070 /nfs/dbraw/zinc/70/30/70/1296703070.db2.gz LSALAHBWIRAYFM-AEFFLSMTSA-N 1 3 347.503 3.154 10 0 EGAEHO C[C@@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268827818 1296703077 /nfs/dbraw/zinc/70/30/77/1296703077.db2.gz LSALAHBWIRAYFM-AEFFLSMTSA-N 1 3 347.503 3.154 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000300532753 1296783446 /nfs/dbraw/zinc/78/34/46/1296783446.db2.gz VSRGUFVTDASGHC-HIFRSBDPSA-N 1 3 325.294 3.312 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000300529257 1296783875 /nfs/dbraw/zinc/78/38/75/1296783875.db2.gz MUNBEGOVTVEYGX-UMVBOHGHSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000300529257 1296783889 /nfs/dbraw/zinc/78/38/89/1296783889.db2.gz MUNBEGOVTVEYGX-UMVBOHGHSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000300529257 1296783901 /nfs/dbraw/zinc/78/39/01/1296783901.db2.gz MUNBEGOVTVEYGX-UMVBOHGHSA-N 1 3 325.294 3.297 10 0 EGAEHO OC1(C[NH+]2CC3(C2)CCCCC3)CCN(Cc2ccccc2)CC1 ZINC000397538729 1297701783 /nfs/dbraw/zinc/70/17/83/1297701783.db2.gz KRQANVYXGGOOOK-UHFFFAOYSA-N 1 3 328.500 3.280 10 0 EGAEHO CCN(CC)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910361 1298231827 /nfs/dbraw/zinc/23/18/27/1298231827.db2.gz OCQFHXBUVISNAG-BBWFWOEESA-N 1 3 339.524 3.096 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1(C)C ZINC000858133698 1328692049 /nfs/dbraw/zinc/69/20/49/1328692049.db2.gz VJBJBYAWXKFLOE-DOMZBBRYSA-N 1 3 331.287 3.489 10 0 EGAEHO C[N@@H+]1CCC[C@@]2(CCN(CCC3(C(=O)OC(C)(C)C)CCC3)C2)C1 ZINC000930575832 1328902457 /nfs/dbraw/zinc/90/24/57/1328902457.db2.gz FSNILJDSHGSKTE-LJQANCHMSA-N 1 3 336.520 3.306 10 0 EGAEHO C[N@H+]1CCC[C@@]2(CCN(CCC3(C(=O)OC(C)(C)C)CCC3)C2)C1 ZINC000930575832 1328902462 /nfs/dbraw/zinc/90/24/62/1328902462.db2.gz FSNILJDSHGSKTE-LJQANCHMSA-N 1 3 336.520 3.306 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)C2)cc1 ZINC000921670522 1322375978 /nfs/dbraw/zinc/37/59/78/1322375978.db2.gz GNIWDMIWBBSLND-CLAROIROSA-N 1 3 342.527 3.346 10 0 EGAEHO C[C@@H]1CN(Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923494741 1322761990 /nfs/dbraw/zinc/76/19/90/1322761990.db2.gz NYBSHUVFLYBXHL-VQIMIIECSA-N 1 3 325.456 3.077 10 0 EGAEHO Cc1nc2c(o1)CCC[C@H]2NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000924969627 1323232425 /nfs/dbraw/zinc/23/24/25/1323232425.db2.gz LIABVUVROZBLKZ-GOSISDBHSA-N 1 3 343.471 3.133 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)n2)[C@H](C)C1 ZINC000925076889 1323267691 /nfs/dbraw/zinc/26/76/91/1323267691.db2.gz AGRBVKQRDLAJFX-KURKYZTESA-N 1 3 349.519 3.268 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000925476367 1325167598 /nfs/dbraw/zinc/16/75/98/1325167598.db2.gz AWWVODQXUJKDCS-AABGKKOBSA-N 1 3 345.506 3.156 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000925487833 1325174325 /nfs/dbraw/zinc/17/43/25/1325174325.db2.gz XORGSFHPWJXGOC-MDUILUSMSA-N 1 3 349.469 3.157 10 0 EGAEHO COc1ccccc1[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500494 1325179869 /nfs/dbraw/zinc/17/98/69/1325179869.db2.gz CYLQJWLIMOYAQM-LMMKCTJWSA-N 1 3 345.531 3.328 10 0 EGAEHO CC1(C)C[C@@H](NCc2ccc(COC3CCOCC3)cc2)C[C@@H]([NH3+])C1 ZINC000925605290 1325229941 /nfs/dbraw/zinc/22/99/41/1325229941.db2.gz DYDPMIUHCBFMBL-MOPGFXCFSA-N 1 3 346.515 3.378 10 0 EGAEHO OC[C@]1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@@H]1c1ccc(F)cc1 ZINC000925651298 1325247571 /nfs/dbraw/zinc/24/75/71/1325247571.db2.gz ABSPPFRLVHKNJV-XRXFAXGQSA-N 1 3 346.490 3.050 10 0 EGAEHO OC[C@]1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C[C@@H]1c1ccc(F)cc1 ZINC000925651298 1325247579 /nfs/dbraw/zinc/24/75/79/1325247579.db2.gz ABSPPFRLVHKNJV-XRXFAXGQSA-N 1 3 346.490 3.050 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925674900 1325258136 /nfs/dbraw/zinc/25/81/36/1325258136.db2.gz FAGKBTZGOJPKJD-VVWQDTPRSA-N 1 3 331.479 3.018 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000925781142 1325298444 /nfs/dbraw/zinc/29/84/44/1325298444.db2.gz HKXLFJDPCUHQAQ-QMTHXVAHSA-N 1 3 345.231 3.271 10 0 EGAEHO C[C@@H]([NH3+])C[C@@H](C)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874203 1325338976 /nfs/dbraw/zinc/33/89/76/1325338976.db2.gz PICZPNUFJZSLDI-CHWSQXEVSA-N 1 3 344.409 3.495 10 0 EGAEHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000863542833 1329562031 /nfs/dbraw/zinc/56/20/31/1329562031.db2.gz GZDAPGGOARZAQQ-FFZOFVMBSA-N 1 3 345.531 3.472 10 0 EGAEHO C([NH2+]C1CCN(C[C@H]2CCCO2)CC1)[C@H]1CCN1C1CCCCCC1 ZINC000866562448 1330126837 /nfs/dbraw/zinc/12/68/37/1330126837.db2.gz SFMFJPVDXVRTTM-NHCUHLMSSA-N 1 3 349.563 3.017 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645082 1387416516 /nfs/dbraw/zinc/41/65/16/1387416516.db2.gz XLNGBKOEGRAIAJ-PABLAQFASA-N 1 3 344.503 3.012 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645082 1387416517 /nfs/dbraw/zinc/41/65/17/1387416517.db2.gz XLNGBKOEGRAIAJ-PABLAQFASA-N 1 3 344.503 3.012 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001323638648 1387414342 /nfs/dbraw/zinc/41/43/42/1387414342.db2.gz UBHZNGJYJKHOPM-IBGZPJMESA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001323638648 1387414344 /nfs/dbraw/zinc/41/43/44/1387414344.db2.gz UBHZNGJYJKHOPM-IBGZPJMESA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)=CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CCCCCC1 ZINC001323723214 1387432935 /nfs/dbraw/zinc/43/29/35/1387432935.db2.gz WDKUSTLWQXBEJM-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)=CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CCCCCC1 ZINC001323723214 1387432936 /nfs/dbraw/zinc/43/29/36/1387432936.db2.gz WDKUSTLWQXBEJM-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO c1cc(C[NH+]2CCCC2)cc(-c2nc([C@@H]3CN4CCC3CC4)no2)c1 ZINC001323914875 1387495363 /nfs/dbraw/zinc/49/53/63/1387495363.db2.gz LYFFMADUEIZCOB-GOSISDBHSA-N 1 3 338.455 3.142 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1)N(C)C ZINC001495918707 1396572306 /nfs/dbraw/zinc/57/23/06/1396572306.db2.gz KCOOKOHVDUSZPI-INIZCTEOSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001324787361 1387773185 /nfs/dbraw/zinc/77/31/85/1387773185.db2.gz DZETXXHLLSMVGS-ICSRJNTNSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H](C(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1)N(C)C ZINC001324897288 1387809580 /nfs/dbraw/zinc/80/95/80/1387809580.db2.gz JAXNFHYSIHGRHL-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H](c1ccccc1F)N1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958761 1387852275 /nfs/dbraw/zinc/85/22/75/1387852275.db2.gz WJCLATJUVWIJPB-OXQOHEQNSA-N 1 3 349.494 3.057 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001325454731 1387977567 /nfs/dbraw/zinc/97/75/67/1387977567.db2.gz GVUIXANHLVQRDF-HKUYNNGSSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)N1CCCC1 ZINC001326864227 1388334063 /nfs/dbraw/zinc/33/40/63/1388334063.db2.gz KKVFUAOTCLPICU-UHFFFAOYSA-N 1 3 349.563 3.460 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001266111280 1377189883 /nfs/dbraw/zinc/18/98/83/1377189883.db2.gz YZOMIYFAIJRHCG-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001266111280 1377189884 /nfs/dbraw/zinc/18/98/84/1377189884.db2.gz YZOMIYFAIJRHCG-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001266374204 1377298819 /nfs/dbraw/zinc/29/88/19/1377298819.db2.gz ULAZMXUMYQKIRS-QGZVFWFLSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001267971316 1377481241 /nfs/dbraw/zinc/48/12/41/1377481241.db2.gz QZBKISIUBUYIMD-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001268271716 1377504954 /nfs/dbraw/zinc/50/49/54/1377504954.db2.gz SRCBAISGBWKSKT-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001268271716 1377504955 /nfs/dbraw/zinc/50/49/55/1377504955.db2.gz SRCBAISGBWKSKT-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001327455637 1388523698 /nfs/dbraw/zinc/52/36/98/1388523698.db2.gz PTKGFMLEJXOLRV-BQYQJAHWSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC)([NH2+]C[C@H](C)CC(C)C)CC1)N(C)C ZINC001327488474 1388532951 /nfs/dbraw/zinc/53/29/51/1388532951.db2.gz IVUXTXJJIKFEAD-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001327494146 1388535599 /nfs/dbraw/zinc/53/55/99/1388535599.db2.gz YTLNAWLSBKZURM-VOTSOKGWSA-N 1 3 335.536 3.189 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001327902338 1388620007 /nfs/dbraw/zinc/62/00/07/1388620007.db2.gz LQZKEBZRDASSPM-IRXDYDNUSA-N 1 3 339.568 3.227 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084417 1388666862 /nfs/dbraw/zinc/66/68/62/1388666862.db2.gz YIIUKYQAVRTKIY-ZPUOCTKUSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084417 1388666865 /nfs/dbraw/zinc/66/68/65/1388666865.db2.gz YIIUKYQAVRTKIY-ZPUOCTKUSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1cccc(C)c1CN1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001316607609 1384476551 /nfs/dbraw/zinc/47/65/51/1384476551.db2.gz UAWOXZBCRRSQTO-LJQANCHMSA-N 1 3 345.531 3.068 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001316623927 1384489350 /nfs/dbraw/zinc/48/93/50/1384489350.db2.gz LECDMGOEGTXYES-FGTMMUONSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316678912 1384520230 /nfs/dbraw/zinc/52/02/30/1384520230.db2.gz MJXJDUSUCOBHSM-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001316684494 1384524521 /nfs/dbraw/zinc/52/45/21/1384524521.db2.gz XWKOHLMFLNEZCM-QFBILLFUSA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCCCF)C1)N(C)C ZINC001316773029 1384571660 /nfs/dbraw/zinc/57/16/60/1384571660.db2.gz RTSNAGOMQWIOSN-MSOLQXFVSA-N 1 3 343.531 3.073 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1)C1CCC1 ZINC001316802229 1384590161 /nfs/dbraw/zinc/59/01/61/1384590161.db2.gz IQEQFZYHUZTEDV-FQEVSTJZSA-N 1 3 349.563 3.364 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CCCC1)C1CCC1 ZINC001316802229 1384590167 /nfs/dbraw/zinc/59/01/67/1384590167.db2.gz IQEQFZYHUZTEDV-FQEVSTJZSA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCC2CCCC2)C1 ZINC001316804585 1384594977 /nfs/dbraw/zinc/59/49/77/1384594977.db2.gz RQGNHRZSWXLNIE-QUCCMNQESA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCC2CCCC2)C1 ZINC001316804585 1384594979 /nfs/dbraw/zinc/59/49/79/1384594979.db2.gz RQGNHRZSWXLNIE-QUCCMNQESA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861495 1384663617 /nfs/dbraw/zinc/66/36/17/1384663617.db2.gz ODFMRGOACYLRKM-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861495 1384663621 /nfs/dbraw/zinc/66/36/21/1384663621.db2.gz ODFMRGOACYLRKM-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)N(C)C ZINC001316998357 1384755782 /nfs/dbraw/zinc/75/57/82/1384755782.db2.gz MQYRASXQRDRLMH-RTBURBONSA-N 1 3 347.547 3.188 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC001317271478 1385042109 /nfs/dbraw/zinc/04/21/09/1385042109.db2.gz NKPDIZZGINWCJH-ZWKOTPCHSA-N 1 3 345.531 3.108 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001317306078 1385072550 /nfs/dbraw/zinc/07/25/50/1385072550.db2.gz VBYNNHCWAZAGHN-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317351001 1385100206 /nfs/dbraw/zinc/10/02/06/1385100206.db2.gz NRQGDIGIZSFKBD-IBQUMJASSA-N 1 3 335.536 3.234 10 0 EGAEHO C[N@@H+](CCCOc1ccccc1)CCNC(=O)C1(C)CC2CCC1C2 ZINC001317476962 1385172963 /nfs/dbraw/zinc/17/29/63/1385172963.db2.gz VSAAZGDYACVTDT-BBTUJRGHSA-N 1 3 344.499 3.330 10 0 EGAEHO CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001329107577 1388972359 /nfs/dbraw/zinc/97/23/59/1388972359.db2.gz XHGKXXNAZKDYKH-DLBZAZTESA-N 1 3 345.531 3.106 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317530725 1385254786 /nfs/dbraw/zinc/25/47/86/1385254786.db2.gz ZAKGICFCFBWOEE-SBUVDCAVSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317530725 1385254790 /nfs/dbraw/zinc/25/47/90/1385254790.db2.gz ZAKGICFCFBWOEE-SBUVDCAVSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530728 1385255695 /nfs/dbraw/zinc/25/56/95/1385255695.db2.gz ZBKDNOSDQSSSTD-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530728 1385255696 /nfs/dbraw/zinc/25/56/96/1385255696.db2.gz ZBKDNOSDQSSSTD-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317810158 1385508461 /nfs/dbraw/zinc/50/84/61/1385508461.db2.gz YONOQZKCGYIUGI-UXHICEINSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317810158 1385508471 /nfs/dbraw/zinc/50/84/71/1385508471.db2.gz YONOQZKCGYIUGI-UXHICEINSA-N 1 3 349.563 3.291 10 0 EGAEHO CO[C@@H]1CC[C@@H]1[N@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914895 1385741854 /nfs/dbraw/zinc/74/18/54/1385741854.db2.gz FOTQAUFKUBWGRX-LEWJYISDSA-N 1 3 330.516 3.440 10 0 EGAEHO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914895 1385741858 /nfs/dbraw/zinc/74/18/58/1385741858.db2.gz FOTQAUFKUBWGRX-LEWJYISDSA-N 1 3 330.516 3.440 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(CC[NH2+]CC3=CCCCC3)CC2)C1 ZINC001318915268 1385880453 /nfs/dbraw/zinc/88/04/53/1385880453.db2.gz PQAHGQADDJMKGX-GOSISDBHSA-N 1 3 347.547 3.047 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001318978805 1385907053 /nfs/dbraw/zinc/90/70/53/1385907053.db2.gz IXOYZJMTFUIRDI-QAQDUYKDSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001319285038 1386042827 /nfs/dbraw/zinc/04/28/27/1386042827.db2.gz JDXRSGRDNDZIIC-HUUCEWRRSA-N 1 3 339.911 3.083 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001319390265 1386100430 /nfs/dbraw/zinc/10/04/30/1386100430.db2.gz YVISZRBPZHPAED-FBLDJFESSA-N 1 3 335.536 3.234 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001319390266 1386100561 /nfs/dbraw/zinc/10/05/61/1386100561.db2.gz YVISZRBPZHPAED-OSFIAYCASA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001319805592 1386305091 /nfs/dbraw/zinc/30/50/91/1386305091.db2.gz IGEXUZIPGQEBNY-RBUKOAKNSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948588 1386412079 /nfs/dbraw/zinc/41/20/79/1386412079.db2.gz YGDFYKISAVFFMN-ZWKOTPCHSA-N 1 3 339.568 3.416 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc2ccccc21 ZINC001320643455 1386676888 /nfs/dbraw/zinc/67/68/88/1386676888.db2.gz DWBPNKODKDBTEI-KRWDZBQOSA-N 1 3 341.499 3.164 10 0 EGAEHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001320901913 1386753187 /nfs/dbraw/zinc/75/31/87/1386753187.db2.gz QXRYQTMLYYXRGD-LJQANCHMSA-N 1 3 347.547 3.262 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]Cc1cc2ccccc2s1 ZINC001321418809 1386899277 /nfs/dbraw/zinc/89/92/77/1386899277.db2.gz JNCLPDJVOICFAJ-SREVYHEPSA-N 1 3 345.512 3.004 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1)N(C)C ZINC001698681372 1406329302 /nfs/dbraw/zinc/32/93/02/1406329302.db2.gz BVYZAOGYNQOVJE-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001329316730 1389059532 /nfs/dbraw/zinc/05/95/32/1389059532.db2.gz POZLEHOMVLQIDD-OAQYLSRUSA-N 1 3 343.515 3.120 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001329459292 1389117058 /nfs/dbraw/zinc/11/70/58/1389117058.db2.gz ICVHGWFJVZMXPH-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001329459292 1389117060 /nfs/dbraw/zinc/11/70/60/1389117060.db2.gz ICVHGWFJVZMXPH-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)NCCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001698726518 1406377177 /nfs/dbraw/zinc/37/71/77/1406377177.db2.gz UOSWBFQTZDBISG-UHFFFAOYSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001331075261 1389621959 /nfs/dbraw/zinc/62/19/59/1389621959.db2.gz UATWENYABVGYPV-MRXNPFEDSA-N 1 3 349.494 3.150 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001331075261 1389621961 /nfs/dbraw/zinc/62/19/61/1389621961.db2.gz UATWENYABVGYPV-MRXNPFEDSA-N 1 3 349.494 3.150 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001331470002 1389760876 /nfs/dbraw/zinc/76/08/76/1389760876.db2.gz MALOWOHTWAPDTB-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001331820258 1389879355 /nfs/dbraw/zinc/87/93/55/1389879355.db2.gz GSFJKRUYPRKODQ-KPOBHBOGSA-N 1 3 342.462 3.084 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001332263953 1390068951 /nfs/dbraw/zinc/06/89/51/1390068951.db2.gz WAJXPZUVFKZQDL-MSOLQXFVSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339615 1390091118 /nfs/dbraw/zinc/09/11/18/1390091118.db2.gz GQVKJWQWDIRTRZ-RTBURBONSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826512 1390195474 /nfs/dbraw/zinc/19/54/74/1390195474.db2.gz QCYLSRBYUFBLDM-QZTJIDSGSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)N1CCCC1 ZINC001698800103 1406474041 /nfs/dbraw/zinc/47/40/41/1406474041.db2.gz OVUXIXHPGGOLAY-UHFFFAOYSA-N 1 3 343.515 3.080 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC=C(C)C)N(C)C ZINC001479596477 1392284770 /nfs/dbraw/zinc/28/47/70/1392284770.db2.gz WEDPLIJQMCXWHV-GUDVDZBRSA-N 1 3 337.552 3.290 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001479709864 1392332123 /nfs/dbraw/zinc/33/21/23/1392332123.db2.gz BRPBGRNJJVWIBL-FGTMMUONSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001479709864 1392332129 /nfs/dbraw/zinc/33/21/29/1392332129.db2.gz BRPBGRNJJVWIBL-FGTMMUONSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479739859 1392353998 /nfs/dbraw/zinc/35/39/98/1392353998.db2.gz OPMXZWIGGYWIAA-OALUTQOASA-N 1 3 339.568 3.322 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479739859 1392354001 /nfs/dbraw/zinc/35/40/01/1392354001.db2.gz OPMXZWIGGYWIAA-OALUTQOASA-N 1 3 339.568 3.322 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479823628 1392413118 /nfs/dbraw/zinc/41/31/18/1392413118.db2.gz KRLMTFZDBVHFIL-IBMJZYDUSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccc(F)cc1 ZINC001480515601 1392776108 /nfs/dbraw/zinc/77/61/08/1392776108.db2.gz HYEIKILPWDNBRE-YJBOKZPZSA-N 1 3 349.494 3.246 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C(C)C ZINC001480832580 1392973575 /nfs/dbraw/zinc/97/35/75/1392973575.db2.gz BWNJOUUDDHGWMU-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C(C)C ZINC001480832580 1392973576 /nfs/dbraw/zinc/97/35/76/1392973576.db2.gz BWNJOUUDDHGWMU-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001481335590 1393166166 /nfs/dbraw/zinc/16/61/66/1393166166.db2.gz QUSQUNCKZPFVJL-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698928857 1406665459 /nfs/dbraw/zinc/66/54/59/1406665459.db2.gz MXDMWPSWWQSJHH-ZSQQTYLHSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001481451603 1394307722 /nfs/dbraw/zinc/30/77/22/1394307722.db2.gz IWYYRJHZMRISCG-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001481451603 1394307730 /nfs/dbraw/zinc/30/77/30/1394307730.db2.gz IWYYRJHZMRISCG-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950597 1406691190 /nfs/dbraw/zinc/69/11/90/1406691190.db2.gz ADWNIFHAAVNJST-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001491210645 1394473246 /nfs/dbraw/zinc/47/32/46/1394473246.db2.gz SRQCMMACESLHJV-WOJBJXKFSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001491210645 1394473247 /nfs/dbraw/zinc/47/32/47/1394473247.db2.gz SRQCMMACESLHJV-WOJBJXKFSA-N 1 3 343.515 3.032 10 0 EGAEHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C)C1CCC1 ZINC001491250994 1394491358 /nfs/dbraw/zinc/49/13/58/1394491358.db2.gz AGPKLIUDNFFERD-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1)N(C)C ZINC001491252504 1394492214 /nfs/dbraw/zinc/49/22/14/1394492214.db2.gz PRJYBRWEVDLWQB-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]1CNCc1ccccc1F)[NH+](CC)CC ZINC001482062288 1394723545 /nfs/dbraw/zinc/72/35/45/1394723545.db2.gz IKJMGXLMXDJNHJ-IEBWSBKVSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)N1CCCCC1 ZINC001482218980 1394812069 /nfs/dbraw/zinc/81/20/69/1394812069.db2.gz BENFJMLYLPSIGS-UHFFFAOYSA-N 1 3 349.563 3.460 10 0 EGAEHO CCc1cccc(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001482238199 1394834555 /nfs/dbraw/zinc/83/45/55/1394834555.db2.gz JJZCWYQMVORZOG-UHFFFAOYSA-N 1 3 345.531 3.108 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001483913129 1395142000 /nfs/dbraw/zinc/14/20/00/1395142000.db2.gz FLWBONGAGATAMW-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378373 1395860040 /nfs/dbraw/zinc/86/00/40/1395860040.db2.gz VMHSFMGNZOBHQR-APWZRJJASA-N 1 3 333.520 3.087 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378373 1395860043 /nfs/dbraw/zinc/86/00/43/1395860043.db2.gz VMHSFMGNZOBHQR-APWZRJJASA-N 1 3 333.520 3.087 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486241942 1396187970 /nfs/dbraw/zinc/18/79/70/1396187970.db2.gz ZRUJIODZHNBURR-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](C[NH2+]CC/C=C\c1ccccc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082766 1396598109 /nfs/dbraw/zinc/59/81/09/1396598109.db2.gz UCNMRZWWAMPWTO-RUEYPURISA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180358 1396620628 /nfs/dbraw/zinc/62/06/28/1396620628.db2.gz YQGPSGJNMAPIPX-MJGOQNOKSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001497765651 1396836011 /nfs/dbraw/zinc/83/60/11/1396836011.db2.gz SRHBUSDCMVPCAA-IYKSTZQJSA-N 1 3 337.895 3.003 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001699017256 1406850382 /nfs/dbraw/zinc/85/03/82/1406850382.db2.gz MQDRIAVLTCQFFE-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001699017256 1406850385 /nfs/dbraw/zinc/85/03/85/1406850385.db2.gz MQDRIAVLTCQFFE-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001690318186 1404475185 /nfs/dbraw/zinc/47/51/85/1404475185.db2.gz QAQLIGRBMQGXGX-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC001690318186 1404475188 /nfs/dbraw/zinc/47/51/88/1404475188.db2.gz QAQLIGRBMQGXGX-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690436737 1404559122 /nfs/dbraw/zinc/55/91/22/1404559122.db2.gz PGHJCCZIKDXBTA-SLVIYJBESA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)=CCN1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001690450192 1404575893 /nfs/dbraw/zinc/57/58/93/1404575893.db2.gz BTPYIOCRGOEXBW-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001690546224 1404629067 /nfs/dbraw/zinc/62/90/67/1404629067.db2.gz NIUBXLGIMCMNRE-VNCLNFNDSA-N 1 3 349.494 3.244 10 0 EGAEHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001690628383 1404663372 /nfs/dbraw/zinc/66/33/72/1404663372.db2.gz LUOOJAQCFPSLLY-PXNSSMCTSA-N 1 3 345.531 3.106 10 0 EGAEHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691065836 1404992341 /nfs/dbraw/zinc/99/23/41/1404992341.db2.gz GXMQLGSZOWSYKX-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163048 1405098576 /nfs/dbraw/zinc/09/85/76/1405098576.db2.gz NEJYLQIXTVTQTO-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163048 1405098582 /nfs/dbraw/zinc/09/85/82/1405098582.db2.gz NEJYLQIXTVTQTO-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163049 1405098680 /nfs/dbraw/zinc/09/86/80/1405098680.db2.gz NEJYLQIXTVTQTO-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163049 1405098685 /nfs/dbraw/zinc/09/86/85/1405098685.db2.gz NEJYLQIXTVTQTO-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]C/C=C/Cl ZINC001691411844 1405250645 /nfs/dbraw/zinc/25/06/45/1405250645.db2.gz YEGDJDVDRRIRFX-JSMQFAGNSA-N 1 3 343.943 3.076 10 0 EGAEHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691680003 1405416026 /nfs/dbraw/zinc/41/60/26/1405416026.db2.gz ZUBINLSAZOZKHU-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C)N1CCCC1 ZINC001691765808 1405478781 /nfs/dbraw/zinc/47/87/81/1405478781.db2.gz ZIGUJVBJAMDHGI-YZGWKJHDSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C)N1CCCC1 ZINC001691765808 1405478784 /nfs/dbraw/zinc/47/87/84/1405478784.db2.gz ZIGUJVBJAMDHGI-YZGWKJHDSA-N 1 3 349.563 3.266 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001691960334 1405677603 /nfs/dbraw/zinc/67/76/03/1405677603.db2.gz PAARJFMENXBUJA-UCFODXPJSA-N 1 3 349.563 3.386 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001692280101 1405915051 /nfs/dbraw/zinc/91/50/51/1405915051.db2.gz OKHJUPGQHBPHTG-QGZVFWFLSA-N 1 3 348.535 3.448 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001692280101 1405915054 /nfs/dbraw/zinc/91/50/54/1405915054.db2.gz OKHJUPGQHBPHTG-QGZVFWFLSA-N 1 3 348.535 3.448 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001692394888 1405996027 /nfs/dbraw/zinc/99/60/27/1405996027.db2.gz VQSOZAJNVXNHAC-QRVBRYPASA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001692394888 1405996029 /nfs/dbraw/zinc/99/60/29/1405996029.db2.gz VQSOZAJNVXNHAC-QRVBRYPASA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176355 1428421845 /nfs/dbraw/zinc/42/18/45/1428421845.db2.gz SUYUPSQIUKXDSN-PMACEKPBSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CCCCN1C(C)C ZINC001732470289 1428598728 /nfs/dbraw/zinc/59/87/28/1428598728.db2.gz RLPOSCQSXNZRBI-RTBURBONSA-N 1 3 337.552 3.170 10 0 EGAEHO CCN(CC[NH2+]CCC1CCCCCC1)C(=O)C1(N(C)C)CCC1 ZINC001699184200 1412558588 /nfs/dbraw/zinc/55/85/88/1412558588.db2.gz JDMIYCSHCZUWRF-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001699554751 1412922030 /nfs/dbraw/zinc/92/20/30/1412922030.db2.gz YEUXMLVOXPOPAQ-QUCCMNQESA-N 1 3 345.531 3.369 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575698 1412932093 /nfs/dbraw/zinc/93/20/93/1412932093.db2.gz IBRVURQKJYTRNW-PMACEKPBSA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001699750310 1413158421 /nfs/dbraw/zinc/15/84/21/1413158421.db2.gz IDKZIDIWYZCXGS-QWNKOJSDSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001699767959 1413173342 /nfs/dbraw/zinc/17/33/42/1413173342.db2.gz YTFXTMGHXRUOGZ-PRPIBZDOSA-N 1 3 343.515 3.299 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805340 1413219332 /nfs/dbraw/zinc/21/93/32/1413219332.db2.gz QROQZFYCRFTLKU-XQQSMPNESA-N 1 3 344.503 3.013 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805340 1413219334 /nfs/dbraw/zinc/21/93/34/1413219334.db2.gz QROQZFYCRFTLKU-XQQSMPNESA-N 1 3 344.503 3.013 10 0 EGAEHO C[C@@H](c1ccccc1Cl)N1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824713 1413249440 /nfs/dbraw/zinc/24/94/40/1413249440.db2.gz RIVLQPOECJRGKG-HNAYVOBHSA-N 1 3 349.906 3.077 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001699968610 1413408068 /nfs/dbraw/zinc/40/80/68/1413408068.db2.gz HANCQGRZGNKNBO-FXAWDEMLSA-N 1 3 343.515 3.012 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001700089738 1413500502 /nfs/dbraw/zinc/50/05/02/1413500502.db2.gz FVHFBHNDJSSLRP-IBGZPJMESA-N 1 3 331.504 3.017 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001700089738 1413500506 /nfs/dbraw/zinc/50/05/06/1413500506.db2.gz FVHFBHNDJSSLRP-IBGZPJMESA-N 1 3 331.504 3.017 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094336 1413508595 /nfs/dbraw/zinc/50/85/95/1413508595.db2.gz SMMLEHJIODKHQJ-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700520305 1414175056 /nfs/dbraw/zinc/17/50/56/1414175056.db2.gz BFNVIAPGVGCFBP-UHFFFAOYSA-N 1 3 337.552 3.316 10 0 EGAEHO CN(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC1=CCCCC1 ZINC001732584838 1428796418 /nfs/dbraw/zinc/79/64/18/1428796418.db2.gz DAVHZAYECMKAHA-FQEVSTJZSA-N 1 3 347.547 3.284 10 0 EGAEHO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC1=CCCCC1 ZINC001732584838 1428796421 /nfs/dbraw/zinc/79/64/21/1428796421.db2.gz DAVHZAYECMKAHA-FQEVSTJZSA-N 1 3 347.547 3.284 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001700853977 1414501361 /nfs/dbraw/zinc/50/13/61/1414501361.db2.gz OWFSUGDHPAQSPS-FXAWDEMLSA-N 1 3 345.531 3.377 10 0 EGAEHO CCC(CC)C[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001701031034 1414694209 /nfs/dbraw/zinc/69/42/09/1414694209.db2.gz URHYIMQFLZIFQZ-KRWDZBQOSA-N 1 3 349.563 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941874 1429065760 /nfs/dbraw/zinc/06/57/60/1429065760.db2.gz HCBZELMPCAJKLG-OVKVCFKUSA-N 1 3 349.563 3.339 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001707424893 1417331904 /nfs/dbraw/zinc/33/19/04/1417331904.db2.gz ZGASKGNINMZDGM-ICSRJNTNSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001707424893 1417331906 /nfs/dbraw/zinc/33/19/06/1417331906.db2.gz ZGASKGNINMZDGM-ICSRJNTNSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)c1ccccc1F ZINC001713013333 1417566657 /nfs/dbraw/zinc/56/66/57/1417566657.db2.gz TUQYQWHULUSJQQ-JFIYKMOQSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)c1ccccc1F ZINC001713013333 1417566659 /nfs/dbraw/zinc/56/66/59/1417566659.db2.gz TUQYQWHULUSJQQ-JFIYKMOQSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713134106 1417711848 /nfs/dbraw/zinc/71/18/48/1417711848.db2.gz HFBKBXAOBOZHHH-GOSISDBHSA-N 1 3 337.552 3.101 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713134106 1417711849 /nfs/dbraw/zinc/71/18/49/1417711849.db2.gz HFBKBXAOBOZHHH-GOSISDBHSA-N 1 3 337.552 3.101 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001733063631 1429215232 /nfs/dbraw/zinc/21/52/32/1429215232.db2.gz XNIABJMGHPJUNL-MSOLQXFVSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001733063631 1429215233 /nfs/dbraw/zinc/21/52/33/1429215233.db2.gz XNIABJMGHPJUNL-MSOLQXFVSA-N 1 3 333.520 3.143 10 0 EGAEHO CC(C)(C(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CC1)N1CCCCC1 ZINC001733169986 1429272750 /nfs/dbraw/zinc/27/27/50/1429272750.db2.gz DFQBKQVAJPCTKL-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001714127443 1418931591 /nfs/dbraw/zinc/93/15/91/1418931591.db2.gz DVJMDNAMCHNSLF-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H](C)c2ccc(F)cc2)CCCC1 ZINC001714151368 1418957786 /nfs/dbraw/zinc/95/77/86/1418957786.db2.gz MGDZBUXHPYOMSY-MRXNPFEDSA-N 1 3 349.494 3.246 10 0 EGAEHO CCC(CC)C[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001714152728 1418959983 /nfs/dbraw/zinc/95/99/83/1418959983.db2.gz ZNFUQKPLRXCOLL-CALCHBBNSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624492 1419393523 /nfs/dbraw/zinc/39/35/23/1419393523.db2.gz WTZAAJSEHQGAOB-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624492 1419393525 /nfs/dbraw/zinc/39/35/25/1419393525.db2.gz WTZAAJSEHQGAOB-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCN1CCC1CCCCCC1)[NH+]1CCCC1 ZINC001733219787 1429339522 /nfs/dbraw/zinc/33/95/22/1429339522.db2.gz RQQNDEILROUAAK-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077156 1419811830 /nfs/dbraw/zinc/81/18/30/1419811830.db2.gz YOKYYTDNSHBAFZ-RBUKOAKNSA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001715210638 1419943482 /nfs/dbraw/zinc/94/34/82/1419943482.db2.gz SGDINAOYMZEXPZ-LSLCWXNRSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001715238550 1419969077 /nfs/dbraw/zinc/96/90/77/1419969077.db2.gz ZWROPAAQMGTYTM-BBIZLLLXSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC001715657331 1420281745 /nfs/dbraw/zinc/28/17/45/1420281745.db2.gz BSNWPESKAFCEJI-QZTJIDSGSA-N 1 3 325.541 3.027 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001715710349 1420305534 /nfs/dbraw/zinc/30/55/34/1420305534.db2.gz BCQPVXPTWJLCOW-UYAOXDASSA-N 1 3 345.531 3.162 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829335 1420359905 /nfs/dbraw/zinc/35/99/05/1420359905.db2.gz SQFBPRAYYLZKKQ-LUODXLFYSA-N 1 3 347.478 3.023 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001715829335 1420359908 /nfs/dbraw/zinc/35/99/08/1420359908.db2.gz SQFBPRAYYLZKKQ-LUODXLFYSA-N 1 3 347.478 3.023 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001715911573 1420394200 /nfs/dbraw/zinc/39/42/00/1420394200.db2.gz ICPAFHIXJJAXPL-YVACAVLKSA-N 1 3 337.895 3.003 10 0 EGAEHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716222373 1420571092 /nfs/dbraw/zinc/57/10/92/1420571092.db2.gz YNDSLZKCXVFWQH-DLBZAZTESA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001716222373 1420571094 /nfs/dbraw/zinc/57/10/94/1420571094.db2.gz YNDSLZKCXVFWQH-DLBZAZTESA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001716489107 1420709686 /nfs/dbraw/zinc/70/96/86/1420709686.db2.gz AWBQGGYNSXENOY-QGZVFWFLSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001716489107 1420709689 /nfs/dbraw/zinc/70/96/89/1420709689.db2.gz AWBQGGYNSXENOY-QGZVFWFLSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269556 1429430787 /nfs/dbraw/zinc/43/07/87/1429430787.db2.gz PGHGLCVHBIYRMP-RTBURBONSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269556 1429430789 /nfs/dbraw/zinc/43/07/89/1429430789.db2.gz PGHGLCVHBIYRMP-RTBURBONSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001716984636 1421061555 /nfs/dbraw/zinc/06/15/55/1421061555.db2.gz MAGYDAQYRXVZOP-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001717002681 1421072170 /nfs/dbraw/zinc/07/21/70/1421072170.db2.gz ZJVWPHBJWYQBKJ-KZNAEPCWSA-N 1 3 337.552 3.029 10 0 EGAEHO CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041375 1421095761 /nfs/dbraw/zinc/09/57/61/1421095761.db2.gz FVOQSTPSUSTICM-UVRCQCPESA-N 1 3 347.547 3.138 10 0 EGAEHO CC/C=C\CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041375 1421095764 /nfs/dbraw/zinc/09/57/64/1421095764.db2.gz FVOQSTPSUSTICM-UVRCQCPESA-N 1 3 347.547 3.138 10 0 EGAEHO CCc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202428 1421171163 /nfs/dbraw/zinc/17/11/63/1421171163.db2.gz RZYALZXXHCYQPJ-FQEVSTJZSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202428 1421171164 /nfs/dbraw/zinc/17/11/64/1421171164.db2.gz RZYALZXXHCYQPJ-FQEVSTJZSA-N 1 3 345.531 3.060 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001717301201 1421243663 /nfs/dbraw/zinc/24/36/63/1421243663.db2.gz HKFGAQPXJWROJQ-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC001717336890 1421274220 /nfs/dbraw/zinc/27/42/20/1421274220.db2.gz TYDZVSZHVGHRQT-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC001717336890 1421274221 /nfs/dbraw/zinc/27/42/21/1421274221.db2.gz TYDZVSZHVGHRQT-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCC[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001717446569 1421376125 /nfs/dbraw/zinc/37/61/25/1421376125.db2.gz GGZQRYCOZSMUPH-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001717632927 1421542753 /nfs/dbraw/zinc/54/27/53/1421542753.db2.gz WOJPXEDRWBHZDW-MHACMEGNSA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C\CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001717632927 1421542756 /nfs/dbraw/zinc/54/27/56/1421542756.db2.gz WOJPXEDRWBHZDW-MHACMEGNSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730260 1421596621 /nfs/dbraw/zinc/59/66/21/1421596621.db2.gz SVGQDGGTNCQFLB-UXHICEINSA-N 1 3 349.563 3.266 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001717893866 1421692275 /nfs/dbraw/zinc/69/22/75/1421692275.db2.gz IEOZKYMCDBLBIE-ROUUACIJSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001733329310 1429514820 /nfs/dbraw/zinc/51/48/20/1429514820.db2.gz AWNLKJIUIYZTIR-YLJYHZDGSA-N 1 3 343.515 3.297 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001733329308 1429514867 /nfs/dbraw/zinc/51/48/67/1429514867.db2.gz AWNLKJIUIYZTIR-XLIONFOSSA-N 1 3 343.515 3.297 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CCCC2)cc1 ZINC001733386932 1429574570 /nfs/dbraw/zinc/57/45/70/1429574570.db2.gz JQHRKJIRBVLONE-FQEVSTJZSA-N 1 3 345.531 3.100 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723855170 1424586052 /nfs/dbraw/zinc/58/60/52/1424586052.db2.gz DXJRWCCLSOJMPB-IEBWSBKVSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001724126256 1424677449 /nfs/dbraw/zinc/67/74/49/1424677449.db2.gz QLWXDNJKARFJHP-HXUWFJFHSA-N 1 3 346.519 3.237 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001724126256 1424677450 /nfs/dbraw/zinc/67/74/50/1424677450.db2.gz QLWXDNJKARFJHP-HXUWFJFHSA-N 1 3 346.519 3.237 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175757 1424711184 /nfs/dbraw/zinc/71/11/84/1424711184.db2.gz PQFYCESHLCAYGC-WIYYLYMNSA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175757 1424711188 /nfs/dbraw/zinc/71/11/88/1424711188.db2.gz PQFYCESHLCAYGC-WIYYLYMNSA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175757 1424711191 /nfs/dbraw/zinc/71/11/91/1424711191.db2.gz PQFYCESHLCAYGC-WIYYLYMNSA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175756 1424711738 /nfs/dbraw/zinc/71/17/38/1424711738.db2.gz PQFYCESHLCAYGC-RXVVDRJESA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175756 1424711743 /nfs/dbraw/zinc/71/17/43/1424711743.db2.gz PQFYCESHLCAYGC-RXVVDRJESA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175756 1424711744 /nfs/dbraw/zinc/71/17/44/1424711744.db2.gz PQFYCESHLCAYGC-RXVVDRJESA-N 1 3 343.515 3.032 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001724660013 1425041708 /nfs/dbraw/zinc/04/17/08/1425041708.db2.gz WIWSGTWSRJMSBE-SLFFLAALSA-N 1 3 349.563 3.220 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001724660013 1425041720 /nfs/dbraw/zinc/04/17/20/1425041720.db2.gz WIWSGTWSRJMSBE-SLFFLAALSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724753112 1425123100 /nfs/dbraw/zinc/12/31/00/1425123100.db2.gz YACDOTJINOZQNT-GOSISDBHSA-N 1 3 343.515 3.156 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001725149075 1425632977 /nfs/dbraw/zinc/63/29/77/1425632977.db2.gz YCXVFSVVSVQQCQ-LJQANCHMSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001725166402 1425670982 /nfs/dbraw/zinc/67/09/82/1425670982.db2.gz NINKGCMDNIETTQ-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001725166402 1425670986 /nfs/dbraw/zinc/67/09/86/1425670986.db2.gz NINKGCMDNIETTQ-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001731377923 1427312288 /nfs/dbraw/zinc/31/22/88/1427312288.db2.gz OJUJXEJVBGEXPU-WYNBNGFRSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544556 1427560900 /nfs/dbraw/zinc/56/09/00/1427560900.db2.gz WFFCNFYARQTHPK-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544556 1427560906 /nfs/dbraw/zinc/56/09/06/1427560906.db2.gz WFFCNFYARQTHPK-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001731591462 1427633548 /nfs/dbraw/zinc/63/35/48/1427633548.db2.gz FYWBIBXPTIEYDM-XLIONFOSSA-N 1 3 345.531 3.277 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001731679108 1427727414 /nfs/dbraw/zinc/72/74/14/1427727414.db2.gz HDRJOIKFENNXSD-LJQANCHMSA-N 1 3 345.531 3.090 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692945 1427741870 /nfs/dbraw/zinc/74/18/70/1427741870.db2.gz QCLQGPINRPAYOM-RTBURBONSA-N 1 3 349.563 3.458 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837911 1428055297 /nfs/dbraw/zinc/05/52/97/1428055297.db2.gz IVLFPMDPZRMDRZ-PRPIBZDOSA-N 1 3 343.515 3.299 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837911 1428055301 /nfs/dbraw/zinc/05/53/01/1428055301.db2.gz IVLFPMDPZRMDRZ-PRPIBZDOSA-N 1 3 343.515 3.299 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001733682761 1429896550 /nfs/dbraw/zinc/89/65/50/1429896550.db2.gz VTGJDWDXMAEWJH-KRWDZBQOSA-N 1 3 343.515 3.404 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1 ZINC001733860689 1437690954 /nfs/dbraw/zinc/69/09/54/1437690954.db2.gz XGDCUCTTXOJCBS-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001733911064 1437729383 /nfs/dbraw/zinc/72/93/83/1437729383.db2.gz ITUDXFXIBHVFHF-LJQANCHMSA-N 1 3 349.563 3.366 10 0 EGAEHO CC[N@H+](CCC(C)C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001733918448 1437731676 /nfs/dbraw/zinc/73/16/76/1437731676.db2.gz OFJFLTQZUUXHLE-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[N@@H+](CCC(C)C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001733918448 1437731679 /nfs/dbraw/zinc/73/16/79/1437731679.db2.gz OFJFLTQZUUXHLE-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC1CC(C[N@@H+]2CCCCC[C@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001734104451 1437890000 /nfs/dbraw/zinc/89/00/00/1437890000.db2.gz UFDWHNPBNPOHAB-ACBHZAAOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CC(C[N@H+]2CCCCC[C@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001734104451 1437890001 /nfs/dbraw/zinc/89/00/01/1437890001.db2.gz UFDWHNPBNPOHAB-ACBHZAAOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)c1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001734150029 1437917476 /nfs/dbraw/zinc/91/74/76/1437917476.db2.gz OHJFLMDYLHOOIP-LJQANCHMSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001734574686 1438168143 /nfs/dbraw/zinc/16/81/43/1438168143.db2.gz CNOREZKTGBRAKL-GOSISDBHSA-N 1 3 333.520 3.282 10 0 EGAEHO CN(CC(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001734596753 1438181166 /nfs/dbraw/zinc/18/11/66/1438181166.db2.gz GGYXFDYEMSGYAM-UHFFFAOYSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCN(C(=O)CC[C@@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193301669 240096799 /nfs/dbraw/zinc/09/67/99/240096799.db2.gz VENSOCLBRHWLJY-IEBWSBKVSA-N 1 3 331.504 3.017 10 0 EGAEHO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000071825213 203121128 /nfs/dbraw/zinc/12/11/28/203121128.db2.gz JAQQSNXYJXMWLY-CQSZACIVSA-N 1 3 336.439 3.397 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130484474 205242586 /nfs/dbraw/zinc/24/25/86/205242586.db2.gz HFNOPCVMNUXISO-RTWAWAEBSA-N 1 3 329.532 3.330 10 0 EGAEHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000377388206 169019029 /nfs/dbraw/zinc/01/90/29/169019029.db2.gz CYWHMWUQYFQIPI-UHFFFAOYSA-N 1 3 349.478 3.334 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1)C(C)C ZINC000247365359 285096645 /nfs/dbraw/zinc/09/66/45/285096645.db2.gz KKDOGCRGBUCIEA-FXAWDEMLSA-N 1 3 345.531 3.472 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1)C(C)C ZINC000247365359 285096646 /nfs/dbraw/zinc/09/66/46/285096646.db2.gz KKDOGCRGBUCIEA-FXAWDEMLSA-N 1 3 345.531 3.472 10 0 EGAEHO COC(C)(C)CCN1CCC[C@@H]([N@H+](C)CCC(C)(C)OC)CC1 ZINC000346440175 292053930 /nfs/dbraw/zinc/05/39/30/292053930.db2.gz WUMOQEWCJRKWPA-QGZVFWFLSA-N 1 3 328.541 3.403 10 0 EGAEHO COC(C)(C)CCN1CCC[C@@H]([N@@H+](C)CCC(C)(C)OC)CC1 ZINC000346440175 292053931 /nfs/dbraw/zinc/05/39/31/292053931.db2.gz WUMOQEWCJRKWPA-QGZVFWFLSA-N 1 3 328.541 3.403 10 0 EGAEHO COC(C)(C)CCN(C)[C@@H]1CCC[N@H+](CCC(C)(C)OC)CC1 ZINC000346440175 292053933 /nfs/dbraw/zinc/05/39/33/292053933.db2.gz WUMOQEWCJRKWPA-QGZVFWFLSA-N 1 3 328.541 3.403 10 0 EGAEHO COC(C)(C)CCN(C)[C@@H]1CCC[N@@H+](CCC(C)(C)OC)CC1 ZINC000346440175 292053934 /nfs/dbraw/zinc/05/39/34/292053934.db2.gz WUMOQEWCJRKWPA-QGZVFWFLSA-N 1 3 328.541 3.403 10 0 EGAEHO c1cnn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000248400533 163000338 /nfs/dbraw/zinc/00/03/38/163000338.db2.gz LCJDYTFVAIFSAG-PCCBWWKXSA-N 1 3 338.499 3.164 10 0 EGAEHO OCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248410803 163001897 /nfs/dbraw/zinc/00/18/97/163001897.db2.gz YIPJPIDFGNKIBG-PWRODBHTSA-N 1 3 330.516 3.429 10 0 EGAEHO CCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248880154 163040953 /nfs/dbraw/zinc/04/09/53/163040953.db2.gz KLIJHZMILORTMQ-MXEMCNAFSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248880154 163040957 /nfs/dbraw/zinc/04/09/57/163040957.db2.gz KLIJHZMILORTMQ-MXEMCNAFSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248880154 163040960 /nfs/dbraw/zinc/04/09/60/163040960.db2.gz KLIJHZMILORTMQ-MXEMCNAFSA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@H]1C[C@H](C[N@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317719 165029849 /nfs/dbraw/zinc/02/98/49/165029849.db2.gz MWQFTHAERNJUAZ-PKOBYXMFSA-N 1 3 331.504 3.435 10 0 EGAEHO C[C@H]1C[C@H](C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317719 165029852 /nfs/dbraw/zinc/02/98/52/165029852.db2.gz MWQFTHAERNJUAZ-PKOBYXMFSA-N 1 3 331.504 3.435 10 0 EGAEHO c1c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000355207002 166133501 /nfs/dbraw/zinc/13/35/01/166133501.db2.gz WNOQDXXJEZAIER-SFHVURJKSA-N 1 3 347.466 3.083 10 0 EGAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000355598375 166256193 /nfs/dbraw/zinc/25/61/93/166256193.db2.gz JGZJVKUIFPJWBU-AOIWGVFYSA-N 1 3 348.535 3.016 10 0 EGAEHO CC(C)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000359226878 167101232 /nfs/dbraw/zinc/10/12/32/167101232.db2.gz GQZWEGLPIPMRCR-SFTDATJTSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000359226878 167101233 /nfs/dbraw/zinc/10/12/33/167101233.db2.gz GQZWEGLPIPMRCR-SFTDATJTSA-N 1 3 339.483 3.135 10 0 EGAEHO COc1ccccc1NC(=O)C[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000268875945 274161880 /nfs/dbraw/zinc/16/18/80/274161880.db2.gz DTWGKAKYOIHGQA-HNNXBMFYSA-N 1 3 345.487 3.019 10 0 EGAEHO C[NH+](C)CC1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000119963297 307502063 /nfs/dbraw/zinc/50/20/63/307502063.db2.gz LYQRIFWSDVHGOA-UHFFFAOYSA-N 1 3 343.515 3.133 10 0 EGAEHO Cc1ccc(CNCCC[NH2+]Cc2cccnc2)cc1Br ZINC000414879614 309106954 /nfs/dbraw/zinc/10/69/54/309106954.db2.gz PHLXCWVSWYWZMH-UHFFFAOYSA-N 1 3 348.288 3.422 10 0 EGAEHO COc1ccc([C@@H](CNC[C@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085390 309119307 /nfs/dbraw/zinc/11/93/07/309119307.db2.gz QCGYZQSDIJTLMT-UYAOXDASSA-N 1 3 333.520 3.185 10 0 EGAEHO COc1ccc([C@@H](C[NH2+]C[C@H](N)CC(C)C)N2CCCCC2)cc1 ZINC000415085390 309119308 /nfs/dbraw/zinc/11/93/08/309119308.db2.gz QCGYZQSDIJTLMT-UYAOXDASSA-N 1 3 333.520 3.185 10 0 EGAEHO COc1ccc([C@H](CNC[C@@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085387 309119427 /nfs/dbraw/zinc/11/94/27/309119427.db2.gz QCGYZQSDIJTLMT-ICSRJNTNSA-N 1 3 333.520 3.185 10 0 EGAEHO COc1ccc([C@H](C[NH2+]C[C@@H](N)CC(C)C)N2CCCCC2)cc1 ZINC000415085387 309119428 /nfs/dbraw/zinc/11/94/28/309119428.db2.gz QCGYZQSDIJTLMT-ICSRJNTNSA-N 1 3 333.520 3.185 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000415896219 309146553 /nfs/dbraw/zinc/14/65/53/309146553.db2.gz CZQQMIJURKIUOP-IRXDYDNUSA-N 1 3 346.519 3.286 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000420984412 309305866 /nfs/dbraw/zinc/30/58/66/309305866.db2.gz TUCCKEIBCQPQET-SFHVURJKSA-N 1 3 345.531 3.248 10 0 EGAEHO CCN1CCC([N@H+]2CCCN([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000420984412 309305867 /nfs/dbraw/zinc/30/58/67/309305867.db2.gz TUCCKEIBCQPQET-SFHVURJKSA-N 1 3 345.531 3.248 10 0 EGAEHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422701612 309363781 /nfs/dbraw/zinc/36/37/81/309363781.db2.gz DLKAMCVRXHBVMP-SLFFLAALSA-N 1 3 349.563 3.314 10 0 EGAEHO COc1ccc(CCC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422711759 309364506 /nfs/dbraw/zinc/36/45/06/309364506.db2.gz GECJQKMPFFVVKJ-CQSZACIVSA-N 1 3 343.471 3.149 10 0 EGAEHO N[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720436 309364951 /nfs/dbraw/zinc/36/49/51/309364951.db2.gz ZOEDQZUAZFQMDZ-IAGOWNOFSA-N 1 3 341.421 3.139 10 0 EGAEHO [NH3+][C@@H]1CCC[C@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720436 309364952 /nfs/dbraw/zinc/36/49/52/309364952.db2.gz ZOEDQZUAZFQMDZ-IAGOWNOFSA-N 1 3 341.421 3.139 10 0 EGAEHO COc1ccc([C@H](NC[C@H](CC(C)C)N(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422819980 309370174 /nfs/dbraw/zinc/37/01/74/309370174.db2.gz OQXJFPXRRWYDGX-SXLOBPIMSA-N 1 3 333.520 3.054 10 0 EGAEHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422840959 309371363 /nfs/dbraw/zinc/37/13/63/309371363.db2.gz CKOVFKQBUGTZIG-OWCLPIDISA-N 1 3 325.859 3.085 10 0 EGAEHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875330 309373222 /nfs/dbraw/zinc/37/32/22/309373222.db2.gz DTYJLRBCYFHNRS-GUDVDZBRSA-N 1 3 341.524 3.317 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422876107 309373490 /nfs/dbraw/zinc/37/34/90/309373490.db2.gz PUSWFMABSJUSJV-INDMIFKZSA-N 1 3 343.515 3.174 10 0 EGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903971 309375348 /nfs/dbraw/zinc/37/53/48/309375348.db2.gz GEJDFMRAQUBXNA-YZVOILCLSA-N 1 3 337.458 3.036 10 0 EGAEHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903971 309375349 /nfs/dbraw/zinc/37/53/49/309375349.db2.gz GEJDFMRAQUBXNA-YZVOILCLSA-N 1 3 337.458 3.036 10 0 EGAEHO COc1ccc(C[C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422927023 309376494 /nfs/dbraw/zinc/37/64/94/309376494.db2.gz XXVFNTPVJYTHQX-MORSLUCNSA-N 1 3 326.440 3.369 10 0 EGAEHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094718 309385749 /nfs/dbraw/zinc/38/57/49/309385749.db2.gz KPIZJTYLMNCRCQ-MANSERQUSA-N 1 3 335.536 3.068 10 0 EGAEHO Cc1c([C@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255041 309392487 /nfs/dbraw/zinc/39/24/87/309392487.db2.gz ANFHLCQRHPGEOG-ZFWWWQNUSA-N 1 3 347.894 3.269 10 0 EGAEHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000423291972 309394068 /nfs/dbraw/zinc/39/40/68/309394068.db2.gz KURLWIJXIFMUSG-LSDHHAIUSA-N 1 3 325.456 3.259 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423291962 309394082 /nfs/dbraw/zinc/39/40/82/309394082.db2.gz KTRAWEQPJOJROJ-IRXDYDNUSA-N 1 3 339.483 3.394 10 0 EGAEHO CCC([NH3+])(CC)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000423290255 309394102 /nfs/dbraw/zinc/39/41/02/309394102.db2.gz CNWIABVOVIZZOB-CYBMUJFWSA-N 1 3 325.294 3.414 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123155 311664910 /nfs/dbraw/zinc/66/49/10/311664910.db2.gz NTMXRFYHIMMZEL-NXOAAHMSSA-N 1 3 339.524 3.094 10 0 EGAEHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000513009092 312199816 /nfs/dbraw/zinc/19/98/16/312199816.db2.gz OMFOIWKBXUTKOS-PEZBUJJGSA-N 1 3 335.923 3.359 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000516570627 312330343 /nfs/dbraw/zinc/33/03/43/312330343.db2.gz CNHQJVIGCMENLE-SWLSCSKDSA-N 1 3 329.469 3.053 10 0 EGAEHO OC1(CN2CC[C@@H](C[NH+]3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385694 313080611 /nfs/dbraw/zinc/08/06/11/313080611.db2.gz DQCVTZKXIUQOQC-KPQWGBOZSA-N 1 3 342.527 3.493 10 0 EGAEHO OC1(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385694 313080615 /nfs/dbraw/zinc/08/06/15/313080615.db2.gz DQCVTZKXIUQOQC-KPQWGBOZSA-N 1 3 342.527 3.493 10 0 EGAEHO OC1(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385694 313080618 /nfs/dbraw/zinc/08/06/18/313080618.db2.gz DQCVTZKXIUQOQC-KPQWGBOZSA-N 1 3 342.527 3.493 10 0 EGAEHO CN1CCC[C@H]1CC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528577014 313122258 /nfs/dbraw/zinc/12/22/58/313122258.db2.gz FKRRWSXGDGKGLS-SFHVURJKSA-N 1 3 346.519 3.466 10 0 EGAEHO CC(C)Oc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240387 313504337 /nfs/dbraw/zinc/50/43/37/313504337.db2.gz LIPLMRPMJJGAFQ-HXUWFJFHSA-N 1 3 332.488 3.064 10 0 EGAEHO CC[NH+](CC)CC1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000536996288 314155972 /nfs/dbraw/zinc/15/59/72/314155972.db2.gz RQSYQVSBZCIXDB-OAHLLOKOSA-N 1 3 336.476 3.489 10 0 EGAEHO C[C@H](CCc1ccccc1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000539382536 314310178 /nfs/dbraw/zinc/31/01/78/314310178.db2.gz OBQBWIBNZSPOTF-IFMALSPDSA-N 1 3 343.559 3.357 10 0 EGAEHO C[C@H](CCc1ccccc1)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000539382536 314310179 /nfs/dbraw/zinc/31/01/79/314310179.db2.gz OBQBWIBNZSPOTF-IFMALSPDSA-N 1 3 343.559 3.357 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549614135 315098978 /nfs/dbraw/zinc/09/89/78/315098978.db2.gz MZPWIZUXGRZTLT-UXPWSPDFSA-N 1 3 339.483 3.304 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000552046859 315192920 /nfs/dbraw/zinc/19/29/20/315192920.db2.gz UYGIOLUVNKXNBG-LNRXMEIDSA-N 1 3 341.543 3.013 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@H]2CCC[C@H]21 ZINC000552066909 315195106 /nfs/dbraw/zinc/19/51/06/315195106.db2.gz UIHOGEBNLIFBQE-YZGWKJHDSA-N 1 3 347.934 3.161 10 0 EGAEHO C[N@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@H]2CCC[C@H]21 ZINC000552066909 315195108 /nfs/dbraw/zinc/19/51/08/315195108.db2.gz UIHOGEBNLIFBQE-YZGWKJHDSA-N 1 3 347.934 3.161 10 0 EGAEHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183680515 455320653 /nfs/dbraw/zinc/32/06/53/455320653.db2.gz RBLQVODHDWFVPA-INIZCTEOSA-N 1 3 332.488 3.492 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccccc1F ZINC000130314713 454189289 /nfs/dbraw/zinc/18/92/89/454189289.db2.gz BYQGRXCCDXSSPL-CZAAIQMYSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccccc1F ZINC000130314713 454189294 /nfs/dbraw/zinc/18/92/94/454189294.db2.gz BYQGRXCCDXSSPL-CZAAIQMYSA-N 1 3 342.458 3.359 10 0 EGAEHO c1cnn(-c2ccccc2CNCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000072312291 454293207 /nfs/dbraw/zinc/29/32/07/454293207.db2.gz PAIUKSBWRPIXMM-UHFFFAOYSA-N 1 3 346.478 3.410 10 0 EGAEHO c1cnn(-c2ccccc2CNCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000072312291 454293212 /nfs/dbraw/zinc/29/32/12/454293212.db2.gz PAIUKSBWRPIXMM-UHFFFAOYSA-N 1 3 346.478 3.410 10 0 EGAEHO CN(Cc1ccco1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121158286 454399915 /nfs/dbraw/zinc/39/99/15/454399915.db2.gz PABSHPGFNOURRD-FQEVSTJZSA-N 1 3 328.456 3.157 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000123452771 454638499 /nfs/dbraw/zinc/63/84/99/454638499.db2.gz IDFCSUIWQLAFCQ-HUUCEWRRSA-N 1 3 343.471 3.049 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000123452771 454638504 /nfs/dbraw/zinc/63/85/04/454638504.db2.gz IDFCSUIWQLAFCQ-HUUCEWRRSA-N 1 3 343.471 3.049 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177238563 454841456 /nfs/dbraw/zinc/84/14/56/454841456.db2.gz LOVZQCMPKQNJDJ-LJQANCHMSA-N 1 3 335.536 3.163 10 0 EGAEHO CC(C)[NH+]1CCC(Nc2cccc(CN3CCC(CO)CC3)c2)CC1 ZINC000170594019 454937097 /nfs/dbraw/zinc/93/70/97/454937097.db2.gz GOJPDNGPNOREFN-UHFFFAOYSA-N 1 3 345.531 3.176 10 0 EGAEHO COc1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1O ZINC000180116132 455134627 /nfs/dbraw/zinc/13/46/27/455134627.db2.gz NHYTWXLQQWIJNC-MRXNPFEDSA-N 1 3 346.496 3.464 10 0 EGAEHO COc1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1O ZINC000180116132 455134629 /nfs/dbraw/zinc/13/46/29/455134629.db2.gz NHYTWXLQQWIJNC-MRXNPFEDSA-N 1 3 346.496 3.464 10 0 EGAEHO CCC[NH+]1CCC(CN[C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183555110 455306021 /nfs/dbraw/zinc/30/60/21/455306021.db2.gz MCIORDXMHVLIDH-MRXNPFEDSA-N 1 3 348.487 3.011 10 0 EGAEHO CC[C@H](C)NC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737198 455369629 /nfs/dbraw/zinc/36/96/29/455369629.db2.gz QZCCXLBFKXVQNT-FRYIKTPZSA-N 1 3 343.515 3.076 10 0 EGAEHO CC[C@H](C)NC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737198 455369630 /nfs/dbraw/zinc/36/96/30/455369630.db2.gz QZCCXLBFKXVQNT-FRYIKTPZSA-N 1 3 343.515 3.076 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000245850609 455385176 /nfs/dbraw/zinc/38/51/76/455385176.db2.gz GGFRYUYCONUYQQ-DOIPELPJSA-N 1 3 342.527 3.344 10 0 EGAEHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000246263153 455460408 /nfs/dbraw/zinc/46/04/08/455460408.db2.gz OWAYXHIPBGSYPJ-RTWAWAEBSA-N 1 3 328.500 3.473 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000246263153 455460411 /nfs/dbraw/zinc/46/04/11/455460411.db2.gz OWAYXHIPBGSYPJ-RTWAWAEBSA-N 1 3 328.500 3.473 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000247101300 455559796 /nfs/dbraw/zinc/55/97/96/455559796.db2.gz QAVGDYOZBSXUEW-DBXWQHBBSA-N 1 3 329.532 3.278 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1)C(C)C ZINC000268079699 455589775 /nfs/dbraw/zinc/58/97/75/455589775.db2.gz CTFXFOWMTUVHRL-IBGZPJMESA-N 1 3 331.504 3.083 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1)C(C)C ZINC000268079699 455589776 /nfs/dbraw/zinc/58/97/76/455589776.db2.gz CTFXFOWMTUVHRL-IBGZPJMESA-N 1 3 331.504 3.083 10 0 EGAEHO c1ccc(CN2CC[C@H](N3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000271364070 455611898 /nfs/dbraw/zinc/61/18/98/455611898.db2.gz NYHHTYMXSMMSJZ-NRFANRHFSA-N 1 3 327.516 3.211 10 0 EGAEHO c1ccc(CN2CC[C@H](N3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000271364070 455611903 /nfs/dbraw/zinc/61/19/03/455611903.db2.gz NYHHTYMXSMMSJZ-NRFANRHFSA-N 1 3 327.516 3.211 10 0 EGAEHO CCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000272457671 455957532 /nfs/dbraw/zinc/95/75/32/455957532.db2.gz XKLSTEDRBDCSGQ-WKCHPHFGSA-N 1 3 327.516 3.256 10 0 EGAEHO c1ccc(OC2CCCC2)c(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261995403 455982223 /nfs/dbraw/zinc/98/22/23/455982223.db2.gz TYMGOXYILOCDEC-AQNXPRMDSA-N 1 3 344.499 3.255 10 0 EGAEHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000270986069 456087738 /nfs/dbraw/zinc/08/77/38/456087738.db2.gz WHEJJCLNOAGKDW-KRWDZBQOSA-N 1 3 343.515 3.085 10 0 EGAEHO CCCc1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301789301 456215061 /nfs/dbraw/zinc/21/50/61/456215061.db2.gz MLXNDFQGETVRQQ-JKSUJKDBSA-N 1 3 327.472 3.079 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189068434 456218356 /nfs/dbraw/zinc/21/83/56/456218356.db2.gz UOLUDVSYPUWIMZ-QGZVFWFLSA-N 1 3 344.421 3.144 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189068434 456218359 /nfs/dbraw/zinc/21/83/59/456218359.db2.gz UOLUDVSYPUWIMZ-QGZVFWFLSA-N 1 3 344.421 3.144 10 0 EGAEHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000354177043 457112432 /nfs/dbraw/zinc/11/24/32/457112432.db2.gz GAUWIUIIDBIQSR-PHASAHSISA-N 1 3 339.527 3.254 10 0 EGAEHO C[C@@H](CCC(C)(C)C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000342707733 457470780 /nfs/dbraw/zinc/47/07/80/457470780.db2.gz JYJSXKWZEGBPGM-SFHVURJKSA-N 1 3 332.536 3.398 10 0 EGAEHO CC[NH+](CC)CCCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425465400 457564630 /nfs/dbraw/zinc/56/46/30/457564630.db2.gz ZLOSMDNGHYJLOK-SFHVURJKSA-N 1 3 337.552 3.220 10 0 EGAEHO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000370653634 457691751 /nfs/dbraw/zinc/69/17/51/457691751.db2.gz SZCVPKDBADPSGR-LPHOPBHVSA-N 1 3 340.467 3.401 10 0 EGAEHO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000370653634 457691753 /nfs/dbraw/zinc/69/17/53/457691753.db2.gz SZCVPKDBADPSGR-LPHOPBHVSA-N 1 3 340.467 3.401 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411413880 457880408 /nfs/dbraw/zinc/88/04/08/457880408.db2.gz LBCZFPQEBUCDEQ-SFHVURJKSA-N 1 3 343.515 3.277 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411413880 457880415 /nfs/dbraw/zinc/88/04/15/457880415.db2.gz LBCZFPQEBUCDEQ-SFHVURJKSA-N 1 3 343.515 3.277 10 0 EGAEHO C[C@H]1C[C@@H](CCNCc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438694 458371798 /nfs/dbraw/zinc/37/17/98/458371798.db2.gz JIDCZEJHZPQFMS-PKOBYXMFSA-N 1 3 349.482 3.120 10 0 EGAEHO C[C@H]1C[C@@H](CCNCc2cn3cccnc3n2)C[N@H+]1Cc1ccccc1 ZINC000459438694 458371801 /nfs/dbraw/zinc/37/18/01/458371801.db2.gz JIDCZEJHZPQFMS-PKOBYXMFSA-N 1 3 349.482 3.120 10 0 EGAEHO NC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CCCC1 ZINC000423512108 458447683 /nfs/dbraw/zinc/44/76/83/458447683.db2.gz UODMSAMUIJMLPS-MXEMCNAFSA-N 1 3 327.516 3.289 10 0 EGAEHO COc1cccc2c1CC[C@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)C2 ZINC000423523834 458451297 /nfs/dbraw/zinc/45/12/97/458451297.db2.gz ISZYTCIXGVQCRG-VECSYPARSA-N 1 3 340.511 3.296 10 0 EGAEHO COc1cccc2c1CC[C@H](NCC1([NH3+])C3CC4CC(C3)CC1C4)C2 ZINC000423523834 458451302 /nfs/dbraw/zinc/45/13/02/458451302.db2.gz ISZYTCIXGVQCRG-VECSYPARSA-N 1 3 340.511 3.296 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531367 458452485 /nfs/dbraw/zinc/45/24/85/458452485.db2.gz SPJACLNYBXWUMO-NEYVHXMNSA-N 1 3 332.532 3.325 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000373698684 458575747 /nfs/dbraw/zinc/57/57/47/458575747.db2.gz FNRCTMMQBYDBAY-XUVXKRRUSA-N 1 3 346.515 3.312 10 0 EGAEHO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000577527931 459046716 /nfs/dbraw/zinc/04/67/16/459046716.db2.gz SESIJWBWOLKXPQ-IEBWSBKVSA-N 1 3 345.531 3.306 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000559899702 459283140 /nfs/dbraw/zinc/28/31/40/459283140.db2.gz PRDUTNALAFECGR-VHDGCEQUSA-N 1 3 328.378 3.390 10 0 EGAEHO O[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)CC1CCCC1 ZINC000569332374 459433521 /nfs/dbraw/zinc/43/35/21/459433521.db2.gz NZKDBLAVHCTRMH-SFHVURJKSA-N 1 3 336.545 3.491 10 0 EGAEHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527889058 459766790 /nfs/dbraw/zinc/76/67/90/459766790.db2.gz XXJGCGBIVZXCOD-INIZCTEOSA-N 1 3 326.488 3.470 10 0 EGAEHO FC1(F)Oc2cccc(CCNC3CC[NH+](CC4CC4)CC3)c2O1 ZINC000527951186 459781105 /nfs/dbraw/zinc/78/11/05/459781105.db2.gz YACMNKCEEOYDOL-UHFFFAOYSA-N 1 3 338.398 3.015 10 0 EGAEHO OC[C@H](c1ccc(OCCC[NH+]2CCCCC2)cc1)N1CCCCC1 ZINC000585655990 459834344 /nfs/dbraw/zinc/83/43/44/459834344.db2.gz VDKPCMIMWFRHEK-OAQYLSRUSA-N 1 3 346.515 3.461 10 0 EGAEHO CC[C@@H](NCc1ccccc1C[NH2+]C)c1ccc(C(=O)OC)cc1 ZINC000593323056 459841726 /nfs/dbraw/zinc/84/17/26/459841726.db2.gz OSJHMLZJXFJUHK-LJQANCHMSA-N 1 3 326.440 3.434 10 0 EGAEHO CC[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347942 460503034 /nfs/dbraw/zinc/50/30/34/460503034.db2.gz MOYQGRSRMUQEQX-PMACEKPBSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347942 460503037 /nfs/dbraw/zinc/50/30/37/460503037.db2.gz MOYQGRSRMUQEQX-PMACEKPBSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347942 460503041 /nfs/dbraw/zinc/50/30/41/460503041.db2.gz MOYQGRSRMUQEQX-PMACEKPBSA-N 1 3 329.532 3.286 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1F ZINC000623375980 460517267 /nfs/dbraw/zinc/51/72/67/460517267.db2.gz BCHPBYHAYXAUDQ-MRXNPFEDSA-N 1 3 330.451 3.282 10 0 EGAEHO Cn1ccnc1C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435422 460548091 /nfs/dbraw/zinc/54/80/91/460548091.db2.gz DOSLMWMRBDIZGJ-MSOLQXFVSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435422 460548095 /nfs/dbraw/zinc/54/80/95/460548095.db2.gz DOSLMWMRBDIZGJ-MSOLQXFVSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623435422 460548105 /nfs/dbraw/zinc/54/81/05/460548105.db2.gz DOSLMWMRBDIZGJ-MSOLQXFVSA-N 1 3 326.488 3.166 10 0 EGAEHO C[C@@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN(C)C ZINC000623987848 460812136 /nfs/dbraw/zinc/81/21/36/460812136.db2.gz QDMPRJYZLSHTKB-QWRGUYRKSA-N 1 3 337.817 3.472 10 0 EGAEHO C[C@@H](CN[C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+](C)C ZINC000623987848 460812142 /nfs/dbraw/zinc/81/21/42/460812142.db2.gz QDMPRJYZLSHTKB-QWRGUYRKSA-N 1 3 337.817 3.472 10 0 EGAEHO Cc1ccc(SCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000629590535 460818126 /nfs/dbraw/zinc/81/81/26/460818126.db2.gz NLPMFKLXJXFCTB-IBGZPJMESA-N 1 3 348.556 3.486 10 0 EGAEHO NC1(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CCOCC1 ZINC000629653028 460846611 /nfs/dbraw/zinc/84/66/11/460846611.db2.gz FRSMJXYMAVPBEI-UHFFFAOYSA-N 1 3 330.403 3.216 10 0 EGAEHO CCN1CCN(c2cccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)c2)CC1 ZINC000628240560 461058851 /nfs/dbraw/zinc/05/88/51/461058851.db2.gz KBGZVHAHOINDTR-SFHVURJKSA-N 1 3 330.520 3.113 10 0 EGAEHO CCN1CCN(c2cccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000628240560 461058853 /nfs/dbraw/zinc/05/88/53/461058853.db2.gz KBGZVHAHOINDTR-SFHVURJKSA-N 1 3 330.520 3.113 10 0 EGAEHO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251063 461145152 /nfs/dbraw/zinc/14/51/52/461145152.db2.gz XIIBRAWZVIEXHF-DOMZBBRYSA-N 1 3 328.378 3.219 10 0 EGAEHO [NH3+][C@H]1CCO[C@H](C2CCN(CCSc3ccc(F)cc3)CC2)C1 ZINC000662282430 461164561 /nfs/dbraw/zinc/16/45/61/461164561.db2.gz UUCZGFUYQWAQKI-WMZOPIPTSA-N 1 3 338.492 3.136 10 0 EGAEHO CC[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662459474 461251012 /nfs/dbraw/zinc/25/10/12/461251012.db2.gz ZPQVNUHRNPOCTI-OALUTQOASA-N 1 3 343.515 3.060 10 0 EGAEHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288734 461275626 /nfs/dbraw/zinc/27/56/26/461275626.db2.gz QAHLCGCEIIMWHX-FPOVZHCZSA-N 1 3 349.478 3.002 10 0 EGAEHO O=C(C[C@@H]1NCc2ccccc21)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000659288734 461275632 /nfs/dbraw/zinc/27/56/32/461275632.db2.gz QAHLCGCEIIMWHX-FPOVZHCZSA-N 1 3 349.478 3.002 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000655813527 461470489 /nfs/dbraw/zinc/47/04/89/461470489.db2.gz ZGAHOEAHSZWCCS-WOJBJXKFSA-N 1 3 332.488 3.064 10 0 EGAEHO CCN(CC)Cc1ccc(-c2nc(-c3ccc(C[NH3+])cc3)no2)o1 ZINC000647158881 461532341 /nfs/dbraw/zinc/53/23/41/461532341.db2.gz RXYZMZALFOYPDO-UHFFFAOYSA-N 1 3 326.400 3.297 10 0 EGAEHO CCCCCN(CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)Cc1ccccc1 ZINC000653200967 461554469 /nfs/dbraw/zinc/55/44/69/461554469.db2.gz VVLGLVSWTAMKKJ-ICSRJNTNSA-N 1 3 345.531 3.183 10 0 EGAEHO FC(F)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000631105567 461554609 /nfs/dbraw/zinc/55/46/09/461554609.db2.gz OTNAAIHAGBPISV-UHFFFAOYSA-N 1 3 332.398 3.420 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000647257983 461593129 /nfs/dbraw/zinc/59/31/29/461593129.db2.gz HNJGFCIQLBCJOZ-WMZOPIPTSA-N 1 3 333.545 3.202 10 0 EGAEHO COc1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1Br ZINC000631168178 461606805 /nfs/dbraw/zinc/60/68/05/461606805.db2.gz AYRVZSPETCXFNF-KLPPZKSPSA-N 1 3 345.256 3.027 10 0 EGAEHO C[N@H+](CCO[C@H]1CC1(F)F)CCC1CCN(c2ccncc2)CC1 ZINC000660166243 461615807 /nfs/dbraw/zinc/61/58/07/461615807.db2.gz MQNTUDBLMMZBGM-KRWDZBQOSA-N 1 3 339.430 3.044 10 0 EGAEHO C[N@@H+](CCO[C@H]1CC1(F)F)CCC1CCN(c2ccncc2)CC1 ZINC000660166243 461615811 /nfs/dbraw/zinc/61/58/11/461615811.db2.gz MQNTUDBLMMZBGM-KRWDZBQOSA-N 1 3 339.430 3.044 10 0 EGAEHO C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCCC2 ZINC000647292123 461616711 /nfs/dbraw/zinc/61/67/11/461616711.db2.gz QIDAVWFTEGXPQP-MRXNPFEDSA-N 1 3 339.487 3.182 10 0 EGAEHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199756 461643800 /nfs/dbraw/zinc/64/38/00/461643800.db2.gz BZDVBQSRFMOXMG-HUUCEWRRSA-N 1 3 328.378 3.476 10 0 EGAEHO COc1ccc(Br)cc1C1(NCC2CC[NH2+]CC2)CC1 ZINC000647368798 461662273 /nfs/dbraw/zinc/66/22/73/461662273.db2.gz KSUKFCIGJZPPLU-UHFFFAOYSA-N 1 3 339.277 3.036 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786529 461898409 /nfs/dbraw/zinc/89/84/09/461898409.db2.gz UDDPEWIVUIKHEY-INIZCTEOSA-N 1 3 342.512 3.417 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(=O)Nc1ccccc1C ZINC000650719646 461911380 /nfs/dbraw/zinc/91/13/80/461911380.db2.gz XIHMFDWEIISFRS-MRXNPFEDSA-N 1 3 325.456 3.221 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(OCC3CC3)cc2)C1 ZINC000650723481 461913697 /nfs/dbraw/zinc/91/36/97/461913697.db2.gz OXWLDUGRKJIQPR-GIVPXCGWSA-N 1 3 344.499 3.336 10 0 EGAEHO OCC1(NCC2CC2)CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660758649 461956019 /nfs/dbraw/zinc/95/60/19/461956019.db2.gz AGJMEQISXPVIHP-TZIWHRDSSA-N 1 3 342.527 3.397 10 0 EGAEHO c1ccc(-c2ccc(CN3CCCN(c4cc[nH+]cc4)CC3)cn2)nc1 ZINC000639684356 462057046 /nfs/dbraw/zinc/05/70/46/462057046.db2.gz UFSKHMIKFFHCGW-UHFFFAOYSA-N 1 3 345.450 3.251 10 0 EGAEHO Fc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000657535337 462170178 /nfs/dbraw/zinc/17/01/78/462170178.db2.gz KESWPBKHJPSAOQ-UHFFFAOYSA-N 1 3 340.870 3.460 10 0 EGAEHO CC(C)(C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000657595342 462196388 /nfs/dbraw/zinc/19/63/88/462196388.db2.gz HBFLDZJHKDHQJX-NRFANRHFSA-N 1 3 338.495 3.321 10 0 EGAEHO CN(c1ccccc1C[NH2+]C[C@]1(C)CC1(F)F)C1CCN(C)CC1 ZINC000657666602 462222642 /nfs/dbraw/zinc/22/26/42/462222642.db2.gz VBGMUBRURSQCFU-SFHVURJKSA-N 1 3 337.458 3.352 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970550 462353413 /nfs/dbraw/zinc/35/34/13/462353413.db2.gz MYYLCQFACAQVQZ-CUUWFGFTSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970550 462353419 /nfs/dbraw/zinc/35/34/19/462353419.db2.gz MYYLCQFACAQVQZ-CUUWFGFTSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970550 462353423 /nfs/dbraw/zinc/35/34/23/462353423.db2.gz MYYLCQFACAQVQZ-CUUWFGFTSA-N 1 3 340.511 3.444 10 0 EGAEHO CC(C)n1cc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000658068494 462366616 /nfs/dbraw/zinc/36/66/16/462366616.db2.gz WXKVLBUKJITWGH-MRXNPFEDSA-N 1 3 334.508 3.006 10 0 EGAEHO Cc1c([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)cnn1C(C)C ZINC000658069192 462366626 /nfs/dbraw/zinc/36/66/26/462366626.db2.gz CMBFHXYAYAUXND-MRXNPFEDSA-N 1 3 348.535 3.314 10 0 EGAEHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265579 462377436 /nfs/dbraw/zinc/37/74/36/462377436.db2.gz YPWWNTNXPBCQIS-ZBFHGGJFSA-N 1 3 337.305 3.489 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000658097548 462383895 /nfs/dbraw/zinc/38/38/95/462383895.db2.gz UOAIFPBPSAOARD-VDGAXYAQSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000658097548 462383900 /nfs/dbraw/zinc/38/39/00/462383900.db2.gz UOAIFPBPSAOARD-VDGAXYAQSA-N 1 3 338.536 3.061 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137326 462400602 /nfs/dbraw/zinc/40/06/02/462400602.db2.gz KJGJYFINLOMJSF-SFTDATJTSA-N 1 3 328.500 3.312 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCc4sccc43)cc2)C1 ZINC000658136668 462400976 /nfs/dbraw/zinc/40/09/76/462400976.db2.gz DSZOLJGWMMFKSL-HKUYNNGSSA-N 1 3 342.508 3.482 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCc4sccc43)cc2)C1 ZINC000658136668 462400978 /nfs/dbraw/zinc/40/09/78/462400978.db2.gz DSZOLJGWMMFKSL-HKUYNNGSSA-N 1 3 342.508 3.482 10 0 EGAEHO C[C@@H](COCC1CC1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000651984272 462401601 /nfs/dbraw/zinc/40/16/01/462401601.db2.gz YOSGCOUHIMIWRY-ROUUACIJSA-N 1 3 330.516 3.487 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143182 462406878 /nfs/dbraw/zinc/40/68/78/462406878.db2.gz XIOABCVOYZHPQV-XOBRGWDASA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143182 462406886 /nfs/dbraw/zinc/40/68/86/462406886.db2.gz XIOABCVOYZHPQV-XOBRGWDASA-N 1 3 346.421 3.382 10 0 EGAEHO Cc1nc(C)c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658143213 462407584 /nfs/dbraw/zinc/40/75/84/462407584.db2.gz XRUUNNDLIRSCEH-SCLBCKFNSA-N 1 3 345.512 3.177 10 0 EGAEHO Cc1nc(C)c([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658143213 462407593 /nfs/dbraw/zinc/40/75/93/462407593.db2.gz XRUUNNDLIRSCEH-SCLBCKFNSA-N 1 3 345.512 3.177 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[C@]2(O)CCCOC2)CC1 ZINC000652044699 462415648 /nfs/dbraw/zinc/41/56/48/462415648.db2.gz RTCAJLWODDGKNG-HXUWFJFHSA-N 1 3 340.552 3.187 10 0 EGAEHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339163 462480602 /nfs/dbraw/zinc/48/06/02/462480602.db2.gz QTNZHIJCBZBLIG-MJGOQNOKSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CC(N)=O)CCCCC2)CC1 ZINC000658339163 462480607 /nfs/dbraw/zinc/48/06/07/462480607.db2.gz QTNZHIJCBZBLIG-MJGOQNOKSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360280 462489892 /nfs/dbraw/zinc/48/98/92/462489892.db2.gz HSHBVRAEIVAFBV-CSODHUTKSA-N 1 3 342.483 3.400 10 0 EGAEHO C[C@H](O)[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360289 462490068 /nfs/dbraw/zinc/49/00/68/462490068.db2.gz HSHBVRAEIVAFBV-XGHQBKJUSA-N 1 3 342.483 3.400 10 0 EGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cccc(Cl)c2F)CC1 ZINC000179517591 534076511 /nfs/dbraw/zinc/07/65/11/534076511.db2.gz ZCKQDZJXUIKHSJ-ZDUSSCGKSA-N 1 3 328.859 3.004 10 0 EGAEHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(Br)c(F)c2)C1 ZINC000351604322 536463475 /nfs/dbraw/zinc/46/34/75/536463475.db2.gz ULAWSSPDHCVXDR-ZDUSSCGKSA-N 1 3 329.257 3.362 10 0 EGAEHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(Br)c(F)c2)C1 ZINC000351604322 536463478 /nfs/dbraw/zinc/46/34/78/536463478.db2.gz ULAWSSPDHCVXDR-ZDUSSCGKSA-N 1 3 329.257 3.362 10 0 EGAEHO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(N(C)C)CC2)c(C)c1 ZINC000128018094 546775713 /nfs/dbraw/zinc/77/57/13/546775713.db2.gz QNDWMERDNKZRBE-UHFFFAOYSA-N 1 3 331.504 3.357 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166566393 546989967 /nfs/dbraw/zinc/98/99/67/546989967.db2.gz XGMFALINTRIVHL-IXDOHACOSA-N 1 3 349.469 3.146 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166566393 546989969 /nfs/dbraw/zinc/98/99/69/546989969.db2.gz XGMFALINTRIVHL-IXDOHACOSA-N 1 3 349.469 3.146 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339069552 547568648 /nfs/dbraw/zinc/56/86/48/547568648.db2.gz XGMFALINTRIVHL-IKGGRYGDSA-N 1 3 349.469 3.146 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339069552 547568653 /nfs/dbraw/zinc/56/86/53/547568653.db2.gz XGMFALINTRIVHL-IKGGRYGDSA-N 1 3 349.469 3.146 10 0 EGAEHO CC1CC[NH+](CCN2CCN(Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000676086192 549035049 /nfs/dbraw/zinc/03/50/49/549035049.db2.gz UTNPEOLZMREMOD-FQEVSTJZSA-N 1 3 329.532 3.315 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560126 1298281286 /nfs/dbraw/zinc/28/12/86/1298281286.db2.gz XJRGPKFSYUQGHY-VQHPVUNQSA-N 1 3 339.524 3.237 10 0 EGAEHO c1csc(CN2CCC[C@H](C[NH2+][C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850835 1328603344 /nfs/dbraw/zinc/60/33/44/1328603344.db2.gz ALQXCQJTDZXYCA-PBHICJAKSA-N 1 3 330.501 3.350 10 0 EGAEHO C[N@@H+]1CCC[C@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842896 1328718461 /nfs/dbraw/zinc/71/84/61/1328718461.db2.gz FNCVPSDWXNRNEP-DLBZAZTESA-N 1 3 336.520 3.305 10 0 EGAEHO C[N@H+]1CCC[C@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842896 1328718464 /nfs/dbraw/zinc/71/84/64/1328718464.db2.gz FNCVPSDWXNRNEP-DLBZAZTESA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@H]2C[N@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842896 1328718468 /nfs/dbraw/zinc/71/84/68/1328718468.db2.gz FNCVPSDWXNRNEP-DLBZAZTESA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@H]2C[N@@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842896 1328718473 /nfs/dbraw/zinc/71/84/73/1328718473.db2.gz FNCVPSDWXNRNEP-DLBZAZTESA-N 1 3 336.520 3.305 10 0 EGAEHO COC(=O)C1=CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000858471066 1328770447 /nfs/dbraw/zinc/77/04/47/1328770447.db2.gz AVGKEZNSFRUBKD-YSTOQKLRSA-N 1 3 340.467 3.033 10 0 EGAEHO COC(=O)C1=CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000858471066 1328770449 /nfs/dbraw/zinc/77/04/49/1328770449.db2.gz AVGKEZNSFRUBKD-YSTOQKLRSA-N 1 3 340.467 3.033 10 0 EGAEHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930117721 1328789578 /nfs/dbraw/zinc/78/95/78/1328789578.db2.gz WHUACIFZNTWRMO-HOTGVXAUSA-N 1 3 330.394 3.290 10 0 EGAEHO CCCC[N@H+](C[C@H](OC)[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034348 1329034132 /nfs/dbraw/zinc/03/41/32/1329034132.db2.gz ROYAKBUCUNDAAF-AEFFLSMTSA-N 1 3 340.552 3.449 10 0 EGAEHO CCCC[N@@H+](C[C@H](OC)[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034348 1329034134 /nfs/dbraw/zinc/03/41/34/1329034134.db2.gz ROYAKBUCUNDAAF-AEFFLSMTSA-N 1 3 340.552 3.449 10 0 EGAEHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923370749 1322742461 /nfs/dbraw/zinc/74/24/61/1322742461.db2.gz QVQCMZZKVKKWEB-CWRNSKLLSA-N 1 3 342.405 3.146 10 0 EGAEHO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923370749 1322742465 /nfs/dbraw/zinc/74/24/65/1322742465.db2.gz QVQCMZZKVKKWEB-CWRNSKLLSA-N 1 3 342.405 3.146 10 0 EGAEHO c1ccc2c(c1)NC[C@@H]2C[C@H]1COCCN1CCCC1CC[NH2+]CC1 ZINC000923553894 1322776813 /nfs/dbraw/zinc/77/68/13/1322776813.db2.gz WRKUVHCABHWTKF-OALUTQOASA-N 1 3 343.515 3.066 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCN2CCCC[C@H]2C)n(C)n1 ZINC000924571900 1323057693 /nfs/dbraw/zinc/05/76/93/1323057693.db2.gz IYDUBLNFCMMZSZ-HBFSDRIKSA-N 1 3 332.536 3.294 10 0 EGAEHO C[C@H]1CC2(CC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)C2)CO1 ZINC000924938310 1323220999 /nfs/dbraw/zinc/22/09/99/1323220999.db2.gz JRFPQYXZWOLJFT-FNOBOGDDSA-N 1 3 328.500 3.098 10 0 EGAEHO C[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495055 1325176382 /nfs/dbraw/zinc/17/63/82/1325176382.db2.gz XBFYQRFBBPXEOJ-LZQZEXGQSA-N 1 3 347.572 3.253 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1F ZINC000925497179 1325178084 /nfs/dbraw/zinc/17/80/84/1325178084.db2.gz FNFRXGBKOIAHOM-AZUAARDMSA-N 1 3 333.495 3.145 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1F ZINC000925619043 1325233082 /nfs/dbraw/zinc/23/30/82/1325233082.db2.gz KOCJGJOLUCBERZ-RBNVPPIJSA-N 1 3 326.431 3.272 10 0 EGAEHO O[C@H](c1ccccc1)C1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925624216 1325234199 /nfs/dbraw/zinc/23/41/99/1325234199.db2.gz WVRZSGVZXDGWLC-VAMGGRTRSA-N 1 3 328.500 3.258 10 0 EGAEHO Cc1noc(C[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)n1 ZINC000925651704 1325247599 /nfs/dbraw/zinc/24/75/99/1325247599.db2.gz JIDNUEFOJXIXNW-BBWFWOEESA-N 1 3 328.460 3.157 10 0 EGAEHO [NH3+][C@H]1C[C@H](NCC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728969 1325273786 /nfs/dbraw/zinc/27/37/86/1325273786.db2.gz GLIHKEQIMWPCTJ-GJZGRUSLSA-N 1 3 335.289 3.340 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925781373 1325299574 /nfs/dbraw/zinc/29/95/74/1325299574.db2.gz YKBZOIJCBBTJOS-CMPLNLGQSA-N 1 3 333.220 3.345 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(OC(F)(F)F)c1 ZINC000925785707 1325300346 /nfs/dbraw/zinc/30/03/46/1325300346.db2.gz VFNZIWNJWJQRBU-ZYHUDNBSSA-N 1 3 338.320 3.481 10 0 EGAEHO Cc1cc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c(C)o1 ZINC000925807607 1325310319 /nfs/dbraw/zinc/31/03/19/1325310319.db2.gz FXVJRNGXLWRECA-INIZCTEOSA-N 1 3 327.472 3.152 10 0 EGAEHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)c(F)c1 ZINC000925810052 1325311260 /nfs/dbraw/zinc/31/12/60/1325311260.db2.gz UYOWRUSPAFZJOR-HNNXBMFYSA-N 1 3 345.437 3.221 10 0 EGAEHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000925844136 1325325496 /nfs/dbraw/zinc/32/54/96/1325325496.db2.gz WGJJSIBDUBXKBI-LSBZLQRGSA-N 1 3 349.906 3.487 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925881562 1325340390 /nfs/dbraw/zinc/34/03/90/1325340390.db2.gz UHPCQVANBNXYDV-VBKZILBWSA-N 1 3 325.456 3.203 10 0 EGAEHO c1ccc([C@H]2C[C@H](NCCOC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000927076669 1327845327 /nfs/dbraw/zinc/84/53/27/1327845327.db2.gz LOPPBORUGAXPKL-WIYYLYMNSA-N 1 3 344.499 3.140 10 0 EGAEHO c1ccc([C@H]2C[C@H](NCCOC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000927076669 1327845332 /nfs/dbraw/zinc/84/53/32/1327845332.db2.gz LOPPBORUGAXPKL-WIYYLYMNSA-N 1 3 344.499 3.140 10 0 EGAEHO C[C@H]1CN(CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C[C@H](C)O1 ZINC000865470427 1329701996 /nfs/dbraw/zinc/70/19/96/1329701996.db2.gz BBXIXEKBMCSRDP-HOTGVXAUSA-N 1 3 345.462 3.353 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865835468 1329743657 /nfs/dbraw/zinc/74/36/57/1329743657.db2.gz RGUBNTPBQZFXQD-YGTYDBBMSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865835468 1329743659 /nfs/dbraw/zinc/74/36/59/1329743659.db2.gz RGUBNTPBQZFXQD-YGTYDBBMSA-N 1 3 347.300 3.304 10 0 EGAEHO CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001323227738 1387313328 /nfs/dbraw/zinc/31/33/28/1387313328.db2.gz TZSMONDOGUSPTD-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001323227738 1387313327 /nfs/dbraw/zinc/31/33/27/1387313327.db2.gz TZSMONDOGUSPTD-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001323227734 1387313402 /nfs/dbraw/zinc/31/34/02/1387313402.db2.gz TZSMONDOGUSPTD-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001323227734 1387313406 /nfs/dbraw/zinc/31/34/06/1387313406.db2.gz TZSMONDOGUSPTD-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645085 1387416320 /nfs/dbraw/zinc/41/63/20/1387416320.db2.gz XLNGBKOEGRAIAJ-VKCQWTKXSA-N 1 3 344.503 3.012 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645085 1387416321 /nfs/dbraw/zinc/41/63/21/1387416321.db2.gz XLNGBKOEGRAIAJ-VKCQWTKXSA-N 1 3 344.503 3.012 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001324236970 1387564725 /nfs/dbraw/zinc/56/47/25/1387564725.db2.gz RSBMKRBHRPDLMV-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001324864865 1387796795 /nfs/dbraw/zinc/79/67/95/1387796795.db2.gz WEWLBWAUHWZCJK-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO Cc1nccn1CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591510 1368847715 /nfs/dbraw/zinc/84/77/15/1368847715.db2.gz ZHHSWXPHNPGAIF-LEWJYISDSA-N 1 3 338.499 3.036 10 0 EGAEHO Cc1nccn1CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197591510 1368847718 /nfs/dbraw/zinc/84/77/18/1368847718.db2.gz ZHHSWXPHNPGAIF-LEWJYISDSA-N 1 3 338.499 3.036 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCCC2)C1)N(C)C ZINC001326305978 1388149054 /nfs/dbraw/zinc/14/90/54/1388149054.db2.gz WKYSYXJLUPPSEW-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001326585086 1388248899 /nfs/dbraw/zinc/24/88/99/1388248899.db2.gz BPERFPIAGKDVAN-SREVYHEPSA-N 1 3 347.547 3.142 10 0 EGAEHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)CC2)N(C)C ZINC001326586220 1388249521 /nfs/dbraw/zinc/24/95/21/1388249521.db2.gz UQLYDNFRTKZBMC-QGZVFWFLSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265627598 1377155625 /nfs/dbraw/zinc/15/56/25/1377155625.db2.gz FFWWPPISVKQEAP-RRFGBZISSA-N 1 3 349.563 3.293 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCC1 ZINC001268161541 1377489932 /nfs/dbraw/zinc/48/99/32/1377489932.db2.gz ZZQSEDRZMWUONR-RBUKOAKNSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001270830919 1377614958 /nfs/dbraw/zinc/61/49/58/1377614958.db2.gz UUINGSMMHGSHLQ-ICSRJNTNSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC1([NH2+]CCCC(C)C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001327473741 1388528995 /nfs/dbraw/zinc/52/89/95/1388528995.db2.gz BXAWLMPIXZFACZ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001327475645 1388530040 /nfs/dbraw/zinc/53/00/40/1388530040.db2.gz WPNDVMCLWAPMPO-IBGZPJMESA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001272781576 1378081197 /nfs/dbraw/zinc/08/11/97/1378081197.db2.gz IANJTRPLQBVCKR-GOSISDBHSA-N 1 3 345.531 3.244 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCC1 ZINC001273084619 1378086994 /nfs/dbraw/zinc/08/69/94/1378086994.db2.gz VIWDHBLXKOQAEY-WAYWQWQTSA-N 1 3 335.536 3.236 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001273166336 1378090668 /nfs/dbraw/zinc/09/06/68/1378090668.db2.gz OYFYOEYYWLWQLH-KRWDZBQOSA-N 1 3 349.544 3.140 10 0 EGAEHO C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001283186350 1378755722 /nfs/dbraw/zinc/75/57/22/1378755722.db2.gz OAOWAVXQDXCQGE-JKSUJKDBSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248733 1378770901 /nfs/dbraw/zinc/77/09/01/1378770901.db2.gz OLZMKPVOHIFLNT-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001283434389 1378926144 /nfs/dbraw/zinc/92/61/44/1378926144.db2.gz PCOKUGNWXVHMKV-RBUKOAKNSA-N 1 3 331.504 3.106 10 0 EGAEHO CCCCCN1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001327696823 1388586519 /nfs/dbraw/zinc/58/65/19/1388586519.db2.gz XGJRNQOFCHLEIE-FQEVSTJZSA-N 1 3 345.531 3.395 10 0 EGAEHO CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001283677019 1379104587 /nfs/dbraw/zinc/10/45/87/1379104587.db2.gz GZGJWRMCOVNBSS-WMZOPIPTSA-N 1 3 325.541 3.122 10 0 EGAEHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC001328087242 1388667868 /nfs/dbraw/zinc/66/78/68/1388667868.db2.gz XVJNEJKZXABQSU-IRXDYDNUSA-N 1 3 326.488 3.470 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[N@H+](CCSc4ccncc4)C[C@@H]3C2)cc1 ZINC001307734664 1384021829 /nfs/dbraw/zinc/02/18/29/1384021829.db2.gz RDLHFHZEHOFVLW-KDURUIRLSA-N 1 3 339.508 3.238 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[N@@H+](CCSc4ccncc4)C[C@@H]3C2)cc1 ZINC001307734664 1384021834 /nfs/dbraw/zinc/02/18/34/1384021834.db2.gz RDLHFHZEHOFVLW-KDURUIRLSA-N 1 3 339.508 3.238 10 0 EGAEHO CC(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001316610099 1384480175 /nfs/dbraw/zinc/48/01/75/1384480175.db2.gz HCEYRCVSUGTLOG-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001316624834 1384490433 /nfs/dbraw/zinc/49/04/33/1384490433.db2.gz OSXGSQMYLHITJZ-MKXGPGLRSA-N 1 3 337.552 3.027 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001316761751 1384564053 /nfs/dbraw/zinc/56/40/53/1384564053.db2.gz ZEEXQASCCIOUPK-HSALFYBXSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001316761751 1384564059 /nfs/dbraw/zinc/56/40/59/1384564059.db2.gz ZEEXQASCCIOUPK-HSALFYBXSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877689 1384662050 /nfs/dbraw/zinc/66/20/50/1384662050.db2.gz FYMVUDRUMOELAE-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014367 1384778623 /nfs/dbraw/zinc/77/86/23/1384778623.db2.gz ULRODCNWTWYPTN-ZWKOTPCHSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1)[NH+](CC)CC ZINC001317040759 1384813553 /nfs/dbraw/zinc/81/35/53/1384813553.db2.gz GACFFQHRESUXMT-UMYABFQBSA-N 1 3 343.943 3.030 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CCC2=CCCCC2)C1 ZINC001317042659 1384816216 /nfs/dbraw/zinc/81/62/16/1384816216.db2.gz ZLZFRZSPGSOIPA-HXUWFJFHSA-N 1 3 349.563 3.389 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2=CCCCC2)C1 ZINC001317042659 1384816218 /nfs/dbraw/zinc/81/62/18/1384816218.db2.gz ZLZFRZSPGSOIPA-HXUWFJFHSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317183227 1384958745 /nfs/dbraw/zinc/95/87/45/1384958745.db2.gz NIKRRERGGXWDOZ-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205859 1384982107 /nfs/dbraw/zinc/98/21/07/1384982107.db2.gz BJJQDHFWLCEBAO-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317205859 1384982109 /nfs/dbraw/zinc/98/21/09/1384982109.db2.gz BJJQDHFWLCEBAO-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)(C(=O)NC1CCC([NH2+]CCCCCF)CC1)N1CCCC1 ZINC001317218684 1384998878 /nfs/dbraw/zinc/99/88/78/1384998878.db2.gz KQSQXYIPEKNHGC-UHFFFAOYSA-N 1 3 341.515 3.018 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317294813 1385067187 /nfs/dbraw/zinc/06/71/87/1385067187.db2.gz RLAGKNHHBOKIHK-AOCRQIFASA-N 1 3 339.568 3.273 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355776 1385102184 /nfs/dbraw/zinc/10/21/84/1385102184.db2.gz MOABEPHNSXPUOV-DLBZAZTESA-N 1 3 339.568 3.418 10 0 EGAEHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001317411153 1385122306 /nfs/dbraw/zinc/12/23/06/1385122306.db2.gz BSECYTKFPFBUAU-NVXWUHKLSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001318915218 1385880374 /nfs/dbraw/zinc/88/03/74/1385880374.db2.gz ODUWOLHTSWEGQU-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001318982844 1385908705 /nfs/dbraw/zinc/90/87/05/1385908705.db2.gz BOQKKGXIMUQWPW-VPLLLXJESA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001698621580 1406259815 /nfs/dbraw/zinc/25/98/15/1406259815.db2.gz WSZMXARQXMCHLT-OXJNMPFZSA-N 1 3 345.531 3.061 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001698626764 1406269082 /nfs/dbraw/zinc/26/90/82/1406269082.db2.gz OESSFMAKCICOPU-KRWDZBQOSA-N 1 3 349.544 3.140 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001319478225 1386139854 /nfs/dbraw/zinc/13/98/54/1386139854.db2.gz SLHBJAKLBBZMMF-OXQOHEQNSA-N 1 3 345.531 3.231 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1)N(C)C ZINC001698635979 1406281575 /nfs/dbraw/zinc/28/15/75/1406281575.db2.gz UTDOZHMOCYNGFO-SFHVURJKSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001319710101 1386263235 /nfs/dbraw/zinc/26/32/35/1386263235.db2.gz RHQXENHNXGVVOI-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)c1noc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001319767360 1386287395 /nfs/dbraw/zinc/28/73/95/1386287395.db2.gz MIKFQPYQCCHTBT-SJLPKXTDSA-N 1 3 342.487 3.236 10 0 EGAEHO CC(C)c1noc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001319767360 1386287401 /nfs/dbraw/zinc/28/74/01/1386287401.db2.gz MIKFQPYQCCHTBT-SJLPKXTDSA-N 1 3 342.487 3.236 10 0 EGAEHO CCc1ccccc1CN(C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320084246 1386499950 /nfs/dbraw/zinc/49/99/50/1386499950.db2.gz FWZMSOSRDIJJSB-QZTJIDSGSA-N 1 3 345.531 3.012 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001320135010 1386531068 /nfs/dbraw/zinc/53/10/68/1386531068.db2.gz SZNBDQQBZOHXPV-ZWKOTPCHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001320416867 1386604007 /nfs/dbraw/zinc/60/40/07/1386604007.db2.gz XKFBODCHXDWLQH-MJGOQNOKSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001320416865 1386604419 /nfs/dbraw/zinc/60/44/19/1386604419.db2.gz XKFBODCHXDWLQH-IEBWSBKVSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1)N(C)C ZINC001698670954 1406320596 /nfs/dbraw/zinc/32/05/96/1406320596.db2.gz BVYZAOGYNQOVJE-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)cc1 ZINC001321188948 1386835738 /nfs/dbraw/zinc/83/57/38/1386835738.db2.gz KQGGKUPDLNKWSW-HOQHSMRBSA-N 1 3 343.515 3.227 10 0 EGAEHO C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001321514478 1386920507 /nfs/dbraw/zinc/92/05/07/1386920507.db2.gz WICXEHATLVXQQO-QGZVFWFLSA-N 1 3 335.536 3.236 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001321866332 1386999159 /nfs/dbraw/zinc/99/91/59/1386999159.db2.gz LZQUXXAFDUYMKN-PKOBYXMFSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177719 1387089363 /nfs/dbraw/zinc/08/93/63/1387089363.db2.gz VOJTWHYFWSHLPD-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177719 1387089368 /nfs/dbraw/zinc/08/93/68/1387089368.db2.gz VOJTWHYFWSHLPD-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCCCN2CC)c1 ZINC001322307700 1387153059 /nfs/dbraw/zinc/15/30/59/1387153059.db2.gz RQXCRMIIDXJPCX-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCCCN2CC)c1 ZINC001322307700 1387153062 /nfs/dbraw/zinc/15/30/62/1387153062.db2.gz RQXCRMIIDXJPCX-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@H](F)C[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001329243611 1389033744 /nfs/dbraw/zinc/03/37/44/1389033744.db2.gz NLWRCMDCWXTBMQ-GTPINHCMSA-N 1 3 343.531 3.072 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001329358820 1389074380 /nfs/dbraw/zinc/07/43/80/1389074380.db2.gz SDDZSPBFVFJLDH-UHFFFAOYSA-N 1 3 347.547 3.218 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCC(C)CC1 ZINC001329357947 1389074622 /nfs/dbraw/zinc/07/46/22/1389074622.db2.gz GKMGATNCDDZBHV-UHFFFAOYSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001329458803 1389116477 /nfs/dbraw/zinc/11/64/77/1389116477.db2.gz DFQOQVAREXFHHN-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001329458803 1389116479 /nfs/dbraw/zinc/11/64/79/1389116479.db2.gz DFQOQVAREXFHHN-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001698714827 1406357687 /nfs/dbraw/zinc/35/76/87/1406357687.db2.gz NIUBXLGIMCMNRE-ATZDWAIDSA-N 1 3 349.494 3.244 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001329622795 1389187760 /nfs/dbraw/zinc/18/77/60/1389187760.db2.gz GPQVRHRMUMGNAP-KRWDZBQOSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001329622795 1389187762 /nfs/dbraw/zinc/18/77/62/1389187762.db2.gz GPQVRHRMUMGNAP-KRWDZBQOSA-N 1 3 341.499 3.117 10 0 EGAEHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329730597 1389210531 /nfs/dbraw/zinc/21/05/31/1389210531.db2.gz GAFYZLVUBXTXRI-HUUCEWRRSA-N 1 3 327.513 3.094 10 0 EGAEHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001329730597 1389210534 /nfs/dbraw/zinc/21/05/34/1389210534.db2.gz GAFYZLVUBXTXRI-HUUCEWRRSA-N 1 3 327.513 3.094 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1 ZINC001329860640 1389238596 /nfs/dbraw/zinc/23/85/96/1389238596.db2.gz KDOYSKZMOHPRLZ-LQTPYWCBSA-N 1 3 341.927 3.020 10 0 EGAEHO CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001329937263 1389266486 /nfs/dbraw/zinc/26/64/86/1389266486.db2.gz NQEYWBVRQZMPIB-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001329937263 1389266489 /nfs/dbraw/zinc/26/64/89/1389266489.db2.gz NQEYWBVRQZMPIB-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001330650095 1389482908 /nfs/dbraw/zinc/48/29/08/1389482908.db2.gz GAVHWZRVZMWLSD-QGZVKYPTSA-N 1 3 345.531 3.127 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644643 1389843716 /nfs/dbraw/zinc/84/37/16/1389843716.db2.gz PYTJYIITYUROLQ-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001332140726 1390004449 /nfs/dbraw/zinc/00/44/49/1390004449.db2.gz PACJTGILVAWWLU-GUDVDZBRSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001332343535 1390092657 /nfs/dbraw/zinc/09/26/57/1390092657.db2.gz ZBYCTCLFBWYGQR-PXNSSMCTSA-N 1 3 345.531 3.282 10 0 EGAEHO CC[C@H](C(=O)NC1(C2CC[NH+](CCCC(C)C)CC2)CC1)N(C)C ZINC001333180402 1390262276 /nfs/dbraw/zinc/26/22/76/1390262276.db2.gz QSEWRGYXTPERPJ-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001698810373 1406496575 /nfs/dbraw/zinc/49/65/75/1406496575.db2.gz CIHUHUQTWWLKDK-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001479495511 1392256350 /nfs/dbraw/zinc/25/63/50/1392256350.db2.gz PFRDMZSTNBZQIM-IXDOHACOSA-N 1 3 349.494 3.101 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001479980884 1392514073 /nfs/dbraw/zinc/51/40/73/1392514073.db2.gz KLEOIPUSYUWPLG-WLMAVBAVSA-N 1 3 347.547 3.186 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001480233916 1392629759 /nfs/dbraw/zinc/62/97/59/1392629759.db2.gz SFPKCXVCKFCYSY-XSYGEPLQSA-N 1 3 345.531 3.187 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001480233915 1392630052 /nfs/dbraw/zinc/63/00/52/1392630052.db2.gz SFPKCXVCKFCYSY-GNBUJSLZSA-N 1 3 345.531 3.187 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1)N(C)C ZINC001480365363 1392708914 /nfs/dbraw/zinc/70/89/14/1392708914.db2.gz DJQLUTOESGQIDC-UXHICEINSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001480409825 1392746217 /nfs/dbraw/zinc/74/62/17/1392746217.db2.gz UKXIAWHGKAYFOL-BTCHSPJXSA-N 1 3 341.927 3.019 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696314 1392859782 /nfs/dbraw/zinc/85/97/82/1392859782.db2.gz HOFHHMDKGNJOHE-QZTJIDSGSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001480812843 1392950910 /nfs/dbraw/zinc/95/09/10/1392950910.db2.gz DPCXEFRPDFKVFS-OAHLLOKOSA-N 1 3 347.528 3.226 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001481508642 1394355956 /nfs/dbraw/zinc/35/59/56/1394355956.db2.gz KEMDLNNYACCXSL-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001481508642 1394355962 /nfs/dbraw/zinc/35/59/62/1394355962.db2.gz KEMDLNNYACCXSL-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174268 1394458856 /nfs/dbraw/zinc/45/88/56/1394458856.db2.gz XISLJZVNEIYCKU-UYAOXDASSA-N 1 3 347.547 3.047 10 0 EGAEHO CN(C)C1(C(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)CCC1 ZINC001482031177 1394691580 /nfs/dbraw/zinc/69/15/80/1394691580.db2.gz DLBMHALKHRLXLD-UHFFFAOYSA-N 1 3 345.531 3.313 10 0 EGAEHO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962374 1406717305 /nfs/dbraw/zinc/71/73/05/1406717305.db2.gz PRUYPBQNAHFLHH-ROUUACIJSA-N 1 3 337.552 3.026 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCC1 ZINC001482447140 1395006101 /nfs/dbraw/zinc/00/61/01/1395006101.db2.gz ZZQSEDRZMWUONR-OALUTQOASA-N 1 3 335.536 3.022 10 0 EGAEHO CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001482955149 1395098468 /nfs/dbraw/zinc/09/84/68/1395098468.db2.gz GLOWINQTWDJKML-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001483913131 1395141960 /nfs/dbraw/zinc/14/19/60/1395141960.db2.gz FLWBONGAGATAMW-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1)C1CCCC1)N(C)C ZINC001484012782 1395185914 /nfs/dbraw/zinc/18/59/14/1395185914.db2.gz MNSYJRRPTGWGNB-VQTJNVASSA-N 1 3 345.531 3.100 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001484147267 1395283615 /nfs/dbraw/zinc/28/36/15/1395283615.db2.gz SDNDPVLLJMIQSC-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC001484161682 1395295424 /nfs/dbraw/zinc/29/54/24/1395295424.db2.gz SXWUHPUXBQPDDS-TZIWHRDSSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCC2)C1 ZINC001484161682 1395295427 /nfs/dbraw/zinc/29/54/27/1395295427.db2.gz SXWUHPUXBQPDDS-TZIWHRDSSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCC[N@H+](C)Cc1ccccc1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001484557866 1395439646 /nfs/dbraw/zinc/43/96/46/1395439646.db2.gz YEHPOWOUNYBSGD-ROUUACIJSA-N 1 3 345.531 3.408 10 0 EGAEHO CCCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001484557866 1395439651 /nfs/dbraw/zinc/43/96/51/1395439651.db2.gz YEHPOWOUNYBSGD-ROUUACIJSA-N 1 3 345.531 3.408 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001484828497 1395565566 /nfs/dbraw/zinc/56/55/66/1395565566.db2.gz DKAUEYJDNSSBKX-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001484828497 1395565567 /nfs/dbraw/zinc/56/55/67/1395565567.db2.gz DKAUEYJDNSSBKX-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO C[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001485194314 1395698846 /nfs/dbraw/zinc/69/88/46/1395698846.db2.gz OLWMAAXUSSFMIR-CVEARBPZSA-N 1 3 327.557 3.273 10 0 EGAEHO C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001485230098 1395724202 /nfs/dbraw/zinc/72/42/02/1395724202.db2.gz PXBPOKZOUIOGCV-CVEARBPZSA-N 1 3 331.504 3.035 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483443 1395968730 /nfs/dbraw/zinc/96/87/30/1395968730.db2.gz WFZKYOFGHZDLKS-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483443 1395968734 /nfs/dbraw/zinc/96/87/34/1395968734.db2.gz WFZKYOFGHZDLKS-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001485767382 1396144530 /nfs/dbraw/zinc/14/45/30/1396144530.db2.gz YISSUICBSCVKJE-JBVUFVISSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001485767382 1396144535 /nfs/dbraw/zinc/14/45/35/1396144535.db2.gz YISSUICBSCVKJE-JBVUFVISSA-N 1 3 337.552 3.242 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001486222182 1396184361 /nfs/dbraw/zinc/18/43/61/1396184361.db2.gz XNPACCAPJPKYPI-QUCCMNQESA-N 1 3 345.531 3.018 10 0 EGAEHO CC(C)[C@@H](C(=O)NCc1ccc2c(c1)CN(C(C)C)C2)[NH+]1CCCC1 ZINC001502653613 1396214392 /nfs/dbraw/zinc/21/43/92/1396214392.db2.gz GRUMCQFURWVLKF-FQEVSTJZSA-N 1 3 343.515 3.147 10 0 EGAEHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001502714629 1396218947 /nfs/dbraw/zinc/21/89/47/1396218947.db2.gz BREZIMCFRMHKBW-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccccc1C(C)C ZINC001493042381 1396333731 /nfs/dbraw/zinc/33/37/31/1396333731.db2.gz CIZGIMGQRBHYRW-SFHVURJKSA-N 1 3 345.531 3.090 10 0 EGAEHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1C(C)C ZINC001493042381 1396333732 /nfs/dbraw/zinc/33/37/32/1396333732.db2.gz CIZGIMGQRBHYRW-SFHVURJKSA-N 1 3 345.531 3.090 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001497765654 1396835974 /nfs/dbraw/zinc/83/59/74/1396835974.db2.gz SRHBUSDCMVPCAA-YVACAVLKSA-N 1 3 337.895 3.003 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001689056520 1396858020 /nfs/dbraw/zinc/85/80/20/1396858020.db2.gz VFSQIUKAOGKQQJ-ZWKOTPCHSA-N 1 3 339.568 3.371 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1Cc1ccsc1 ZINC001689176895 1396959656 /nfs/dbraw/zinc/95/96/56/1396959656.db2.gz OUVLOXVEELIWAI-FGTMMUONSA-N 1 3 349.544 3.092 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1Cc1ccsc1 ZINC001689176895 1396959659 /nfs/dbraw/zinc/95/96/59/1396959659.db2.gz OUVLOXVEELIWAI-FGTMMUONSA-N 1 3 349.544 3.092 10 0 EGAEHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1CC ZINC001689197855 1396968646 /nfs/dbraw/zinc/96/86/46/1396968646.db2.gz HFVNFYGAYYLLQK-OTWHNJEPSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)[C@H]1CC ZINC001689197855 1396968648 /nfs/dbraw/zinc/96/86/48/1396968648.db2.gz HFVNFYGAYYLLQK-OTWHNJEPSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001689302720 1397026860 /nfs/dbraw/zinc/02/68/60/1397026860.db2.gz VYGQTNNVUXPEFT-QYZOEREBSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001689302720 1397026871 /nfs/dbraw/zinc/02/68/71/1397026871.db2.gz VYGQTNNVUXPEFT-QYZOEREBSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001499243657 1397065031 /nfs/dbraw/zinc/06/50/31/1397065031.db2.gz LLCOKEZNKMERQE-IEBWSBKVSA-N 1 3 343.515 3.169 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001699029067 1406866607 /nfs/dbraw/zinc/86/66/07/1406866607.db2.gz OETUEKUSPOPDLS-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168342 1404367323 /nfs/dbraw/zinc/36/73/23/1404367323.db2.gz COUCKZYQGDIRDI-VQIMIIECSA-N 1 3 349.563 3.029 10 0 EGAEHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001690207358 1404415312 /nfs/dbraw/zinc/41/53/12/1404415312.db2.gz VJBSEAGTDIVJRF-BNLAEDIXSA-N 1 3 347.547 3.282 10 0 EGAEHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001690207358 1404415317 /nfs/dbraw/zinc/41/53/17/1404415317.db2.gz VJBSEAGTDIVJRF-BNLAEDIXSA-N 1 3 347.547 3.282 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690436736 1404559024 /nfs/dbraw/zinc/55/90/24/1404559024.db2.gz PGHJCCZIKDXBTA-RLWBPELLSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499503 1404611807 /nfs/dbraw/zinc/61/18/07/1404611807.db2.gz WGQOVFFGMBPRNY-AEFFLSMTSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001690499503 1404611812 /nfs/dbraw/zinc/61/18/12/1404611812.db2.gz WGQOVFFGMBPRNY-AEFFLSMTSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC/C=C\CC[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001690544595 1404628722 /nfs/dbraw/zinc/62/87/22/1404628722.db2.gz UKRQJMBELBLIOY-WAYWQWQTSA-N 1 3 332.492 3.024 10 0 EGAEHO CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815473 1404750333 /nfs/dbraw/zinc/75/03/33/1404750333.db2.gz UTQZTIYXPTWOJF-GHOSXJJBSA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815473 1404750336 /nfs/dbraw/zinc/75/03/36/1404750336.db2.gz UTQZTIYXPTWOJF-GHOSXJJBSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C(C)C)cc1 ZINC001691040539 1404950810 /nfs/dbraw/zinc/95/08/10/1404950810.db2.gz NRUBWFONVWTWNL-GOSISDBHSA-N 1 3 345.531 3.090 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C(C)C)cc1 ZINC001691040539 1404950811 /nfs/dbraw/zinc/95/08/11/1404950811.db2.gz NRUBWFONVWTWNL-GOSISDBHSA-N 1 3 345.531 3.090 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097224 1405033534 /nfs/dbraw/zinc/03/35/34/1405033534.db2.gz HYCQETWQSROJEZ-UXHICEINSA-N 1 3 345.531 3.196 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001691172615 1405108013 /nfs/dbraw/zinc/10/80/13/1405108013.db2.gz LFTWZFTXEIPBNX-ZHALLVOQSA-N 1 3 349.563 3.172 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392428 1405230302 /nfs/dbraw/zinc/23/03/02/1405230302.db2.gz QIEHUMOWBZAYPZ-LIXSYLKWSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)N2CC[C@@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394661 1405232085 /nfs/dbraw/zinc/23/20/85/1405232085.db2.gz BYOVUFZQMZYONK-RTBURBONSA-N 1 3 345.531 3.239 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001691585950 1405347099 /nfs/dbraw/zinc/34/70/99/1405347099.db2.gz LXHNPJRWHLVRTK-QLLBUPAMSA-N 1 3 335.536 3.090 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001691683115 1405418493 /nfs/dbraw/zinc/41/84/93/1405418493.db2.gz OTBRLPLTPNZDLV-IEBWSBKVSA-N 1 3 339.568 3.226 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773548 1405484915 /nfs/dbraw/zinc/48/49/15/1405484915.db2.gz YNTBLWNNBSZXAP-YLJYHZDGSA-N 1 3 345.531 3.309 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001691798556 1405510375 /nfs/dbraw/zinc/51/03/75/1405510375.db2.gz FWAAFBMPZHYVBY-QUCCMNQESA-N 1 3 345.531 3.401 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001691798556 1405510376 /nfs/dbraw/zinc/51/03/76/1405510376.db2.gz FWAAFBMPZHYVBY-QUCCMNQESA-N 1 3 345.531 3.401 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823227 1405539259 /nfs/dbraw/zinc/53/92/59/1405539259.db2.gz LDUVPFDXNLIWJI-GFOMBABLSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823227 1405539262 /nfs/dbraw/zinc/53/92/62/1405539262.db2.gz LDUVPFDXNLIWJI-GFOMBABLSA-N 1 3 337.552 3.290 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001691941798 1405664564 /nfs/dbraw/zinc/66/45/64/1405664564.db2.gz FAOCHKSEICGQLV-TXPKVOOTSA-N 1 3 349.494 3.103 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001692280100 1405915219 /nfs/dbraw/zinc/91/52/19/1405915219.db2.gz OKHJUPGQHBPHTG-KRWDZBQOSA-N 1 3 348.535 3.448 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001692280100 1405915221 /nfs/dbraw/zinc/91/52/21/1405915221.db2.gz OKHJUPGQHBPHTG-KRWDZBQOSA-N 1 3 348.535 3.448 10 0 EGAEHO CCCC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001732012191 1428227393 /nfs/dbraw/zinc/22/73/93/1428227393.db2.gz KTVKYKRKNWKSCF-IBGZPJMESA-N 1 3 343.531 3.216 10 0 EGAEHO CCCC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001732012191 1428227395 /nfs/dbraw/zinc/22/73/95/1428227395.db2.gz KTVKYKRKNWKSCF-IBGZPJMESA-N 1 3 343.531 3.216 10 0 EGAEHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580473 1406191950 /nfs/dbraw/zinc/19/19/50/1406191950.db2.gz DIMSZZMQEXQELP-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001698580473 1406191955 /nfs/dbraw/zinc/19/19/55/1406191955.db2.gz DIMSZZMQEXQELP-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001698595865 1406220240 /nfs/dbraw/zinc/22/02/40/1406220240.db2.gz HFNHIAMCMJEODM-VQTJNVASSA-N 1 3 345.531 3.106 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036557 1428258183 /nfs/dbraw/zinc/25/81/83/1428258183.db2.gz GRWASPRVFRPXHN-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001732036557 1428258187 /nfs/dbraw/zinc/25/81/87/1428258187.db2.gz GRWASPRVFRPXHN-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001732228736 1428476407 /nfs/dbraw/zinc/47/64/07/1428476407.db2.gz JAOLGSXGGGIMCF-SFHVURJKSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CC2CCC3(CC3)CC2)CCCC1)N(C)C ZINC001732231096 1428477777 /nfs/dbraw/zinc/47/77/77/1428477777.db2.gz MZBVVXJXTSSKKY-GOSISDBHSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001732289469 1428515906 /nfs/dbraw/zinc/51/59/06/1428515906.db2.gz WOJFCBMVJWGOHK-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CCCC1 ZINC001732400154 1428566422 /nfs/dbraw/zinc/56/64/22/1428566422.db2.gz WEWXFWQCRKEAPZ-UHFFFAOYSA-N 1 3 337.552 3.173 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001732424253 1428575702 /nfs/dbraw/zinc/57/57/02/1428575702.db2.gz DJHOYFZFDCTDEU-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001699762947 1413167918 /nfs/dbraw/zinc/16/79/18/1413167918.db2.gz SHDDDFFEHUKONV-OALUTQOASA-N 1 3 345.531 3.287 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001699762946 1413168000 /nfs/dbraw/zinc/16/80/00/1413168000.db2.gz SHDDDFFEHUKONV-MOPGFXCFSA-N 1 3 345.531 3.287 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001699776116 1413185767 /nfs/dbraw/zinc/18/57/67/1413185767.db2.gz YOSDRLSEDRVLRH-UHFFFAOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1)N1CCCCC1 ZINC001699798293 1413208423 /nfs/dbraw/zinc/20/84/23/1413208423.db2.gz FYHPPMKFEXWKQR-VQTJNVASSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001699862415 1413297600 /nfs/dbraw/zinc/29/76/00/1413297600.db2.gz VJLYLLZVNAJEEV-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001699971193 1413409995 /nfs/dbraw/zinc/40/99/95/1413409995.db2.gz XAPYDJDPKOUBIA-ICUWKNINSA-N 1 3 337.552 3.005 10 0 EGAEHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001700194192 1413629758 /nfs/dbraw/zinc/62/97/58/1413629758.db2.gz LOCTWEJQSPHMIO-FQEVSTJZSA-N 1 3 347.547 3.232 10 0 EGAEHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001700194192 1413629761 /nfs/dbraw/zinc/62/97/61/1413629761.db2.gz LOCTWEJQSPHMIO-FQEVSTJZSA-N 1 3 347.547 3.232 10 0 EGAEHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700398044 1413931238 /nfs/dbraw/zinc/93/12/38/1413931238.db2.gz SQFWAXWULDWSKR-ZWKOTPCHSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC1CC2(CCC2)C1 ZINC001700498847 1414145494 /nfs/dbraw/zinc/14/54/94/1414145494.db2.gz GWBBMDQERWAPMH-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1 ZINC001700678911 1414334080 /nfs/dbraw/zinc/33/40/80/1414334080.db2.gz MCHCRCZRSNJGCN-QUCCMNQESA-N 1 3 345.531 3.324 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001700753169 1414423473 /nfs/dbraw/zinc/42/34/73/1414423473.db2.gz SWDHPZNIOYXPOX-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913428 1414566612 /nfs/dbraw/zinc/56/66/12/1414566612.db2.gz UAVCOZIAKXNMAI-MOPGFXCFSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001700923666 1414576297 /nfs/dbraw/zinc/57/62/97/1414576297.db2.gz OXNVFTTWVMMRMD-HMTUNPETSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCCCCC2)CC1)N(C)C ZINC001701059063 1414715314 /nfs/dbraw/zinc/71/53/14/1414715314.db2.gz PZPZDVAIZQZZQC-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CC2CCCCCC2)CC1)N(C)C ZINC001701059063 1414715321 /nfs/dbraw/zinc/71/53/21/1414715321.db2.gz PZPZDVAIZQZZQC-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001707123071 1417210104 /nfs/dbraw/zinc/21/01/04/1417210104.db2.gz CLYUURKLIXSZEB-QGZVFWFLSA-N 1 3 346.519 3.091 10 0 EGAEHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001707378441 1417302174 /nfs/dbraw/zinc/30/21/74/1417302174.db2.gz MGTJQCVKZBVFJZ-QRVBRYPASA-N 1 3 349.563 3.125 10 0 EGAEHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001707378441 1417302177 /nfs/dbraw/zinc/30/21/77/1417302177.db2.gz MGTJQCVKZBVFJZ-QRVBRYPASA-N 1 3 349.563 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCCCCC1 ZINC001707422668 1417329597 /nfs/dbraw/zinc/32/95/97/1417329597.db2.gz NEOGRQSJCWMVQF-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCCCCC1 ZINC001707422668 1417329602 /nfs/dbraw/zinc/32/96/02/1417329602.db2.gz NEOGRQSJCWMVQF-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)ccc1C ZINC001712991324 1417543056 /nfs/dbraw/zinc/54/30/56/1417543056.db2.gz PRLNYMPSRMUTJE-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC001712991324 1417543058 /nfs/dbraw/zinc/54/30/58/1417543058.db2.gz PRLNYMPSRMUTJE-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001733054021 1429195483 /nfs/dbraw/zinc/19/54/83/1429195483.db2.gz LVSFQPCPOHIVDI-SJLPKXTDSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001733054021 1429195485 /nfs/dbraw/zinc/19/54/85/1429195485.db2.gz LVSFQPCPOHIVDI-SJLPKXTDSA-N 1 3 325.541 3.122 10 0 EGAEHO CCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001713056837 1417610552 /nfs/dbraw/zinc/61/05/52/1417610552.db2.gz QDDKQRSXLGHWPB-IBGZPJMESA-N 1 3 337.552 3.364 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220195 1417801078 /nfs/dbraw/zinc/80/10/78/1417801078.db2.gz GVLTYQOPSUXEAB-DVBCCOPCSA-N 1 3 337.552 3.149 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220195 1417801084 /nfs/dbraw/zinc/80/10/84/1417801084.db2.gz GVLTYQOPSUXEAB-DVBCCOPCSA-N 1 3 337.552 3.149 10 0 EGAEHO CC[C@H](C(=O)NC1CCC([NH2+]Cc2cc(C)ccc2C)CC1)N(C)C ZINC001713288331 1417915234 /nfs/dbraw/zinc/91/52/34/1417915234.db2.gz OKJFJXBYLAZLGO-SOAGJPPSSA-N 1 3 345.531 3.161 10 0 EGAEHO CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001713386106 1417996308 /nfs/dbraw/zinc/99/63/08/1417996308.db2.gz QKGINMYGVWOFKM-FQEVSTJZSA-N 1 3 345.531 3.108 10 0 EGAEHO CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001713477743 1418160157 /nfs/dbraw/zinc/16/01/57/1418160157.db2.gz BLROLLRDOGMTEQ-KRWDZBQOSA-N 1 3 333.520 3.259 10 0 EGAEHO CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001713477743 1418160158 /nfs/dbraw/zinc/16/01/58/1418160158.db2.gz BLROLLRDOGMTEQ-KRWDZBQOSA-N 1 3 333.520 3.259 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001713529529 1418277772 /nfs/dbraw/zinc/27/77/72/1418277772.db2.gz MJZFKODWXWUDPS-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001713529529 1418277773 /nfs/dbraw/zinc/27/77/73/1418277773.db2.gz MJZFKODWXWUDPS-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001713684028 1418437085 /nfs/dbraw/zinc/43/70/85/1418437085.db2.gz GSTJXNCJXAEXBZ-QRMWTIMZSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CCN[C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001713703371 1418462375 /nfs/dbraw/zinc/46/23/75/1418462375.db2.gz AXTKLJHHHRQIMH-HXUWFJFHSA-N 1 3 343.515 3.276 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001733144176 1429261230 /nfs/dbraw/zinc/26/12/30/1429261230.db2.gz CZXWYVQNNRJHLI-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742496 1418544863 /nfs/dbraw/zinc/54/48/63/1418544863.db2.gz YZHUJUMBPQCWHY-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742496 1418544865 /nfs/dbraw/zinc/54/48/65/1418544865.db2.gz YZHUJUMBPQCWHY-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897378 1418696048 /nfs/dbraw/zinc/69/60/48/1418696048.db2.gz RWXWXWCIWMIDDT-RRFGBZISSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897378 1418696049 /nfs/dbraw/zinc/69/60/49/1418696049.db2.gz RWXWXWCIWMIDDT-RRFGBZISSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975222 1418755384 /nfs/dbraw/zinc/75/53/84/1418755384.db2.gz JSBUGHOHJQWOEI-DYIICSRESA-N 1 3 347.547 3.140 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975222 1418755386 /nfs/dbraw/zinc/75/53/86/1418755386.db2.gz JSBUGHOHJQWOEI-DYIICSRESA-N 1 3 347.547 3.140 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978382 1418760308 /nfs/dbraw/zinc/76/03/08/1418760308.db2.gz UTKHIYYQTJFDHA-MOPGFXCFSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978382 1418760312 /nfs/dbraw/zinc/76/03/12/1418760312.db2.gz UTKHIYYQTJFDHA-MOPGFXCFSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714003083 1418782407 /nfs/dbraw/zinc/78/24/07/1418782407.db2.gz AGAGZAJXBPOJTH-ROUUACIJSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714003083 1418782408 /nfs/dbraw/zinc/78/24/08/1418782408.db2.gz AGAGZAJXBPOJTH-ROUUACIJSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001714095781 1418889263 /nfs/dbraw/zinc/88/92/63/1418889263.db2.gz NHUWIKFNHPDMAY-DAWZGUTISA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154206 1418962442 /nfs/dbraw/zinc/96/24/42/1418962442.db2.gz RADWBMVFKOGBFZ-ZWKOTPCHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154206 1418962444 /nfs/dbraw/zinc/96/24/44/1418962444.db2.gz RADWBMVFKOGBFZ-ZWKOTPCHSA-N 1 3 339.568 3.227 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001714210305 1419010126 /nfs/dbraw/zinc/01/01/26/1419010126.db2.gz LUVOTNRPTYYBRP-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240389 1419028942 /nfs/dbraw/zinc/02/89/42/1419028942.db2.gz KQQWSHVHFNJIJJ-PXNSSMCTSA-N 1 3 345.531 3.279 10 0 EGAEHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001714471604 1419197086 /nfs/dbraw/zinc/19/70/86/1419197086.db2.gz BIIAGMMMIRKSCG-MRXNPFEDSA-N 1 3 343.515 3.033 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001714554548 1419281718 /nfs/dbraw/zinc/28/17/18/1419281718.db2.gz XNXMCIYLRGBNFO-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1)N1CCCC1 ZINC001714613849 1419374699 /nfs/dbraw/zinc/37/46/99/1419374699.db2.gz RBWZLRXMORHYQB-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCCC1)N1CCCC1 ZINC001714613849 1419374703 /nfs/dbraw/zinc/37/47/03/1419374703.db2.gz RBWZLRXMORHYQB-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001714856666 1419574231 /nfs/dbraw/zinc/57/42/31/1419574231.db2.gz RWRRPJCYSDNRJI-MOPGFXCFSA-N 1 3 335.536 3.138 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001714856666 1419574233 /nfs/dbraw/zinc/57/42/33/1419574233.db2.gz RWRRPJCYSDNRJI-MOPGFXCFSA-N 1 3 335.536 3.138 10 0 EGAEHO CCC[NH2+]C[C@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@H]1C ZINC001715150981 1419895281 /nfs/dbraw/zinc/89/52/81/1419895281.db2.gz YUUJLGUZUHJCPX-VQIMIIECSA-N 1 3 325.541 3.029 10 0 EGAEHO CCC[NH2+]C[C@@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@H]1C ZINC001715150975 1419895436 /nfs/dbraw/zinc/89/54/36/1419895436.db2.gz YUUJLGUZUHJCPX-APWZRJJASA-N 1 3 325.541 3.029 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CC3CCCC3)CC2)C1 ZINC001715498700 1420180350 /nfs/dbraw/zinc/18/03/50/1420180350.db2.gz OUIVMLRLLQESHB-SFHVURJKSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CC3CCCC3)CC2)C1 ZINC001715498700 1420180352 /nfs/dbraw/zinc/18/03/52/1420180352.db2.gz OUIVMLRLLQESHB-SFHVURJKSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001715543174 1420240854 /nfs/dbraw/zinc/24/08/54/1420240854.db2.gz AIUINCULCJWAKR-WOJBJXKFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001715543174 1420240857 /nfs/dbraw/zinc/24/08/57/1420240857.db2.gz AIUINCULCJWAKR-WOJBJXKFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CC[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC001715657335 1420281680 /nfs/dbraw/zinc/28/16/80/1420281680.db2.gz BSNWPESKAFCEJI-ZWKOTPCHSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)c1cc(C)ccc1C)N(C)C ZINC001715757316 1420328773 /nfs/dbraw/zinc/32/87/73/1420328773.db2.gz KIZYEDWXHXHDPA-MJGOQNOKSA-N 1 3 333.520 3.143 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001716048807 1420512546 /nfs/dbraw/zinc/51/25/46/1420512546.db2.gz FQCOAYOKHOIRDJ-PWBPZBFBSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001716048807 1420512548 /nfs/dbraw/zinc/51/25/48/1420512548.db2.gz FQCOAYOKHOIRDJ-PWBPZBFBSA-N 1 3 347.547 3.140 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269553 1429430871 /nfs/dbraw/zinc/43/08/71/1429430871.db2.gz PGHGLCVHBIYRMP-MOPGFXCFSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269553 1429430874 /nfs/dbraw/zinc/43/08/74/1429430874.db2.gz PGHGLCVHBIYRMP-MOPGFXCFSA-N 1 3 337.552 3.221 10 0 EGAEHO Cc1cc(C)c(CN2CC[C@H]2CNC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001716667577 1420822199 /nfs/dbraw/zinc/82/21/99/1420822199.db2.gz CUURRYMPEXMHON-IBGZPJMESA-N 1 3 345.531 3.034 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001716695266 1420848329 /nfs/dbraw/zinc/84/83/29/1420848329.db2.gz CHLXOSAFHYPLOO-ACBHZAAOSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001716704652 1420858960 /nfs/dbraw/zinc/85/89/60/1420858960.db2.gz YOBTVHBUFXJFMN-QUCCMNQESA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001716704652 1420858963 /nfs/dbraw/zinc/85/89/63/1420858963.db2.gz YOBTVHBUFXJFMN-QUCCMNQESA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707508 1420861623 /nfs/dbraw/zinc/86/16/23/1420861623.db2.gz ZOWRTHAKDSWOKY-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707508 1420861625 /nfs/dbraw/zinc/86/16/25/1420861625.db2.gz ZOWRTHAKDSWOKY-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001716768876 1420913755 /nfs/dbraw/zinc/91/37/55/1420913755.db2.gz HMKXEXSDQGLMQS-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001717004188 1421072936 /nfs/dbraw/zinc/07/29/36/1421072936.db2.gz ATAPAORLPFEMNE-WAAHFUDESA-N 1 3 337.552 3.027 10 0 EGAEHO CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041373 1421095654 /nfs/dbraw/zinc/09/56/54/1421095654.db2.gz FVOQSTPSUSTICM-OAOPFVHKSA-N 1 3 347.547 3.138 10 0 EGAEHO CC/C=C/CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041373 1421095655 /nfs/dbraw/zinc/09/56/55/1421095655.db2.gz FVOQSTPSUSTICM-OAOPFVHKSA-N 1 3 347.547 3.138 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111359 1421115016 /nfs/dbraw/zinc/11/50/16/1421115016.db2.gz QWWAORPXTLDQBH-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001717201371 1421169071 /nfs/dbraw/zinc/16/90/71/1421169071.db2.gz ANYPQQRZMSGXJI-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001717201371 1421169074 /nfs/dbraw/zinc/16/90/74/1421169074.db2.gz ANYPQQRZMSGXJI-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001717197060 1421163694 /nfs/dbraw/zinc/16/36/94/1421163694.db2.gz SBAORLRFVNMSOQ-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001717197060 1421163695 /nfs/dbraw/zinc/16/36/95/1421163695.db2.gz SBAORLRFVNMSOQ-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717301420 1421243668 /nfs/dbraw/zinc/24/36/68/1421243668.db2.gz PJVYBORISGSTTJ-HPFMTEOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001717310070 1421252532 /nfs/dbraw/zinc/25/25/32/1421252532.db2.gz ZYZIMZZATDZVDU-NDZBKKTDSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001717310070 1421252533 /nfs/dbraw/zinc/25/25/33/1421252533.db2.gz ZYZIMZZATDZVDU-NDZBKKTDSA-N 1 3 337.552 3.290 10 0 EGAEHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1C ZINC001717376395 1421318267 /nfs/dbraw/zinc/31/82/67/1421318267.db2.gz PZDKSOXIZXMZQY-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1C ZINC001717376395 1421318269 /nfs/dbraw/zinc/31/82/69/1421318269.db2.gz PZDKSOXIZXMZQY-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO CCC(CC)C[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001733294319 1429475439 /nfs/dbraw/zinc/47/54/39/1429475439.db2.gz ZNYGKORVRVHPHI-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001717652673 1421552012 /nfs/dbraw/zinc/55/20/12/1421552012.db2.gz QRBRFPGGFKHFAC-NCXUSEDFSA-N 1 3 337.552 3.027 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001717847286 1421661297 /nfs/dbraw/zinc/66/12/97/1421661297.db2.gz JYHCGALQWCHEOT-IPMKNSEASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001723616427 1424494482 /nfs/dbraw/zinc/49/44/82/1424494482.db2.gz BNFXFUYEXYHAMH-ZNXRZULTSA-N 1 3 346.519 3.280 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720796 1424546002 /nfs/dbraw/zinc/54/60/02/1424546002.db2.gz DYONNEJOGQIZSC-QQUYBBDPSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720796 1424546007 /nfs/dbraw/zinc/54/60/07/1424546007.db2.gz DYONNEJOGQIZSC-QQUYBBDPSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001723720558 1424546609 /nfs/dbraw/zinc/54/66/09/1424546609.db2.gz BOVRCPASDQMYLK-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001723720558 1424546616 /nfs/dbraw/zinc/54/66/16/1424546616.db2.gz BOVRCPASDQMYLK-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001733537740 1429744086 /nfs/dbraw/zinc/74/40/86/1429744086.db2.gz WQJGNIJJUJNQAF-NHQAVIFJSA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)N1CCCCCC1 ZINC001724097428 1424660904 /nfs/dbraw/zinc/66/09/04/1424660904.db2.gz HDCHMEUOAAESGL-FXAWDEMLSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001724325586 1424814049 /nfs/dbraw/zinc/81/40/49/1424814049.db2.gz ZDZQUGAUUHPVCR-ICSRJNTNSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC=C(C)C)C1 ZINC001724325586 1424814054 /nfs/dbraw/zinc/81/40/54/1424814054.db2.gz ZDZQUGAUUHPVCR-ICSRJNTNSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001724325585 1424814864 /nfs/dbraw/zinc/81/48/64/1424814864.db2.gz ZDZQUGAUUHPVCR-AZUAARDMSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC=C(C)C)C1 ZINC001724325585 1424814869 /nfs/dbraw/zinc/81/48/69/1424814869.db2.gz ZDZQUGAUUHPVCR-AZUAARDMSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1C[C@@H](NCc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588767 1426243863 /nfs/dbraw/zinc/24/38/63/1426243863.db2.gz JIYYRFLQQVGNKD-FUHWJXTLSA-N 1 3 349.544 3.093 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001725668048 1426351919 /nfs/dbraw/zinc/35/19/19/1426351919.db2.gz ZOOBOAWPSNNGFH-UYAOXDASSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCN(C)CC(=O)NC1(C2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001725797725 1426482314 /nfs/dbraw/zinc/48/23/14/1426482314.db2.gz QCUHJHZBMXNHKO-UHFFFAOYSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001731488220 1427462651 /nfs/dbraw/zinc/46/26/51/1427462651.db2.gz RKJYXVLKVVZCJR-AKHDSKFASA-N 1 3 337.552 3.168 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)N1CCCC1 ZINC001731501116 1427481274 /nfs/dbraw/zinc/48/12/74/1427481274.db2.gz PUFFAHPGZBJKMY-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)N1CCCC1 ZINC001731501116 1427481275 /nfs/dbraw/zinc/48/12/75/1427481275.db2.gz PUFFAHPGZBJKMY-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731522570 1427511400 /nfs/dbraw/zinc/51/14/00/1427511400.db2.gz DXDWRACPVWYXRC-DVBCCOPCSA-N 1 3 337.552 3.149 10 0 EGAEHO CN(C)C1(C(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001731569149 1427609231 /nfs/dbraw/zinc/60/92/31/1427609231.db2.gz RIXAAFKMLLWQAP-UHFFFAOYSA-N 1 3 347.547 3.378 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001731852068 1428082022 /nfs/dbraw/zinc/08/20/22/1428082022.db2.gz BDRNFBDYLNUMCZ-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001731852068 1428082025 /nfs/dbraw/zinc/08/20/25/1428082025.db2.gz BDRNFBDYLNUMCZ-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001733868316 1437695276 /nfs/dbraw/zinc/69/52/76/1437695276.db2.gz YXHMRFQJXJPMQF-SFHVURJKSA-N 1 3 347.547 3.189 10 0 EGAEHO CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001734098802 1437882808 /nfs/dbraw/zinc/88/28/08/1437882808.db2.gz DRSOCRNQEQEUGY-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001734098802 1437882811 /nfs/dbraw/zinc/88/28/11/1437882811.db2.gz DRSOCRNQEQEUGY-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC001734441365 1438103492 /nfs/dbraw/zinc/10/34/92/1438103492.db2.gz CKMULXSZKNZUMM-YSIASYRMSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001734453663 1438111237 /nfs/dbraw/zinc/11/12/37/1438111237.db2.gz AVQQZINFYBFEGD-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCc1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001734453661 1438111623 /nfs/dbraw/zinc/11/16/23/1438111623.db2.gz AVQQZINFYBFEGD-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001734550998 1438148865 /nfs/dbraw/zinc/14/88/65/1438148865.db2.gz MTCDMCCTLIJUPE-UHFFFAOYSA-N 1 3 345.531 3.006 10 0 EGAEHO c1cn(Cc2ccccc2)nc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000298042680 201353001 /nfs/dbraw/zinc/35/30/01/201353001.db2.gz HKUFKZBOSPTCFL-UHFFFAOYSA-N 1 3 347.466 3.085 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(OCCN(C)C)cc1 ZINC000246835157 299383174 /nfs/dbraw/zinc/38/31/74/299383174.db2.gz BHRBTZORXSKNAB-KCUHQSDYSA-N 1 3 332.488 3.235 10 0 EGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CCSCC1 ZINC000187257285 296118760 /nfs/dbraw/zinc/11/87/60/296118760.db2.gz KFXHIYSBQNUQSV-QGZVFWFLSA-N 1 3 339.593 3.058 10 0 EGAEHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000266000025 248014133 /nfs/dbraw/zinc/01/41/33/248014133.db2.gz OYEQXHXHHGWHHU-PXNSSMCTSA-N 1 3 343.515 3.227 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000353464393 141302722 /nfs/dbraw/zinc/30/27/22/141302722.db2.gz UNOBVKGHIPPCCX-CEXWTWQISA-N 1 3 329.488 3.365 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000119755395 152225770 /nfs/dbraw/zinc/22/57/70/152225770.db2.gz ZDBQHXZLGVMVEX-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000119755395 152225773 /nfs/dbraw/zinc/22/57/73/152225773.db2.gz ZDBQHXZLGVMVEX-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)CC1 ZINC000191521147 153204747 /nfs/dbraw/zinc/20/47/47/153204747.db2.gz QBDLZNGPYKBXGT-OALUTQOASA-N 1 3 333.520 3.469 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)CC1 ZINC000191521147 153204748 /nfs/dbraw/zinc/20/47/48/153204748.db2.gz QBDLZNGPYKBXGT-OALUTQOASA-N 1 3 333.520 3.469 10 0 EGAEHO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000194647097 153350197 /nfs/dbraw/zinc/35/01/97/153350197.db2.gz RZWZGUJELPGGSL-KURKYZTESA-N 1 3 343.515 3.160 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481981 154375523 /nfs/dbraw/zinc/37/55/23/154375523.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 1 3 330.520 3.273 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481981 154375525 /nfs/dbraw/zinc/37/55/25/154375525.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481981 154375528 /nfs/dbraw/zinc/37/55/28/154375528.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481981 154375530 /nfs/dbraw/zinc/37/55/30/154375530.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 1 3 330.520 3.273 10 0 EGAEHO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248417794 163003331 /nfs/dbraw/zinc/00/33/31/163003331.db2.gz RQYOZIFOZRVYHX-GDVKCFTOSA-N 1 3 338.499 3.290 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248827677 163036867 /nfs/dbraw/zinc/03/68/67/163036867.db2.gz HLQOWVXCQAQNJJ-FXAWDEMLSA-N 1 3 326.488 3.343 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248827677 163036869 /nfs/dbraw/zinc/03/68/69/163036869.db2.gz HLQOWVXCQAQNJJ-FXAWDEMLSA-N 1 3 326.488 3.343 10 0 EGAEHO Fc1ccc(-c2n[nH]cc2C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000366891085 168153169 /nfs/dbraw/zinc/15/31/69/168153169.db2.gz SJSNUPOLQNAFQD-UHFFFAOYSA-N 1 3 328.435 3.322 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367585586 168245434 /nfs/dbraw/zinc/24/54/34/168245434.db2.gz DQSQSESIQPPARG-FHWLQOOXSA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367585586 168245436 /nfs/dbraw/zinc/24/54/36/168245436.db2.gz DQSQSESIQPPARG-FHWLQOOXSA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367585586 168245440 /nfs/dbraw/zinc/24/54/40/168245440.db2.gz DQSQSESIQPPARG-FHWLQOOXSA-N 1 3 328.504 3.034 10 0 EGAEHO COC1(C[C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000277015403 267676784 /nfs/dbraw/zinc/67/67/84/267676784.db2.gz CNKHZGYFKJESTD-KRWDZBQOSA-N 1 3 346.515 3.081 10 0 EGAEHO COc1ccccc1NC(=O)C[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000268875946 274161330 /nfs/dbraw/zinc/16/13/30/274161330.db2.gz DTWGKAKYOIHGQA-OAHLLOKOSA-N 1 3 345.487 3.019 10 0 EGAEHO C[C@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425597 274511751 /nfs/dbraw/zinc/51/17/51/274511751.db2.gz OITKHJBRSZBBKR-YJBOKZPZSA-N 1 3 345.512 3.239 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000283973620 275764893 /nfs/dbraw/zinc/76/48/93/275764893.db2.gz GQJZFSHILGMJRR-NRFANRHFSA-N 1 3 340.467 3.500 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342685692 278381933 /nfs/dbraw/zinc/38/19/33/278381933.db2.gz ZDBPMUGHVPBVSA-ROUUACIJSA-N 1 3 343.515 3.162 10 0 EGAEHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000248417689 308002832 /nfs/dbraw/zinc/00/28/32/308002832.db2.gz RNZVRTQSQRGFDR-YSTOQKLRSA-N 1 3 328.500 3.444 10 0 EGAEHO c1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000248887143 308014479 /nfs/dbraw/zinc/01/44/79/308014479.db2.gz MKLPQFAKGWALCW-LDLYASANSA-N 1 3 327.497 3.471 10 0 EGAEHO c1nc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000248887143 308014480 /nfs/dbraw/zinc/01/44/80/308014480.db2.gz MKLPQFAKGWALCW-LDLYASANSA-N 1 3 327.497 3.471 10 0 EGAEHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414762985 309099213 /nfs/dbraw/zinc/09/92/13/309099213.db2.gz WVXTXFTWSWODQM-FBBABVLZSA-N 1 3 344.499 3.015 10 0 EGAEHO Cc1ccc2nccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000302180009 308732296 /nfs/dbraw/zinc/73/22/96/308732296.db2.gz YZLWSBUKYRNQIC-INIZCTEOSA-N 1 3 325.456 3.456 10 0 EGAEHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897207 308763209 /nfs/dbraw/zinc/76/32/09/308763209.db2.gz LYSAQKNVCAZMLX-DLBZAZTESA-N 1 3 339.524 3.098 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414910405 309108769 /nfs/dbraw/zinc/10/87/69/309108769.db2.gz CSBWPWVETUYPRX-DDTOSNHZSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414910405 309108770 /nfs/dbraw/zinc/10/87/70/309108770.db2.gz CSBWPWVETUYPRX-DDTOSNHZSA-N 1 3 329.257 3.379 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000415910197 309147751 /nfs/dbraw/zinc/14/77/51/309147751.db2.gz HNBWDHBDLGDVAA-UHFFFAOYSA-N 1 3 332.492 3.184 10 0 EGAEHO CCc1cccc(F)c1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421374970 309321521 /nfs/dbraw/zinc/32/15/21/309321521.db2.gz OGNMYXKOLKCFOZ-UHFFFAOYSA-N 1 3 347.522 3.380 10 0 EGAEHO CCc1cccc(F)c1CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421374970 309321522 /nfs/dbraw/zinc/32/15/22/309321522.db2.gz OGNMYXKOLKCFOZ-UHFFFAOYSA-N 1 3 347.522 3.380 10 0 EGAEHO CCc1cccc(F)c1CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421374970 309321523 /nfs/dbraw/zinc/32/15/23/309321523.db2.gz OGNMYXKOLKCFOZ-UHFFFAOYSA-N 1 3 347.522 3.380 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777049 309367644 /nfs/dbraw/zinc/36/76/44/309367644.db2.gz DXYPBOPGYOWHGJ-ZIAGYGMSSA-N 1 3 341.455 3.249 10 0 EGAEHO COc1ccc(C)cc1C1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CCOCC1 ZINC000422895721 309374770 /nfs/dbraw/zinc/37/47/70/309374770.db2.gz GKFFYHURCIAVSO-RBUKOAKNSA-N 1 3 346.515 3.301 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCCCC1 ZINC000422935433 309376926 /nfs/dbraw/zinc/37/69/26/309376926.db2.gz AKCPKDFKCIRWPL-ICSRJNTNSA-N 1 3 330.472 3.181 10 0 EGAEHO c1csc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)n1 ZINC000423093693 309385602 /nfs/dbraw/zinc/38/56/02/309385602.db2.gz ABGPZQMYERGUMT-BRWVUGGUSA-N 1 3 334.533 3.012 10 0 EGAEHO COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423109560 309386527 /nfs/dbraw/zinc/38/65/27/309386527.db2.gz HRSHFIIIDIVXDU-KZULUSFZSA-N 1 3 329.419 3.335 10 0 EGAEHO CC[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000423183731 309389582 /nfs/dbraw/zinc/38/95/82/309389582.db2.gz GUCRFRMSGKFDTR-SFHVURJKSA-N 1 3 341.455 3.073 10 0 EGAEHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192366 309389846 /nfs/dbraw/zinc/38/98/46/309389846.db2.gz UQWBZJJZOJZDFV-FRYIKTPZSA-N 1 3 331.479 3.305 10 0 EGAEHO C[C@H](NCC1([NH3+])CCCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000423198161 309390064 /nfs/dbraw/zinc/39/00/64/309390064.db2.gz DLFSEPRBNMWHHQ-KRWDZBQOSA-N 1 3 333.520 3.329 10 0 EGAEHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423208066 309390552 /nfs/dbraw/zinc/39/05/52/309390552.db2.gz YPRKPPLIPLWFII-IBGZPJMESA-N 1 3 341.503 3.359 10 0 EGAEHO Fc1ccc2c(c1Br)CC[C@H]2NCC1=CC[NH2+]CC1 ZINC000423358121 309396869 /nfs/dbraw/zinc/39/68/69/309396869.db2.gz TVBOQOMSUQNPRR-CQSZACIVSA-N 1 3 325.225 3.085 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@]2(CCO)CCOC2)CC1 ZINC000449192240 310043558 /nfs/dbraw/zinc/04/35/58/310043558.db2.gz TXGCLGIFZWIOGI-FQEVSTJZSA-N 1 3 340.552 3.044 10 0 EGAEHO CCOC(=O)[C@H](C)[C@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449242196 310047017 /nfs/dbraw/zinc/04/70/17/310047017.db2.gz WMSOTGZUUCACOC-KURKYZTESA-N 1 3 346.515 3.259 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCn3ccnc3C2)CC1 ZINC000449257545 310048082 /nfs/dbraw/zinc/04/80/82/310048082.db2.gz IZBPVEQUNUIYPS-KRWDZBQOSA-N 1 3 332.536 3.467 10 0 EGAEHO CC(C)N(C)C[C@@H](C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449337934 310054604 /nfs/dbraw/zinc/05/46/04/310054604.db2.gz QUVUAHMLPVHZNC-MOPGFXCFSA-N 1 3 331.548 3.400 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449509179 310067990 /nfs/dbraw/zinc/06/79/90/310067990.db2.gz ITTWYPGQOBLADM-YSHGAJCASA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449509179 310067991 /nfs/dbraw/zinc/06/79/91/310067991.db2.gz ITTWYPGQOBLADM-YSHGAJCASA-N 1 3 336.520 3.351 10 0 EGAEHO Cn1cc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C(C)(C)C)cn1 ZINC000459419308 310551321 /nfs/dbraw/zinc/55/13/21/310551321.db2.gz FCBZFLHPFZRVKI-GOSISDBHSA-N 1 3 327.476 3.161 10 0 EGAEHO COc1cc(C)c(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000581315659 325351419 /nfs/dbraw/zinc/35/14/19/325351419.db2.gz MMZQHNSRWGQNOR-UHFFFAOYSA-N 1 3 340.467 3.290 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623440428 460551297 /nfs/dbraw/zinc/55/12/97/460551297.db2.gz VOIHYSBMAQDRJQ-YZGWKJHDSA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000629522211 460794956 /nfs/dbraw/zinc/79/49/56/460794956.db2.gz XMARUQHPTYZEIZ-GFCCVEGCSA-N 1 3 348.434 3.500 10 0 EGAEHO CC[C@H](C)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000626655420 460616567 /nfs/dbraw/zinc/61/65/67/460616567.db2.gz XJCKBYFHXIKZMS-INIZCTEOSA-N 1 3 334.508 3.157 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C[C@@H](C)O)CC1 ZINC000088734749 454117657 /nfs/dbraw/zinc/11/76/57/454117657.db2.gz DHRZNGIMLUDYPF-GOSISDBHSA-N 1 3 347.547 3.105 10 0 EGAEHO C[C@@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)Cc1ccccc1 ZINC000182066323 455427410 /nfs/dbraw/zinc/42/74/10/455427410.db2.gz KCLTXLQVMPZDQB-HXUWFJFHSA-N 1 3 343.559 3.405 10 0 EGAEHO COc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1CN1CCCC1 ZINC000095427049 454210138 /nfs/dbraw/zinc/21/01/38/454210138.db2.gz LAJBYJOSLIYPJD-VNCLNFNDSA-N 1 3 332.488 3.245 10 0 EGAEHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCO2 ZINC000132976253 454383198 /nfs/dbraw/zinc/38/31/98/454383198.db2.gz VUXKFADSWIIPBD-YLJYHZDGSA-N 1 3 344.499 3.299 10 0 EGAEHO COc1ccccc1/C=C/C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237300298 455170855 /nfs/dbraw/zinc/17/08/55/455170855.db2.gz HCGODQIGMSFPNM-BTDMYGSTSA-N 1 3 332.488 3.187 10 0 EGAEHO COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CCN(C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281468 455312713 /nfs/dbraw/zinc/31/27/13/455312713.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281468 455312716 /nfs/dbraw/zinc/31/27/16/455312716.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281468 455312719 /nfs/dbraw/zinc/31/27/19/455312719.db2.gz BRMVMLLLWSSNNB-YHEJVBIMSA-N 1 3 343.515 3.045 10 0 EGAEHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000246263143 455460479 /nfs/dbraw/zinc/46/04/79/455460479.db2.gz OWAYXHIPBGSYPJ-NHCUHLMSSA-N 1 3 328.500 3.473 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000246263143 455460485 /nfs/dbraw/zinc/46/04/85/455460485.db2.gz OWAYXHIPBGSYPJ-NHCUHLMSSA-N 1 3 328.500 3.473 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000247270531 455581234 /nfs/dbraw/zinc/58/12/34/455581234.db2.gz WFGWFROPLMYTKO-YZGWKJHDSA-N 1 3 348.531 3.147 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000247270531 455581238 /nfs/dbraw/zinc/58/12/38/455581238.db2.gz WFGWFROPLMYTKO-YZGWKJHDSA-N 1 3 348.531 3.147 10 0 EGAEHO COc1ccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000271369228 455613290 /nfs/dbraw/zinc/61/32/90/455613290.db2.gz RAACDOVVMSUYJW-UHFFFAOYSA-N 1 3 340.471 3.224 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000268895069 455722255 /nfs/dbraw/zinc/72/22/55/455722255.db2.gz ARVQBOHEEHUCCW-PBASOCQRSA-N 1 3 329.532 3.359 10 0 EGAEHO CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000252585995 455823003 /nfs/dbraw/zinc/82/30/03/455823003.db2.gz MRKYPWVXNCMYRV-RTWAWAEBSA-N 1 3 348.531 3.149 10 0 EGAEHO CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000252585995 455823007 /nfs/dbraw/zinc/82/30/07/455823007.db2.gz MRKYPWVXNCMYRV-RTWAWAEBSA-N 1 3 348.531 3.149 10 0 EGAEHO c1ccc(CN2CC[C@H](N3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246477 456189342 /nfs/dbraw/zinc/18/93/42/456189342.db2.gz CPQMDDYCWHPJEL-RTWAWAEBSA-N 1 3 327.516 3.069 10 0 EGAEHO CC(C)[NH+](CCCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000347660435 456288250 /nfs/dbraw/zinc/28/82/50/456288250.db2.gz WEPNTFMCZIMEMJ-HDICACEKSA-N 1 3 340.556 3.057 10 0 EGAEHO CCO[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1SC ZINC000298283258 456413594 /nfs/dbraw/zinc/41/35/94/456413594.db2.gz GYFUZBBRPMFKIV-GUDVDZBRSA-N 1 3 334.529 3.281 10 0 EGAEHO CN1CCN(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1(C)C ZINC000282242286 456453741 /nfs/dbraw/zinc/45/37/41/456453741.db2.gz JECRHMNBDUETJO-SFHVURJKSA-N 1 3 335.923 3.407 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000340470086 456479601 /nfs/dbraw/zinc/47/96/01/456479601.db2.gz ZKVBYRWSUIJPJW-FXAWDEMLSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000340470086 456479607 /nfs/dbraw/zinc/47/96/07/456479607.db2.gz ZKVBYRWSUIJPJW-FXAWDEMLSA-N 1 3 341.503 3.078 10 0 EGAEHO COC[C@H](CC1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000657898733 462311353 /nfs/dbraw/zinc/31/13/53/462311353.db2.gz REDRQQYYXACWNR-IBGZPJMESA-N 1 3 338.536 3.205 10 0 EGAEHO COC[C@H](CC1CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657898733 462311359 /nfs/dbraw/zinc/31/13/59/462311359.db2.gz REDRQQYYXACWNR-IBGZPJMESA-N 1 3 338.536 3.205 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000353404314 456678973 /nfs/dbraw/zinc/67/89/73/456678973.db2.gz OHZQUHPSGICXBC-KBMXLJTQSA-N 1 3 336.863 3.074 10 0 EGAEHO Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000301185794 456816711 /nfs/dbraw/zinc/81/67/11/456816711.db2.gz JVIQEVGSPVVCMV-GOSISDBHSA-N 1 3 338.499 3.150 10 0 EGAEHO Cc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000301185794 456816719 /nfs/dbraw/zinc/81/67/19/456816719.db2.gz JVIQEVGSPVVCMV-GOSISDBHSA-N 1 3 338.499 3.150 10 0 EGAEHO COc1ccc(C[C@@H](C)NC2CC([NH+]3CCCCC3)C2)cc1OC ZINC000370120289 457552640 /nfs/dbraw/zinc/55/26/40/457552640.db2.gz ISUNOXOTNHOPIO-FAEJEUNOSA-N 1 3 332.488 3.241 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C[C@@H](C)O1 ZINC000361889985 457933720 /nfs/dbraw/zinc/93/37/20/457933720.db2.gz RZQAUBPIBRHZND-SWBPCFCJSA-N 1 3 338.536 3.061 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000375794886 458067974 /nfs/dbraw/zinc/06/79/74/458067974.db2.gz WELHMYDXUBYXJX-GBESFXJTSA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000375794886 458067978 /nfs/dbraw/zinc/06/79/78/458067978.db2.gz WELHMYDXUBYXJX-GBESFXJTSA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000375794886 458067984 /nfs/dbraw/zinc/06/79/84/458067984.db2.gz WELHMYDXUBYXJX-GBESFXJTSA-N 1 3 328.504 3.034 10 0 EGAEHO C[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000376028322 458169321 /nfs/dbraw/zinc/16/93/21/458169321.db2.gz JCWQHMXONMNKAF-MAKTXDPSSA-N 1 3 327.516 3.256 10 0 EGAEHO COc1ccc(C[C@H]([NH2+][C@@H](C)[C@H](C)N)c2ccc(OC)cc2)cc1 ZINC000423435384 458432538 /nfs/dbraw/zinc/43/25/38/458432538.db2.gz DRRRYGLGBIUGDP-AVYPCKFXSA-N 1 3 328.456 3.313 10 0 EGAEHO CC[C@@H]1CCC[C@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714565 458512885 /nfs/dbraw/zinc/51/28/85/458512885.db2.gz ICHPNJHQCZPVFR-DQKSBWHRSA-N 1 3 333.564 3.446 10 0 EGAEHO CC[C@@H]1CCC[C@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000377714565 458512888 /nfs/dbraw/zinc/51/28/88/458512888.db2.gz ICHPNJHQCZPVFR-DQKSBWHRSA-N 1 3 333.564 3.446 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000431570133 458590650 /nfs/dbraw/zinc/59/06/50/458590650.db2.gz LQQXSFIDHWHSDM-VQTJNVASSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000431570133 458590651 /nfs/dbraw/zinc/59/06/51/458590651.db2.gz LQQXSFIDHWHSDM-VQTJNVASSA-N 1 3 343.515 3.204 10 0 EGAEHO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000431835155 458632345 /nfs/dbraw/zinc/63/23/45/458632345.db2.gz XBQWUAUVWYKUCU-TVPLGVNVSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000531946336 459005469 /nfs/dbraw/zinc/00/54/69/459005469.db2.gz YVPZJIXPVWMNNQ-VGSWGCGISA-N 1 3 337.511 3.455 10 0 EGAEHO C[NH+](C)CCOCCN[C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000581983222 459285713 /nfs/dbraw/zinc/28/57/13/459285713.db2.gz OAHBSAMXQXESKG-SFHVURJKSA-N 1 3 332.488 3.381 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)C1CCCC1 ZINC000482557414 459314107 /nfs/dbraw/zinc/31/41/07/459314107.db2.gz KUFYUQYGMSVEAY-GHTZIAJQSA-N 1 3 329.532 3.361 10 0 EGAEHO FC(F)(F)COCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138993 459623244 /nfs/dbraw/zinc/62/32/44/459623244.db2.gz LHSQNWGBXBRGSB-BJWYYQGGSA-N 1 3 342.405 3.351 10 0 EGAEHO FC(F)(F)COCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138993 459623249 /nfs/dbraw/zinc/62/32/49/459623249.db2.gz LHSQNWGBXBRGSB-BJWYYQGGSA-N 1 3 342.405 3.351 10 0 EGAEHO COc1cccc(N2CCC[C@H]([NH2+][C@H]3C[C@H](N)c4ccccc43)C2)c1 ZINC000584047354 459641027 /nfs/dbraw/zinc/64/10/27/459641027.db2.gz NBXHDBDNHGFFAP-JHVJFLLYSA-N 1 3 337.467 3.398 10 0 EGAEHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000562959123 459680613 /nfs/dbraw/zinc/68/06/13/459680613.db2.gz VCKZDXNMTRYOFE-VUCTXSBTSA-N 1 3 328.847 3.048 10 0 EGAEHO CCOc1cc(CNCC2CC[NH+](C3CC3)CC2)c(F)cc1OC ZINC000527699607 459705854 /nfs/dbraw/zinc/70/58/54/459705854.db2.gz IPYNLOPDKIGYLO-UHFFFAOYSA-N 1 3 336.451 3.197 10 0 EGAEHO CC[NH+]1CCC(CN[C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527857643 459759283 /nfs/dbraw/zinc/75/92/83/459759283.db2.gz DCMIJLLZFBIKTK-INIZCTEOSA-N 1 3 326.488 3.470 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000527987446 459788806 /nfs/dbraw/zinc/78/88/06/459788806.db2.gz NAYNUWILTHTWJN-APWZRJJASA-N 1 3 331.504 3.265 10 0 EGAEHO COc1ccc(CC[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000527987446 459788809 /nfs/dbraw/zinc/78/88/09/459788809.db2.gz NAYNUWILTHTWJN-APWZRJJASA-N 1 3 331.504 3.265 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC2(COC)CC2)CC1 ZINC000574571240 459835570 /nfs/dbraw/zinc/83/55/70/459835570.db2.gz CCHWWOWOVCTBES-UHFFFAOYSA-N 1 3 345.531 3.125 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CC1(C)C ZINC000623386362 460522166 /nfs/dbraw/zinc/52/21/66/460522166.db2.gz SRRUGVPICFFCOX-SJORKVTESA-N 1 3 335.561 3.423 10 0 EGAEHO C[C@H](CCc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCOCC1 ZINC000629387368 460746883 /nfs/dbraw/zinc/74/68/83/460746883.db2.gz FTANQNSQSBEXDT-CYBMUJFWSA-N 1 3 330.394 3.124 10 0 EGAEHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519923 460792229 /nfs/dbraw/zinc/79/22/29/460792229.db2.gz SGMPNFVURUMUPW-DBXWQHBBSA-N 1 3 349.478 3.243 10 0 EGAEHO C[NH2+]CCOCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629529349 460797336 /nfs/dbraw/zinc/79/73/36/460797336.db2.gz AGOGIZKIXNPOEZ-LJQANCHMSA-N 1 3 334.410 3.074 10 0 EGAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624310827 460952822 /nfs/dbraw/zinc/95/28/22/460952822.db2.gz LGPAMNIJBMSNQD-CRSSMBPESA-N 1 3 328.500 3.302 10 0 EGAEHO O[C@@H]1CCN(C2CC[NH+](CCCCc3cccc(Cl)c3)CC2)C1 ZINC000621322220 460987590 /nfs/dbraw/zinc/98/75/90/460987590.db2.gz NWJAYIVWGPIDAI-LJQANCHMSA-N 1 3 336.907 3.194 10 0 EGAEHO CN(c1ccccc1C[NH2+]CC[C@@H]1CC1(F)F)C1CCN(C)CC1 ZINC000621378350 461014166 /nfs/dbraw/zinc/01/41/66/461014166.db2.gz UVVZNDPYKFJAPL-MRXNPFEDSA-N 1 3 337.458 3.352 10 0 EGAEHO Fc1cccc(CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C2CCCC2)c1 ZINC000662258541 461148319 /nfs/dbraw/zinc/14/83/19/461148319.db2.gz JRUWBIPHBIHYGK-IBGZPJMESA-N 1 3 332.463 3.134 10 0 EGAEHO Fc1cccc(CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C2CCCC2)c1 ZINC000662258541 461148323 /nfs/dbraw/zinc/14/83/23/461148323.db2.gz JRUWBIPHBIHYGK-IBGZPJMESA-N 1 3 332.463 3.134 10 0 EGAEHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288733 461276580 /nfs/dbraw/zinc/27/65/80/461276580.db2.gz QAHLCGCEIIMWHX-CTNGQTDRSA-N 1 3 349.478 3.002 10 0 EGAEHO O=C(C[C@@H]1NCc2ccccc21)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000659288733 461276592 /nfs/dbraw/zinc/27/65/92/461276592.db2.gz QAHLCGCEIIMWHX-CTNGQTDRSA-N 1 3 349.478 3.002 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]CCc3cccc(Cl)c3)cc2)C1 ZINC000668489799 461302697 /nfs/dbraw/zinc/30/26/97/461302697.db2.gz MWZLBQUYNIICMU-FQEVSTJZSA-N 1 3 344.886 3.239 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662673564 461343939 /nfs/dbraw/zinc/34/39/39/461343939.db2.gz NHGHODFAZYSGBS-UHFFFAOYSA-N 1 3 345.487 3.020 10 0 EGAEHO CC[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000630862797 461375868 /nfs/dbraw/zinc/37/58/68/461375868.db2.gz MVIXIQKSQHKPRA-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000655825037 461481111 /nfs/dbraw/zinc/48/11/11/461481111.db2.gz UMPYEQPJGHIQBT-AOOOYVTPSA-N 1 3 333.220 3.157 10 0 EGAEHO COc1cncc(C[NH2+]CC2CCN(Cc3cccs3)CC2)c1C ZINC000631055905 461508199 /nfs/dbraw/zinc/50/81/99/461508199.db2.gz ASVWBXMQRWVOSD-UHFFFAOYSA-N 1 3 345.512 3.462 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647282827 461610657 /nfs/dbraw/zinc/61/06/57/461610657.db2.gz WLPKZRMZAONBAW-HXUWFJFHSA-N 1 3 332.536 3.176 10 0 EGAEHO COC[C@H](Cc1ccccc1)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344599 461646678 /nfs/dbraw/zinc/64/66/78/461646678.db2.gz VGNTYPVUSAYZMV-FSSWDIPSSA-N 1 3 338.495 3.179 10 0 EGAEHO COC[C@H](Cc1ccccc1)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344599 461646685 /nfs/dbraw/zinc/64/66/85/461646685.db2.gz VGNTYPVUSAYZMV-FSSWDIPSSA-N 1 3 338.495 3.179 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000643456701 461732701 /nfs/dbraw/zinc/73/27/01/461732701.db2.gz FMJJIPVKOHMTFA-QUCCMNQESA-N 1 3 328.456 3.128 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543537 461756513 /nfs/dbraw/zinc/75/65/13/461756513.db2.gz OZAIZFGRDMLCQK-CVEARBPZSA-N 1 3 342.512 3.417 10 0 EGAEHO CN1CCC(N2CC[C@@H]([NH2+][C@@H](C3CCC3)C3CCCCC3)C2)CC1 ZINC000643883255 461826288 /nfs/dbraw/zinc/82/62/88/461826288.db2.gz GSVMWKVFFRHDLG-TZIWHRDSSA-N 1 3 333.564 3.494 10 0 EGAEHO COC[C@@H](CCC[NH3+])NCc1cccc(Oc2ccccc2F)c1 ZINC000650740149 461928518 /nfs/dbraw/zinc/92/85/18/461928518.db2.gz HMMXZNSZLKHJNU-MRXNPFEDSA-N 1 3 332.419 3.462 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OCCOC)cc1 ZINC000650758146 461939081 /nfs/dbraw/zinc/93/90/81/461939081.db2.gz KCZKEZHTTORZFP-MRXNPFEDSA-N 1 3 328.456 3.282 10 0 EGAEHO Cc1ccc2nccc(NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)c2c1 ZINC000664238111 461992900 /nfs/dbraw/zinc/99/29/00/461992900.db2.gz WFQMDBDQCBUYBO-LJQANCHMSA-N 1 3 347.462 3.144 10 0 EGAEHO Cc1ccc2nccc(NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)c2c1 ZINC000664238111 461992902 /nfs/dbraw/zinc/99/29/02/461992902.db2.gz WFQMDBDQCBUYBO-LJQANCHMSA-N 1 3 347.462 3.144 10 0 EGAEHO CN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000651198354 462132135 /nfs/dbraw/zinc/13/21/35/462132135.db2.gz BXDLNKCDRUIKPL-UWHLTILDSA-N 1 3 327.516 3.113 10 0 EGAEHO CCc1ccc2nccc(N3CCO[C@H](CCC[NH+](C)C)C3)c2c1 ZINC000664659901 462143412 /nfs/dbraw/zinc/14/34/12/462143412.db2.gz XGPLGQBRJJOZMS-QGZVFWFLSA-N 1 3 327.472 3.344 10 0 EGAEHO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657596202 462195942 /nfs/dbraw/zinc/19/59/42/462195942.db2.gz VSFBCGXPCFWPRT-MKRMIXIUSA-N 1 3 336.479 3.446 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccccc3C3CC3)cc2)C1 ZINC000657594621 462196677 /nfs/dbraw/zinc/19/66/77/462196677.db2.gz JDJHGPUOLMHKRU-OAQYLSRUSA-N 1 3 336.479 3.420 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccccc3C3CC3)cc2)C1 ZINC000657594621 462196683 /nfs/dbraw/zinc/19/66/83/462196683.db2.gz JDJHGPUOLMHKRU-OAQYLSRUSA-N 1 3 336.479 3.420 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(C4CC4)c3)cc2)C1 ZINC000657595371 462197070 /nfs/dbraw/zinc/19/70/70/462197070.db2.gz HINUXINKEWCJAD-JOCHJYFZSA-N 1 3 336.479 3.420 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(C4CC4)c3)cc2)C1 ZINC000657595371 462197075 /nfs/dbraw/zinc/19/70/75/462197075.db2.gz HINUXINKEWCJAD-JOCHJYFZSA-N 1 3 336.479 3.420 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000657596493 462197567 /nfs/dbraw/zinc/19/75/67/462197567.db2.gz XATKFMQKTWLRKO-NRFANRHFSA-N 1 3 338.495 3.468 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000657596493 462197572 /nfs/dbraw/zinc/19/75/72/462197572.db2.gz XATKFMQKTWLRKO-NRFANRHFSA-N 1 3 338.495 3.468 10 0 EGAEHO COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000657969718 462332367 /nfs/dbraw/zinc/33/23/67/462332367.db2.gz UESZZDUNHHDOHA-UHOSZYNNSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969718 462332369 /nfs/dbraw/zinc/33/23/69/462332369.db2.gz UESZZDUNHHDOHA-UHOSZYNNSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969718 462332371 /nfs/dbraw/zinc/33/23/71/462332371.db2.gz UESZZDUNHHDOHA-UHOSZYNNSA-N 1 3 338.536 3.061 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000658033732 462352596 /nfs/dbraw/zinc/35/25/96/462352596.db2.gz CKAURHTXPOBIJP-HNNXBMFYSA-N 1 3 340.458 3.283 10 0 EGAEHO c1ccc2c(CCN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232892 462362211 /nfs/dbraw/zinc/36/22/11/462362211.db2.gz XGMSEDFKNYXKDA-RXVVDRJESA-N 1 3 349.434 3.216 10 0 EGAEHO FC1(F)C[C@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168635 462417105 /nfs/dbraw/zinc/41/71/05/462417105.db2.gz IPUUIELSWNNOCW-XMTFNYHQSA-N 1 3 336.426 3.196 10 0 EGAEHO FC1(F)C[C@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658168635 462417109 /nfs/dbraw/zinc/41/71/09/462417109.db2.gz IPUUIELSWNNOCW-XMTFNYHQSA-N 1 3 336.426 3.196 10 0 EGAEHO CCCN1CC[C@H]([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000658284877 462455155 /nfs/dbraw/zinc/45/51/55/462455155.db2.gz HJQGFFFHNVXMDG-RXVVDRJESA-N 1 3 329.532 3.156 10 0 EGAEHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871236 548995154 /nfs/dbraw/zinc/99/51/54/548995154.db2.gz CGNNWRWZXKQJPM-GDBMZVCRSA-N 1 3 333.545 3.056 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CCO)CC(C)(C)C)CC1 ZINC000678241566 549439825 /nfs/dbraw/zinc/43/98/25/549439825.db2.gz YFCDWHRZMMEDHZ-UHFFFAOYSA-N 1 3 347.547 3.059 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CCO)CC(C)(C)C)CC1 ZINC000678241566 549439827 /nfs/dbraw/zinc/43/98/27/549439827.db2.gz YFCDWHRZMMEDHZ-UHFFFAOYSA-N 1 3 347.547 3.059 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000681976529 550056740 /nfs/dbraw/zinc/05/67/40/550056740.db2.gz XMJSASCVDPEZQK-AABGKKOBSA-N 1 3 327.516 3.081 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@](C)(O)C2CCCCC2)cc1 ZINC000682951129 550168138 /nfs/dbraw/zinc/16/81/38/550168138.db2.gz YZPKSFFIOJYKKC-FQEVSTJZSA-N 1 3 334.504 3.048 10 0 EGAEHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897212 574981145 /nfs/dbraw/zinc/98/11/45/574981145.db2.gz LYSAQKNVCAZMLX-IRXDYDNUSA-N 1 3 339.524 3.098 10 0 EGAEHO COCCC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091317637 1292833337 /nfs/dbraw/zinc/83/33/37/1292833337.db2.gz WHSMGCHXZYDBMY-FQEVSTJZSA-N 1 3 332.488 3.237 10 0 EGAEHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000870992462 1296169965 /nfs/dbraw/zinc/16/99/65/1296169965.db2.gz LESQGFNRCGRKTP-OAQYLSRUSA-N 1 3 343.515 3.120 10 0 EGAEHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872032536 1296681868 /nfs/dbraw/zinc/68/18/68/1296681868.db2.gz VXYGVRMECRZNGJ-HKBOAZHASA-N 1 3 330.516 3.346 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000872083799 1296724484 /nfs/dbraw/zinc/72/44/84/1296724484.db2.gz AAYHHRBZLOEVLE-FQEVSTJZSA-N 1 3 343.515 3.375 10 0 EGAEHO CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H](O)C(C)C ZINC000886627322 1303531145 /nfs/dbraw/zinc/53/11/45/1303531145.db2.gz YYWYYLHOBRENFK-SXYSDOLCSA-N 1 3 330.516 3.425 10 0 EGAEHO COC(=O)c1cc(CNCc2cccc(C[NH+](C)C)c2)[nH]c1C(C)C ZINC000894383612 1306369312 /nfs/dbraw/zinc/36/93/12/1306369312.db2.gz GMAPMPZSIRMKPF-UHFFFAOYSA-N 1 3 343.471 3.276 10 0 EGAEHO CN(Cc1ccccc1)C[C@@H](C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000929237201 1328545056 /nfs/dbraw/zinc/54/50/56/1328545056.db2.gz IDYUPNCZTFUXJT-NRFANRHFSA-N 1 3 338.495 3.359 10 0 EGAEHO COC(=O)C1=CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000858471065 1328770306 /nfs/dbraw/zinc/77/03/06/1328770306.db2.gz AVGKEZNSFRUBKD-WTGUMLROSA-N 1 3 340.467 3.033 10 0 EGAEHO COC(=O)C1=CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000858471065 1328770309 /nfs/dbraw/zinc/77/03/09/1328770309.db2.gz AVGKEZNSFRUBKD-WTGUMLROSA-N 1 3 340.467 3.033 10 0 EGAEHO CSCc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000921858262 1322413540 /nfs/dbraw/zinc/41/35/40/1322413540.db2.gz CJWPIMFTGRJMIZ-VQTJNVASSA-N 1 3 348.556 3.407 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925241890 1325092853 /nfs/dbraw/zinc/09/28/53/1325092853.db2.gz TXEOFVCSZLSOGM-XJKSGUPXSA-N 1 3 325.884 3.059 10 0 EGAEHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(OC)n1 ZINC000925439062 1325150217 /nfs/dbraw/zinc/15/02/17/1325150217.db2.gz HSZCADMPRIBLIW-ZACQAIPSSA-N 1 3 335.492 3.020 10 0 EGAEHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925584026 1325221163 /nfs/dbraw/zinc/22/11/63/1325221163.db2.gz OWCVXJZYJBWENB-KMUNFCNLSA-N 1 3 341.268 3.379 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1F ZINC000925619041 1325233408 /nfs/dbraw/zinc/23/34/08/1325233408.db2.gz KOCJGJOLUCBERZ-IUPKNAOTSA-N 1 3 326.431 3.272 10 0 EGAEHO COc1cccc2[nH]cc(CC[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)c21 ZINC000925627169 1325238719 /nfs/dbraw/zinc/23/87/19/1325238719.db2.gz AAAUQKPWMWKZPH-MSOLQXFVSA-N 1 3 341.499 3.477 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC2 ZINC000925658093 1325251295 /nfs/dbraw/zinc/25/12/95/1325251295.db2.gz NCLYNLXJBUJZBO-QYZOEREBSA-N 1 3 330.520 3.079 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC2 ZINC000925658090 1325252174 /nfs/dbraw/zinc/25/21/74/1325252174.db2.gz NCLYNLXJBUJZBO-QRVBRYPASA-N 1 3 330.520 3.079 10 0 EGAEHO COCCC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925775313 1325295929 /nfs/dbraw/zinc/29/59/29/1325295929.db2.gz FNNPWZFGWFHHKU-ZBFHGGJFSA-N 1 3 330.394 3.128 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925779713 1325299491 /nfs/dbraw/zinc/29/94/91/1325299491.db2.gz OUYBIXVLCKPDPP-JQWIXIFHSA-N 1 3 338.320 3.481 10 0 EGAEHO Cc1c([C@@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000925875649 1325338992 /nfs/dbraw/zinc/33/89/92/1325338992.db2.gz KNYDRTOMWWXENT-KYOSRNDESA-N 1 3 333.867 3.007 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cccc2c1OCO2 ZINC000926636173 1327646067 /nfs/dbraw/zinc/64/60/67/1327646067.db2.gz SRVPQJOLIFIBII-SUMDDJOVSA-N 1 3 338.451 3.411 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)ccn1 ZINC000926692695 1327669739 /nfs/dbraw/zinc/66/97/39/1327669739.db2.gz IWDDMSNAQZHKMT-LEWJYISDSA-N 1 3 343.515 3.088 10 0 EGAEHO C[C@@H](NCc1ccc2oc(=O)[nH]c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926831521 1327735729 /nfs/dbraw/zinc/73/57/29/1327735729.db2.gz CMXAWDLWBVVWMT-CYBMUJFWSA-N 1 3 325.412 3.446 10 0 EGAEHO C[NH+](C)C1(C)CCC(NCc2c(F)cncc2Br)CC1 ZINC000865765111 1329736449 /nfs/dbraw/zinc/73/64/49/1329736449.db2.gz VQQDYLFNWPQCLO-UHFFFAOYSA-N 1 3 344.272 3.336 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000866388140 1330105333 /nfs/dbraw/zinc/10/53/33/1330105333.db2.gz BYEGXPDSUVASJN-TZIWHRDSSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000866388140 1330105334 /nfs/dbraw/zinc/10/53/34/1330105334.db2.gz BYEGXPDSUVASJN-TZIWHRDSSA-N 1 3 339.483 3.135 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000866697088 1330141941 /nfs/dbraw/zinc/14/19/41/1330141941.db2.gz FIZNEJXTGZPLQM-YLJYHZDGSA-N 1 3 332.488 3.161 10 0 EGAEHO CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001323227736 1387313530 /nfs/dbraw/zinc/31/35/30/1387313530.db2.gz TZSMONDOGUSPTD-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001323227736 1387313531 /nfs/dbraw/zinc/31/35/31/1387313531.db2.gz TZSMONDOGUSPTD-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001323442452 1387370909 /nfs/dbraw/zinc/37/09/09/1387370909.db2.gz OCXWJDUSHVKXCN-SFHVURJKSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001324556318 1387672042 /nfs/dbraw/zinc/67/20/42/1387672042.db2.gz GRXOYEJRBOBLQC-TZIWHRDSSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001324556318 1387672049 /nfs/dbraw/zinc/67/20/49/1387672049.db2.gz GRXOYEJRBOBLQC-TZIWHRDSSA-N 1 3 349.563 3.223 10 0 EGAEHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001324944824 1387841833 /nfs/dbraw/zinc/84/18/33/1387841833.db2.gz UFCOHVXBXWZCSZ-FQEVSTJZSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001324944824 1387841844 /nfs/dbraw/zinc/84/18/44/1387841844.db2.gz UFCOHVXBXWZCSZ-FQEVSTJZSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN1CCC([N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001191418832 1367499219 /nfs/dbraw/zinc/49/92/19/1367499219.db2.gz ZRJNOJWGGJMGOZ-UHFFFAOYSA-N 1 3 326.387 3.314 10 0 EGAEHO CCCN1CCC([N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001191418832 1367499223 /nfs/dbraw/zinc/49/92/23/1367499223.db2.gz ZRJNOJWGGJMGOZ-UHFFFAOYSA-N 1 3 326.387 3.314 10 0 EGAEHO C[C@@H]1CCc2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)sc2C1 ZINC001118438028 1371181670 /nfs/dbraw/zinc/18/16/70/1371181670.db2.gz DHJSJOPAZYDRMB-ZBFHGGJFSA-N 1 3 333.545 3.480 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001326602709 1388255700 /nfs/dbraw/zinc/25/57/00/1388255700.db2.gz GQXPZSNNKUCFFJ-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@H+](CCC(C)C)C2 ZINC001326675719 1388279712 /nfs/dbraw/zinc/27/97/12/1388279712.db2.gz RJWDOZBMJTWVHN-UHFFFAOYSA-N 1 3 345.531 3.049 10 0 EGAEHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@@H+](CCC(C)C)C2 ZINC001326675719 1388279717 /nfs/dbraw/zinc/27/97/17/1388279717.db2.gz RJWDOZBMJTWVHN-UHFFFAOYSA-N 1 3 345.531 3.049 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146144 1388404646 /nfs/dbraw/zinc/40/46/46/1388404646.db2.gz IPXGPZMYTNUCSJ-TYFAACHXSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146144 1388404649 /nfs/dbraw/zinc/40/46/49/1388404649.db2.gz IPXGPZMYTNUCSJ-TYFAACHXSA-N 1 3 337.552 3.290 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1)N(C)C ZINC001327148920 1388406330 /nfs/dbraw/zinc/40/63/30/1388406330.db2.gz WIYZPIZEDDGAAK-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1)N(C)C ZINC001327148920 1388406334 /nfs/dbraw/zinc/40/63/34/1388406334.db2.gz WIYZPIZEDDGAAK-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266233498 1377240269 /nfs/dbraw/zinc/24/02/69/1377240269.db2.gz LRWPQMUVBHEFBU-MJRGOJFPSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266233498 1377240272 /nfs/dbraw/zinc/24/02/72/1377240272.db2.gz LRWPQMUVBHEFBU-MJRGOJFPSA-N 1 3 335.536 3.188 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCC1 ZINC001268161542 1377489744 /nfs/dbraw/zinc/48/97/44/1377489744.db2.gz ZZQSEDRZMWUONR-RTBURBONSA-N 1 3 335.536 3.022 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCC1CCCCCC1 ZINC001268420338 1377508018 /nfs/dbraw/zinc/50/80/18/1377508018.db2.gz WRDFAFSJIQVVNL-HNNXBMFYSA-N 1 3 334.508 3.106 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001268589944 1377513651 /nfs/dbraw/zinc/51/36/51/1377513651.db2.gz AIHPRZSZIDHURA-DVBCCOPCSA-N 1 3 345.531 3.296 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001269790322 1377571851 /nfs/dbraw/zinc/57/18/51/1377571851.db2.gz FOWWZYZWGDEJIE-QUCCMNQESA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1cc(CNC/C=C/CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413812 1378124381 /nfs/dbraw/zinc/12/43/81/1378124381.db2.gz ORXGEMUXQBUGAZ-FUTAKVPZSA-N 1 3 349.544 3.083 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]C[C@H](C)CC(C)C)CC1)N(C)C ZINC001327488473 1388533234 /nfs/dbraw/zinc/53/32/34/1388533234.db2.gz IVUXTXJJIKFEAD-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001283434386 1378926132 /nfs/dbraw/zinc/92/61/32/1378926132.db2.gz PCOKUGNWXVHMKV-MOPGFXCFSA-N 1 3 331.504 3.106 10 0 EGAEHO CCCCN1Cc2ccc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001327696438 1388586222 /nfs/dbraw/zinc/58/62/22/1388586222.db2.gz SPZFCYXIIDLHTR-CALCHBBNSA-N 1 3 343.515 3.291 10 0 EGAEHO CCCCN1Cc2ccc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001327696438 1388586225 /nfs/dbraw/zinc/58/62/25/1388586225.db2.gz SPZFCYXIIDLHTR-CALCHBBNSA-N 1 3 343.515 3.291 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1)N(C)C ZINC001284699665 1380114723 /nfs/dbraw/zinc/11/47/23/1380114723.db2.gz KIFNZUJPWMXXDP-AEFFLSMTSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC(CC)C[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001328859742 1388889820 /nfs/dbraw/zinc/88/98/20/1388889820.db2.gz XQQMHNKIISHRNN-UHFFFAOYSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001316718102 1384536164 /nfs/dbraw/zinc/53/61/64/1384536164.db2.gz APKQDKNODDINGT-YFNPGVAHSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001316718102 1384536167 /nfs/dbraw/zinc/53/61/67/1384536167.db2.gz APKQDKNODDINGT-YFNPGVAHSA-N 1 3 349.563 3.288 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001316883242 1384667223 /nfs/dbraw/zinc/66/72/23/1384667223.db2.gz XAGTVFJMGPTVCQ-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001317005285 1384766376 /nfs/dbraw/zinc/76/63/76/1384766376.db2.gz GYHHKHNRVXSSPE-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1)[NH+](CC)CC ZINC001317040757 1384813344 /nfs/dbraw/zinc/81/33/44/1384813344.db2.gz GACFFQHRESUXMT-DMFQBTPQSA-N 1 3 343.943 3.030 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCCC3CCC3)C2)C1 ZINC001317042950 1384816655 /nfs/dbraw/zinc/81/66/55/1384816655.db2.gz LNVUGHCUYCRVDM-UYAOXDASSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCCC3CCC3)C2)C1 ZINC001317042950 1384816656 /nfs/dbraw/zinc/81/66/56/1384816656.db2.gz LNVUGHCUYCRVDM-UYAOXDASSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)N(C)C ZINC001317191339 1384965252 /nfs/dbraw/zinc/96/52/52/1384965252.db2.gz DJQLUTOESGQIDC-VQTJNVASSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@H](C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001317217958 1384997986 /nfs/dbraw/zinc/99/79/86/1384997986.db2.gz YQJPOZJTJJHHRI-OFLPRAFFSA-N 1 3 325.541 3.170 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001317268817 1385038364 /nfs/dbraw/zinc/03/83/64/1385038364.db2.gz ACWWNZMOUFAYJE-FXAWDEMLSA-N 1 3 345.531 3.106 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001317268841 1385038443 /nfs/dbraw/zinc/03/84/43/1385038443.db2.gz ACWWNZMOUFAYJE-YLJYHZDGSA-N 1 3 345.531 3.106 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001317272534 1385043105 /nfs/dbraw/zinc/04/31/05/1385043105.db2.gz ULRVIDAOTNIPDA-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001317513253 1385225893 /nfs/dbraw/zinc/22/58/93/1385225893.db2.gz JCXKNCQGYHSWHL-BGEOSOQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001317513253 1385225897 /nfs/dbraw/zinc/22/58/97/1385225897.db2.gz JCXKNCQGYHSWHL-BGEOSOQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccc(C(C)C)cc1 ZINC001317711979 1385413493 /nfs/dbraw/zinc/41/34/93/1385413493.db2.gz UYZDHPAABMBYCS-IBGZPJMESA-N 1 3 345.531 3.451 10 0 EGAEHO CN(CC(=O)N1CCC(C[N@H+](C)CCC(C)(C)C)CC1)C1CCC1 ZINC001317869782 1385551580 /nfs/dbraw/zinc/55/15/80/1385551580.db2.gz HGDXQUKQRUTIOB-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC(C[N@@H+](C)CCC(C)(C)C)CC1)C1CCC1 ZINC001317869782 1385551586 /nfs/dbraw/zinc/55/15/86/1385551586.db2.gz HGDXQUKQRUTIOB-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001318374464 1385658931 /nfs/dbraw/zinc/65/89/31/1385658931.db2.gz SQYJEZHOUSDMAW-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001318374464 1385658935 /nfs/dbraw/zinc/65/89/35/1385658935.db2.gz SQYJEZHOUSDMAW-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1)N(C)C ZINC001318414465 1385680283 /nfs/dbraw/zinc/68/02/83/1385680283.db2.gz TXEKVZTUWUPONP-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCC2)C1)N(C)C ZINC001318414465 1385680288 /nfs/dbraw/zinc/68/02/88/1385680288.db2.gz TXEKVZTUWUPONP-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001319621782 1386216438 /nfs/dbraw/zinc/21/64/38/1386216438.db2.gz ZVMKPMLNQAJDQD-GOSISDBHSA-N 1 3 349.563 3.172 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001319661411 1386240853 /nfs/dbraw/zinc/24/08/53/1386240853.db2.gz BHJRPJHUMRDPHC-GOSISDBHSA-N 1 3 348.535 3.352 10 0 EGAEHO Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cs1 ZINC001319735413 1386274615 /nfs/dbraw/zinc/27/46/15/1386274615.db2.gz FHRRRRHFSQJHJK-ROUUACIJSA-N 1 3 349.544 3.012 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(C)c1 ZINC001321419322 1386900346 /nfs/dbraw/zinc/90/03/46/1386900346.db2.gz OUSFCJPANYAUQZ-CWHLKURSSA-N 1 3 343.515 3.192 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001698689611 1406335082 /nfs/dbraw/zinc/33/50/82/1406335082.db2.gz GGFCQAAAKSXESB-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001322308270 1387153156 /nfs/dbraw/zinc/15/31/56/1387153156.db2.gz VTODMABOWCMTIP-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001322308270 1387153159 /nfs/dbraw/zinc/15/31/59/1387153159.db2.gz VTODMABOWCMTIP-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO COc1ccccc1C(=O)N(C)CCC[NH2+]CC1CC2CCC1C2 ZINC001322804310 1387240177 /nfs/dbraw/zinc/24/01/77/1387240177.db2.gz ALYYAMZTBCIENN-ULQDDVLXSA-N 1 3 330.472 3.183 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)C2CCC([NH2+]CCCF)CC2)c1 ZINC001329256683 1389038164 /nfs/dbraw/zinc/03/81/64/1389038164.db2.gz JXEDJSKFQZCTJI-UHFFFAOYSA-N 1 3 349.494 3.081 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CCCC1 ZINC001329742062 1389215184 /nfs/dbraw/zinc/21/51/84/1389215184.db2.gz LRYPLSXSPMTTHF-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330469301 1389423055 /nfs/dbraw/zinc/42/30/55/1389423055.db2.gz QQEBGGLRRXCRSC-IPMKNSEASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330469301 1389423059 /nfs/dbraw/zinc/42/30/59/1389423059.db2.gz QQEBGGLRRXCRSC-IPMKNSEASA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C2CC3(CC3(F)F)C2)CC1 ZINC001330767442 1389521762 /nfs/dbraw/zinc/52/17/62/1389521762.db2.gz RMIKGPBPYAWQNP-UHFFFAOYSA-N 1 3 349.469 3.496 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001332140724 1390004670 /nfs/dbraw/zinc/00/46/70/1390004670.db2.gz PACJTGILVAWWLU-GBESFXJTSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001488642521 1391693425 /nfs/dbraw/zinc/69/34/25/1391693425.db2.gz UAPAMXVCFCIOMN-GOSISDBHSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001488642521 1391693428 /nfs/dbraw/zinc/69/34/28/1391693428.db2.gz UAPAMXVCFCIOMN-GOSISDBHSA-N 1 3 337.552 3.218 10 0 EGAEHO Cc1ccnc(N)c1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001353581978 1392043658 /nfs/dbraw/zinc/04/36/58/1392043658.db2.gz RBYOICGZFHGIAB-KRWDZBQOSA-N 1 3 330.520 3.449 10 0 EGAEHO Cc1ccnc(N)c1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001353581978 1392043662 /nfs/dbraw/zinc/04/36/62/1392043662.db2.gz RBYOICGZFHGIAB-KRWDZBQOSA-N 1 3 330.520 3.449 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001698845570 1406546188 /nfs/dbraw/zinc/54/61/88/1406546188.db2.gz LEKJTCLWNXWTPL-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC1CC1 ZINC001479592416 1392283665 /nfs/dbraw/zinc/28/36/65/1392283665.db2.gz BVQOFXQFKFINNJ-MISYRCLQSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H]1C)N(C)C ZINC001479724110 1392338919 /nfs/dbraw/zinc/33/89/19/1392338919.db2.gz GBDHNGMLGAXNQE-NEWSRXKRSA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@@H]1C)N(C)C ZINC001479724110 1392338926 /nfs/dbraw/zinc/33/89/26/1392338926.db2.gz GBDHNGMLGAXNQE-NEWSRXKRSA-N 1 3 349.563 3.122 10 0 EGAEHO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272716 1392655917 /nfs/dbraw/zinc/65/59/17/1392655917.db2.gz YLOPOJFYKGNFLS-AZUAARDMSA-N 1 3 345.531 3.306 10 0 EGAEHO CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272716 1392655936 /nfs/dbraw/zinc/65/59/36/1392655936.db2.gz YLOPOJFYKGNFLS-AZUAARDMSA-N 1 3 345.531 3.306 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001480346826 1392698711 /nfs/dbraw/zinc/69/87/11/1392698711.db2.gz JSGDFNWEKXHOKD-ZYHOBAKYSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001480384824 1392729353 /nfs/dbraw/zinc/72/93/53/1392729353.db2.gz ATHAESMGZWEWPV-ICSRJNTNSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001480384824 1392729356 /nfs/dbraw/zinc/72/93/56/1392729356.db2.gz ATHAESMGZWEWPV-ICSRJNTNSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384973 1392729527 /nfs/dbraw/zinc/72/95/27/1392729527.db2.gz YWAZLHLEJHORIG-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384973 1392729529 /nfs/dbraw/zinc/72/95/29/1392729529.db2.gz YWAZLHLEJHORIG-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001698874813 1406598401 /nfs/dbraw/zinc/59/84/01/1406598401.db2.gz WPEVGBLLIPSZPY-LPHOPBHVSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001480812842 1392950492 /nfs/dbraw/zinc/95/04/92/1392950492.db2.gz DPCXEFRPDFKVFS-HNNXBMFYSA-N 1 3 347.528 3.226 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1ccccc1 ZINC001490331854 1393175183 /nfs/dbraw/zinc/17/51/83/1393175183.db2.gz ZCOZPRJAQVIENO-QGZVFWFLSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1ccccc1 ZINC001490331854 1393175186 /nfs/dbraw/zinc/17/51/86/1393175186.db2.gz ZCOZPRJAQVIENO-QGZVFWFLSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001481990490 1394651283 /nfs/dbraw/zinc/65/12/83/1394651283.db2.gz AORGGRINQZGOLA-FQEVSTJZSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001482003237 1394662803 /nfs/dbraw/zinc/66/28/03/1394662803.db2.gz IHFBHAZWNYRNAN-DGCLKSJQSA-N 1 3 326.378 3.151 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CCC(C)(C)C ZINC001482101632 1394747412 /nfs/dbraw/zinc/74/74/12/1394747412.db2.gz OEODOFHZARNYED-INIZCTEOSA-N 1 3 325.541 3.029 10 0 EGAEHO C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482331940 1394901093 /nfs/dbraw/zinc/90/10/93/1394901093.db2.gz WHWASLCPCISFFQ-ADYSOMBNSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170190 1395309173 /nfs/dbraw/zinc/30/91/73/1395309173.db2.gz LINNHLWRRHWEAR-WIYYLYMNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170190 1395309175 /nfs/dbraw/zinc/30/91/75/1395309175.db2.gz LINNHLWRRHWEAR-WIYYLYMNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)N1CCCCCC1 ZINC001484653923 1395463483 /nfs/dbraw/zinc/46/34/83/1395463483.db2.gz VUQUWBDIQKIMGF-KRWDZBQOSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001698997169 1406798017 /nfs/dbraw/zinc/79/80/17/1406798017.db2.gz SRALIPZZBFPVPB-IEBWSBKVSA-N 1 3 345.531 3.096 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001698997169 1406798025 /nfs/dbraw/zinc/79/80/25/1406798025.db2.gz SRALIPZZBFPVPB-IEBWSBKVSA-N 1 3 345.531 3.096 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1 ZINC001485780070 1396150108 /nfs/dbraw/zinc/15/01/08/1396150108.db2.gz RFNZIDMCAGJVSO-PMACEKPBSA-N 1 3 345.531 3.497 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001505412091 1396295178 /nfs/dbraw/zinc/29/51/78/1396295178.db2.gz MSUGCKLYPIJJQM-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001492178093 1396312922 /nfs/dbraw/zinc/31/29/22/1396312922.db2.gz LONZHCJJKCTGAI-LJQANCHMSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001492178093 1396312923 /nfs/dbraw/zinc/31/29/23/1396312923.db2.gz LONZHCJJKCTGAI-LJQANCHMSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001496359889 1396666717 /nfs/dbraw/zinc/66/67/17/1396666717.db2.gz RYYRKZUHQIYGJZ-QZTJIDSGSA-N 1 3 339.568 3.227 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497268867 1396740653 /nfs/dbraw/zinc/74/06/53/1396740653.db2.gz QJRYEPALOVGXEE-KRCKVYFQSA-N 1 3 341.515 3.040 10 0 EGAEHO CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)[C@H](C(C)C)N(C)C ZINC001497406472 1396756631 /nfs/dbraw/zinc/75/66/31/1396756631.db2.gz MOMCEBMQJIJHLN-QUCCMNQESA-N 1 3 347.547 3.389 10 0 EGAEHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CCC2CCCCCC2)CC1 ZINC001497714010 1396796059 /nfs/dbraw/zinc/79/60/59/1396796059.db2.gz LEIZSOIPFLPKDM-SREVYHEPSA-N 1 3 349.563 3.341 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccsc1 ZINC001689176896 1396960014 /nfs/dbraw/zinc/96/00/14/1396960014.db2.gz OUVLOXVEELIWAI-OKZBNKHCSA-N 1 3 349.544 3.092 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1Cc1ccsc1 ZINC001689176896 1396960017 /nfs/dbraw/zinc/96/00/17/1396960017.db2.gz OUVLOXVEELIWAI-OKZBNKHCSA-N 1 3 349.544 3.092 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)c1 ZINC001689272014 1397009511 /nfs/dbraw/zinc/00/95/11/1397009511.db2.gz VLSSGJKXIZSBOS-IBGZPJMESA-N 1 3 349.494 3.082 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001498483472 1397029174 /nfs/dbraw/zinc/02/91/74/1397029174.db2.gz DOAYSBVXCZLTIM-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001699029066 1406866676 /nfs/dbraw/zinc/86/66/76/1406866676.db2.gz OETUEKUSPOPDLS-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC/C=C/CC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001690540660 1404626761 /nfs/dbraw/zinc/62/67/61/1404626761.db2.gz XFSGOJYPPNPCAO-FQDPEITESA-N 1 3 335.536 3.092 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001691061481 1404984969 /nfs/dbraw/zinc/98/49/69/1404984969.db2.gz GTCLSCVOMMMNMA-PWBPZBFBSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001691061481 1404984971 /nfs/dbraw/zinc/98/49/71/1404984971.db2.gz GTCLSCVOMMMNMA-PWBPZBFBSA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001691172612 1405108303 /nfs/dbraw/zinc/10/83/03/1405108303.db2.gz LECDMGOEGTXYES-KZNAEPCWSA-N 1 3 337.552 3.170 10 0 EGAEHO Cc1ccc(C)c([C@H](C)N2CC[C@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394659 1405231944 /nfs/dbraw/zinc/23/19/44/1405231944.db2.gz BYOVUFZQMZYONK-OALUTQOASA-N 1 3 345.531 3.239 10 0 EGAEHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001691595235 1405350477 /nfs/dbraw/zinc/35/04/77/1405350477.db2.gz KZBPIOYFFCRBPC-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001691633909 1405370984 /nfs/dbraw/zinc/37/09/84/1405370984.db2.gz LLHYWSLQBNXDPI-IPMKNSEASA-N 1 3 335.536 3.090 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001691666592 1405399923 /nfs/dbraw/zinc/39/99/23/1405399923.db2.gz ADMMVEDFVYAZMU-ZERCDLRSSA-N 1 3 337.552 3.146 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001691680994 1405415994 /nfs/dbraw/zinc/41/59/94/1405415994.db2.gz OUNCMIVFLCBWCZ-FXAWDEMLSA-N 1 3 345.531 3.282 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001691692459 1405427154 /nfs/dbraw/zinc/42/71/54/1405427154.db2.gz PGHRHFRDMKYPOE-ZWKOTPCHSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001691884870 1405607591 /nfs/dbraw/zinc/60/75/91/1405607591.db2.gz YFAMSPYHJROXPQ-QRVBRYPASA-N 1 3 337.552 3.265 10 0 EGAEHO CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001692012655 1405731651 /nfs/dbraw/zinc/73/16/51/1405731651.db2.gz IEMALARPSNZEPP-YLJYHZDGSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001692236605 1405862704 /nfs/dbraw/zinc/86/27/04/1405862704.db2.gz HVXZMYUSUVGBBK-QYZOEREBSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001692236605 1405862715 /nfs/dbraw/zinc/86/27/15/1405862715.db2.gz HVXZMYUSUVGBBK-QYZOEREBSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCCCF)CC(C)(C)C1 ZINC001692279762 1405913417 /nfs/dbraw/zinc/91/34/17/1405913417.db2.gz JVKVVARYUSTDQX-KRWDZBQOSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCCCF)CC(C)(C)C1 ZINC001692279762 1405913422 /nfs/dbraw/zinc/91/34/22/1405913422.db2.gz JVKVVARYUSTDQX-KRWDZBQOSA-N 1 3 343.531 3.073 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001692330034 1405948661 /nfs/dbraw/zinc/94/86/61/1405948661.db2.gz SRNOGFNUFTXLTE-DXPXIUTNSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001692334615 1405954462 /nfs/dbraw/zinc/95/44/62/1405954462.db2.gz XCHNTWMJBCSHKX-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](CCCCCF)C2)c1 ZINC001732176078 1428422141 /nfs/dbraw/zinc/42/21/41/1428422141.db2.gz PRQMZZMKROOTBR-IBGZPJMESA-N 1 3 349.494 3.034 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](CCCCCF)C2)c1 ZINC001732176078 1428422142 /nfs/dbraw/zinc/42/21/42/1428422142.db2.gz PRQMZZMKROOTBR-IBGZPJMESA-N 1 3 349.494 3.034 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187887 1428438821 /nfs/dbraw/zinc/43/88/21/1428438821.db2.gz VSUXLWCFBMAPDB-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001732187887 1428438823 /nfs/dbraw/zinc/43/88/23/1428438823.db2.gz VSUXLWCFBMAPDB-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001732228796 1428476413 /nfs/dbraw/zinc/47/64/13/1428476413.db2.gz LITJBPCRINOMOS-IBGZPJMESA-N 1 3 347.547 3.378 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732400393 1428566407 /nfs/dbraw/zinc/56/64/07/1428566407.db2.gz RCYGEPLKSLKODY-HDICACEKSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001699314427 1412633687 /nfs/dbraw/zinc/63/36/87/1412633687.db2.gz NMCBARPFBAPCGC-WHXUGTBJSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001699464576 1412826759 /nfs/dbraw/zinc/82/67/59/1412826759.db2.gz SIZBVZYNIGMCFY-ICSRJNTNSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001699464576 1412826760 /nfs/dbraw/zinc/82/67/60/1412826760.db2.gz SIZBVZYNIGMCFY-ICSRJNTNSA-N 1 3 345.531 3.194 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507815 1412896129 /nfs/dbraw/zinc/89/61/29/1412896129.db2.gz JMIXCGDCKODEBM-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001699741979 1413152606 /nfs/dbraw/zinc/15/26/06/1413152606.db2.gz DOPMTYNQZCHAAT-LPHOPBHVSA-N 1 3 331.504 3.131 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001699799495 1413210098 /nfs/dbraw/zinc/21/00/98/1413210098.db2.gz ORAKRKHGNMISTA-LJQANCHMSA-N 1 3 344.503 3.026 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001699862392 1413296979 /nfs/dbraw/zinc/29/69/79/1413296979.db2.gz TUQWVNVASUFNOB-GHOSXJJBSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001699862396 1413297060 /nfs/dbraw/zinc/29/70/60/1413297060.db2.gz TUQWVNVASUFNOB-OVKVCFKUSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018398 1413464710 /nfs/dbraw/zinc/46/47/10/1413464710.db2.gz YLKRNDVGBNOXLQ-IAGOWNOFSA-N 1 3 346.519 3.189 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018398 1413464712 /nfs/dbraw/zinc/46/47/12/1413464712.db2.gz YLKRNDVGBNOXLQ-IAGOWNOFSA-N 1 3 346.519 3.189 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077659 1413491706 /nfs/dbraw/zinc/49/17/06/1413491706.db2.gz JVHSPCSYBCGTTG-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001700100627 1413518200 /nfs/dbraw/zinc/51/82/00/1413518200.db2.gz WRDBNIJAYWBVRE-QZTJIDSGSA-N 1 3 343.515 3.261 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700482610 1414122595 /nfs/dbraw/zinc/12/25/95/1414122595.db2.gz BIVIIOZYIUHEAP-MJGOQNOKSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001700482610 1414122600 /nfs/dbraw/zinc/12/26/00/1414122600.db2.gz BIVIIOZYIUHEAP-MJGOQNOKSA-N 1 3 345.531 3.088 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001700677738 1414332091 /nfs/dbraw/zinc/33/20/91/1414332091.db2.gz GTPGDKFHCRSYOL-QZTJIDSGSA-N 1 3 345.531 3.415 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689321 1414342204 /nfs/dbraw/zinc/34/22/04/1414342204.db2.gz KNFLPQSPYNPAIX-AZUAARDMSA-N 1 3 345.531 3.244 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001732728659 1428931942 /nfs/dbraw/zinc/93/19/42/1428931942.db2.gz KMLAPKVOIVYZFX-ZWKOTPCHSA-N 1 3 345.531 3.136 10 0 EGAEHO CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732797672 1428977700 /nfs/dbraw/zinc/97/77/00/1428977700.db2.gz MWCRPWJXSRJJAB-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001707407212 1417319722 /nfs/dbraw/zinc/31/97/22/1417319722.db2.gz GUSGERLUYMOEBA-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C ZINC001707407212 1417319724 /nfs/dbraw/zinc/31/97/24/1417319724.db2.gz GUSGERLUYMOEBA-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1F ZINC001707436363 1417341161 /nfs/dbraw/zinc/34/11/61/1417341161.db2.gz OVEHUZGDDSOBTC-QFBILLFUSA-N 1 3 349.494 3.025 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001713220523 1417802043 /nfs/dbraw/zinc/80/20/43/1417802043.db2.gz MXQPTTZNLGIGAG-MOPGFXCFSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001713220523 1417802049 /nfs/dbraw/zinc/80/20/49/1417802049.db2.gz MXQPTTZNLGIGAG-MOPGFXCFSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381386 1417992171 /nfs/dbraw/zinc/99/21/71/1417992171.db2.gz IXKFHOOJSXCRQC-RTBURBONSA-N 1 3 349.494 3.013 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713677086 1418429288 /nfs/dbraw/zinc/42/92/88/1418429288.db2.gz KOBFCGJSUPQFMA-TUYSUELWSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC(CC)C[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001714152730 1418959894 /nfs/dbraw/zinc/95/98/94/1418959894.db2.gz ZNFUQKPLRXCOLL-IRXDYDNUSA-N 1 3 337.552 3.314 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](CC[NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001714211366 1419010550 /nfs/dbraw/zinc/01/05/50/1419010550.db2.gz TYTUOIHGTGJMNX-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268124 1419049195 /nfs/dbraw/zinc/04/91/95/1419049195.db2.gz PURJYXHUKVVTBV-QAPCUYQASA-N 1 3 349.544 3.140 10 0 EGAEHO C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268124 1419049198 /nfs/dbraw/zinc/04/91/98/1419049198.db2.gz PURJYXHUKVVTBV-QAPCUYQASA-N 1 3 349.544 3.140 10 0 EGAEHO C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268122 1419049487 /nfs/dbraw/zinc/04/94/87/1419049487.db2.gz PURJYXHUKVVTBV-CRAIPNDOSA-N 1 3 349.544 3.140 10 0 EGAEHO C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268122 1419049490 /nfs/dbraw/zinc/04/94/90/1419049490.db2.gz PURJYXHUKVVTBV-CRAIPNDOSA-N 1 3 349.544 3.140 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001714322107 1419100608 /nfs/dbraw/zinc/10/06/08/1419100608.db2.gz OADVBJPAORADQC-FQEVSTJZSA-N 1 3 345.531 3.455 10 0 EGAEHO CC(C)N(C/C=C/Cl)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714827985 1419538452 /nfs/dbraw/zinc/53/84/52/1419538452.db2.gz AJSVAJUVLGHQGK-WEVVVXLNSA-N 1 3 343.943 3.076 10 0 EGAEHO CC(C)=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838327 1419550724 /nfs/dbraw/zinc/55/07/24/1419550724.db2.gz ZKNFHBLZAGKBSA-PMACEKPBSA-N 1 3 343.515 3.273 10 0 EGAEHO CC(C)=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714838327 1419550727 /nfs/dbraw/zinc/55/07/27/1419550727.db2.gz ZKNFHBLZAGKBSA-PMACEKPBSA-N 1 3 343.515 3.273 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCCC1 ZINC001714973917 1419708727 /nfs/dbraw/zinc/70/87/27/1419708727.db2.gz AYZOWWQAMPUUGQ-LJQANCHMSA-N 1 3 349.563 3.482 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]CC2CCC(C)CC2)CCCC1 ZINC001715102293 1419843568 /nfs/dbraw/zinc/84/35/68/1419843568.db2.gz ILAIWDHAYRACTK-UHFFFAOYSA-N 1 3 337.552 3.173 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001715238553 1419968827 /nfs/dbraw/zinc/96/88/27/1419968827.db2.gz ZWROPAAQMGTYTM-SGSXCFNPSA-N 1 3 349.563 3.435 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001715535641 1420230163 /nfs/dbraw/zinc/23/01/63/1420230163.db2.gz DIDBNDLQOFMEPN-VQTJNVASSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)cc1C ZINC001715954214 1420420210 /nfs/dbraw/zinc/42/02/10/1420420210.db2.gz ROCUAJWHDJAGET-QUCCMNQESA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001716022709 1420477862 /nfs/dbraw/zinc/47/78/62/1420477862.db2.gz FLMWVSYNXQFZIR-HNNXBMFYSA-N 1 3 339.911 3.131 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001716022709 1420477864 /nfs/dbraw/zinc/47/78/64/1420477864.db2.gz FLMWVSYNXQFZIR-HNNXBMFYSA-N 1 3 339.911 3.131 10 0 EGAEHO C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001716174369 1420551627 /nfs/dbraw/zinc/55/16/27/1420551627.db2.gz QNGADFCATZBOLG-IAGOWNOFSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC001716509127 1420741412 /nfs/dbraw/zinc/74/14/12/1420741412.db2.gz WROFWPWFNDMVKT-KRWDZBQOSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001716509127 1420741418 /nfs/dbraw/zinc/74/14/18/1420741418.db2.gz WROFWPWFNDMVKT-KRWDZBQOSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001716642394 1420797991 /nfs/dbraw/zinc/79/79/91/1420797991.db2.gz LHNVPKBVAGWODT-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1CCC ZINC001716711487 1420864130 /nfs/dbraw/zinc/86/41/30/1420864130.db2.gz XAJIYXGLDNCCSG-QYZOEREBSA-N 1 3 335.536 3.116 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1CCC ZINC001716711487 1420864132 /nfs/dbraw/zinc/86/41/32/1420864132.db2.gz XAJIYXGLDNCCSG-QYZOEREBSA-N 1 3 335.536 3.116 10 0 EGAEHO CCCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001716972338 1421057634 /nfs/dbraw/zinc/05/76/34/1421057634.db2.gz ZOCPUSDDIGAKDR-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)C1 ZINC001717003448 1421072651 /nfs/dbraw/zinc/07/26/51/1421072651.db2.gz ZQNCIANLDYMDOT-MISYRCLQSA-N 1 3 349.563 3.031 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001717004301 1421073236 /nfs/dbraw/zinc/07/32/36/1421073236.db2.gz GGAJCUDCYCCJGK-KZNAEPCWSA-N 1 3 339.568 3.275 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC=C(C)C)cc1)N(C)C ZINC001717114595 1421118664 /nfs/dbraw/zinc/11/86/64/1421118664.db2.gz CPJXWAYHTAIGBF-APWZRJJASA-N 1 3 331.504 3.260 10 0 EGAEHO CN(CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1)CC(C)(C)C ZINC001717157538 1421146931 /nfs/dbraw/zinc/14/69/31/1421146931.db2.gz PCOYJQOXMVVHPU-KURKYZTESA-N 1 3 349.563 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C ZINC001717313032 1421258103 /nfs/dbraw/zinc/25/81/03/1421258103.db2.gz IXEMNCOBRUUDGV-LJQANCHMSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C ZINC001717313032 1421258106 /nfs/dbraw/zinc/25/81/06/1421258106.db2.gz IXEMNCOBRUUDGV-LJQANCHMSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001717456853 1421386079 /nfs/dbraw/zinc/38/60/79/1421386079.db2.gz NBVDBUZMQWEZIE-IRXDYDNUSA-N 1 3 348.535 3.243 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001717642114 1421546712 /nfs/dbraw/zinc/54/67/12/1421546712.db2.gz JOOPSYFUINGHSF-WGSAOQKQSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730259 1421596436 /nfs/dbraw/zinc/59/64/36/1421596436.db2.gz SVGQDGGTNCQFLB-PMACEKPBSA-N 1 3 349.563 3.266 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717884151 1421687430 /nfs/dbraw/zinc/68/74/30/1421687430.db2.gz HOQCZABDWPFECS-MSOLQXFVSA-N 1 3 346.519 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001717904297 1421700298 /nfs/dbraw/zinc/70/02/98/1421700298.db2.gz IGKZPHMMDYNBHS-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001717960009 1421731954 /nfs/dbraw/zinc/73/19/54/1421731954.db2.gz UNISSUBSWOCQHU-IRXDYDNUSA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001717980860 1421752743 /nfs/dbraw/zinc/75/27/43/1421752743.db2.gz OEPMTCKDEPLTFK-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001717985527 1421757999 /nfs/dbraw/zinc/75/79/99/1421757999.db2.gz MXZAKGKDKYZOOR-CVEARBPZSA-N 1 3 348.535 3.160 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001717985328 1421758133 /nfs/dbraw/zinc/75/81/33/1421758133.db2.gz FYNITZWCEYBBQB-ZERCDLRSSA-N 1 3 337.552 3.146 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001733336187 1429521012 /nfs/dbraw/zinc/52/10/12/1429521012.db2.gz RKNQRXPNKXQNCY-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001733354137 1429534486 /nfs/dbraw/zinc/53/44/86/1429534486.db2.gz ZPYVSFSJTVKWBQ-OALUTQOASA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001723624582 1424496230 /nfs/dbraw/zinc/49/62/30/1424496230.db2.gz DSEMEMYZHZZCOF-YQQQUEKLSA-N 1 3 337.552 3.409 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC001724342915 1424840511 /nfs/dbraw/zinc/84/05/11/1424840511.db2.gz FMNVBMPTPPXPES-QUCCMNQESA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC001724342915 1424840517 /nfs/dbraw/zinc/84/05/17/1424840517.db2.gz FMNVBMPTPPXPES-QUCCMNQESA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724734170 1425087728 /nfs/dbraw/zinc/08/77/28/1425087728.db2.gz NSNRFODSQMEVIB-LJQANCHMSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001725136785 1425611550 /nfs/dbraw/zinc/61/15/50/1425611550.db2.gz MBLXBQDFBQAEBW-UHFFFAOYSA-N 1 3 325.541 3.122 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001725178297 1425698529 /nfs/dbraw/zinc/69/85/29/1425698529.db2.gz RFAPNJLGKNWADO-VQIMIIECSA-N 1 3 347.547 3.261 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001725178297 1425698531 /nfs/dbraw/zinc/69/85/31/1425698531.db2.gz RFAPNJLGKNWADO-VQIMIIECSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001725182335 1425708867 /nfs/dbraw/zinc/70/88/67/1425708867.db2.gz ZJOXYUCIVWFITK-KRWDZBQOSA-N 1 3 345.531 3.088 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001725656178 1426339460 /nfs/dbraw/zinc/33/94/60/1426339460.db2.gz SUHYLMJEVBEXFN-OSFIAYCASA-N 1 3 335.536 3.092 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001725764308 1426446689 /nfs/dbraw/zinc/44/66/89/1426446689.db2.gz SZSDCHCEUIQYQQ-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@H](C)c2ccccc2F)CC[N@@H+]1C ZINC001731241269 1427197515 /nfs/dbraw/zinc/19/75/15/1427197515.db2.gz HJQYRMFTSWEGSH-HHXXYDBFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@H](C)c2ccccc2F)CC[N@H+]1C ZINC001731241269 1427197517 /nfs/dbraw/zinc/19/75/17/1427197517.db2.gz HJQYRMFTSWEGSH-HHXXYDBFSA-N 1 3 349.494 3.055 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cs1 ZINC001731248023 1427201363 /nfs/dbraw/zinc/20/13/63/1427201363.db2.gz IPRYMYRZOKWFSY-ROUUACIJSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cs1 ZINC001731248023 1427201365 /nfs/dbraw/zinc/20/13/65/1427201365.db2.gz IPRYMYRZOKWFSY-ROUUACIJSA-N 1 3 349.544 3.012 10 0 EGAEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC(C)C1 ZINC001731319357 1427259880 /nfs/dbraw/zinc/25/98/80/1427259880.db2.gz KRQPWYBUFOTUSI-ACBHZAAOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC(C)C1 ZINC001731319357 1427259881 /nfs/dbraw/zinc/25/98/81/1427259881.db2.gz KRQPWYBUFOTUSI-ACBHZAAOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001731377920 1427312887 /nfs/dbraw/zinc/31/28/87/1427312887.db2.gz OJUJXEJVBGEXPU-DSQZMVHQSA-N 1 3 347.547 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688286 1427736325 /nfs/dbraw/zinc/73/63/25/1427736325.db2.gz XNXZOPZMRUNSNJ-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001731740684 1427828463 /nfs/dbraw/zinc/82/84/63/1427828463.db2.gz XYDMLNKHHJKHDF-IEBWSBKVSA-N 1 3 349.563 3.316 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731883173 1428155489 /nfs/dbraw/zinc/15/54/89/1428155489.db2.gz BWBVCZVOQWGXRD-IBGZPJMESA-N 1 3 347.547 3.022 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731883173 1428155494 /nfs/dbraw/zinc/15/54/94/1428155494.db2.gz BWBVCZVOQWGXRD-IBGZPJMESA-N 1 3 347.547 3.022 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001733761714 1429977106 /nfs/dbraw/zinc/97/71/06/1429977106.db2.gz YOGHOUMZKXHZRU-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)C)CC1 ZINC001733761714 1429977109 /nfs/dbraw/zinc/97/71/09/1429977109.db2.gz YOGHOUMZKXHZRU-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733808877 1430082574 /nfs/dbraw/zinc/08/25/74/1430082574.db2.gz ATQUBUDMCYOUIN-QRVBRYPASA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001733911374 1437729585 /nfs/dbraw/zinc/72/95/85/1437729585.db2.gz PPDAXJYTOFMAHY-SFHVURJKSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001733941945 1437758224 /nfs/dbraw/zinc/75/82/24/1437758224.db2.gz RSUKWWDILSQSGZ-FQEVSTJZSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001733941945 1437758225 /nfs/dbraw/zinc/75/82/25/1437758225.db2.gz RSUKWWDILSQSGZ-FQEVSTJZSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001733960135 1437766157 /nfs/dbraw/zinc/76/61/57/1437766157.db2.gz NEMNPXQYTPNKNR-UHFFFAOYSA-N 1 3 337.552 3.027 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC001734494748 1438131950 /nfs/dbraw/zinc/13/19/50/1438131950.db2.gz BYIXSONJXDACAQ-WARJXXDVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCCCN1C ZINC001734552783 1438151166 /nfs/dbraw/zinc/15/11/66/1438151166.db2.gz YKSGQDOGEQCTTN-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCCCN1C ZINC001734552783 1438151167 /nfs/dbraw/zinc/15/11/67/1438151167.db2.gz YKSGQDOGEQCTTN-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001734603548 1438184383 /nfs/dbraw/zinc/18/43/83/1438184383.db2.gz GMMNDBIIVSYBMJ-QZTJIDSGSA-N 1 3 349.563 3.266 10 0 EGAEHO Cc1ccc(CNCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000069490710 203009203 /nfs/dbraw/zinc/00/92/03/203009203.db2.gz KBAJKBQUNHLMOX-FQEVSTJZSA-N 1 3 328.456 3.123 10 0 EGAEHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353438721 141295218 /nfs/dbraw/zinc/29/52/18/141295218.db2.gz VEQSYVGVGSCSJY-NRSPTQNISA-N 1 3 338.499 3.452 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000248836507 163037725 /nfs/dbraw/zinc/03/77/25/163037725.db2.gz NDSRSEUAHLMYCC-QKYXUNIQSA-N 1 3 332.488 3.235 10 0 EGAEHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(CN(C)C)c1 ZINC000345904976 164291710 /nfs/dbraw/zinc/29/17/10/164291710.db2.gz KUFMRLFDNSYPRT-UHFFFAOYSA-N 1 3 345.531 3.475 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000350143077 165010589 /nfs/dbraw/zinc/01/05/89/165010589.db2.gz MBUHRFLEDIPETM-UHFFFAOYSA-N 1 3 341.503 3.036 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000350143113 165010647 /nfs/dbraw/zinc/01/06/47/165010647.db2.gz MSAJINGTXXXJRJ-UHFFFAOYSA-N 1 3 348.487 3.020 10 0 EGAEHO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000359773246 167229156 /nfs/dbraw/zinc/22/91/56/167229156.db2.gz IEIUYXYRMSQEPK-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000359773246 167229157 /nfs/dbraw/zinc/22/91/57/167229157.db2.gz IEIUYXYRMSQEPK-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CNCc2cnccc2C)cc1 ZINC000280026460 275393318 /nfs/dbraw/zinc/39/33/18/275393318.db2.gz UIIAPOPRJXSYBE-UHFFFAOYSA-N 1 3 327.472 3.400 10 0 EGAEHO Cc1cccc([C@@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000119613279 302020210 /nfs/dbraw/zinc/02/02/10/302020210.db2.gz PUOFLBIMMXZBAX-OKCRPCIYSA-N 1 3 327.516 3.299 10 0 EGAEHO Cc1cccc([C@@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000119613279 302020214 /nfs/dbraw/zinc/02/02/14/302020214.db2.gz PUOFLBIMMXZBAX-OKCRPCIYSA-N 1 3 327.516 3.299 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCC2CC2)C[C@@H](C)O1 ZINC000067452571 307365743 /nfs/dbraw/zinc/36/57/43/307365743.db2.gz JSPMHFYBPOTZOQ-QZTJIDSGSA-N 1 3 346.515 3.454 10 0 EGAEHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414296323 309071155 /nfs/dbraw/zinc/07/11/55/309071155.db2.gz DWSJXTDWBHVMGL-OALUTQOASA-N 1 3 330.516 3.428 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](OC)C(C)(C)C)CC1 ZINC000236783738 307944154 /nfs/dbraw/zinc/94/41/54/307944154.db2.gz QHSWQLJHVOQFEV-FQEVSTJZSA-N 1 3 347.547 3.369 10 0 EGAEHO O=C(NCCCCC[NH+]1CCCC1)c1cccc(CN2CCCC2)c1 ZINC000293797594 308162749 /nfs/dbraw/zinc/16/27/49/308162749.db2.gz BABQLEKXKHVMRC-UHFFFAOYSA-N 1 3 343.515 3.278 10 0 EGAEHO CCCCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414674389 309095076 /nfs/dbraw/zinc/09/50/76/309095076.db2.gz DVTODNRDGQYFQI-SFHVURJKSA-N 1 3 349.494 3.015 10 0 EGAEHO CCCCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414674389 309095077 /nfs/dbraw/zinc/09/50/77/309095077.db2.gz DVTODNRDGQYFQI-SFHVURJKSA-N 1 3 349.494 3.015 10 0 EGAEHO CCCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](CC)c1ccccc1 ZINC000414691038 309095627 /nfs/dbraw/zinc/09/56/27/309095627.db2.gz IKGIBVOAAMVPIF-UYAOXDASSA-N 1 3 345.531 3.437 10 0 EGAEHO CCCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](CC)c1ccccc1 ZINC000414691038 309095628 /nfs/dbraw/zinc/09/56/28/309095628.db2.gz IKGIBVOAAMVPIF-UYAOXDASSA-N 1 3 345.531 3.437 10 0 EGAEHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414745267 309098531 /nfs/dbraw/zinc/09/85/31/309098531.db2.gz PHMTWNPJOLYORE-QAPCUYQASA-N 1 3 349.906 3.064 10 0 EGAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414745267 309098532 /nfs/dbraw/zinc/09/85/32/309098532.db2.gz PHMTWNPJOLYORE-QAPCUYQASA-N 1 3 349.906 3.064 10 0 EGAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942808 309110633 /nfs/dbraw/zinc/11/06/33/309110633.db2.gz MZFATOORQOCERY-ACJLOTCBSA-N 1 3 339.886 3.031 10 0 EGAEHO CC(C)C[C@H](N)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415080666 309118914 /nfs/dbraw/zinc/11/89/14/309118914.db2.gz JPXOYOGCRZWORM-NSHDSACASA-N 1 3 339.789 3.096 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000420314117 309281674 /nfs/dbraw/zinc/28/16/74/309281674.db2.gz YUEBCZSNKIIDBM-YLJYHZDGSA-N 1 3 332.488 3.161 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000420357532 309283882 /nfs/dbraw/zinc/28/38/82/309283882.db2.gz IBMCZKUTCZKAOO-INIZCTEOSA-N 1 3 333.501 3.147 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000420357532 309283883 /nfs/dbraw/zinc/28/38/83/309283883.db2.gz IBMCZKUTCZKAOO-INIZCTEOSA-N 1 3 333.501 3.147 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN(CCc2nccs2)C(C)C)cc1 ZINC000420357532 309283884 /nfs/dbraw/zinc/28/38/84/309283884.db2.gz IBMCZKUTCZKAOO-INIZCTEOSA-N 1 3 333.501 3.147 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000420357533 309283921 /nfs/dbraw/zinc/28/39/21/309283921.db2.gz IBMCZKUTCZKAOO-MRXNPFEDSA-N 1 3 333.501 3.147 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+](CCc2nccs2)C(C)C)cc1 ZINC000420357533 309283922 /nfs/dbraw/zinc/28/39/22/309283922.db2.gz IBMCZKUTCZKAOO-MRXNPFEDSA-N 1 3 333.501 3.147 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(CCc2nccs2)C(C)C)cc1 ZINC000420357533 309283923 /nfs/dbraw/zinc/28/39/23/309283923.db2.gz IBMCZKUTCZKAOO-MRXNPFEDSA-N 1 3 333.501 3.147 10 0 EGAEHO c1ccc(-c2noc(CCCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420386361 309285686 /nfs/dbraw/zinc/28/56/86/309285686.db2.gz FRLUKADNVMFXLO-QZTJIDSGSA-N 1 3 340.471 3.133 10 0 EGAEHO N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720439 309365000 /nfs/dbraw/zinc/36/50/00/309365000.db2.gz ZOEDQZUAZFQMDZ-SJORKVTESA-N 1 3 341.421 3.139 10 0 EGAEHO [NH3+][C@@H]1CCC[C@@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720439 309365001 /nfs/dbraw/zinc/36/50/01/309365001.db2.gz ZOEDQZUAZFQMDZ-SJORKVTESA-N 1 3 341.421 3.139 10 0 EGAEHO COc1ccc([C@H](NC[C@@H](CC(C)C)N(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422819979 309370196 /nfs/dbraw/zinc/37/01/96/309370196.db2.gz OQXJFPXRRWYDGX-RLLQIKCJSA-N 1 3 333.520 3.054 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccnc(N2CCCCC2)c1 ZINC000422894943 309374694 /nfs/dbraw/zinc/37/46/94/309374694.db2.gz DPEJJSSSQJFUIQ-OAHLLOKOSA-N 1 3 339.487 3.085 10 0 EGAEHO Clc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1Cl ZINC000422930013 309376614 /nfs/dbraw/zinc/37/66/14/309376614.db2.gz ASHGWUMUXMAQMP-VNQPRFMTSA-N 1 3 343.298 3.283 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940557 309377312 /nfs/dbraw/zinc/37/73/12/309377312.db2.gz GZOFEARZKAAFAW-UYAOXDASSA-N 1 3 346.446 3.267 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962853 309378481 /nfs/dbraw/zinc/37/84/81/309378481.db2.gz GUCAPALDLNOOQL-OXQOHEQNSA-N 1 3 332.536 3.400 10 0 EGAEHO CC(C)N1CC[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423042873 309382558 /nfs/dbraw/zinc/38/25/58/309382558.db2.gz MMPZKMVNQZTJTI-RPLLJCPNSA-N 1 3 325.447 3.204 10 0 EGAEHO CC[C@H](N[C@@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058402 309383544 /nfs/dbraw/zinc/38/35/44/309383544.db2.gz CBUPWIAUQWQSBJ-GJZGRUSLSA-N 1 3 347.272 3.383 10 0 EGAEHO CC[C@H](N[C@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058401 309383637 /nfs/dbraw/zinc/38/36/37/309383637.db2.gz CBUPWIAUQWQSBJ-CABCVRRESA-N 1 3 347.272 3.383 10 0 EGAEHO CC(C)(C)CC[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093138 309385596 /nfs/dbraw/zinc/38/55/96/309385596.db2.gz FZDFGGNYJGVKLJ-OXFYSEKESA-N 1 3 332.488 3.019 10 0 EGAEHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094720 309385711 /nfs/dbraw/zinc/38/57/11/309385711.db2.gz KPIZJTYLMNCRCQ-RDGPPVDQSA-N 1 3 335.536 3.068 10 0 EGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423267269 309393094 /nfs/dbraw/zinc/39/30/94/309393094.db2.gz CQQGKLCYAZCQHF-JJRVBVJISA-N 1 3 337.305 3.414 10 0 EGAEHO C[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)COCc1ccccc1 ZINC000425901819 309494285 /nfs/dbraw/zinc/49/42/85/309494285.db2.gz QPAKNUBPDMGSLA-MRXNPFEDSA-N 1 3 343.471 3.084 10 0 EGAEHO CCN1CC[C@@H](C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449088547 310036180 /nfs/dbraw/zinc/03/61/80/310036180.db2.gz HXSFETDHNPGZHZ-QUCCMNQESA-N 1 3 329.532 3.013 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCc2cscn2)CC1 ZINC000449170373 310042036 /nfs/dbraw/zinc/04/20/36/310042036.db2.gz QPPAEFFOXOVHGN-MRXNPFEDSA-N 1 3 329.513 3.371 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000449184816 310043043 /nfs/dbraw/zinc/04/30/43/310043043.db2.gz IJGSJUMHRXJBOS-DBXWQHBBSA-N 1 3 341.543 3.297 10 0 EGAEHO CC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027440 310253400 /nfs/dbraw/zinc/25/34/00/310253400.db2.gz VJADXVOARBQZPS-PMACEKPBSA-N 1 3 330.516 3.380 10 0 EGAEHO CC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027440 310253401 /nfs/dbraw/zinc/25/34/01/310253401.db2.gz VJADXVOARBQZPS-PMACEKPBSA-N 1 3 330.516 3.380 10 0 EGAEHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000453420134 310276202 /nfs/dbraw/zinc/27/62/02/310276202.db2.gz ZGJBRPSQOPHJCR-AWEZNQCLSA-N 1 3 347.894 3.446 10 0 EGAEHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000453420134 310276203 /nfs/dbraw/zinc/27/62/03/310276203.db2.gz ZGJBRPSQOPHJCR-AWEZNQCLSA-N 1 3 347.894 3.446 10 0 EGAEHO C[NH+]1CCC(CC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000456689549 310418120 /nfs/dbraw/zinc/41/81/20/310418120.db2.gz HZVVELSCUGFCBY-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459542743 310559597 /nfs/dbraw/zinc/55/95/97/310559597.db2.gz LWZNYUTYNMVUJG-IBGZPJMESA-N 1 3 341.430 3.475 10 0 EGAEHO CC(C)[NH+]1CCC(N(C)Cc2ccccc2-c2ccnn2C)CC1 ZINC000507098285 312058818 /nfs/dbraw/zinc/05/88/18/312058818.db2.gz PISJTTNQJCNYFU-UHFFFAOYSA-N 1 3 326.488 3.392 10 0 EGAEHO C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000511032707 312153346 /nfs/dbraw/zinc/15/33/46/312153346.db2.gz TWCRGCWVZDGZPT-VQIMIIECSA-N 1 3 334.504 3.219 10 0 EGAEHO C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000511032702 312153433 /nfs/dbraw/zinc/15/34/33/312153433.db2.gz TWCRGCWVZDGZPT-LPHOPBHVSA-N 1 3 334.504 3.219 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccccc1Cl ZINC000514097869 312225041 /nfs/dbraw/zinc/22/50/41/312225041.db2.gz BXEVWUZBRLRTNG-JCHJZTRSSA-N 1 3 335.923 3.405 10 0 EGAEHO C[C@@H]1C[NH+](CCOc2ccc(CCNCC3(F)CC3)cc2)C[C@H]1C ZINC000527232808 312844376 /nfs/dbraw/zinc/84/43/76/312844376.db2.gz BYJQVHVXEOCOPA-IAGOWNOFSA-N 1 3 334.479 3.287 10 0 EGAEHO CCN(C)C[C@@H]1CC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395191 313082760 /nfs/dbraw/zinc/08/27/60/313082760.db2.gz BSKQKVWJLHWDIM-PELRDEGISA-N 1 3 330.516 3.349 10 0 EGAEHO CCN(C)C[C@@H]1CC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395191 313082762 /nfs/dbraw/zinc/08/27/62/313082762.db2.gz BSKQKVWJLHWDIM-PELRDEGISA-N 1 3 330.516 3.349 10 0 EGAEHO CC[N@H+](C)C[C@@H]1CCN(CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395191 313082764 /nfs/dbraw/zinc/08/27/64/313082764.db2.gz BSKQKVWJLHWDIM-PELRDEGISA-N 1 3 330.516 3.349 10 0 EGAEHO CC[N@@H+](C)C[C@@H]1CCN(CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395191 313082767 /nfs/dbraw/zinc/08/27/67/313082767.db2.gz BSKQKVWJLHWDIM-PELRDEGISA-N 1 3 330.516 3.349 10 0 EGAEHO CC[NH+](CC)CC1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000536996287 314156080 /nfs/dbraw/zinc/15/60/80/314156080.db2.gz RQSYQVSBZCIXDB-HNNXBMFYSA-N 1 3 336.476 3.489 10 0 EGAEHO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000538086563 314226231 /nfs/dbraw/zinc/22/62/31/314226231.db2.gz LOQOXUWTVJJWKA-ZDUSSCGKSA-N 1 3 335.398 3.320 10 0 EGAEHO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000538086563 314226234 /nfs/dbraw/zinc/22/62/34/314226234.db2.gz LOQOXUWTVJJWKA-ZDUSSCGKSA-N 1 3 335.398 3.320 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247431 315209457 /nfs/dbraw/zinc/20/94/57/315209457.db2.gz OXROUGZCGHYPDB-NCXUSEDFSA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247431 315209459 /nfs/dbraw/zinc/20/94/59/315209459.db2.gz OXROUGZCGHYPDB-NCXUSEDFSA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247431 315209462 /nfs/dbraw/zinc/20/94/62/315209462.db2.gz OXROUGZCGHYPDB-NCXUSEDFSA-N 1 3 335.923 3.405 10 0 EGAEHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000555350131 315380477 /nfs/dbraw/zinc/38/04/77/315380477.db2.gz NIJJQVGRWDAWLU-HXUWFJFHSA-N 1 3 343.515 3.229 10 0 EGAEHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000555350131 315380480 /nfs/dbraw/zinc/38/04/80/315380480.db2.gz NIJJQVGRWDAWLU-HXUWFJFHSA-N 1 3 343.515 3.229 10 0 EGAEHO CC(C)Cc1ncc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000178785397 323360521 /nfs/dbraw/zinc/36/05/21/323360521.db2.gz JFALWXHOJCBPKB-HOTGVXAUSA-N 1 3 339.549 3.321 10 0 EGAEHO N[C@H]1CCCCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000631832433 460575948 /nfs/dbraw/zinc/57/59/48/460575948.db2.gz FVTOQUGHZQMRKP-ZDUSSCGKSA-N 1 3 327.831 3.011 10 0 EGAEHO N[C@H]1CCCCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000631832433 460575952 /nfs/dbraw/zinc/57/59/52/460575952.db2.gz FVTOQUGHZQMRKP-ZDUSSCGKSA-N 1 3 327.831 3.011 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCN2CCc3c(Cl)cccc3C2)CC1(C)C ZINC000623502876 460585395 /nfs/dbraw/zinc/58/53/95/460585395.db2.gz BUMWANMHLGCJFG-MRXNPFEDSA-N 1 3 335.923 3.161 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCN2CCc3c(Cl)cccc3C2)CC1(C)C ZINC000623502876 460585401 /nfs/dbraw/zinc/58/54/01/460585401.db2.gz BUMWANMHLGCJFG-MRXNPFEDSA-N 1 3 335.923 3.161 10 0 EGAEHO CC[NH+](CC)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968062 460597856 /nfs/dbraw/zinc/59/78/56/460597856.db2.gz CLCLKXKXBMKEDC-OAHLLOKOSA-N 1 3 346.302 3.054 10 0 EGAEHO CCC[N@H+](C)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968846 460598842 /nfs/dbraw/zinc/59/88/42/460598842.db2.gz RUSJVFCJMTZKQM-OAHLLOKOSA-N 1 3 346.302 3.054 10 0 EGAEHO CCC[N@@H+](C)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968846 460598847 /nfs/dbraw/zinc/59/88/47/460598847.db2.gz RUSJVFCJMTZKQM-OAHLLOKOSA-N 1 3 346.302 3.054 10 0 EGAEHO C[C@H]1CCC[C@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246033002 455416145 /nfs/dbraw/zinc/41/61/45/455416145.db2.gz WFLSFSKFAWSXLR-JFROBXPVSA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@H]1CCC[C@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000246033002 455416150 /nfs/dbraw/zinc/41/61/50/455416150.db2.gz WFLSFSKFAWSXLR-JFROBXPVSA-N 1 3 333.564 3.446 10 0 EGAEHO CCCN1CCC([NH2+]Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000061016533 454324049 /nfs/dbraw/zinc/32/40/49/454324049.db2.gz RLKHOGCDYXRWRH-UHFFFAOYSA-N 1 3 328.403 3.261 10 0 EGAEHO C[C@H]1CCCCN1CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047144991 454334251 /nfs/dbraw/zinc/33/42/51/454334251.db2.gz VHNDJNJSCYIBJV-SFHVURJKSA-N 1 3 343.515 3.277 10 0 EGAEHO c1ccc(CC[NH+]2CCC(NC[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000121414102 454431918 /nfs/dbraw/zinc/43/19/18/454431918.db2.gz APFJUBHSQQKBOI-NRFANRHFSA-N 1 3 336.479 3.287 10 0 EGAEHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123609486 454657082 /nfs/dbraw/zinc/65/70/82/454657082.db2.gz DGNLURGSJCAYBP-QZTJIDSGSA-N 1 3 345.531 3.306 10 0 EGAEHO CCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000163241833 454834207 /nfs/dbraw/zinc/83/42/07/454834207.db2.gz RUCLUUCDAKGKEI-INIZCTEOSA-N 1 3 335.923 3.236 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000163312316 454838305 /nfs/dbraw/zinc/83/83/05/454838305.db2.gz GSWKFFZBYFURQP-HOCLYGCPSA-N 1 3 330.451 3.312 10 0 EGAEHO c1ccc(CN2CCCCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635024252 460660068 /nfs/dbraw/zinc/66/00/68/460660068.db2.gz VEDRBQHSWAUMGC-JQKXYWIWSA-N 1 3 327.516 3.304 10 0 EGAEHO COc1ccccc1/C=C/C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237300351 455170798 /nfs/dbraw/zinc/17/07/98/455170798.db2.gz HCGODQIGMSFPNM-GMPQZDMWSA-N 1 3 332.488 3.187 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CC[NH+](CC2CCOCC2)CC1 ZINC000185311695 455538214 /nfs/dbraw/zinc/53/82/14/455538214.db2.gz WITHWFKDGBEVTI-UHFFFAOYSA-N 1 3 339.483 3.400 10 0 EGAEHO Cc1cccc(C)c1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182599751 455549981 /nfs/dbraw/zinc/54/99/81/455549981.db2.gz PYKOZFHEDSFVGE-YOFSQIOKSA-N 1 3 327.516 3.046 10 0 EGAEHO Cc1cccc(C)c1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182599751 455549984 /nfs/dbraw/zinc/54/99/84/455549984.db2.gz PYKOZFHEDSFVGE-YOFSQIOKSA-N 1 3 327.516 3.046 10 0 EGAEHO COc1ccc(CC[C@H]2CCCCN2C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261904869 455967538 /nfs/dbraw/zinc/96/75/38/455967538.db2.gz WSBCRXGKSMIIDU-WIYYLYMNSA-N 1 3 346.515 3.491 10 0 EGAEHO COc1ccc(CC[C@@H]2CCCCN2C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261904006 455967849 /nfs/dbraw/zinc/96/78/49/455967849.db2.gz WSBCRXGKSMIIDU-GHTZIAJQSA-N 1 3 346.515 3.491 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccsc1 ZINC000262088632 455995640 /nfs/dbraw/zinc/99/56/40/455995640.db2.gz CFFXQRBBPZKHHY-XOYOTBSWSA-N 1 3 349.544 3.168 10 0 EGAEHO Fc1ccc(-c2c[nH]c([C@H]3CCCN3CC3CC[NH2+]CC3)n2)cc1 ZINC000262149940 456004720 /nfs/dbraw/zinc/00/47/20/456004720.db2.gz FWZVKBDVGHCMBN-GOSISDBHSA-N 1 3 328.435 3.352 10 0 EGAEHO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272604441 456010384 /nfs/dbraw/zinc/01/03/84/456010384.db2.gz YYNFKTXHDKNCON-BWAGFHJFSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604441 456010390 /nfs/dbraw/zinc/01/03/90/456010390.db2.gz YYNFKTXHDKNCON-BWAGFHJFSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272604441 456010397 /nfs/dbraw/zinc/01/03/97/456010397.db2.gz YYNFKTXHDKNCON-BWAGFHJFSA-N 1 3 338.495 3.090 10 0 EGAEHO C[NH+](C)CCCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000273058567 456162109 /nfs/dbraw/zinc/16/21/09/456162109.db2.gz HFTYWTCUOXNOGG-UHFFFAOYSA-N 1 3 342.274 3.006 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[C@@H]21 ZINC000340424190 456452504 /nfs/dbraw/zinc/45/25/04/456452504.db2.gz BVVSUAQOIOSWML-KKUMJFAQSA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[C@@H]21 ZINC000340424190 456452514 /nfs/dbraw/zinc/45/25/14/456452514.db2.gz BVVSUAQOIOSWML-KKUMJFAQSA-N 1 3 327.394 3.105 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000340472685 456481451 /nfs/dbraw/zinc/48/14/51/456481451.db2.gz KFPJOZQHUQWZKW-HXUWFJFHSA-N 1 3 341.503 3.078 10 0 EGAEHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000338002717 456650065 /nfs/dbraw/zinc/65/00/65/456650065.db2.gz ZDHOQTRJOFDBNC-NHCUHLMSSA-N 1 3 328.500 3.312 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000348683302 456815078 /nfs/dbraw/zinc/81/50/78/456815078.db2.gz OUHWRIBREMFELY-GIESBBMHSA-N 1 3 335.536 3.066 10 0 EGAEHO CC(=O)NC1CCC(NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000348683302 456815081 /nfs/dbraw/zinc/81/50/81/456815081.db2.gz OUHWRIBREMFELY-GIESBBMHSA-N 1 3 335.536 3.066 10 0 EGAEHO Cc1cnn(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000341905064 456994719 /nfs/dbraw/zinc/99/47/19/456994719.db2.gz BGMAQTIIOOQSRW-UHFFFAOYSA-N 1 3 338.499 3.180 10 0 EGAEHO Cc1cnn(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000341905064 456994724 /nfs/dbraw/zinc/99/47/24/456994724.db2.gz BGMAQTIIOOQSRW-UHFFFAOYSA-N 1 3 338.499 3.180 10 0 EGAEHO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000354206417 457130517 /nfs/dbraw/zinc/13/05/17/457130517.db2.gz JVIDJEQSLSWMEH-HOJAQTOUSA-N 1 3 328.500 3.161 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000358555414 458074246 /nfs/dbraw/zinc/07/42/46/458074246.db2.gz AEOZPMFTVMAZMT-QHAWAJNXSA-N 1 3 342.527 3.429 10 0 EGAEHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459325992 458330996 /nfs/dbraw/zinc/33/09/96/458330996.db2.gz MMEFBOUSLZOUSX-LGGPRVQUSA-N 1 3 341.543 3.281 10 0 EGAEHO COCCC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(Br)cc1 ZINC000423453486 458435460 /nfs/dbraw/zinc/43/54/60/458435460.db2.gz XSOJJVNIQNINPF-HUBLWGQQSA-N 1 3 329.282 3.242 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000377113229 458466225 /nfs/dbraw/zinc/46/62/25/458466225.db2.gz IYYFBFROYYHTKG-OAQYLSRUSA-N 1 3 329.532 3.066 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000377113229 458466230 /nfs/dbraw/zinc/46/62/30/458466230.db2.gz IYYFBFROYYHTKG-OAQYLSRUSA-N 1 3 329.532 3.066 10 0 EGAEHO CC[N@H+](CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1)CC(C)C ZINC000469759890 458589790 /nfs/dbraw/zinc/58/97/90/458589790.db2.gz FEHYGDOACUGDNB-INIZCTEOSA-N 1 3 338.458 3.380 10 0 EGAEHO CC[N@@H+](CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1)CC(C)C ZINC000469759890 458589797 /nfs/dbraw/zinc/58/97/97/458589797.db2.gz FEHYGDOACUGDNB-INIZCTEOSA-N 1 3 338.458 3.380 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273026 458601563 /nfs/dbraw/zinc/60/15/63/458601563.db2.gz RXSYZDQPMHPSQD-AANPDWTMSA-N 1 3 342.527 3.344 10 0 EGAEHO C[C@H]1CN(CCCC[NH2+]C2CC(OCc3ccccc3)C2)C[C@H](C)O1 ZINC000493977335 458608936 /nfs/dbraw/zinc/60/89/36/458608936.db2.gz NGSIAXWUUXAPCP-KHQYNDFOSA-N 1 3 346.515 3.213 10 0 EGAEHO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000463069770 458676087 /nfs/dbraw/zinc/67/60/87/458676087.db2.gz BJNJPXKWWMQUCT-PMACEKPBSA-N 1 3 343.559 3.404 10 0 EGAEHO C[N@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000518385459 458864395 /nfs/dbraw/zinc/86/43/95/458864395.db2.gz TVUBARJNHDZZPR-JOCHJYFZSA-N 1 3 335.495 3.433 10 0 EGAEHO C[N@@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000518385459 458864397 /nfs/dbraw/zinc/86/43/97/458864397.db2.gz TVUBARJNHDZZPR-JOCHJYFZSA-N 1 3 335.495 3.433 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCC[C@H]1C ZINC000480624222 459210154 /nfs/dbraw/zinc/21/01/54/459210154.db2.gz JGFMCLQPEAZPRN-SFHLNBCPSA-N 1 3 329.532 3.361 10 0 EGAEHO c1n[nH]c2c1CC[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000568510323 459300283 /nfs/dbraw/zinc/30/02/83/459300283.db2.gz HYWFJEBCNLEFOY-RBUKOAKNSA-N 1 3 336.483 3.054 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000534329292 459315337 /nfs/dbraw/zinc/31/53/37/459315337.db2.gz XFVMSUHRYXYYDX-CQSZACIVSA-N 1 3 327.875 3.157 10 0 EGAEHO CC(C)CN(C)CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000593644316 459939482 /nfs/dbraw/zinc/93/94/82/459939482.db2.gz AZQMNVOZEMIPJJ-UHFFFAOYSA-N 1 3 326.525 3.454 10 0 EGAEHO CCO[C@H](C[N@H+](C)CCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000625286282 460106422 /nfs/dbraw/zinc/10/64/22/460106422.db2.gz UBJDEEXFYDQELC-HXUWFJFHSA-N 1 3 331.504 3.435 10 0 EGAEHO CCO[C@H](C[N@@H+](C)CCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000625286282 460106426 /nfs/dbraw/zinc/10/64/26/460106426.db2.gz UBJDEEXFYDQELC-HXUWFJFHSA-N 1 3 331.504 3.435 10 0 EGAEHO CC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000626019899 460340505 /nfs/dbraw/zinc/34/05/05/460340505.db2.gz RAUBQYVUFKFYRT-HXUWFJFHSA-N 1 3 343.515 3.087 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000628481308 460434027 /nfs/dbraw/zinc/43/40/27/460434027.db2.gz XDRBGPUVXUWALF-IBGZPJMESA-N 1 3 340.467 3.322 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000628481308 460434034 /nfs/dbraw/zinc/43/40/34/460434034.db2.gz XDRBGPUVXUWALF-IBGZPJMESA-N 1 3 340.467 3.322 10 0 EGAEHO C[C@H](N[C@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657873 460492432 /nfs/dbraw/zinc/49/24/32/460492432.db2.gz AZKQWFZAHGCKHK-BLLLJJGKSA-N 1 3 330.394 3.059 10 0 EGAEHO CC(C)N1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631663884 460498364 /nfs/dbraw/zinc/49/83/64/460498364.db2.gz QGRNFPYHZBTUNH-KRWDZBQOSA-N 1 3 328.859 3.365 10 0 EGAEHO NC1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CCOCC1 ZINC000629519927 460792785 /nfs/dbraw/zinc/79/27/85/460792785.db2.gz IXWAXQJQKDKSQL-LJQANCHMSA-N 1 3 328.431 3.207 10 0 EGAEHO CC(C)=CCOc1ccc(CC[C@@H](C)NCC2([NH3+])CCOCC2)cc1 ZINC000629521027 460792901 /nfs/dbraw/zinc/79/29/01/460792901.db2.gz KSRLUZAXSLUNHC-GOSISDBHSA-N 1 3 346.515 3.450 10 0 EGAEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000629521685 460794401 /nfs/dbraw/zinc/79/44/01/460794401.db2.gz REPOBCKTTDYKOR-QGZVFWFLSA-N 1 3 340.467 3.424 10 0 EGAEHO COc1ccc(Oc2ccc(C[NH2+]CC3(N)CCOCC3)cc2)cc1 ZINC000629652861 460847550 /nfs/dbraw/zinc/84/75/50/460847550.db2.gz BVSTZHLKVCSJLR-UHFFFAOYSA-N 1 3 342.439 3.085 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CO[C@H](C4CC4)C2)C3)cc1 ZINC000624223407 460917758 /nfs/dbraw/zinc/91/77/58/460917758.db2.gz TVANRMHCQVMLAT-WHZJULEDSA-N 1 3 326.484 3.339 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CO[C@H](C4CC4)C2)C3)cc1 ZINC000624223407 460917762 /nfs/dbraw/zinc/91/77/62/460917762.db2.gz TVANRMHCQVMLAT-WHZJULEDSA-N 1 3 326.484 3.339 10 0 EGAEHO CC(=O)c1ccc2c(c1)CCN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652341457 461140472 /nfs/dbraw/zinc/14/04/72/461140472.db2.gz RJOHZBNLPGIIMZ-UHFFFAOYSA-N 1 3 334.463 3.136 10 0 EGAEHO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251065 461145704 /nfs/dbraw/zinc/14/57/04/461145704.db2.gz XIIBRAWZVIEXHF-SWLSCSKDSA-N 1 3 328.378 3.219 10 0 EGAEHO CC(C)([NH2+]C[C@H]1CCC2(CNC2)O1)c1ccc(Cl)c(Cl)c1 ZINC000662259028 461147080 /nfs/dbraw/zinc/14/70/80/461147080.db2.gz OLTFGCPSEHISIP-GFCCVEGCSA-N 1 3 329.271 3.339 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccccc2Cl)C1 ZINC000652360355 461154929 /nfs/dbraw/zinc/15/49/29/461154929.db2.gz FYUFYSUOEDEEPH-KYJSFNMBSA-N 1 3 338.879 3.080 10 0 EGAEHO c1ccc(C[C@@H]2c3ccccc3CC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662279511 461162869 /nfs/dbraw/zinc/16/28/69/461162869.db2.gz KUANLRCBOXZTHJ-IFMALSPDSA-N 1 3 348.490 3.350 10 0 EGAEHO c1ccc(C[C@@H]2c3ccccc3CC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662279511 461162875 /nfs/dbraw/zinc/16/28/75/461162875.db2.gz KUANLRCBOXZTHJ-IFMALSPDSA-N 1 3 348.490 3.350 10 0 EGAEHO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccccc1CN1CCCCC1 ZINC000662355066 461206395 /nfs/dbraw/zinc/20/63/95/461206395.db2.gz CPZWGXHJYUGECL-SFHVURJKSA-N 1 3 345.531 3.300 10 0 EGAEHO CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)CC(C)C ZINC000662493115 461268328 /nfs/dbraw/zinc/26/83/28/461268328.db2.gz FUICQGFUOLMLLL-HKUYNNGSSA-N 1 3 331.504 3.094 10 0 EGAEHO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CS1 ZINC000668488581 461301699 /nfs/dbraw/zinc/30/16/99/461301699.db2.gz BZQOCQCOPNQPEK-FHWLQOOXSA-N 1 3 348.556 3.263 10 0 EGAEHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CS1 ZINC000668488583 461303040 /nfs/dbraw/zinc/30/30/40/461303040.db2.gz BZQOCQCOPNQPEK-QRVBRYPASA-N 1 3 348.556 3.263 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]CCc3cccc(Cl)c3)cc2)C1 ZINC000668489800 461303184 /nfs/dbraw/zinc/30/31/84/461303184.db2.gz MWZLBQUYNIICMU-HXUWFJFHSA-N 1 3 344.886 3.239 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000655819257 461474857 /nfs/dbraw/zinc/47/48/57/461474857.db2.gz XSTNXUIGRCBTPW-XUVXKRRUSA-N 1 3 328.500 3.303 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000656200591 461645649 /nfs/dbraw/zinc/64/56/49/461645649.db2.gz AOVUSFVJGCGWJB-KVPLUYHFSA-N 1 3 330.472 3.180 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000643456699 461732369 /nfs/dbraw/zinc/73/23/69/461732369.db2.gz FMJJIPVKOHMTFA-AZUAARDMSA-N 1 3 328.456 3.128 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000666857940 461838826 /nfs/dbraw/zinc/83/88/26/461838826.db2.gz QOGTZIXGLKKBLX-RISCZKNCSA-N 1 3 329.257 3.251 10 0 EGAEHO c1ccc2c(c1)O[C@H](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CS2 ZINC000647800933 461844052 /nfs/dbraw/zinc/84/40/52/461844052.db2.gz MKPXEMMAEMVFHZ-QBPKDAKJSA-N 1 3 332.513 3.440 10 0 EGAEHO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000650750795 461933420 /nfs/dbraw/zinc/93/34/20/461933420.db2.gz LDUKXFOUBBBBSK-VQIMIIECSA-N 1 3 339.483 3.314 10 0 EGAEHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC000657349983 462063897 /nfs/dbraw/zinc/06/38/97/462063897.db2.gz QWHMFMLKOUTSSW-HXUWFJFHSA-N 1 3 343.515 3.021 10 0 EGAEHO C[C@@H]1C[C@@H]1c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536901 462172080 /nfs/dbraw/zinc/17/20/80/462172080.db2.gz TYCYKNUZNMFBFP-BEFAXECRSA-N 1 3 332.488 3.384 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(C(F)F)cc3)cc2)C1 ZINC000657594906 462197134 /nfs/dbraw/zinc/19/71/34/462197134.db2.gz FHTLFJXHSJTPEQ-LJQANCHMSA-N 1 3 346.421 3.481 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(C(F)F)cc3)cc2)C1 ZINC000657594906 462197139 /nfs/dbraw/zinc/19/71/39/462197139.db2.gz FHTLFJXHSJTPEQ-LJQANCHMSA-N 1 3 346.421 3.481 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657594620 462197528 /nfs/dbraw/zinc/19/75/28/462197528.db2.gz CIBPFXZDLNPZAJ-ORYQWCPZSA-N 1 3 328.500 3.335 10 0 EGAEHO CC1(C)C[N@H+](CCCCO)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835382 462210509 /nfs/dbraw/zinc/21/05/09/462210509.db2.gz AKFZVQBXKSLEIF-HXUWFJFHSA-N 1 3 330.516 3.382 10 0 EGAEHO CC1(C)C[N@@H+](CCCCO)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835382 462210513 /nfs/dbraw/zinc/21/05/13/462210513.db2.gz AKFZVQBXKSLEIF-HXUWFJFHSA-N 1 3 330.516 3.382 10 0 EGAEHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)c1ccccn1 ZINC000658063178 462362896 /nfs/dbraw/zinc/36/28/96/462362896.db2.gz JMJUJJBFMZHMAK-IRXDYDNUSA-N 1 3 327.472 3.476 10 0 EGAEHO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658137437 462401088 /nfs/dbraw/zinc/40/10/88/462401088.db2.gz GRESMZXLXUMEIL-QAPCUYQASA-N 1 3 330.497 3.036 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139208 462402446 /nfs/dbraw/zinc/40/24/46/462402446.db2.gz PKTFCVLULKNFKF-FGZHOGPDSA-N 1 3 336.479 3.494 10 0 EGAEHO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139635 462403862 /nfs/dbraw/zinc/40/38/62/462403862.db2.gz QQHMGPWBNYHEIZ-BBRMVZONSA-N 1 3 330.394 3.074 10 0 EGAEHO Cc1cc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140641 462403721 /nfs/dbraw/zinc/40/37/21/462403721.db2.gz VSMZLMBCIPXBDS-BEFAXECRSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1cc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140641 462403724 /nfs/dbraw/zinc/40/37/24/462403724.db2.gz VSMZLMBCIPXBDS-BEFAXECRSA-N 1 3 330.497 3.474 10 0 EGAEHO CC1(C)C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319088 462474801 /nfs/dbraw/zinc/47/48/01/462474801.db2.gz WWHGBLTWLHAXLT-OALUTQOASA-N 1 3 328.500 3.446 10 0 EGAEHO CC1(C)C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319088 462474805 /nfs/dbraw/zinc/47/48/05/462474805.db2.gz WWHGBLTWLHAXLT-OALUTQOASA-N 1 3 328.500 3.446 10 0 EGAEHO CC1(C)C[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319089 462475493 /nfs/dbraw/zinc/47/54/93/462475493.db2.gz WWHGBLTWLHAXLT-RBUKOAKNSA-N 1 3 328.500 3.446 10 0 EGAEHO CC1(C)C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319089 462475496 /nfs/dbraw/zinc/47/54/96/462475496.db2.gz WWHGBLTWLHAXLT-RBUKOAKNSA-N 1 3 328.500 3.446 10 0 EGAEHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339162 462481102 /nfs/dbraw/zinc/48/11/02/462481102.db2.gz QTNZHIJCBZBLIG-IEBWSBKVSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CC(N)=O)CCCCC2)CC1 ZINC000658339162 462481106 /nfs/dbraw/zinc/48/11/06/462481106.db2.gz QTNZHIJCBZBLIG-IEBWSBKVSA-N 1 3 349.563 3.445 10 0 EGAEHO CCN1CC[C@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166422648 527814698 /nfs/dbraw/zinc/81/46/98/527814698.db2.gz HFSOOQROPJCDER-CYBMUJFWSA-N 1 3 348.288 3.429 10 0 EGAEHO CCC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000131502830 527971024 /nfs/dbraw/zinc/97/10/24/527971024.db2.gz LQXMIGFLVRQVQX-HXUWFJFHSA-N 1 3 345.531 3.087 10 0 EGAEHO CCC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000131502830 527971031 /nfs/dbraw/zinc/97/10/31/527971031.db2.gz LQXMIGFLVRQVQX-HXUWFJFHSA-N 1 3 345.531 3.087 10 0 EGAEHO CC[NH+](CC)CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000264953466 535501775 /nfs/dbraw/zinc/50/17/75/535501775.db2.gz YILVUYLXOJDJHM-UHFFFAOYSA-N 1 3 331.504 3.134 10 0 EGAEHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000383697004 547821497 /nfs/dbraw/zinc/82/14/97/547821497.db2.gz ROXMITOBUIGQHZ-FDKIHUSFSA-N 1 3 328.500 3.444 10 0 EGAEHO C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000675749227 548973233 /nfs/dbraw/zinc/97/32/33/548973233.db2.gz UCCKVCHOZDHFLX-CUXKYVRBSA-N 1 3 343.559 3.465 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000684374223 550321131 /nfs/dbraw/zinc/32/11/31/550321131.db2.gz KYQOOKSSMJZPLS-TZIWHRDSSA-N 1 3 346.515 3.454 10 0 EGAEHO CC[N@@H+]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)[C@@H](C)C1 ZINC000221870865 564036551 /nfs/dbraw/zinc/03/65/51/564036551.db2.gz XEUIBHBBSPOBQM-PXNSSMCTSA-N 1 3 345.531 3.033 10 0 EGAEHO CC[N@H+]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)[C@@H](C)C1 ZINC000221870865 564036552 /nfs/dbraw/zinc/03/65/52/564036552.db2.gz XEUIBHBBSPOBQM-PXNSSMCTSA-N 1 3 345.531 3.033 10 0 EGAEHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000160767387 1294277083 /nfs/dbraw/zinc/27/70/83/1294277083.db2.gz GKGCCIAICJAQGG-NQIIRXRSSA-N 1 3 329.532 3.359 10 0 EGAEHO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1scnc1C)CC2 ZINC000169782606 1294373085 /nfs/dbraw/zinc/37/30/85/1294373085.db2.gz HGWFITHSUXEYKO-MRXNPFEDSA-N 1 3 349.544 3.164 10 0 EGAEHO COC[C@H]1C[N@H+](C2CCC2)CC12CCN(Cc1scnc1C)CC2 ZINC000169782606 1294373089 /nfs/dbraw/zinc/37/30/89/1294373089.db2.gz HGWFITHSUXEYKO-MRXNPFEDSA-N 1 3 349.544 3.164 10 0 EGAEHO O=C(OC[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCN(C2CC2)CC1 ZINC000870732876 1296050930 /nfs/dbraw/zinc/05/09/30/1296050930.db2.gz KMZPSKQLJGBSPF-LJQANCHMSA-N 1 3 334.504 3.201 10 0 EGAEHO O=C(OC[C@H]1CC[N@H+]1C1CCCCCC1)C1CCN(C2CC2)CC1 ZINC000870732876 1296050939 /nfs/dbraw/zinc/05/09/39/1296050939.db2.gz KMZPSKQLJGBSPF-LJQANCHMSA-N 1 3 334.504 3.201 10 0 EGAEHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872032534 1296682787 /nfs/dbraw/zinc/68/27/87/1296682787.db2.gz VXYGVRMECRZNGJ-ACRUOGEOSA-N 1 3 330.516 3.346 10 0 EGAEHO CC(C)[NH+]1CCC(N[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401768485 1297741497 /nfs/dbraw/zinc/74/14/97/1297741497.db2.gz ZQYBXVLKLYIDIE-WBVHZDCISA-N 1 3 339.524 3.094 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@H](CNCc3cccc4c3CCOC4)C2)cc1 ZINC000883106711 1302252039 /nfs/dbraw/zinc/25/20/39/1302252039.db2.gz BUNWQGCBYCZFLO-LJQANCHMSA-N 1 3 336.479 3.371 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@H](CNCc3cccc4c3CCOC4)C2)cc1 ZINC000883106711 1302252046 /nfs/dbraw/zinc/25/20/46/1302252046.db2.gz BUNWQGCBYCZFLO-LJQANCHMSA-N 1 3 336.479 3.371 10 0 EGAEHO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534452 1303490175 /nfs/dbraw/zinc/49/01/75/1303490175.db2.gz IYXWOSNHLLLMEA-URZNZNTCSA-N 1 3 330.516 3.426 10 0 EGAEHO c1cn2cc(CN3CCC(CCC[NH+]4CCCC4)CC3)sc2n1 ZINC000892144413 1305266263 /nfs/dbraw/zinc/26/62/63/1305266263.db2.gz ODPKCHPWSMVERU-UHFFFAOYSA-N 1 3 332.517 3.484 10 0 EGAEHO Cc1nc(C)c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000929485914 1328612224 /nfs/dbraw/zinc/61/22/24/1328612224.db2.gz PIYQSDJTCRTTQQ-UHFFFAOYSA-N 1 3 326.488 3.371 10 0 EGAEHO Cc1nc(C)c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000929485914 1328612227 /nfs/dbraw/zinc/61/22/27/1328612227.db2.gz PIYQSDJTCRTTQQ-UHFFFAOYSA-N 1 3 326.488 3.371 10 0 EGAEHO CC(C)Cc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930135881 1328794935 /nfs/dbraw/zinc/79/49/35/1328794935.db2.gz HMYHACDGQNWDIY-SIKLNZKXSA-N 1 3 343.559 3.343 10 0 EGAEHO CCc1onc(C)c1CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000930143832 1328797411 /nfs/dbraw/zinc/79/74/11/1328797411.db2.gz AVPRSIQLFDHYSJ-UHFFFAOYSA-N 1 3 337.508 3.116 10 0 EGAEHO CCc1onc(C)c1CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000930143832 1328797415 /nfs/dbraw/zinc/79/74/15/1328797415.db2.gz AVPRSIQLFDHYSJ-UHFFFAOYSA-N 1 3 337.508 3.116 10 0 EGAEHO C[C@H](NC[C@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376102 1322741925 /nfs/dbraw/zinc/74/19/25/1322741925.db2.gz HVOPOSKTDBULLJ-VHSXEESVSA-N 1 3 333.234 3.162 10 0 EGAEHO C[C@@H]1CN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923502045 1322764090 /nfs/dbraw/zinc/76/40/90/1322764090.db2.gz WQFXIWCEACXSEW-IMFGXOCKSA-N 1 3 337.467 3.283 10 0 EGAEHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924525848 1323043248 /nfs/dbraw/zinc/04/32/48/1323043248.db2.gz HBYGEIQVWMQOFE-HNNXBMFYSA-N 1 3 340.309 3.399 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000924704705 1323122921 /nfs/dbraw/zinc/12/29/21/1323122921.db2.gz HKSDQXGVDMQXSN-IUODEOHRSA-N 1 3 338.293 3.153 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccnn1C1CCC1 ZINC000925438746 1325150006 /nfs/dbraw/zinc/15/00/06/1325150006.db2.gz DOYSGNNFJITENG-BBWFWOEESA-N 1 3 334.508 3.148 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccccn2)C2CCC2)C[C@@H](C)O1 ZINC000925440828 1325150076 /nfs/dbraw/zinc/15/00/76/1325150076.db2.gz VOQIPSMMYBXTMF-MBOZVWFJSA-N 1 3 331.504 3.402 10 0 EGAEHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481987 1325170363 /nfs/dbraw/zinc/17/03/63/1325170363.db2.gz PKIICUNHKATGMF-NUEKZKHPSA-N 1 3 331.460 3.200 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925524345 1325189365 /nfs/dbraw/zinc/18/93/65/1325189365.db2.gz RQVUYZGTIRABTO-KBAYOESNSA-N 1 3 332.488 3.220 10 0 EGAEHO CC1(C)[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925530385 1325193606 /nfs/dbraw/zinc/19/36/06/1325193606.db2.gz KFEZQUXRPACGAC-OWCLPIDISA-N 1 3 347.469 3.017 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533166 1325195492 /nfs/dbraw/zinc/19/54/92/1325195492.db2.gz KKZZAOQZQYHDKM-QZTJIDSGSA-N 1 3 331.504 3.164 10 0 EGAEHO Cc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646080 1325246466 /nfs/dbraw/zinc/24/64/66/1325246466.db2.gz SHTZBJRKPHLGHP-HOTGVXAUSA-N 1 3 347.894 3.225 10 0 EGAEHO c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)CCO2)nc1 ZINC000925690314 1325262051 /nfs/dbraw/zinc/26/20/51/1325262051.db2.gz UTUNCBYWESPEQA-SOAMZJECSA-N 1 3 329.488 3.060 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000925717837 1325268543 /nfs/dbraw/zinc/26/85/43/1325268543.db2.gz VELRARZTEQUYJP-AQNXPRMDSA-N 1 3 346.515 3.378 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000925774773 1325293019 /nfs/dbraw/zinc/29/30/19/1325293019.db2.gz CIBPBRZRDMGGKC-FZMZJTMJSA-N 1 3 345.231 3.271 10 0 EGAEHO C[NH+](C)CC[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccn1)c1cccnc1 ZINC000926902563 1327766141 /nfs/dbraw/zinc/76/61/41/1327766141.db2.gz YWNJDYVLMWTJNY-UIFIKXQLSA-N 1 3 338.499 3.470 10 0 EGAEHO COc1ccc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1CN1CCCCC1 ZINC000863548474 1329562605 /nfs/dbraw/zinc/56/26/05/1329562605.db2.gz XQNXHFHXQOVGIA-ABSDTBQOSA-N 1 3 345.531 3.472 10 0 EGAEHO C[C@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001323083253 1387285426 /nfs/dbraw/zinc/28/54/26/1387285426.db2.gz YJTJLMAVTUZJCQ-YLJYHZDGSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1)c1ccc(Cl)cc1 ZINC001323459928 1387373223 /nfs/dbraw/zinc/37/32/23/1387373223.db2.gz OIKLKVFHSYHIEJ-CQSZACIVSA-N 1 3 349.906 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001324100400 1387542791 /nfs/dbraw/zinc/54/27/91/1387542791.db2.gz XGQQSPAPPLIMAE-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001324508844 1387656664 /nfs/dbraw/zinc/65/66/64/1387656664.db2.gz DFYHSIVWJMZAJJ-LJQANCHMSA-N 1 3 346.519 3.106 10 0 EGAEHO CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)N1CCCC1 ZINC001326459289 1388199524 /nfs/dbraw/zinc/19/95/24/1388199524.db2.gz ZTOUVABMMIDMCC-UHFFFAOYSA-N 1 3 345.531 3.265 10 0 EGAEHO CC(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)N1CCCC1 ZINC001326459289 1388199527 /nfs/dbraw/zinc/19/95/27/1388199527.db2.gz ZTOUVABMMIDMCC-UHFFFAOYSA-N 1 3 345.531 3.265 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001326512634 1388225533 /nfs/dbraw/zinc/22/55/33/1388225533.db2.gz JLNRJELRKGLSSW-CADBVGFASA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001326512854 1388225661 /nfs/dbraw/zinc/22/56/61/1388225661.db2.gz NGDHYZXPPIFWKZ-GUDVDZBRSA-N 1 3 337.552 3.170 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001266361256 1377296129 /nfs/dbraw/zinc/29/61/29/1377296129.db2.gz JXTIZOHODFOVQQ-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001266361256 1377296131 /nfs/dbraw/zinc/29/61/31/1377296131.db2.gz JXTIZOHODFOVQQ-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001267971050 1377481319 /nfs/dbraw/zinc/48/13/19/1377481319.db2.gz XJHMSQKUNCXDLI-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001267971050 1377481321 /nfs/dbraw/zinc/48/13/21/1377481321.db2.gz XJHMSQKUNCXDLI-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001268182200 1377490892 /nfs/dbraw/zinc/49/08/92/1377490892.db2.gz UGBYOCNZNMDCGJ-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663186 1378532379 /nfs/dbraw/zinc/53/23/79/1378532379.db2.gz AABGJTCWNNIJCK-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663186 1378532381 /nfs/dbraw/zinc/53/23/81/1378532381.db2.gz AABGJTCWNNIJCK-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001282678380 1378549933 /nfs/dbraw/zinc/54/99/33/1378549933.db2.gz RTXLBCVCNUMYLD-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001282678380 1378549937 /nfs/dbraw/zinc/54/99/37/1378549937.db2.gz RTXLBCVCNUMYLD-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001327694762 1388584112 /nfs/dbraw/zinc/58/41/12/1388584112.db2.gz CALYZWCYGAMPJR-SJORKVTESA-N 1 3 343.515 3.006 10 0 EGAEHO CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001327694762 1388584115 /nfs/dbraw/zinc/58/41/15/1388584115.db2.gz CALYZWCYGAMPJR-SJORKVTESA-N 1 3 343.515 3.006 10 0 EGAEHO CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001327694756 1388584407 /nfs/dbraw/zinc/58/44/07/1388584407.db2.gz CALYZWCYGAMPJR-DLBZAZTESA-N 1 3 343.515 3.006 10 0 EGAEHO CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001327694756 1388584411 /nfs/dbraw/zinc/58/44/11/1388584411.db2.gz CALYZWCYGAMPJR-DLBZAZTESA-N 1 3 343.515 3.006 10 0 EGAEHO Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@H]2CCCN2C)C(C)C)cc1C ZINC001284530814 1379937275 /nfs/dbraw/zinc/93/72/75/1379937275.db2.gz ZYBABUYSTWCQPA-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)CCN(C(=O)[C@H]2CCCN2C)C(C)C)cc1C ZINC001284530814 1379937276 /nfs/dbraw/zinc/93/72/76/1379937276.db2.gz ZYBABUYSTWCQPA-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001284558935 1379968379 /nfs/dbraw/zinc/96/83/79/1379968379.db2.gz PUQVDBNSUPQGEJ-UHFFFAOYSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001327995137 1388640813 /nfs/dbraw/zinc/64/08/13/1388640813.db2.gz HKKMCLAXEHVEBK-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001328101338 1388672409 /nfs/dbraw/zinc/67/24/09/1388672409.db2.gz FCHBYSDWVTVRHE-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001328101338 1388672413 /nfs/dbraw/zinc/67/24/13/1388672413.db2.gz FCHBYSDWVTVRHE-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H](COCc1ccccc1)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308041506 1384080001 /nfs/dbraw/zinc/08/00/01/1384080001.db2.gz VIXCYDRSMCUUAH-RTBURBONSA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@@H](COCc1ccccc1)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308041506 1384080005 /nfs/dbraw/zinc/08/00/05/1384080005.db2.gz VIXCYDRSMCUUAH-RTBURBONSA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@@H](COCc1ccccc1)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041506 1384080011 /nfs/dbraw/zinc/08/00/11/1384080011.db2.gz VIXCYDRSMCUUAH-RTBURBONSA-N 1 3 339.483 3.445 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668676 1384513195 /nfs/dbraw/zinc/51/31/95/1384513195.db2.gz JUPLDZCKDMHBGS-ZWKOTPCHSA-N 1 3 337.552 3.076 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001316718101 1384536053 /nfs/dbraw/zinc/53/60/53/1384536053.db2.gz APKQDKNODDINGT-QQEKUCNNSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001316718101 1384536055 /nfs/dbraw/zinc/53/60/55/1384536055.db2.gz APKQDKNODDINGT-QQEKUCNNSA-N 1 3 349.563 3.288 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001316811264 1384608584 /nfs/dbraw/zinc/60/85/84/1384608584.db2.gz KSCLYZZXJRZQAR-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001316811264 1384608588 /nfs/dbraw/zinc/60/85/88/1384608588.db2.gz KSCLYZZXJRZQAR-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001316812597 1384612300 /nfs/dbraw/zinc/61/23/00/1384612300.db2.gz ZEZRZAHEXCETLE-QGZVFWFLSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001316812597 1384612305 /nfs/dbraw/zinc/61/23/05/1384612305.db2.gz ZEZRZAHEXCETLE-QGZVFWFLSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001316850708 1384639575 /nfs/dbraw/zinc/63/95/75/1384639575.db2.gz IDBPEIDHEJDPAO-HKUYNNGSSA-N 1 3 345.531 3.144 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001316850708 1384639578 /nfs/dbraw/zinc/63/95/78/1384639578.db2.gz IDBPEIDHEJDPAO-HKUYNNGSSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001316936910 1384708483 /nfs/dbraw/zinc/70/84/83/1384708483.db2.gz IJPXAWKBPVSLBH-KRWDZBQOSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317141783 1384909798 /nfs/dbraw/zinc/90/97/98/1384909798.db2.gz VTOFJWFXESVYFL-UXHICEINSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317141783 1384909800 /nfs/dbraw/zinc/90/98/00/1384909800.db2.gz VTOFJWFXESVYFL-UXHICEINSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CCCCC1 ZINC001317702142 1385408077 /nfs/dbraw/zinc/40/80/77/1385408077.db2.gz RMBDGZHDFJZWNL-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CCCCC1 ZINC001317702142 1385408079 /nfs/dbraw/zinc/40/80/79/1385408079.db2.gz RMBDGZHDFJZWNL-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317861962 1385546311 /nfs/dbraw/zinc/54/63/11/1385546311.db2.gz FTZKZCGXQFXARM-IBGZPJMESA-N 1 3 345.531 3.332 10 0 EGAEHO CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317861962 1385546315 /nfs/dbraw/zinc/54/63/15/1385546315.db2.gz FTZKZCGXQFXARM-IBGZPJMESA-N 1 3 345.531 3.332 10 0 EGAEHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318531571 1385740361 /nfs/dbraw/zinc/74/03/61/1385740361.db2.gz VDSOLMDLPAVBCY-QZTJIDSGSA-N 1 3 345.531 3.333 10 0 EGAEHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)C ZINC001318568620 1385762106 /nfs/dbraw/zinc/76/21/06/1385762106.db2.gz BEFQNIXBLUOQEM-APWZRJJASA-N 1 3 343.531 3.120 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319132415 1385970887 /nfs/dbraw/zinc/97/08/87/1385970887.db2.gz LLHSVWVGORPHFM-UXHICEINSA-N 1 3 349.563 3.412 10 0 EGAEHO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001177531846 1385987672 /nfs/dbraw/zinc/98/76/72/1385987672.db2.gz HKDDULHINXMSQW-GOSISDBHSA-N 1 3 343.515 3.086 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1)N(C)C ZINC001319362735 1386080475 /nfs/dbraw/zinc/08/04/75/1386080475.db2.gz XSABVIXMAKNXOS-KRWDZBQOSA-N 1 3 339.568 3.418 10 0 EGAEHO CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001319377972 1386091557 /nfs/dbraw/zinc/09/15/57/1386091557.db2.gz RRYHDMRYVOYGAG-ROUUACIJSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698636945 1406283064 /nfs/dbraw/zinc/28/30/64/1406283064.db2.gz YZAGYTCMCWDJNF-IRXDYDNUSA-N 1 3 335.536 3.068 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F)N(C)C ZINC001319788444 1386296131 /nfs/dbraw/zinc/29/61/31/1386296131.db2.gz NSFDWRKDHQZLAS-HKUYNNGSSA-N 1 3 349.494 3.027 10 0 EGAEHO C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC001320644684 1386677551 /nfs/dbraw/zinc/67/75/51/1386677551.db2.gz MPDCPXOQBAANLM-KRWDZBQOSA-N 1 3 339.483 3.046 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001321663556 1386953039 /nfs/dbraw/zinc/95/30/39/1386953039.db2.gz QPIFDYDNRZIXJS-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001321663593 1386953264 /nfs/dbraw/zinc/95/32/64/1386953264.db2.gz RYQPRRQFIFHABV-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC(C)(C)C ZINC001322168395 1387085311 /nfs/dbraw/zinc/08/53/11/1387085311.db2.gz IVIGFXLWIUDDAD-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC(C)(C)C ZINC001322168395 1387085309 /nfs/dbraw/zinc/08/53/09/1387085309.db2.gz IVIGFXLWIUDDAD-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001329593047 1389173141 /nfs/dbraw/zinc/17/31/41/1389173141.db2.gz XLRGCGSHSYJLCX-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001329593047 1389173144 /nfs/dbraw/zinc/17/31/44/1389173144.db2.gz XLRGCGSHSYJLCX-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001698727254 1406378593 /nfs/dbraw/zinc/37/85/93/1406378593.db2.gz YWNWOJJVZCARPC-HXUWFJFHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001331549277 1389795690 /nfs/dbraw/zinc/79/56/90/1389795690.db2.gz WPFVELBWKSEWJZ-OXQOHEQNSA-N 1 3 345.531 3.087 10 0 EGAEHO C[C@@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001479259807 1392200115 /nfs/dbraw/zinc/20/01/15/1392200115.db2.gz CLYCDXGXKGXWSU-PKOBYXMFSA-N 1 3 331.504 3.012 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001479495604 1392257350 /nfs/dbraw/zinc/25/73/50/1392257350.db2.gz RDIUENXFFGAYHF-WSTZPKSXSA-N 1 3 345.531 3.271 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001479711120 1392333177 /nfs/dbraw/zinc/33/31/77/1392333177.db2.gz FVHCSGMVQKMZOO-QYZOEREBSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001479711120 1392333182 /nfs/dbraw/zinc/33/31/82/1392333182.db2.gz FVHCSGMVQKMZOO-QYZOEREBSA-N 1 3 337.552 3.122 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479823632 1392413093 /nfs/dbraw/zinc/41/30/93/1392413093.db2.gz KRLMTFZDBVHFIL-ZHHRLCKPSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](CC2CCCCCC2)C2CC2)C1 ZINC001479875782 1392452014 /nfs/dbraw/zinc/45/20/14/1392452014.db2.gz HLGNGTOYIIFPFY-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](CC2CCCCCC2)C2CC2)C1 ZINC001479875782 1392452015 /nfs/dbraw/zinc/45/20/15/1392452015.db2.gz HLGNGTOYIIFPFY-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001479985665 1392518298 /nfs/dbraw/zinc/51/82/98/1392518298.db2.gz TXBZLPFJTVLEOP-WLMAVBAVSA-N 1 3 347.547 3.045 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001480286820 1392660075 /nfs/dbraw/zinc/66/00/75/1392660075.db2.gz VBMLETGNWKINEQ-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001480404284 1392741892 /nfs/dbraw/zinc/74/18/92/1392741892.db2.gz ZJLOWRFXMOQPKQ-CTWPCTMYSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001480411015 1392746496 /nfs/dbraw/zinc/74/64/96/1392746496.db2.gz DVUJJTVMTACPNI-WWDZGPRUSA-N 1 3 325.541 3.026 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001481147259 1393133360 /nfs/dbraw/zinc/13/33/60/1393133360.db2.gz AYPXOCOCMIJFCE-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001481147259 1393133362 /nfs/dbraw/zinc/13/33/62/1393133362.db2.gz AYPXOCOCMIJFCE-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001481327301 1393164375 /nfs/dbraw/zinc/16/43/75/1393164375.db2.gz FAOPPELLJUASKY-FXAWDEMLSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001481335588 1393166269 /nfs/dbraw/zinc/16/62/69/1393166269.db2.gz QUSQUNCKZPFVJL-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001491054905 1394413906 /nfs/dbraw/zinc/41/39/06/1394413906.db2.gz IIHVCZQNDIIOTN-KDURUIRLSA-N 1 3 345.531 3.018 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001491079421 1394421049 /nfs/dbraw/zinc/42/10/49/1394421049.db2.gz AZWBRFCMYGHBRN-PBWTXFEYSA-N 1 3 335.536 3.066 10 0 EGAEHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CCCCC1 ZINC001481704622 1394462717 /nfs/dbraw/zinc/46/27/17/1394462717.db2.gz BDZZBMRNXNNIKV-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218702 1394477068 /nfs/dbraw/zinc/47/70/68/1394477068.db2.gz JBDMAPFKVGGOJU-XFHJGTJQSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218702 1394477070 /nfs/dbraw/zinc/47/70/70/1394477070.db2.gz JBDMAPFKVGGOJU-XFHJGTJQSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H]([NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1)c1ccccc1 ZINC001491370703 1394514011 /nfs/dbraw/zinc/51/40/11/1394514011.db2.gz XFJFCQPJSPAWDL-SOAGJPPSSA-N 1 3 345.531 3.495 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816418 1394543562 /nfs/dbraw/zinc/54/35/62/1394543562.db2.gz LPBSRROSTPIWCR-VQTJNVASSA-N 1 3 345.531 3.162 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1ccccc1C ZINC001481838424 1394553105 /nfs/dbraw/zinc/55/31/05/1394553105.db2.gz BVDRUBQJVWENKH-QZTJIDSGSA-N 1 3 345.531 3.415 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001481989042 1394649616 /nfs/dbraw/zinc/64/96/16/1394649616.db2.gz WQDIJNVDTVLDFK-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001482009066 1394668817 /nfs/dbraw/zinc/66/88/17/1394668817.db2.gz BXDZTZXNPGKCHB-IEBWSBKVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCC(C)(C)C ZINC001698970565 1406733920 /nfs/dbraw/zinc/73/39/20/1406733920.db2.gz ACPISEMNNAMGNT-INIZCTEOSA-N 1 3 327.557 3.131 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001482493917 1395046147 /nfs/dbraw/zinc/04/61/47/1395046147.db2.gz IJCAPYPTUUYSAI-QFBILLFUSA-N 1 3 346.519 3.139 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC(C)CC3)C2)C1 ZINC001483847580 1395115025 /nfs/dbraw/zinc/11/50/25/1395115025.db2.gz NAVINEHLZXGQQT-GZNCHQMQSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC(C)CC3)C2)C1 ZINC001483847580 1395115027 /nfs/dbraw/zinc/11/50/27/1395115027.db2.gz NAVINEHLZXGQQT-GZNCHQMQSA-N 1 3 349.563 3.079 10 0 EGAEHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001484618338 1395452357 /nfs/dbraw/zinc/45/23/57/1395452357.db2.gz HBKQVBXRUXLZPK-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001484637291 1395457493 /nfs/dbraw/zinc/45/74/93/1395457493.db2.gz XVPUCHGEQMVUOI-GOSISDBHSA-N 1 3 347.547 3.070 10 0 EGAEHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728558 1395491803 /nfs/dbraw/zinc/49/18/03/1395491803.db2.gz RFDZBKAGNDNPKE-LJQANCHMSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728558 1395491809 /nfs/dbraw/zinc/49/18/09/1395491809.db2.gz RFDZBKAGNDNPKE-LJQANCHMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCC1([NH2+]CCCC(C)C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001484810985 1395546616 /nfs/dbraw/zinc/54/66/16/1395546616.db2.gz RXKFZDQWRNCSAQ-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485084554 1395654766 /nfs/dbraw/zinc/65/47/66/1395654766.db2.gz OMWNVPSLNRMVQD-FQEVSTJZSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485084554 1395654769 /nfs/dbraw/zinc/65/47/69/1395654769.db2.gz OMWNVPSLNRMVQD-FQEVSTJZSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001485238659 1395731040 /nfs/dbraw/zinc/73/10/40/1395731040.db2.gz JEZGOTZTSAIDCK-VOTSOKGWSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378374 1395860642 /nfs/dbraw/zinc/86/06/42/1395860642.db2.gz VMHSFMGNZOBHQR-LPHOPBHVSA-N 1 3 333.520 3.087 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378374 1395860650 /nfs/dbraw/zinc/86/06/50/1395860650.db2.gz VMHSFMGNZOBHQR-LPHOPBHVSA-N 1 3 333.520 3.087 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001485764849 1396141327 /nfs/dbraw/zinc/14/13/27/1396141327.db2.gz GAUZFEWZVAHPHW-VOTSOKGWSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001485764849 1396141332 /nfs/dbraw/zinc/14/13/32/1396141332.db2.gz GAUZFEWZVAHPHW-VOTSOKGWSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001496179554 1396620724 /nfs/dbraw/zinc/62/07/24/1396620724.db2.gz SXBWPILJJWQAAS-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCCCN1C(C)C ZINC001496294264 1396636750 /nfs/dbraw/zinc/63/67/50/1396636750.db2.gz LKIHJEFGDJPWDF-KIUVSXKZSA-N 1 3 343.943 3.122 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001496417559 1396701125 /nfs/dbraw/zinc/70/11/25/1396701125.db2.gz AIYLTJRLLOOWSK-LJQANCHMSA-N 1 3 335.536 3.189 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C)cc1 ZINC001496418915 1396701555 /nfs/dbraw/zinc/70/15/55/1396701555.db2.gz LMXILMCNRQDDQP-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362861 1403700343 /nfs/dbraw/zinc/70/03/43/1403700343.db2.gz IPJZRYWRPCXUKM-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362861 1403700345 /nfs/dbraw/zinc/70/03/45/1403700345.db2.gz IPJZRYWRPCXUKM-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]([NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001690162905 1404360830 /nfs/dbraw/zinc/36/08/30/1404360830.db2.gz RELVSILRTHEDGL-QFBILLFUSA-N 1 3 343.515 3.106 10 0 EGAEHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001690207360 1404414834 /nfs/dbraw/zinc/41/48/34/1404414834.db2.gz VJBSEAGTDIVJRF-QFTWQFLFSA-N 1 3 347.547 3.282 10 0 EGAEHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001690207360 1404414836 /nfs/dbraw/zinc/41/48/36/1404414836.db2.gz VJBSEAGTDIVJRF-QFTWQFLFSA-N 1 3 347.547 3.282 10 0 EGAEHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690458697 1404588399 /nfs/dbraw/zinc/58/83/99/1404588399.db2.gz GNCYFNKDTUNQIR-MOPGFXCFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690458702 1404589008 /nfs/dbraw/zinc/58/90/08/1404589008.db2.gz GNCYFNKDTUNQIR-RTBURBONSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001690480256 1404599969 /nfs/dbraw/zinc/59/99/69/1404599969.db2.gz IONVFWAEKQHGOB-OALUTQOASA-N 1 3 337.552 3.266 10 0 EGAEHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001690713202 1404695884 /nfs/dbraw/zinc/69/58/84/1404695884.db2.gz LXEUKVMJLMKRNB-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001690788117 1404734569 /nfs/dbraw/zinc/73/45/69/1404734569.db2.gz OAUHYRUMSHJCHK-QZTJIDSGSA-N 1 3 346.519 3.248 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+]CC1CCC(C)(C)CC1 ZINC001725412990 1426057820 /nfs/dbraw/zinc/05/78/20/1426057820.db2.gz MJPLMFVGAZKRRP-HNNXBMFYSA-N 1 3 348.535 3.352 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097223 1405033549 /nfs/dbraw/zinc/03/35/49/1405033549.db2.gz HYCQETWQSROJEZ-PMACEKPBSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691098711 1405036666 /nfs/dbraw/zinc/03/66/66/1405036666.db2.gz WKPRTFNWBWLVKJ-FGTMMUONSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001691275572 1405187841 /nfs/dbraw/zinc/18/78/41/1405187841.db2.gz SXDRNBMGNQNXFK-MOPGFXCFSA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC=C(C)C ZINC001691518883 1405317095 /nfs/dbraw/zinc/31/70/95/1405317095.db2.gz XDDFPGOIEXAGDE-XUVXKRRUSA-N 1 3 349.563 3.432 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@H+]1CC=C(C)C ZINC001691518883 1405317101 /nfs/dbraw/zinc/31/71/01/1405317101.db2.gz XDDFPGOIEXAGDE-XUVXKRRUSA-N 1 3 349.563 3.432 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001691637180 1405373139 /nfs/dbraw/zinc/37/31/39/1405373139.db2.gz UWANVMVXPPVHHG-SFHVURJKSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1)N(C)C ZINC001691788912 1405498159 /nfs/dbraw/zinc/49/81/59/1405498159.db2.gz XUFSEHWDFLIWLA-RTBURBONSA-N 1 3 345.531 3.210 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812815 1405525716 /nfs/dbraw/zinc/52/57/16/1405525716.db2.gz DEQYSNUFJXHRAR-JTHGQSKGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812815 1405525717 /nfs/dbraw/zinc/52/57/17/1405525717.db2.gz DEQYSNUFJXHRAR-JTHGQSKGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823225 1405539513 /nfs/dbraw/zinc/53/95/13/1405539513.db2.gz LDUVPFDXNLIWJI-BLGFXRMMSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823225 1405539514 /nfs/dbraw/zinc/53/95/14/1405539514.db2.gz LDUVPFDXNLIWJI-BLGFXRMMSA-N 1 3 337.552 3.290 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCC2CCC2)C1 ZINC001691840957 1405551639 /nfs/dbraw/zinc/55/16/39/1405551639.db2.gz MKSDTHNMYKZPSJ-GGPKGHCWSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(C)C)cc1 ZINC001691860715 1405579191 /nfs/dbraw/zinc/57/91/91/1405579191.db2.gz YPLWSOGQIVTANQ-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692169808 1405818756 /nfs/dbraw/zinc/81/87/56/1405818756.db2.gz OFSJETOWEIFWGG-HOJAQTOUSA-N 1 3 349.563 3.409 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692169808 1405818761 /nfs/dbraw/zinc/81/87/61/1405818761.db2.gz OFSJETOWEIFWGG-HOJAQTOUSA-N 1 3 349.563 3.409 10 0 EGAEHO CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001698589178 1406209738 /nfs/dbraw/zinc/20/97/38/1406209738.db2.gz ZGYRMDSXBCYBLO-RTBURBONSA-N 1 3 335.536 3.140 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001732084715 1428343762 /nfs/dbraw/zinc/34/37/62/1428343762.db2.gz SZTRSQWMHMNSKD-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001732084715 1428343765 /nfs/dbraw/zinc/34/37/65/1428343765.db2.gz SZTRSQWMHMNSKD-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001732084714 1428343906 /nfs/dbraw/zinc/34/39/06/1428343906.db2.gz SZTRSQWMHMNSKD-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001732084714 1428343910 /nfs/dbraw/zinc/34/39/10/1428343910.db2.gz SZTRSQWMHMNSKD-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001732206281 1428455797 /nfs/dbraw/zinc/45/57/97/1428455797.db2.gz SEVHQUBUFKUQLA-RBUKOAKNSA-N 1 3 345.531 3.497 10 0 EGAEHO CCC[NH2+]C[C@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@@H]1C ZINC001732258267 1428498926 /nfs/dbraw/zinc/49/89/26/1428498926.db2.gz CPRQKKPWZNJOEN-LAUBAEHRSA-N 1 3 345.531 3.427 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC1CCC(C)CC1 ZINC001732354108 1428545544 /nfs/dbraw/zinc/54/55/44/1428545544.db2.gz DUSMEIXREZAFTE-LXPRWKDFSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001699153707 1412539620 /nfs/dbraw/zinc/53/96/20/1412539620.db2.gz RUBPQDARZLZPIW-FUHWJXTLSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699774072 1413182237 /nfs/dbraw/zinc/18/22/37/1413182237.db2.gz GPWVOTZNISVATL-CALCHBBNSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001699776137 1413185955 /nfs/dbraw/zinc/18/59/55/1413185955.db2.gz YXONRVWQIZUWTM-FLIBITNWSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001699839152 1413267577 /nfs/dbraw/zinc/26/75/77/1413267577.db2.gz SFWOJEQWLXMXOG-FQEVSTJZSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077654 1413491973 /nfs/dbraw/zinc/49/19/73/1413491973.db2.gz JVHSPCSYBCGTTG-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)N1CCCCC1 ZINC001700142981 1413565761 /nfs/dbraw/zinc/56/57/61/1413565761.db2.gz KSXUCWNNZWXQSY-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC2CCC(C)CC2)CC1 ZINC001700289620 1413739306 /nfs/dbraw/zinc/73/93/06/1413739306.db2.gz SGGBDZLAGZQFMA-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361288 1413875304 /nfs/dbraw/zinc/87/53/04/1413875304.db2.gz BDHWENYIWLQLAS-ZBWOGFRMSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361288 1413875309 /nfs/dbraw/zinc/87/53/09/1413875309.db2.gz BDHWENYIWLQLAS-ZBWOGFRMSA-N 1 3 349.563 3.243 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001700411187 1413953351 /nfs/dbraw/zinc/95/33/51/1413953351.db2.gz DIGCKXCYXFNDDQ-ZWKOTPCHSA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001700414808 1413958251 /nfs/dbraw/zinc/95/82/51/1413958251.db2.gz BVIMFCZDGAZLMN-SJORKVTESA-N 1 3 339.568 3.418 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001700448416 1414028511 /nfs/dbraw/zinc/02/85/11/1414028511.db2.gz LGZZAJLWPSVMNV-SFHVURJKSA-N 1 3 347.547 3.470 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001700488260 1414137711 /nfs/dbraw/zinc/13/77/11/1414137711.db2.gz ULESUOBNKGFOTD-KRWDZBQOSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001700488260 1414137720 /nfs/dbraw/zinc/13/77/20/1414137720.db2.gz ULESUOBNKGFOTD-KRWDZBQOSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001700508024 1414156071 /nfs/dbraw/zinc/15/60/71/1414156071.db2.gz XUERPTMOZKSIID-QUCCMNQESA-N 1 3 345.531 3.306 10 0 EGAEHO Cc1ccc(C[N@@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)cc1C ZINC001700981748 1414623071 /nfs/dbraw/zinc/62/30/71/1414623071.db2.gz YBGXXRIIDGBGBN-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO Cc1ccc(C[N@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)cc1C ZINC001700981748 1414623075 /nfs/dbraw/zinc/62/30/75/1414623075.db2.gz YBGXXRIIDGBGBN-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001701013769 1414675418 /nfs/dbraw/zinc/67/54/18/1414675418.db2.gz ZSAPZAAZHLGFIC-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001701061223 1414717920 /nfs/dbraw/zinc/71/79/20/1414717920.db2.gz GCFOHOPURFQZDD-GOSISDBHSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001701061223 1414717921 /nfs/dbraw/zinc/71/79/21/1414717921.db2.gz GCFOHOPURFQZDD-GOSISDBHSA-N 1 3 337.552 3.147 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001732690403 1428911422 /nfs/dbraw/zinc/91/14/22/1428911422.db2.gz OVJSGKQLYFUFDO-UYAOXDASSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001732971492 1429097098 /nfs/dbraw/zinc/09/70/98/1429097098.db2.gz VCESONILZZEFKV-QGZVFWFLSA-N 1 3 347.547 3.382 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001733014005 1429133638 /nfs/dbraw/zinc/13/36/38/1429133638.db2.gz VDHDSLOQXLZKLC-QWXNRMGCSA-N 1 3 343.515 3.057 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001707076468 1417187546 /nfs/dbraw/zinc/18/75/46/1417187546.db2.gz ZDKQIRVUKUXZGF-TZRIAGMCSA-N 1 3 349.563 3.314 10 0 EGAEHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)c1ccccc1F ZINC001713027992 1417579676 /nfs/dbraw/zinc/57/96/76/1417579676.db2.gz PMUZCBLIXZIDJM-IAGOWNOFSA-N 1 3 349.494 3.057 10 0 EGAEHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C)c1ccccc1F ZINC001713027992 1417579680 /nfs/dbraw/zinc/57/96/80/1417579680.db2.gz PMUZCBLIXZIDJM-IAGOWNOFSA-N 1 3 349.494 3.057 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275238 1417893016 /nfs/dbraw/zinc/89/30/16/1417893016.db2.gz GHRBACKNFZIAJF-MOPGFXCFSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275238 1417893020 /nfs/dbraw/zinc/89/30/20/1417893020.db2.gz GHRBACKNFZIAJF-MOPGFXCFSA-N 1 3 349.563 3.434 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001713423664 1418050194 /nfs/dbraw/zinc/05/01/94/1418050194.db2.gz ZDYWMOZMGCDFDR-UYAOXDASSA-N 1 3 345.531 3.162 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515101 1418249901 /nfs/dbraw/zinc/24/99/01/1418249901.db2.gz OJUVXKMDWGZRPH-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515101 1418249908 /nfs/dbraw/zinc/24/99/08/1418249908.db2.gz OJUVXKMDWGZRPH-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)C[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001713692477 1418446517 /nfs/dbraw/zinc/44/65/17/1418446517.db2.gz JOCOFDRPNXEFNR-GOSISDBHSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)C[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001713692477 1418446518 /nfs/dbraw/zinc/44/65/18/1418446518.db2.gz JOCOFDRPNXEFNR-GOSISDBHSA-N 1 3 325.541 3.122 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC1CCCC1)C(C)C ZINC001713695375 1418448894 /nfs/dbraw/zinc/44/88/94/1418448894.db2.gz SPZIUPGGNXJMEG-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC1CCCC1)C(C)C ZINC001713695375 1418448897 /nfs/dbraw/zinc/44/88/97/1418448897.db2.gz SPZIUPGGNXJMEG-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713756200 1418560667 /nfs/dbraw/zinc/56/06/67/1418560667.db2.gz PZJPGEYBIQDNOL-GOSISDBHSA-N 1 3 339.568 3.181 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713756200 1418560669 /nfs/dbraw/zinc/56/06/69/1418560669.db2.gz PZJPGEYBIQDNOL-GOSISDBHSA-N 1 3 339.568 3.181 10 0 EGAEHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713913410 1418709212 /nfs/dbraw/zinc/70/92/12/1418709212.db2.gz XBGLMMIYHJEACK-LWYYNNOASA-N 1 3 349.563 3.218 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001714049604 1418848205 /nfs/dbraw/zinc/84/82/05/1418848205.db2.gz OYEOKYMXQIHXCL-SFHVURJKSA-N 1 3 346.519 3.059 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001714049604 1418848207 /nfs/dbraw/zinc/84/82/07/1418848207.db2.gz OYEOKYMXQIHXCL-SFHVURJKSA-N 1 3 346.519 3.059 10 0 EGAEHO CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001714109673 1418911038 /nfs/dbraw/zinc/91/10/38/1418911038.db2.gz MSDKFDDPTCGWKT-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001714109673 1418911041 /nfs/dbraw/zinc/91/10/41/1418911041.db2.gz MSDKFDDPTCGWKT-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001714173476 1418981233 /nfs/dbraw/zinc/98/12/33/1418981233.db2.gz BFNPDSLUJIZHBE-TZIWHRDSSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714209068 1419009105 /nfs/dbraw/zinc/00/91/05/1419009105.db2.gz SWHZQCMXUVFWNY-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001714514460 1419241867 /nfs/dbraw/zinc/24/18/67/1419241867.db2.gz YGLXXAQRQUEELM-IRXDYDNUSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001714664978 1419452352 /nfs/dbraw/zinc/45/23/52/1419452352.db2.gz CWQRWHOPMCQTGA-XLIONFOSSA-N 1 3 347.547 3.333 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001714810781 1419522006 /nfs/dbraw/zinc/52/20/06/1419522006.db2.gz DOLSHJXJPFBHTO-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001714821044 1419531477 /nfs/dbraw/zinc/53/14/77/1419531477.db2.gz RLJUHYPOHBMJMS-LOYZYROESA-N 1 3 335.536 3.044 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCCN2CC)cc1 ZINC001714881991 1419618894 /nfs/dbraw/zinc/61/88/94/1419618894.db2.gz PSCGBPYLXCJUIX-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714921863 1419674311 /nfs/dbraw/zinc/67/43/11/1419674311.db2.gz XZUZHIAMWBLEDD-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001714921863 1419674313 /nfs/dbraw/zinc/67/43/13/1419674313.db2.gz XZUZHIAMWBLEDD-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077152 1419811707 /nfs/dbraw/zinc/81/17/07/1419811707.db2.gz YOKYYTDNSHBAFZ-MOPGFXCFSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077154 1419811738 /nfs/dbraw/zinc/81/17/38/1419811738.db2.gz YOKYYTDNSHBAFZ-OALUTQOASA-N 1 3 349.563 3.314 10 0 EGAEHO CCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001715194235 1419925893 /nfs/dbraw/zinc/92/58/93/1419925893.db2.gz ACGFXZZJMXSTQH-UHFFFAOYSA-N 1 3 331.504 3.067 10 0 EGAEHO CC[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001715210417 1419943688 /nfs/dbraw/zinc/94/36/88/1419943688.db2.gz ODKCUFIHZXIXQA-ZWKOTPCHSA-N 1 3 339.568 3.371 10 0 EGAEHO CCN(CC[NH2+]Cc1c(C)cccc1C)C(=O)CN(C)CC(C)(C)C ZINC001715758403 1420329241 /nfs/dbraw/zinc/32/92/41/1420329241.db2.gz WYXSOJYUDACMKE-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC001715981386 1420440197 /nfs/dbraw/zinc/44/01/97/1420440197.db2.gz VVWBRHCLQSCLDC-IAOVAPTHSA-N 1 3 339.911 3.226 10 0 EGAEHO Cc1cc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001716018871 1420473598 /nfs/dbraw/zinc/47/35/98/1420473598.db2.gz BJVCOEUPFZDJRL-GOSISDBHSA-N 1 3 345.531 3.033 10 0 EGAEHO Cc1cc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001716018871 1420473599 /nfs/dbraw/zinc/47/35/99/1420473599.db2.gz BJVCOEUPFZDJRL-GOSISDBHSA-N 1 3 345.531 3.033 10 0 EGAEHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001716249771 1420581589 /nfs/dbraw/zinc/58/15/89/1420581589.db2.gz KIZYEDWXHXHDPA-PKOBYXMFSA-N 1 3 333.520 3.143 10 0 EGAEHO C[C@H]([NH2+]C/C=C\CNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001716307286 1420599282 /nfs/dbraw/zinc/59/92/82/1420599282.db2.gz WNWQEYKYNWFDRR-JZIMQPMSSA-N 1 3 349.906 3.147 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724031 1420881701 /nfs/dbraw/zinc/88/17/01/1420881701.db2.gz BNLPRHMOAXCSIP-PRPIBZDOSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724031 1420881702 /nfs/dbraw/zinc/88/17/02/1420881702.db2.gz BNLPRHMOAXCSIP-PRPIBZDOSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724036 1420882003 /nfs/dbraw/zinc/88/20/03/1420882003.db2.gz BNLPRHMOAXCSIP-XJDXJNMNSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724036 1420882006 /nfs/dbraw/zinc/88/20/06/1420882006.db2.gz BNLPRHMOAXCSIP-XJDXJNMNSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC1([NH2+]CCC2CCCC2)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717240033 1421208484 /nfs/dbraw/zinc/20/84/84/1421208484.db2.gz IAOFCERFXQMSEN-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001717248368 1421219994 /nfs/dbraw/zinc/21/99/94/1421219994.db2.gz YCMSPAXTDWUYKM-CTNGQTDRSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001717248368 1421219996 /nfs/dbraw/zinc/21/99/96/1421219996.db2.gz YCMSPAXTDWUYKM-CTNGQTDRSA-N 1 3 349.563 3.079 10 0 EGAEHO CC1CCN(CC(=O)N2CCC(C)([NH2+]CCCC3CCC3)CC2)CC1 ZINC001717302515 1421244453 /nfs/dbraw/zinc/24/44/53/1421244453.db2.gz HJUPPPQYPRLWPI-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309381 1421251985 /nfs/dbraw/zinc/25/19/85/1421251985.db2.gz LMRNMANMFXBRDF-ZSQQTYLHSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309381 1421251987 /nfs/dbraw/zinc/25/19/87/1421251987.db2.gz LMRNMANMFXBRDF-ZSQQTYLHSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)cc1 ZINC001717313117 1421258717 /nfs/dbraw/zinc/25/87/17/1421258717.db2.gz LJDROLORQQHSRY-LJQANCHMSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)cc1 ZINC001717313117 1421258718 /nfs/dbraw/zinc/25/87/18/1421258718.db2.gz LJDROLORQQHSRY-LJQANCHMSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001717450026 1421380242 /nfs/dbraw/zinc/38/02/42/1421380242.db2.gz XGJYWSYQZCOBIB-UHFFFAOYSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001717474548 1421407623 /nfs/dbraw/zinc/40/76/23/1421407623.db2.gz OTIOGKWJPCZQCI-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC001717474548 1421407624 /nfs/dbraw/zinc/40/76/24/1421407624.db2.gz OTIOGKWJPCZQCI-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001717537422 1421475463 /nfs/dbraw/zinc/47/54/63/1421475463.db2.gz DXADJFXZNHWISK-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001717537422 1421475464 /nfs/dbraw/zinc/47/54/64/1421475464.db2.gz DXADJFXZNHWISK-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC001717705415 1421580036 /nfs/dbraw/zinc/58/00/36/1421580036.db2.gz NIUGFRISKQFPCL-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC001717705415 1421580038 /nfs/dbraw/zinc/58/00/38/1421580038.db2.gz NIUGFRISKQFPCL-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCCN2CC)cc1 ZINC001717756792 1421619983 /nfs/dbraw/zinc/61/99/83/1421619983.db2.gz IQPVHEVHEGVIPU-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001717758605 1421621593 /nfs/dbraw/zinc/62/15/93/1421621593.db2.gz YGTJGFPKPLTSHC-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717870064 1421679136 /nfs/dbraw/zinc/67/91/36/1421679136.db2.gz CWJRYPQZXFGQIO-CQQBRXBZSA-N 1 3 349.563 3.482 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873882 1421681415 /nfs/dbraw/zinc/68/14/15/1421681415.db2.gz WTCJFCMKCJWGAL-RTBURBONSA-N 1 3 349.563 3.316 10 0 EGAEHO CN(CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)C1CCC1 ZINC001717895270 1421693208 /nfs/dbraw/zinc/69/32/08/1421693208.db2.gz IAUQEGIVFZFOGC-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001717964886 1421736425 /nfs/dbraw/zinc/73/64/25/1421736425.db2.gz GHLHOLQUWIATMR-ROUUACIJSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001733327867 1429513314 /nfs/dbraw/zinc/51/33/14/1429513314.db2.gz MGHRHDOXDOIJGZ-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001733360745 1429544510 /nfs/dbraw/zinc/54/45/10/1429544510.db2.gz YVDZNDDIOATYQT-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001733386028 1429573113 /nfs/dbraw/zinc/57/31/13/1429573113.db2.gz ZZIQPRDKFCWIBY-PKOBYXMFSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CCCC2)cc1 ZINC001733386934 1429574722 /nfs/dbraw/zinc/57/47/22/1429574722.db2.gz JQHRKJIRBVLONE-HXUWFJFHSA-N 1 3 345.531 3.100 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)cccc1C ZINC001723202336 1424319746 /nfs/dbraw/zinc/31/97/46/1424319746.db2.gz CBTWQIAAJDNDEU-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001723369834 1424373582 /nfs/dbraw/zinc/37/35/82/1424373582.db2.gz FJHQJQJJWANJBI-BUPXIBQPSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606961 1424486443 /nfs/dbraw/zinc/48/64/43/1424486443.db2.gz JABAYYPEQVDDND-RLWBPELLSA-N 1 3 349.563 3.386 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606961 1424486447 /nfs/dbraw/zinc/48/64/47/1424486447.db2.gz JABAYYPEQVDDND-RLWBPELLSA-N 1 3 349.563 3.386 10 0 EGAEHO CCCCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001724307327 1424790318 /nfs/dbraw/zinc/79/03/18/1424790318.db2.gz ZHMNNZPCUPKTFM-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725179732 1425702997 /nfs/dbraw/zinc/70/29/97/1425702997.db2.gz JJNDIKLISTXETM-VQIMIIECSA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725179732 1425703003 /nfs/dbraw/zinc/70/30/03/1425703003.db2.gz JJNDIKLISTXETM-VQIMIIECSA-N 1 3 343.531 3.072 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C/Cl)C(C)C ZINC001725212994 1425775045 /nfs/dbraw/zinc/77/50/45/1425775045.db2.gz KNTHDWOLXDKPRL-ZJJGVRJWSA-N 1 3 343.943 3.076 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(C)C ZINC001725446921 1426111127 /nfs/dbraw/zinc/11/11/27/1426111127.db2.gz KWELTIIBVKIAHD-MAUKXSAKSA-N 1 3 342.487 3.142 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001725523027 1426214476 /nfs/dbraw/zinc/21/44/76/1426214476.db2.gz KYUDAZIUCMSMJT-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(CCN(C)CC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001725731428 1426401806 /nfs/dbraw/zinc/40/18/06/1426401806.db2.gz ALNPZNXYZREETJ-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001725737676 1426412576 /nfs/dbraw/zinc/41/25/76/1426412576.db2.gz DWMJVRAIVDXRGA-MSOLQXFVSA-N 1 3 339.568 3.416 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCC1)C(C)(C)C ZINC001725755213 1426434514 /nfs/dbraw/zinc/43/45/14/1426434514.db2.gz FXVIECAFANSJAW-ROUUACIJSA-N 1 3 339.568 3.273 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001725764357 1426446681 /nfs/dbraw/zinc/44/66/81/1426446681.db2.gz UYYYQAXBVITYKX-QGZVFWFLSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)N1CCCCC1 ZINC001731391320 1427344162 /nfs/dbraw/zinc/34/41/62/1427344162.db2.gz FRLRAAAWKJSOCV-LJQANCHMSA-N 1 3 347.547 3.236 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+]CCC(C)(C)C)C2)c1 ZINC001731682522 1427730049 /nfs/dbraw/zinc/73/00/49/1427730049.db2.gz WNDLYXTZWCQDKM-GOSISDBHSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C(C)C)cc1 ZINC001731832323 1428043478 /nfs/dbraw/zinc/04/34/78/1428043478.db2.gz HYEDEGPIKLPMOR-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C(C)C)cc1 ZINC001731832323 1428043482 /nfs/dbraw/zinc/04/34/82/1428043482.db2.gz HYEDEGPIKLPMOR-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CCCCCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001733836121 1430108828 /nfs/dbraw/zinc/10/88/28/1430108828.db2.gz PIIWBPGUFWZHCN-SFHVURJKSA-N 1 3 343.515 3.150 10 0 EGAEHO CCCCCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001733836121 1430108830 /nfs/dbraw/zinc/10/88/30/1430108830.db2.gz PIIWBPGUFWZHCN-SFHVURJKSA-N 1 3 343.515 3.150 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001733868315 1437695454 /nfs/dbraw/zinc/69/54/54/1437695454.db2.gz YXHMRFQJXJPMQF-GOSISDBHSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001733975048 1437774801 /nfs/dbraw/zinc/77/48/01/1437774801.db2.gz XQTZJTDYTQQSOI-IRXDYDNUSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001734056905 1437848716 /nfs/dbraw/zinc/84/87/16/1437848716.db2.gz DRGVDRBXIPLXOS-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001734056905 1437848718 /nfs/dbraw/zinc/84/87/18/1437848718.db2.gz DRGVDRBXIPLXOS-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001734092387 1437876703 /nfs/dbraw/zinc/87/67/03/1437876703.db2.gz ZSSXNFUNHGIMED-UHFFFAOYSA-N 1 3 325.541 3.173 10 0 EGAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001734285788 1438013972 /nfs/dbraw/zinc/01/39/72/1438013972.db2.gz FIVYQOIKOCNYPW-PKOBYXMFSA-N 1 3 345.531 3.352 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001734346325 1438065218 /nfs/dbraw/zinc/06/52/18/1438065218.db2.gz UMYRCELUBCAYPD-AZUAARDMSA-N 1 3 347.547 3.135 10 0 EGAEHO CCCc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001734453659 1438111430 /nfs/dbraw/zinc/11/14/30/1438111430.db2.gz AVQQZINFYBFEGD-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C)CCC1 ZINC001734561676 1438158987 /nfs/dbraw/zinc/15/89/87/1438158987.db2.gz OLNQBRJFEGVYAK-INIZCTEOSA-N 1 3 339.568 3.418 10 0 EGAEHO C(C1CC1)[N@@H+]1CCC[C@@]2(CCN(C3CSCCSC3)C2)C1 ZINC000020453389 202042691 /nfs/dbraw/zinc/04/26/91/202042691.db2.gz FRWFHHBKAITBEV-QGZVFWFLSA-N 1 3 326.575 3.033 10 0 EGAEHO C(C1CC1)[N@H+]1CCC[C@@]2(CCN(C3CSCCSC3)C2)C1 ZINC000020453389 202042692 /nfs/dbraw/zinc/04/26/92/202042692.db2.gz FRWFHHBKAITBEV-QGZVFWFLSA-N 1 3 326.575 3.033 10 0 EGAEHO C(C1CC1)N1CCC[C@@]2(CC[N@@H+](C3CSCCSC3)C2)C1 ZINC000020453389 202042695 /nfs/dbraw/zinc/04/26/95/202042695.db2.gz FRWFHHBKAITBEV-QGZVFWFLSA-N 1 3 326.575 3.033 10 0 EGAEHO C(C1CC1)N1CCC[C@@]2(CC[N@H+](C3CSCCSC3)C2)C1 ZINC000020453389 202042696 /nfs/dbraw/zinc/04/26/96/202042696.db2.gz FRWFHHBKAITBEV-QGZVFWFLSA-N 1 3 326.575 3.033 10 0 EGAEHO CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cn1 ZINC000273190108 201255408 /nfs/dbraw/zinc/25/54/08/201255408.db2.gz GPVTVYMDMSJMIV-AGKXRFJRSA-N 1 3 338.499 3.464 10 0 EGAEHO C[C@H](c1ccc(Cl)cc1)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000069971695 203066069 /nfs/dbraw/zinc/06/60/69/203066069.db2.gz LUGUJVNPYCFVIJ-MRXNPFEDSA-N 1 3 335.923 3.360 10 0 EGAEHO CC(C)C[C@@H]([NH3+])CN[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076568 309118499 /nfs/dbraw/zinc/11/84/99/309118499.db2.gz CVZGVYCJRIRETL-DGCLKSJQSA-N 1 3 331.273 3.482 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(OCCN(C)C)cc1 ZINC000246835229 141038042 /nfs/dbraw/zinc/03/80/42/141038042.db2.gz BHRBTZORXSKNAB-QLIIJSOBSA-N 1 3 332.488 3.235 10 0 EGAEHO CCO[C@@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222617 144128004 /nfs/dbraw/zinc/12/80/04/144128004.db2.gz LBUSXWKGMCUJEJ-RTBURBONSA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222617 144128005 /nfs/dbraw/zinc/12/80/05/144128005.db2.gz LBUSXWKGMCUJEJ-RTBURBONSA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)C12CCOCC2 ZINC000186222617 144128006 /nfs/dbraw/zinc/12/80/06/144128006.db2.gz LBUSXWKGMCUJEJ-RTBURBONSA-N 1 3 338.536 3.205 10 0 EGAEHO C[C@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000194485100 153340168 /nfs/dbraw/zinc/34/01/68/153340168.db2.gz LEDZNSODCXQEKD-LJQANCHMSA-N 1 3 329.532 3.330 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000310275185 154141536 /nfs/dbraw/zinc/14/15/36/154141536.db2.gz UQBLLUJBOGLQTB-VAMGGRTRSA-N 1 3 328.500 3.303 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@H]1C ZINC000351645098 165112192 /nfs/dbraw/zinc/11/21/92/165112192.db2.gz VBTFLADUAMDYMS-AEFFLSMTSA-N 1 3 326.488 3.392 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@H]1C ZINC000351645098 165112195 /nfs/dbraw/zinc/11/21/95/165112195.db2.gz VBTFLADUAMDYMS-AEFFLSMTSA-N 1 3 326.488 3.392 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@H]1C ZINC000351645103 165113101 /nfs/dbraw/zinc/11/31/01/165113101.db2.gz VBTFLADUAMDYMS-SJLPKXTDSA-N 1 3 326.488 3.392 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@H]1C ZINC000351645103 165113103 /nfs/dbraw/zinc/11/31/03/165113103.db2.gz VBTFLADUAMDYMS-SJLPKXTDSA-N 1 3 326.488 3.392 10 0 EGAEHO CC(C)[NH+](CCCNC(=O)N[C@H](CN(C)C)c1ccccc1)C(C)C ZINC000174131076 265025928 /nfs/dbraw/zinc/02/59/28/265025928.db2.gz JSUULKRWGYLZJW-LJQANCHMSA-N 1 3 348.535 3.097 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000273259227 267007781 /nfs/dbraw/zinc/00/77/81/267007781.db2.gz XPIITGLORSPGGA-FQEVSTJZSA-N 1 3 343.559 3.356 10 0 EGAEHO C[C@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000278831064 275278964 /nfs/dbraw/zinc/27/89/64/275278964.db2.gz TZITVOLKMYOYJR-YVSFHVDLSA-N 1 3 342.405 3.085 10 0 EGAEHO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245845951 298029461 /nfs/dbraw/zinc/02/94/61/298029461.db2.gz JHLJTXCGTSDYAE-WCIQWLHISA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000356230560 299046316 /nfs/dbraw/zinc/04/63/16/299046316.db2.gz MITGELIBYQVZLI-HQRMLTQVSA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000356230560 299046318 /nfs/dbraw/zinc/04/63/18/299046318.db2.gz MITGELIBYQVZLI-HQRMLTQVSA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199444 309066632 /nfs/dbraw/zinc/06/66/32/309066632.db2.gz XBABVFRFQMFNPA-IRXDYDNUSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199444 309066633 /nfs/dbraw/zinc/06/66/33/309066633.db2.gz XBABVFRFQMFNPA-IRXDYDNUSA-N 1 3 326.488 3.470 10 0 EGAEHO OC1(C[NH2+][C@H]2CCC23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000414309494 309072219 /nfs/dbraw/zinc/07/22/19/309072219.db2.gz RVQOMBIYCLWXKL-IBGZPJMESA-N 1 3 328.500 3.326 10 0 EGAEHO Cc1ccc2nccc(N3CCC(OCCC[NH+](C)C)CC3)c2c1 ZINC000302164673 308731668 /nfs/dbraw/zinc/73/16/68/308731668.db2.gz QTCCUXCLPCYRJF-UHFFFAOYSA-N 1 3 327.472 3.480 10 0 EGAEHO CC[NH+](CC)CC1CCN(CCC(=O)c2ccc(OC)cc2)CC1 ZINC000351848326 308884844 /nfs/dbraw/zinc/88/48/44/308884844.db2.gz BBTUKZJSIDEHAY-UHFFFAOYSA-N 1 3 332.488 3.322 10 0 EGAEHO COc1cc2nccc(NC3CC([NH+]4CCCCC4)C3)c2cc1OC ZINC000413274233 309024686 /nfs/dbraw/zinc/02/46/86/309024686.db2.gz WIDVGLGHVAMVRO-UHFFFAOYSA-N 1 3 341.455 3.103 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414945482 309110751 /nfs/dbraw/zinc/11/07/51/309110751.db2.gz RRSVUCBKYVMAFX-RWSFTLGLSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414945482 309110752 /nfs/dbraw/zinc/11/07/52/309110752.db2.gz RRSVUCBKYVMAFX-RWSFTLGLSA-N 1 3 329.257 3.107 10 0 EGAEHO CC[C@H]1C[C@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007153 309113877 /nfs/dbraw/zinc/11/38/77/309113877.db2.gz QXUAEYXNJKXIRV-DJABAAGCSA-N 1 3 334.479 3.314 10 0 EGAEHO Cn1c2ccc(CN[C@@H](CCC[NH3+])c3ccccc3)cc2sc1=O ZINC000415054945 309116992 /nfs/dbraw/zinc/11/69/92/309116992.db2.gz OECQFSCPRGLZMJ-INIZCTEOSA-N 1 3 341.480 3.170 10 0 EGAEHO CNCc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000415894940 309146634 /nfs/dbraw/zinc/14/66/34/309146634.db2.gz AMFKEKFQQCNOEG-HZPDHXFCSA-N 1 3 346.519 3.284 10 0 EGAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2CNC)C1 ZINC000415908863 309147628 /nfs/dbraw/zinc/14/76/28/309147628.db2.gz DXHGXGFALUFMAU-INIZCTEOSA-N 1 3 346.519 3.428 10 0 EGAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2CNC)C1 ZINC000415908863 309147629 /nfs/dbraw/zinc/14/76/29/309147629.db2.gz DXHGXGFALUFMAU-INIZCTEOSA-N 1 3 346.519 3.428 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000415957828 309151132 /nfs/dbraw/zinc/15/11/32/309151132.db2.gz QBMLVLTUALMWAK-UHFFFAOYSA-N 1 3 344.503 3.278 10 0 EGAEHO C[N@H+](CCCNC(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000415998467 309153791 /nfs/dbraw/zinc/15/37/91/309153791.db2.gz SCJUQUJQYVUYHJ-UHFFFAOYSA-N 1 3 330.476 3.066 10 0 EGAEHO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000415998467 309153792 /nfs/dbraw/zinc/15/37/92/309153792.db2.gz SCJUQUJQYVUYHJ-UHFFFAOYSA-N 1 3 330.476 3.066 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)cc1 ZINC000417816314 309223771 /nfs/dbraw/zinc/22/37/71/309223771.db2.gz PUHYMMHNQNCFFO-KDOFPFPSSA-N 1 3 325.456 3.049 10 0 EGAEHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418427352 309245827 /nfs/dbraw/zinc/24/58/27/309245827.db2.gz LCIDGJSAOGDDDX-SFHVURJKSA-N 1 3 346.519 3.030 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)nc2c1 ZINC000422699062 309363594 /nfs/dbraw/zinc/36/35/94/309363594.db2.gz CIHSOCSFPCSADJ-YESZJQIVSA-N 1 3 326.488 3.396 10 0 EGAEHO c1ccc2[nH]c(CCCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000422699062 309363595 /nfs/dbraw/zinc/36/35/95/309363595.db2.gz CIHSOCSFPCSADJ-YESZJQIVSA-N 1 3 326.488 3.396 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422902091 309375202 /nfs/dbraw/zinc/37/52/02/309375202.db2.gz CWYXUMZLGZOQRH-ZDUSSCGKSA-N 1 3 344.528 3.467 10 0 EGAEHO COc1ccc([C@H](NC[C@@H]2CCCCN2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423077112 309384675 /nfs/dbraw/zinc/38/46/75/309384675.db2.gz SMPFLBXBRYKTIT-TYPHKJRUSA-N 1 3 343.515 3.095 10 0 EGAEHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000423153511 309388494 /nfs/dbraw/zinc/38/84/94/309388494.db2.gz HMDAIBUWKHMTRF-ZVZYQTTQSA-N 1 3 325.456 3.454 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2c1CCCN2 ZINC000423408322 309398877 /nfs/dbraw/zinc/39/88/77/309398877.db2.gz ACDMIHZHYKCHQJ-IFMALSPDSA-N 1 3 349.478 3.390 10 0 EGAEHO CNC(=O)[C@H]1CCC[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212067 310044849 /nfs/dbraw/zinc/04/48/49/310044849.db2.gz IJAFNSPWSIYDFJ-IRXDYDNUSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N(C)C[C@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449337936 310054655 /nfs/dbraw/zinc/05/46/55/310054655.db2.gz QUVUAHMLPVHZNC-RBUKOAKNSA-N 1 3 331.548 3.400 10 0 EGAEHO Cc1nccnc1CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449343185 310055085 /nfs/dbraw/zinc/05/50/85/310055085.db2.gz ILJAQALOEJEALK-QGZVFWFLSA-N 1 3 338.499 3.013 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453059150 310255071 /nfs/dbraw/zinc/25/50/71/310255071.db2.gz IJYFXGJEYICHJJ-GXRSIYKFSA-N 1 3 341.543 3.361 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000453232107 310265613 /nfs/dbraw/zinc/26/56/13/310265613.db2.gz JCGAFKIIEJYLAT-FHLIZLRMSA-N 1 3 344.890 3.488 10 0 EGAEHO Cc1cnc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000453408214 310275638 /nfs/dbraw/zinc/27/56/38/310275638.db2.gz SNYPPXOFOMGXDU-WKCHPHFGSA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1cnc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000453408214 310275639 /nfs/dbraw/zinc/27/56/39/310275639.db2.gz SNYPPXOFOMGXDU-WKCHPHFGSA-N 1 3 336.483 3.113 10 0 EGAEHO c1ccc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]2CCOC2)cc1 ZINC000459460114 310554112 /nfs/dbraw/zinc/55/41/12/310554112.db2.gz IQQNOHNDTLKLEU-RXVVDRJESA-N 1 3 337.467 3.418 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCSC[C@@H](C)C2)CC1 ZINC000488376150 311062658 /nfs/dbraw/zinc/06/26/58/311062658.db2.gz DLWOOTXFQIMNRF-SFHVURJKSA-N 1 3 347.572 3.404 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCSC[C@@H](C)C2)CC1 ZINC000488376150 311062659 /nfs/dbraw/zinc/06/26/59/311062659.db2.gz DLWOOTXFQIMNRF-SFHVURJKSA-N 1 3 347.572 3.404 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514086748 312224381 /nfs/dbraw/zinc/22/43/81/312224381.db2.gz CMYOXOUOSLHOBO-FSSWDIPSSA-N 1 3 341.543 3.156 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029358 312359529 /nfs/dbraw/zinc/35/95/29/312359529.db2.gz JSIWNBBPKVSCGV-UXHICEINSA-N 1 3 327.516 3.115 10 0 EGAEHO Fc1cccc(-c2cnc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407974 317196156 /nfs/dbraw/zinc/19/61/56/317196156.db2.gz OCALOOHOPJXDDE-HOTGVXAUSA-N 1 3 329.419 3.302 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000379767027 324241950 /nfs/dbraw/zinc/24/19/50/324241950.db2.gz JERMVCMLJNOZKS-PFAUGDHASA-N 1 3 328.500 3.444 10 0 EGAEHO CN(C)C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC000578910092 325036510 /nfs/dbraw/zinc/03/65/10/325036510.db2.gz OPRYLWSMQJWMHW-SFHVURJKSA-N 1 3 349.494 3.057 10 0 EGAEHO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000579462253 325113189 /nfs/dbraw/zinc/11/31/89/325113189.db2.gz WWRJRJJUZFYYOB-RWOIVKFCSA-N 1 3 342.531 3.190 10 0 EGAEHO CN1CCC(Oc2ccc(C[NH2+]C[C@H](O)CC3CCCC3)cc2)CC1 ZINC000581880410 325396100 /nfs/dbraw/zinc/39/61/00/325396100.db2.gz JVCOAAWKRBAVCI-LJQANCHMSA-N 1 3 346.515 3.190 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000241965683 455270245 /nfs/dbraw/zinc/27/02/45/455270245.db2.gz UUYSRAQLRODBNB-DAHSGPHPSA-N 1 3 328.500 3.443 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623440426 460552025 /nfs/dbraw/zinc/55/20/25/460552025.db2.gz VOIHYSBMAQDRJQ-MISYRCLQSA-N 1 3 329.532 3.359 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cncc(Br)c2)CC1 ZINC000183699739 455322651 /nfs/dbraw/zinc/32/26/51/455322651.db2.gz OLQJLMCAFNHFRB-UHFFFAOYSA-N 1 3 326.282 3.056 10 0 EGAEHO C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809349 460569207 /nfs/dbraw/zinc/56/92/07/460569207.db2.gz OFOHIQMRIDNXKH-MAUKXSAKSA-N 1 3 328.460 3.009 10 0 EGAEHO C[C@H](N[C@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809351 460569612 /nfs/dbraw/zinc/56/96/12/460569612.db2.gz OFOHIQMRIDNXKH-YJBOKZPZSA-N 1 3 328.460 3.009 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000623487253 460575689 /nfs/dbraw/zinc/57/56/89/460575689.db2.gz YTHPIUVALGNPLZ-IHPCNDPISA-N 1 3 329.532 3.359 10 0 EGAEHO CC(=O)N1CC[C@@H]([NH2+]CCCN2CCC[C@H](C)C2)c2ccccc2C1 ZINC000095995510 454256297 /nfs/dbraw/zinc/25/62/97/454256297.db2.gz PRTMOXDYVKZOMO-LAUBAEHRSA-N 1 3 343.515 3.192 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000108376660 454796352 /nfs/dbraw/zinc/79/63/52/454796352.db2.gz WBMNZFWPHWZWRA-XUVXKRRUSA-N 1 3 341.499 3.235 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164964822 454892045 /nfs/dbraw/zinc/89/20/45/454892045.db2.gz VYYRENNSYRKYHC-DFEOGRTESA-N 1 3 335.561 3.451 10 0 EGAEHO CCC[NH+]1CCC(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180448105 455172034 /nfs/dbraw/zinc/17/20/34/455172034.db2.gz MUMLYWSSNOOTNQ-FQEVSTJZSA-N 1 3 344.478 3.360 10 0 EGAEHO CC[NH+]1CCC(CCNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000174111639 455360946 /nfs/dbraw/zinc/36/09/46/455360946.db2.gz PEANRPMXDJENMM-UHFFFAOYSA-N 1 3 343.515 3.134 10 0 EGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)cc1 ZINC000174252778 455374082 /nfs/dbraw/zinc/37/40/82/455374082.db2.gz YROQEBUYBJYTOO-QGZVFWFLSA-N 1 3 333.495 3.427 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000245766215 455376977 /nfs/dbraw/zinc/37/69/77/455376977.db2.gz QVIQNLLEUNITGV-ZFWWWQNUSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000245766215 455376982 /nfs/dbraw/zinc/37/69/82/455376982.db2.gz QVIQNLLEUNITGV-ZFWWWQNUSA-N 1 3 342.430 3.459 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000192845857 455705834 /nfs/dbraw/zinc/70/58/34/455705834.db2.gz ZQTBWXKQDQWBKE-INIZCTEOSA-N 1 3 349.485 3.313 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000192845857 455705838 /nfs/dbraw/zinc/70/58/38/455705838.db2.gz ZQTBWXKQDQWBKE-INIZCTEOSA-N 1 3 349.485 3.313 10 0 EGAEHO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261862515 455960385 /nfs/dbraw/zinc/96/03/85/455960385.db2.gz WZYZBPQLYIOPSA-MTFMMBMASA-N 1 3 343.515 3.045 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340473679 456480868 /nfs/dbraw/zinc/48/08/68/456480868.db2.gz KGVONBOLKIVLEA-XLIONFOSSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000340473679 456480870 /nfs/dbraw/zinc/48/08/70/456480870.db2.gz KGVONBOLKIVLEA-XLIONFOSSA-N 1 3 341.503 3.078 10 0 EGAEHO CCC(CC)CCCN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662041130 462509433 /nfs/dbraw/zinc/50/94/33/462509433.db2.gz YHXIRWRRHCTGSH-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO Clc1ccc(-c2cnc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000324521463 456669292 /nfs/dbraw/zinc/66/92/92/456669292.db2.gz WITLAPNVYFHJOR-GASCZTMLSA-N 1 3 331.847 3.426 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000353410910 456682964 /nfs/dbraw/zinc/68/29/64/456682964.db2.gz XRVMZAFIUNAHNP-AGIUHOORSA-N 1 3 329.307 3.473 10 0 EGAEHO C[C@@H]1CCC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000397554268 457487671 /nfs/dbraw/zinc/48/76/71/457487671.db2.gz JYXWIQBNSFVULD-HBFSDRIKSA-N 1 3 330.516 3.428 10 0 EGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397760789 457492636 /nfs/dbraw/zinc/49/26/36/457492636.db2.gz KYVUBGUNXPPQDE-OALUTQOASA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620816 457684195 /nfs/dbraw/zinc/68/41/95/457684195.db2.gz XWXDDAIKWAIZIM-LAUBAEHRSA-N 1 3 342.527 3.149 10 0 EGAEHO C[C@@H](N[C@@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000361887057 457930996 /nfs/dbraw/zinc/93/09/96/457930996.db2.gz BSQSZEHQSOAOKD-UTKZUKDTSA-N 1 3 342.483 3.401 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000447539473 458307633 /nfs/dbraw/zinc/30/76/33/458307633.db2.gz AMNIKKSRUVHDSA-KPACCLEDSA-N 1 3 327.516 3.254 10 0 EGAEHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423452679 458435884 /nfs/dbraw/zinc/43/58/84/458435884.db2.gz WOHMAZKTXOQINY-JYJNAYRXSA-N 1 3 338.455 3.300 10 0 EGAEHO C[C@@H]1CC2(CN1Cc1coc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424287661 458605769 /nfs/dbraw/zinc/60/57/69/458605769.db2.gz JLLKYKKPZFZITP-CQSZACIVSA-N 1 3 329.419 3.445 10 0 EGAEHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876330 458663792 /nfs/dbraw/zinc/66/37/92/458663792.db2.gz DMTRSZPIHFZAHP-CHWSQXEVSA-N 1 3 335.398 3.461 10 0 EGAEHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876330 458663800 /nfs/dbraw/zinc/66/38/00/458663800.db2.gz DMTRSZPIHFZAHP-CHWSQXEVSA-N 1 3 335.398 3.461 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216095 458719594 /nfs/dbraw/zinc/71/95/94/458719594.db2.gz MMPYLISXLKDDJN-LLVKDONJSA-N 1 3 349.381 3.064 10 0 EGAEHO CCc1nc(C(C)C)ccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240224 458728000 /nfs/dbraw/zinc/72/80/00/458728000.db2.gz BXSAFGVPCNYGBN-IBGZPJMESA-N 1 3 345.531 3.358 10 0 EGAEHO CCC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000519603684 458972953 /nfs/dbraw/zinc/97/29/53/458972953.db2.gz ULZJJZVFWRUOFB-ZIFCJYIRSA-N 1 3 331.504 3.059 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCOC(C)(C)C)CC1 ZINC000531785832 458978023 /nfs/dbraw/zinc/97/80/23/458978023.db2.gz QHZUVAFPIAVBQG-UHFFFAOYSA-N 1 3 333.520 3.123 10 0 EGAEHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000533498794 459244703 /nfs/dbraw/zinc/24/47/03/459244703.db2.gz AUZBRLKDDFZMFW-AWEZNQCLSA-N 1 3 345.487 3.321 10 0 EGAEHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN1CCCC1 ZINC000481325072 459245042 /nfs/dbraw/zinc/24/50/42/459245042.db2.gz SKUPPPFYJGWPMN-DYXWJJEUSA-N 1 3 329.532 3.219 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000560514267 459363215 /nfs/dbraw/zinc/36/32/15/459363215.db2.gz VLGDLKQTFDMQPA-VSKRKVRLSA-N 1 3 341.543 3.422 10 0 EGAEHO Cc1cc(NCC2=CC[N@H+](C)CC2)c2cc(OC(F)F)ccc2n1 ZINC000569056617 459386032 /nfs/dbraw/zinc/38/60/32/459386032.db2.gz LXLPZBHXLGIZCM-UHFFFAOYSA-N 1 3 333.382 3.240 10 0 EGAEHO Cc1cc(NCC2=CC[N@@H+](C)CC2)c2cc(OC(F)F)ccc2n1 ZINC000569056617 459386038 /nfs/dbraw/zinc/38/60/38/459386038.db2.gz LXLPZBHXLGIZCM-UHFFFAOYSA-N 1 3 333.382 3.240 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000561195341 459429515 /nfs/dbraw/zinc/42/95/15/459429515.db2.gz DLZIDNXUHLBPPX-SFHVURJKSA-N 1 3 343.515 3.021 10 0 EGAEHO C[C@@H](CC(=O)OC(C)(C)C)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592404540 459595463 /nfs/dbraw/zinc/59/54/63/459595463.db2.gz ZRLIYVBGDVBUGH-JQHSSLGASA-N 1 3 332.488 3.042 10 0 EGAEHO C[C@@H](CC(=O)OC(C)(C)C)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592404540 459595466 /nfs/dbraw/zinc/59/54/66/459595466.db2.gz ZRLIYVBGDVBUGH-JQHSSLGASA-N 1 3 332.488 3.042 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(I)cc1 ZINC000596655899 459717126 /nfs/dbraw/zinc/71/71/26/459717126.db2.gz ZIOUTIIYYSWBQQ-BXUZGUMPSA-N 1 3 346.256 3.315 10 0 EGAEHO CCOC(=O)C1([C@H](C)N[C@@H](CC)c2ccccc2F)CC[NH2+]CC1 ZINC000593318222 459839869 /nfs/dbraw/zinc/83/98/69/459839869.db2.gz BPBXWGKZVWJQHJ-YOEHRIQHSA-N 1 3 336.451 3.188 10 0 EGAEHO C(=C\C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)\CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777033 460261758 /nfs/dbraw/zinc/26/17/58/460261758.db2.gz XBRGTANPEAPRTG-YCIJERRISA-N 1 3 338.586 3.482 10 0 EGAEHO C(=C\C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)\CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777033 460261761 /nfs/dbraw/zinc/26/17/61/460261761.db2.gz XBRGTANPEAPRTG-YCIJERRISA-N 1 3 338.586 3.482 10 0 EGAEHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623341098 460498259 /nfs/dbraw/zinc/49/82/59/460498259.db2.gz NKMKYFZVZITMAU-QGZVFWFLSA-N 1 3 326.488 3.452 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cc(C)c(Br)cn2)CC1 ZINC000623403520 460530244 /nfs/dbraw/zinc/53/02/44/460530244.db2.gz ZEFHMODHRXVLBV-UHFFFAOYSA-N 1 3 340.309 3.364 10 0 EGAEHO CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629522327 460794513 /nfs/dbraw/zinc/79/45/13/460794513.db2.gz ZWCMMGDRSUYEBJ-CQSZACIVSA-N 1 3 332.366 3.134 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000629528963 460797765 /nfs/dbraw/zinc/79/77/65/460797765.db2.gz OBELQYRQRHEPJX-LLVKDONJSA-N 1 3 325.503 3.067 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)N[C@@H](CC)C2)cc1 ZINC000620904304 460822670 /nfs/dbraw/zinc/82/26/70/460822670.db2.gz LDZOQHZTSWUESZ-APWZRJJASA-N 1 3 331.504 3.131 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)N[C@@H](CC)C2)cc1 ZINC000620904304 460822675 /nfs/dbraw/zinc/82/26/75/460822675.db2.gz LDZOQHZTSWUESZ-APWZRJJASA-N 1 3 331.504 3.131 10 0 EGAEHO CCSc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629673415 460861488 /nfs/dbraw/zinc/86/14/88/460861488.db2.gz LQRLVJVLJBUPMU-GOSISDBHSA-N 1 3 334.529 3.389 10 0 EGAEHO CN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000624271925 460941897 /nfs/dbraw/zinc/94/18/97/460941897.db2.gz MSBYHFVWGWJFAC-UWHLTILDSA-N 1 3 327.516 3.113 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662196592 461108481 /nfs/dbraw/zinc/10/84/81/461108481.db2.gz NEVBWXWOQYIZPS-HXUWFJFHSA-N 1 3 329.532 3.064 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662196592 461108486 /nfs/dbraw/zinc/10/84/86/461108486.db2.gz NEVBWXWOQYIZPS-HXUWFJFHSA-N 1 3 329.532 3.064 10 0 EGAEHO CN(c1ccccc1)C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662262981 461149677 /nfs/dbraw/zinc/14/96/77/461149677.db2.gz JMVVVMSKYJLERF-UHFFFAOYSA-N 1 3 335.495 3.433 10 0 EGAEHO Cc1ccc(C)c(OCCN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360643 461155895 /nfs/dbraw/zinc/15/58/95/461155895.db2.gz NKMZXGPLVMIUIC-GGPKGHCWSA-N 1 3 332.488 3.043 10 0 EGAEHO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662284045 461164888 /nfs/dbraw/zinc/16/48/88/461164888.db2.gz WUJIRAXLZCJYFD-ROUUACIJSA-N 1 3 342.508 3.451 10 0 EGAEHO Fc1ccccc1[C@@H](Cc1ccccc1)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283821 461165978 /nfs/dbraw/zinc/16/59/78/461165978.db2.gz VOTIXGZRFOLPGX-YLJYHZDGSA-N 1 3 340.442 3.220 10 0 EGAEHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298704 461175927 /nfs/dbraw/zinc/17/59/27/461175927.db2.gz XFXBWYZUXOFCFA-HKUYNNGSSA-N 1 3 343.515 3.342 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662402027 461232193 /nfs/dbraw/zinc/23/21/93/461232193.db2.gz FGNUIARWZXWRNA-FCEWJHQRSA-N 1 3 343.515 3.094 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662402027 461232200 /nfs/dbraw/zinc/23/22/00/461232200.db2.gz FGNUIARWZXWRNA-FCEWJHQRSA-N 1 3 343.515 3.094 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)Cc1ccccc1 ZINC000668489304 461303422 /nfs/dbraw/zinc/30/34/22/461303422.db2.gz CQHRHFYCQIHPJA-XMSQKQJNSA-N 1 3 338.495 3.222 10 0 EGAEHO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](CCCN3CCCCC3)CC2)n1 ZINC000649780197 461345779 /nfs/dbraw/zinc/34/57/79/461345779.db2.gz YHWOBCGUWZISFB-FUHWJXTLSA-N 1 3 346.519 3.324 10 0 EGAEHO Cc1ncc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000666234734 461522394 /nfs/dbraw/zinc/52/23/94/461522394.db2.gz OYSBYLSWBRXEFA-OAHLLOKOSA-N 1 3 345.512 3.129 10 0 EGAEHO [NH3+]C1CCC(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)CC1 ZINC000638850402 461617255 /nfs/dbraw/zinc/61/72/55/461617255.db2.gz FQKTYYUEFARAFD-MHJFOBGBSA-N 1 3 343.515 3.065 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C[C@@H]2CCCCO2)cc1 ZINC000656402402 461732954 /nfs/dbraw/zinc/73/29/54/461732954.db2.gz FYDOOAHZTSFSQQ-ITBHCLRTSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C[C@@H]2CCCCO2)cc1 ZINC000656402402 461732959 /nfs/dbraw/zinc/73/29/59/461732959.db2.gz FYDOOAHZTSFSQQ-ITBHCLRTSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCCO2)cc1 ZINC000656402402 461732964 /nfs/dbraw/zinc/73/29/64/461732964.db2.gz FYDOOAHZTSFSQQ-ITBHCLRTSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@@H]2CCCCO2)cc1 ZINC000656402402 461732966 /nfs/dbraw/zinc/73/29/66/461732966.db2.gz FYDOOAHZTSFSQQ-ITBHCLRTSA-N 1 3 340.511 3.398 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706898 461900101 /nfs/dbraw/zinc/90/01/01/461900101.db2.gz VFCGRZNIPRYJGM-SBHAEUEKSA-N 1 3 344.499 3.194 10 0 EGAEHO c1cc(N2CCC([NH2+]CC3([C@H]4CCCCO4)CCC3)CC2)ccn1 ZINC000639389331 461907416 /nfs/dbraw/zinc/90/74/16/461907416.db2.gz KOAMRVIMAPOICG-LJQANCHMSA-N 1 3 329.488 3.379 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000650759275 461938410 /nfs/dbraw/zinc/93/84/10/461938410.db2.gz HYXAUIZKDVJEMY-MRXNPFEDSA-N 1 3 325.456 3.221 10 0 EGAEHO CC[C@@H](NCc1ccccc1C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000650758731 461938546 /nfs/dbraw/zinc/93/85/46/461938546.db2.gz WPVIAQWXOHWIKW-GOSISDBHSA-N 1 3 326.440 3.418 10 0 EGAEHO c1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)n(-c2ccncc2)n1 ZINC000657297944 462027118 /nfs/dbraw/zinc/02/71/18/462027118.db2.gz QRWFUJAXXIYWRY-UHFFFAOYSA-N 1 3 347.466 3.153 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301321 462028196 /nfs/dbraw/zinc/02/81/96/462028196.db2.gz ZUUXLRPJNWVXIJ-PZJWPPBQSA-N 1 3 345.531 3.054 10 0 EGAEHO CC[C@H]1C[C@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000657387737 462089461 /nfs/dbraw/zinc/08/94/61/462089461.db2.gz ZLPIMKGKXVFWDY-PMACEKPBSA-N 1 3 346.515 3.215 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c2sccc21 ZINC000651228248 462145713 /nfs/dbraw/zinc/14/57/13/462145713.db2.gz DOVRMVFTMDJQIR-IIDMSEBBSA-N 1 3 333.545 3.445 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000658053496 462359230 /nfs/dbraw/zinc/35/92/30/462359230.db2.gz BJSZOWCNVKCAAU-FUHWJXTLSA-N 1 3 333.520 3.150 10 0 EGAEHO Cc1ccncc1CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000658127110 462396226 /nfs/dbraw/zinc/39/62/26/462396226.db2.gz RJDLEEIFXSCXDI-QGZVFWFLSA-N 1 3 327.472 3.224 10 0 EGAEHO CCC[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658136260 462400094 /nfs/dbraw/zinc/40/00/94/462400094.db2.gz GJQRLBPKLDCMHH-SFTDATJTSA-N 1 3 339.483 3.279 10 0 EGAEHO CCC[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658136260 462400098 /nfs/dbraw/zinc/40/00/98/462400098.db2.gz GJQRLBPKLDCMHH-SFTDATJTSA-N 1 3 339.483 3.279 10 0 EGAEHO CCC[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658136257 462400471 /nfs/dbraw/zinc/40/04/71/462400471.db2.gz GJQRLBPKLDCMHH-RTWAWAEBSA-N 1 3 339.483 3.279 10 0 EGAEHO CCC[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658136257 462400478 /nfs/dbraw/zinc/40/04/78/462400478.db2.gz GJQRLBPKLDCMHH-RTWAWAEBSA-N 1 3 339.483 3.279 10 0 EGAEHO C[C@H](COCC1CC1)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000651984271 462401529 /nfs/dbraw/zinc/40/15/29/462401529.db2.gz YOSGCOUHIMIWRY-QZTJIDSGSA-N 1 3 330.516 3.487 10 0 EGAEHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138828 462402843 /nfs/dbraw/zinc/40/28/43/462402843.db2.gz OLDAUFSODCDRRD-UZLBHIALSA-N 1 3 342.458 3.113 10 0 EGAEHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138823 462403051 /nfs/dbraw/zinc/40/30/51/462403051.db2.gz OLDAUFSODCDRRD-OXJNMPFZSA-N 1 3 342.458 3.113 10 0 EGAEHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140267 462403998 /nfs/dbraw/zinc/40/39/98/462403998.db2.gz PGWDVDDTDNJCCZ-IFMALSPDSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140267 462404002 /nfs/dbraw/zinc/40/40/02/462404002.db2.gz PGWDVDDTDNJCCZ-IFMALSPDSA-N 1 3 336.479 3.339 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCc4occc43)cc2)C1 ZINC000658141955 462405779 /nfs/dbraw/zinc/40/57/79/462405779.db2.gz YEMQRNNFXBVGSB-PKOBYXMFSA-N 1 3 326.440 3.013 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCc4occc43)cc2)C1 ZINC000658141955 462405785 /nfs/dbraw/zinc/40/57/85/462405785.db2.gz YEMQRNNFXBVGSB-PKOBYXMFSA-N 1 3 326.440 3.013 10 0 EGAEHO CN1CCN(CC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1(C)C ZINC000652196274 462468464 /nfs/dbraw/zinc/46/84/64/462468464.db2.gz NHDUUXZAXAJONL-FQEVSTJZSA-N 1 3 344.547 3.319 10 0 EGAEHO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000652246185 462488281 /nfs/dbraw/zinc/48/82/81/462488281.db2.gz MSTCUVGFOQYGIQ-IIBYNOLFSA-N 1 3 346.515 3.483 10 0 EGAEHO C[C@H](O)[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360283 462490019 /nfs/dbraw/zinc/49/00/19/462490019.db2.gz HSHBVRAEIVAFBV-FIKGOQFSSA-N 1 3 342.483 3.400 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cncc(Br)c2)CC1 ZINC000183721106 528968461 /nfs/dbraw/zinc/96/84/61/528968461.db2.gz GWUJAFQNNIAIRD-UHFFFAOYSA-N 1 3 326.282 3.056 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000676045865 549026972 /nfs/dbraw/zinc/02/69/72/549026972.db2.gz ZGQJRBWFUATTMO-GOSISDBHSA-N 1 3 332.488 3.208 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000678994668 549612710 /nfs/dbraw/zinc/61/27/10/549612710.db2.gz RNRPXWWNSWPWPH-QGZVFWFLSA-N 1 3 337.458 3.496 10 0 EGAEHO CC(C)CN1CCC([NH2+]CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000397845541 1297704665 /nfs/dbraw/zinc/70/46/65/1297704665.db2.gz ICZHSFKIRNNKBE-UHFFFAOYSA-N 1 3 341.540 3.391 10 0 EGAEHO c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1 ZINC000380927633 1297547237 /nfs/dbraw/zinc/54/72/37/1297547237.db2.gz DEPIGJROEQPGTA-XZOQPEGZSA-N 1 3 349.522 3.373 10 0 EGAEHO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894454775 1308897227 /nfs/dbraw/zinc/89/72/27/1308897227.db2.gz XRTPBFSOEHCIGJ-QVHQYWGISA-N 1 3 344.499 3.217 10 0 EGAEHO CC1CC[NH+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)CC1 ZINC000921540744 1322345255 /nfs/dbraw/zinc/34/52/55/1322345255.db2.gz UHYXAJFLTWRKBO-UHFFFAOYSA-N 1 3 325.456 3.309 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C[C@H](C)O1 ZINC000921758319 1322394117 /nfs/dbraw/zinc/39/41/17/1322394117.db2.gz DBACLKZCNWOESO-CALCHBBNSA-N 1 3 348.535 3.057 10 0 EGAEHO CSCc1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000921943014 1322426872 /nfs/dbraw/zinc/42/68/72/1322426872.db2.gz YMTVJBRZBLRSFT-UHFFFAOYSA-N 1 3 345.512 3.175 10 0 EGAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cc3ccccc3nc1Cl)CC2 ZINC000923456024 1322754837 /nfs/dbraw/zinc/75/48/37/1322754837.db2.gz NSFLUXQPRQBYLC-MRXNPFEDSA-N 1 3 345.874 3.218 10 0 EGAEHO COc1cc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc2ccccc21 ZINC000924757595 1323148458 /nfs/dbraw/zinc/14/84/58/1323148458.db2.gz VCRUEOLPFCAXBR-MRXNPFEDSA-N 1 3 342.483 3.346 10 0 EGAEHO C[C@H](c1ccc(CN2CCC(O)(C[NH+](C)C)CC2)cc1)C(F)(F)F ZINC000931481585 1329128165 /nfs/dbraw/zinc/12/81/65/1329128165.db2.gz UGAAGXMDXZAPSD-CQSZACIVSA-N 1 3 344.421 3.241 10 0 EGAEHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)n1 ZINC000925439059 1325150314 /nfs/dbraw/zinc/15/03/14/1325150314.db2.gz HSZCADMPRIBLIW-BBWFWOEESA-N 1 3 335.492 3.020 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccnn1C1CCC1 ZINC000925438747 1325150333 /nfs/dbraw/zinc/15/03/33/1325150333.db2.gz DOYSGNNFJITENG-BRWVUGGUSA-N 1 3 334.508 3.148 10 0 EGAEHO CC1(C)[C@H](NC[C@@H](c2cccs2)N2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492736 1325174904 /nfs/dbraw/zinc/17/49/04/1325174904.db2.gz ICOLWZBBMSWLRA-MXSMSXNCSA-N 1 3 333.545 3.251 10 0 EGAEHO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)c1ccccc1 ZINC000925551994 1325204593 /nfs/dbraw/zinc/20/45/93/1325204593.db2.gz DSFPYAGRMMSCQV-LLUDDFSJSA-N 1 3 330.516 3.299 10 0 EGAEHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925557569 1325208223 /nfs/dbraw/zinc/20/82/23/1325208223.db2.gz POZQKJKWNPWCBH-HBMCJLEFSA-N 1 3 343.515 3.280 10 0 EGAEHO C[C@](O)(CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639186 1325242245 /nfs/dbraw/zinc/24/22/45/1325242245.db2.gz KDGMJJUITSFPNC-OTWHNJEPSA-N 1 3 336.907 3.305 10 0 EGAEHO FC(F)(F)c1ccnc(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925678734 1325259492 /nfs/dbraw/zinc/25/94/92/1325259492.db2.gz WZMVJVQGDCFMOX-SJORKVTESA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1ccnc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925678734 1325259500 /nfs/dbraw/zinc/25/95/00/1325259500.db2.gz WZMVJVQGDCFMOX-SJORKVTESA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1ccnc(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925678732 1325259771 /nfs/dbraw/zinc/25/97/71/1325259771.db2.gz WZMVJVQGDCFMOX-IAGOWNOFSA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925678732 1325259778 /nfs/dbraw/zinc/25/97/78/1325259778.db2.gz WZMVJVQGDCFMOX-IAGOWNOFSA-N 1 3 341.421 3.401 10 0 EGAEHO c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCNC[C@H]3C3CCCC3)CCO2)nc1 ZINC000925690311 1325261960 /nfs/dbraw/zinc/26/19/60/1325261960.db2.gz UTUNCBYWESPEQA-AJYBTWMASA-N 1 3 329.488 3.060 10 0 EGAEHO OC[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728724 1325271561 /nfs/dbraw/zinc/27/15/61/1325271561.db2.gz HBKUSOTWXUWZDU-YTQUADARSA-N 1 3 336.907 3.174 10 0 EGAEHO OC[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728724 1325271569 /nfs/dbraw/zinc/27/15/69/1325271569.db2.gz HBKUSOTWXUWZDU-YTQUADARSA-N 1 3 336.907 3.174 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000925728224 1325271998 /nfs/dbraw/zinc/27/19/98/1325271998.db2.gz JYJVAHQIVSLANC-XLAORIBOSA-N 1 3 330.472 3.004 10 0 EGAEHO O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730156 1325272937 /nfs/dbraw/zinc/27/29/37/1325272937.db2.gz OAACLHQJERWJTQ-IPMKNSEASA-N 1 3 336.907 3.001 10 0 EGAEHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)CCCS2 ZINC000925775868 1325294530 /nfs/dbraw/zinc/29/45/30/1325294530.db2.gz HVQWYSZLFSRCHS-SWLSCSKDSA-N 1 3 342.455 3.457 10 0 EGAEHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)CCS2 ZINC000925776276 1325294669 /nfs/dbraw/zinc/29/46/69/1325294669.db2.gz KRBGNMXBCWJXAW-RISCZKNCSA-N 1 3 328.428 3.067 10 0 EGAEHO COCCC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925775311 1325295362 /nfs/dbraw/zinc/29/53/62/1325295362.db2.gz FNNPWZFGWFHHKU-GOEBONIOSA-N 1 3 330.394 3.128 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925779711 1325298563 /nfs/dbraw/zinc/29/85/63/1325298563.db2.gz OUYBIXVLCKPDPP-CMPLNLGQSA-N 1 3 338.320 3.481 10 0 EGAEHO Cc1ccccc1C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925790103 1325302380 /nfs/dbraw/zinc/30/23/80/1325302380.db2.gz DEYXBRNCHWUOLL-WOJBJXKFSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1cc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)c(C)o1 ZINC000925807608 1325310302 /nfs/dbraw/zinc/31/03/02/1325310302.db2.gz FXVJRNGXLWRECA-MRXNPFEDSA-N 1 3 327.472 3.152 10 0 EGAEHO COc1ccsc1[C@@H](C)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816233 1325314254 /nfs/dbraw/zinc/31/42/54/1325314254.db2.gz HAAXMASNIXYVHI-OAHLLOKOSA-N 1 3 345.512 3.013 10 0 EGAEHO Cc1c2ccccc2oc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857874 1325333199 /nfs/dbraw/zinc/33/31/99/1325333199.db2.gz WZLPMEVIMAGGIE-GJZGRUSLSA-N 1 3 342.439 3.077 10 0 EGAEHO C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc([O-])cc(F)c1 ZINC000926691506 1327669328 /nfs/dbraw/zinc/66/93/28/1327669328.db2.gz BRFHCGMYYKBWRB-HNNXBMFYSA-N 1 3 343.446 3.489 10 0 EGAEHO c1ccc([C@@H]2C[C@@H](NCCOC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000927076668 1327846329 /nfs/dbraw/zinc/84/63/29/1327846329.db2.gz LOPPBORUGAXPKL-RXVVDRJESA-N 1 3 344.499 3.140 10 0 EGAEHO c1ccc([C@@H]2C[C@@H](NCCOC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000927076668 1327846336 /nfs/dbraw/zinc/84/63/36/1327846336.db2.gz LOPPBORUGAXPKL-RXVVDRJESA-N 1 3 344.499 3.140 10 0 EGAEHO Cn1cc(CNCCC2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000865718022 1329732205 /nfs/dbraw/zinc/73/22/05/1329732205.db2.gz RXPXEMDBUPYMKH-UHFFFAOYSA-N 1 3 346.906 3.465 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)ccn1 ZINC000866388132 1330105321 /nfs/dbraw/zinc/10/53/21/1330105321.db2.gz BVBUJKFUWFTUCA-RTWAWAEBSA-N 1 3 343.515 3.231 10 0 EGAEHO CC[NH+](CC)CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001195146451 1368388260 /nfs/dbraw/zinc/38/82/60/1368388260.db2.gz DVSULIISEKEJSY-OAHLLOKOSA-N 1 3 327.513 3.096 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001326566083 1388241413 /nfs/dbraw/zinc/24/14/13/1388241413.db2.gz FGMFIZRQZFMDKJ-NCXUSEDFSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001327173183 1388422216 /nfs/dbraw/zinc/42/22/16/1388422216.db2.gz OAEFGLGLZPBZIR-APWZRJJASA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001327173183 1388422220 /nfs/dbraw/zinc/42/22/20/1388422220.db2.gz OAEFGLGLZPBZIR-APWZRJJASA-N 1 3 349.494 3.198 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707989 1377162942 /nfs/dbraw/zinc/16/29/42/1377162942.db2.gz IEFNDHQLXVKDAJ-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707989 1377162943 /nfs/dbraw/zinc/16/29/43/1377162943.db2.gz IEFNDHQLXVKDAJ-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001265708136 1377163074 /nfs/dbraw/zinc/16/30/74/1377163074.db2.gz KCQKUYQHPJXHMI-LLHDCHNASA-N 1 3 346.519 3.224 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001265708136 1377163077 /nfs/dbraw/zinc/16/30/77/1377163077.db2.gz KCQKUYQHPJXHMI-LLHDCHNASA-N 1 3 346.519 3.224 10 0 EGAEHO C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001266159431 1377211128 /nfs/dbraw/zinc/21/11/28/1377211128.db2.gz PWMSTADGYUMHHA-ROUUACIJSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@@H](c1ccccc1)[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001266159431 1377211129 /nfs/dbraw/zinc/21/11/29/1377211129.db2.gz PWMSTADGYUMHHA-ROUUACIJSA-N 1 3 343.515 3.060 10 0 EGAEHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246028 1377244510 /nfs/dbraw/zinc/24/45/10/1377244510.db2.gz JQELLUBXVLEERB-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001266247624 1377245135 /nfs/dbraw/zinc/24/51/35/1377245135.db2.gz QJZYQTOWLIGRFF-RBUKOAKNSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001266247624 1377245137 /nfs/dbraw/zinc/24/51/37/1377245137.db2.gz QJZYQTOWLIGRFF-RBUKOAKNSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001269178050 1377541712 /nfs/dbraw/zinc/54/17/12/1377541712.db2.gz XLOARSGYBBQLBW-OBNUAKFSSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001269178050 1377541716 /nfs/dbraw/zinc/54/17/16/1377541716.db2.gz XLOARSGYBBQLBW-OBNUAKFSSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271591443 1377642407 /nfs/dbraw/zinc/64/24/07/1377642407.db2.gz KUJCQLOMFVQCBQ-IEBWSBKVSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](CCC3CCCCC3)CC2)CCC1 ZINC001279574717 1378312692 /nfs/dbraw/zinc/31/26/92/1378312692.db2.gz VPHVMWCTHOOOKX-UHFFFAOYSA-N 1 3 347.547 3.189 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CCC3CCCCC3)CC2)CCC1 ZINC001279574717 1378312695 /nfs/dbraw/zinc/31/26/95/1378312695.db2.gz VPHVMWCTHOOOKX-UHFFFAOYSA-N 1 3 347.547 3.189 10 0 EGAEHO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001327529485 1388550878 /nfs/dbraw/zinc/55/08/78/1388550878.db2.gz IGVCQDKCAYVHMJ-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001327529485 1388550879 /nfs/dbraw/zinc/55/08/79/1388550879.db2.gz IGVCQDKCAYVHMJ-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)cc1 ZINC001282167579 1378482878 /nfs/dbraw/zinc/48/28/78/1378482878.db2.gz MHNXBWSBZPLWAO-IAGOWNOFSA-N 1 3 345.531 3.106 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)N(C)C ZINC001282677961 1378549349 /nfs/dbraw/zinc/54/93/49/1378549349.db2.gz LBCCMLHADFDDDK-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1)N(C)C ZINC001282677961 1378549353 /nfs/dbraw/zinc/54/93/53/1378549353.db2.gz LBCCMLHADFDDDK-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001282741446 1378592827 /nfs/dbraw/zinc/59/28/27/1378592827.db2.gz SKIFCKOMHVXFFW-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001283187331 1378756338 /nfs/dbraw/zinc/75/63/38/1378756338.db2.gz TXSDBDWLBOMPCI-VQIMIIECSA-N 1 3 343.515 3.033 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001283240598 1378769268 /nfs/dbraw/zinc/76/92/68/1378769268.db2.gz VOKAIXMLJRXQMP-LPHOPBHVSA-N 1 3 345.531 3.020 10 0 EGAEHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CCC2=CCCCC2)C2CC2)CCC1 ZINC001283508224 1378993177 /nfs/dbraw/zinc/99/31/77/1378993177.db2.gz FSMCRBKMWMNFQF-IBGZPJMESA-N 1 3 347.547 3.188 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001284034743 1379384926 /nfs/dbraw/zinc/38/49/26/1379384926.db2.gz VBZSMFOEHSVGSF-UEALOQRBSA-N 1 3 343.515 3.297 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001284652083 1380066594 /nfs/dbraw/zinc/06/65/94/1380066594.db2.gz FUPZRLDPXKMZMB-IBGZPJMESA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001290954639 1382117074 /nfs/dbraw/zinc/11/70/74/1382117074.db2.gz QLAVHSZYKIJNGI-HOTGVXAUSA-N 1 3 342.487 3.284 10 0 EGAEHO C[C@@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC001290954639 1382117080 /nfs/dbraw/zinc/11/70/80/1382117080.db2.gz QLAVHSZYKIJNGI-HOTGVXAUSA-N 1 3 342.487 3.284 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC001328674101 1388803788 /nfs/dbraw/zinc/80/37/88/1388803788.db2.gz MRXNTSKCMBXVEH-ACBHZAAOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001328859286 1388889210 /nfs/dbraw/zinc/88/92/10/1388889210.db2.gz ODEGPNRKQZJIIY-MHJFOBGBSA-N 1 3 347.547 3.234 10 0 EGAEHO OC[C@@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001307804223 1384035412 /nfs/dbraw/zinc/03/54/12/1384035412.db2.gz HTBYJVFFEIGVHU-JOCHJYFZSA-N 1 3 344.543 3.426 10 0 EGAEHO C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001316874756 1384660061 /nfs/dbraw/zinc/66/00/61/1384660061.db2.gz CWAYKRQYBWFHCN-DOTOQJQBSA-N 1 3 334.508 3.138 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001316904761 1384684254 /nfs/dbraw/zinc/68/42/54/1384684254.db2.gz YZNXMGFHEPYSSU-MJGOQNOKSA-N 1 3 345.531 3.226 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001316904761 1384684257 /nfs/dbraw/zinc/68/42/57/1384684257.db2.gz YZNXMGFHEPYSSU-MJGOQNOKSA-N 1 3 345.531 3.226 10 0 EGAEHO CCc1ccccc1C[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001316937467 1384708923 /nfs/dbraw/zinc/70/89/23/1384708923.db2.gz OIGDRFQVMPRADT-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001317024320 1384790416 /nfs/dbraw/zinc/79/04/16/1384790416.db2.gz JDMWRDIHFQUOSX-YLJYHZDGSA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041526 1384815231 /nfs/dbraw/zinc/81/52/31/1384815231.db2.gz CMSZJCABLRUVCH-VANUVFSVSA-N 1 3 337.552 3.099 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041526 1384815233 /nfs/dbraw/zinc/81/52/33/1384815233.db2.gz CMSZJCABLRUVCH-VANUVFSVSA-N 1 3 337.552 3.099 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001317165654 1384929327 /nfs/dbraw/zinc/92/93/27/1384929327.db2.gz IXDMVOHOKDKAPC-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001317169282 1384934374 /nfs/dbraw/zinc/93/43/74/1384934374.db2.gz YJMXAKCCHPISDC-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001317220820 1385000759 /nfs/dbraw/zinc/00/07/59/1385000759.db2.gz LGDCHKKJPGXQJD-ACBHZAAOSA-N 1 3 349.563 3.170 10 0 EGAEHO CCCC[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001317221324 1385002267 /nfs/dbraw/zinc/00/22/67/1385002267.db2.gz FUCITJCRZLQGEH-UHFFFAOYSA-N 1 3 331.504 3.179 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241630 1385014476 /nfs/dbraw/zinc/01/44/76/1385014476.db2.gz MOFBZRNFLYTQOL-OXJNMPFZSA-N 1 3 343.515 3.031 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246625 1385019611 /nfs/dbraw/zinc/01/96/11/1385019611.db2.gz VXAJBNGHFWORDG-AZUAARDMSA-N 1 3 345.531 3.081 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317445957 1385146287 /nfs/dbraw/zinc/14/62/87/1385146287.db2.gz OWTIOTNHTZBHMN-IPMKNSEASA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001317445957 1385146289 /nfs/dbraw/zinc/14/62/89/1385146289.db2.gz OWTIOTNHTZBHMN-IPMKNSEASA-N 1 3 349.494 3.055 10 0 EGAEHO CN(CC(=O)N(C)CC[NH2+]Cc1ccc(C2CC2)cc1)CC(C)(C)C ZINC001317625069 1385359044 /nfs/dbraw/zinc/35/90/44/1385359044.db2.gz BCBFLOBECGWKDW-UHFFFAOYSA-N 1 3 345.531 3.090 10 0 EGAEHO CCCN(C(=O)[C@@H](C)N1CCCCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766806 1385456316 /nfs/dbraw/zinc/45/63/16/1385456316.db2.gz ISHJBRSQVYYPRW-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C(=O)[C@@H](C)N1CCCCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317766806 1385456320 /nfs/dbraw/zinc/45/63/20/1385456320.db2.gz ISHJBRSQVYYPRW-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484368 1385717067 /nfs/dbraw/zinc/71/70/67/1385717067.db2.gz YDCSEBDKBYYRAU-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001318484368 1385717070 /nfs/dbraw/zinc/71/70/70/1385717070.db2.gz YDCSEBDKBYYRAU-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001318524356 1385733772 /nfs/dbraw/zinc/73/37/72/1385733772.db2.gz LTSNPLCVSULWRY-IHEKOVBBSA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686710 1385839896 /nfs/dbraw/zinc/83/98/96/1385839896.db2.gz REQATFQTIRVXKC-CTNGQTDRSA-N 1 3 347.547 3.234 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001318978872 1385907112 /nfs/dbraw/zinc/90/71/12/1385907112.db2.gz LGDCHKKJPGXQJD-FHWLQOOXSA-N 1 3 349.563 3.170 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001319031177 1385935905 /nfs/dbraw/zinc/93/59/05/1385935905.db2.gz CGYOHGBKVDKBRT-GOSISDBHSA-N 1 3 347.547 3.047 10 0 EGAEHO CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCCCN1CC ZINC001320928100 1386761356 /nfs/dbraw/zinc/76/13/56/1386761356.db2.gz GDGVCVZMXBPORL-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001320929235 1386761831 /nfs/dbraw/zinc/76/18/31/1386761831.db2.gz RBDZILJDMAISCQ-XEDBTPMOSA-N 1 3 343.515 3.012 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)N(C)C ZINC001321896926 1387005881 /nfs/dbraw/zinc/00/58/81/1387005881.db2.gz KXFXHIUJXAGVGU-TXPKVOOTSA-N 1 3 333.520 3.306 10 0 EGAEHO C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001322158537 1387080975 /nfs/dbraw/zinc/08/09/75/1387080975.db2.gz TYGXRWXSSQOOOI-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001322158537 1387080978 /nfs/dbraw/zinc/08/09/78/1387080978.db2.gz TYGXRWXSSQOOOI-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001322694315 1387226686 /nfs/dbraw/zinc/22/66/86/1387226686.db2.gz PICKDEIEBJVQBS-GOSISDBHSA-N 1 3 347.547 3.472 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001698719187 1406363987 /nfs/dbraw/zinc/36/39/87/1406363987.db2.gz INHURDFWOOWTIS-IRXDYDNUSA-N 1 3 343.515 3.065 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001331576251 1389809343 /nfs/dbraw/zinc/80/93/43/1389809343.db2.gz NQJAIYGWCNZJFS-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001332052190 1389960644 /nfs/dbraw/zinc/96/06/44/1389960644.db2.gz XDBFXYKBERJIDS-YLJYHZDGSA-N 1 3 345.531 3.231 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC001332993488 1390232280 /nfs/dbraw/zinc/23/22/80/1390232280.db2.gz WQDRFMFFDQCILM-QFBILLFUSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001333407300 1390298107 /nfs/dbraw/zinc/29/81/07/1390298107.db2.gz VMYMLKIZVIGQDK-UHFFFAOYSA-N 1 3 337.552 3.149 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001333407300 1390298110 /nfs/dbraw/zinc/29/81/10/1390298110.db2.gz VMYMLKIZVIGQDK-UHFFFAOYSA-N 1 3 337.552 3.149 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC001486441724 1391008379 /nfs/dbraw/zinc/00/83/79/1391008379.db2.gz WQDRFMFFDQCILM-VQIMIIECSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001479578160 1392279564 /nfs/dbraw/zinc/27/95/64/1392279564.db2.gz GHHJDBABXSFSFS-MJGOQNOKSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1Cc1ccc(C)cc1 ZINC001479645106 1392304305 /nfs/dbraw/zinc/30/43/05/1392304305.db2.gz JFRBVTNZAUJZOO-XUVXKRRUSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1Cc1ccc(C)cc1 ZINC001479645106 1392304306 /nfs/dbraw/zinc/30/43/06/1392304306.db2.gz JFRBVTNZAUJZOO-XUVXKRRUSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001479797166 1392395451 /nfs/dbraw/zinc/39/54/51/1392395451.db2.gz VDNCXTGWTGJDLJ-MJGOQNOKSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001479797166 1392395454 /nfs/dbraw/zinc/39/54/54/1392395454.db2.gz VDNCXTGWTGJDLJ-MJGOQNOKSA-N 1 3 333.520 3.143 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)Cc1ccc(C)cc1 ZINC001479861562 1392439841 /nfs/dbraw/zinc/43/98/41/1392439841.db2.gz WLDGMLALWAOBRV-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC001479861562 1392439844 /nfs/dbraw/zinc/43/98/44/1392439844.db2.gz WLDGMLALWAOBRV-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CCCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001479993940 1392525178 /nfs/dbraw/zinc/52/51/78/1392525178.db2.gz WQDSQEUNMZUVGM-UHFFFAOYSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001480306674 1392668925 /nfs/dbraw/zinc/66/89/25/1392668925.db2.gz LXMDDTQCNDBPJS-OALUTQOASA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328233 1392687981 /nfs/dbraw/zinc/68/79/81/1392687981.db2.gz PGWFSBRMJOGJBR-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328233 1392687982 /nfs/dbraw/zinc/68/79/82/1392687982.db2.gz PGWFSBRMJOGJBR-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001480367734 1392710562 /nfs/dbraw/zinc/71/05/62/1392710562.db2.gz LVLMFDMJVZYLGS-OALUTQOASA-N 1 3 349.494 3.081 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001480458641 1392759482 /nfs/dbraw/zinc/75/94/82/1392759482.db2.gz FMZBLAFPNGMCFA-AZUAARDMSA-N 1 3 345.531 3.079 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001480458643 1392759493 /nfs/dbraw/zinc/75/94/93/1392759493.db2.gz FMZBLAFPNGMCFA-QUCCMNQESA-N 1 3 345.531 3.079 10 0 EGAEHO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001480697435 1392861113 /nfs/dbraw/zinc/86/11/13/1392861113.db2.gz FHPPZDBMTJCPFM-RBUKOAKNSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1)N1CCCC1 ZINC001481053978 1393107825 /nfs/dbraw/zinc/10/78/25/1393107825.db2.gz WJGVDSIPHRRDGU-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1)N1CCCC1 ZINC001481053978 1393107826 /nfs/dbraw/zinc/10/78/26/1393107826.db2.gz WJGVDSIPHRRDGU-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058778 1393109088 /nfs/dbraw/zinc/10/90/88/1393109088.db2.gz ZPDAITLJBZWJFM-RBUKOAKNSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058778 1393109089 /nfs/dbraw/zinc/10/90/89/1393109089.db2.gz ZPDAITLJBZWJFM-RBUKOAKNSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698928855 1406665074 /nfs/dbraw/zinc/66/50/74/1406665074.db2.gz MXDMWPSWWQSJHH-YMHTTXFNSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462143 1394319044 /nfs/dbraw/zinc/31/90/44/1394319044.db2.gz PZCVQZPIAMRPAL-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462143 1394319048 /nfs/dbraw/zinc/31/90/48/1394319048.db2.gz PZCVQZPIAMRPAL-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001490805517 1394351433 /nfs/dbraw/zinc/35/14/33/1394351433.db2.gz RQBVCACHKFMOKO-KDURUIRLSA-N 1 3 335.536 3.118 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482027690 1394686639 /nfs/dbraw/zinc/68/66/39/1394686639.db2.gz LPLADSRYSPTTIM-WDSOQIARSA-N 1 3 331.504 3.105 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001482455671 1395014741 /nfs/dbraw/zinc/01/47/41/1395014741.db2.gz ILOZRJRBAPSKJL-UXHICEINSA-N 1 3 345.531 3.196 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001482457912 1395016480 /nfs/dbraw/zinc/01/64/80/1395016480.db2.gz YUWYRLGXLOYIFI-LJQANCHMSA-N 1 3 344.503 3.204 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCCC2CCCC2)CCC1 ZINC001483933185 1395150735 /nfs/dbraw/zinc/15/07/35/1395150735.db2.gz FPOGIJBGMXOUHX-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057941 1395220811 /nfs/dbraw/zinc/22/08/11/1395220811.db2.gz MWURTMWGMTUIGB-TZIWHRDSSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057941 1395220814 /nfs/dbraw/zinc/22/08/14/1395220814.db2.gz MWURTMWGMTUIGB-TZIWHRDSSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057941 1395220819 /nfs/dbraw/zinc/22/08/19/1395220819.db2.gz MWURTMWGMTUIGB-TZIWHRDSSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC001484161681 1395295599 /nfs/dbraw/zinc/29/55/99/1395295599.db2.gz SXWUHPUXBQPDDS-PZJWPPBQSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCC2)C1 ZINC001484161681 1395295600 /nfs/dbraw/zinc/29/56/00/1395295600.db2.gz SXWUHPUXBQPDDS-PZJWPPBQSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484721590 1395484922 /nfs/dbraw/zinc/48/49/22/1395484922.db2.gz KQIZXCYCMQJVLW-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484721590 1395484929 /nfs/dbraw/zinc/48/49/29/1395484929.db2.gz KQIZXCYCMQJVLW-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082152 1395652303 /nfs/dbraw/zinc/65/23/03/1395652303.db2.gz MLXGTZPQNHOEIZ-HEVSSNLLSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082152 1395652305 /nfs/dbraw/zinc/65/23/05/1395652305.db2.gz MLXGTZPQNHOEIZ-HEVSSNLLSA-N 1 3 349.563 3.245 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001485179720 1395688843 /nfs/dbraw/zinc/68/88/43/1395688843.db2.gz JANXRDBUDCWCBV-ROUUACIJSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001485229232 1395722999 /nfs/dbraw/zinc/72/29/99/1395722999.db2.gz HQGLMVDFHAZKOZ-IRXDYDNUSA-N 1 3 333.520 3.133 10 0 EGAEHO CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001485260547 1395746946 /nfs/dbraw/zinc/74/69/46/1395746946.db2.gz RWFMSVCXARZRRK-IRXDYDNUSA-N 1 3 343.531 3.072 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC001485310043 1395787840 /nfs/dbraw/zinc/78/78/40/1395787840.db2.gz OHHNAGHBCGRYIK-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001485310043 1395787842 /nfs/dbraw/zinc/78/78/42/1395787842.db2.gz OHHNAGHBCGRYIK-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378376 1395859754 /nfs/dbraw/zinc/85/97/54/1395859754.db2.gz VMHSFMGNZOBHQR-VQIMIIECSA-N 1 3 333.520 3.087 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378376 1395859761 /nfs/dbraw/zinc/85/97/61/1395859761.db2.gz VMHSFMGNZOBHQR-VQIMIIECSA-N 1 3 333.520 3.087 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483442 1395969765 /nfs/dbraw/zinc/96/97/65/1395969765.db2.gz WFZKYOFGHZDLKS-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483442 1395969767 /nfs/dbraw/zinc/96/97/67/1395969767.db2.gz WFZKYOFGHZDLKS-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001485960298 1396173986 /nfs/dbraw/zinc/17/39/86/1396173986.db2.gz CZZMQSLONYEFGB-QGZVFWFLSA-N 1 3 341.499 3.117 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001486235238 1396185954 /nfs/dbraw/zinc/18/59/54/1396185954.db2.gz UXNMNKUSFYMKHA-LSSLULSBSA-N 1 3 337.552 3.146 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486238210 1396186806 /nfs/dbraw/zinc/18/68/06/1396186806.db2.gz NGSPQTHSVRWSBB-ZPUOCTKUSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cc(C)ccc1C ZINC001492966131 1396330081 /nfs/dbraw/zinc/33/00/81/1396330081.db2.gz QSICRMHYMXDTKS-GOSISDBHSA-N 1 3 345.531 3.287 10 0 EGAEHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cc(C)ccc1C ZINC001492966131 1396330082 /nfs/dbraw/zinc/33/00/82/1396330082.db2.gz QSICRMHYMXDTKS-GOSISDBHSA-N 1 3 345.531 3.287 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140075 1396338242 /nfs/dbraw/zinc/33/82/42/1396338242.db2.gz NFFKEAJOUYTCPA-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140075 1396338243 /nfs/dbraw/zinc/33/82/43/1396338243.db2.gz NFFKEAJOUYTCPA-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@H]1CCc2ccccc21 ZINC001493297332 1396339274 /nfs/dbraw/zinc/33/92/74/1396339274.db2.gz RTVDRRPVFISXAX-PMACEKPBSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@H]1CCc2ccccc21 ZINC001493297332 1396339275 /nfs/dbraw/zinc/33/92/75/1396339275.db2.gz RTVDRRPVFISXAX-PMACEKPBSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001497726863 1396803195 /nfs/dbraw/zinc/80/31/95/1396803195.db2.gz JWUBLSKTCKVXKM-SGQUHAKNSA-N 1 3 345.531 3.086 10 0 EGAEHO Cc1ncc(C[NH2+]C/C=C\CNC(=O)C2CC3CCC2CC3)s1 ZINC001497766913 1396838074 /nfs/dbraw/zinc/83/80/74/1396838074.db2.gz RLLYPOGZFLHCJL-VQOXSYOESA-N 1 3 333.501 3.040 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001689271088 1397005186 /nfs/dbraw/zinc/00/51/86/1397005186.db2.gz BWROZOIPVFROST-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001689352597 1403682217 /nfs/dbraw/zinc/68/22/17/1403682217.db2.gz JTJXSYGDCSFFAT-SFHVURJKSA-N 1 3 339.568 3.467 10 0 EGAEHO CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001689352597 1403682225 /nfs/dbraw/zinc/68/22/25/1403682225.db2.gz JTJXSYGDCSFFAT-SFHVURJKSA-N 1 3 339.568 3.467 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001689891201 1404187807 /nfs/dbraw/zinc/18/78/07/1404187807.db2.gz SQNBVYYWPLNFNB-DRHVUCGNSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001689891201 1404187808 /nfs/dbraw/zinc/18/78/08/1404187808.db2.gz SQNBVYYWPLNFNB-DRHVUCGNSA-N 1 3 343.515 3.012 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689909217 1404201824 /nfs/dbraw/zinc/20/18/24/1404201824.db2.gz MHJJVVFBAULIEB-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001690027339 1404265616 /nfs/dbraw/zinc/26/56/16/1404265616.db2.gz IREDNVOFDVLHGE-HJWRWDBZSA-N 1 3 337.552 3.243 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690436738 1404559104 /nfs/dbraw/zinc/55/91/04/1404559104.db2.gz PGHJCCZIKDXBTA-XOUUWWQPSA-N 1 3 349.563 3.435 10 0 EGAEHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001690628384 1404663203 /nfs/dbraw/zinc/66/32/03/1404663203.db2.gz LUOOJAQCFPSLLY-XLIONFOSSA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097447 1405034822 /nfs/dbraw/zinc/03/48/22/1405034822.db2.gz LUJRSJBNKUJAJK-RBUKOAKNSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097447 1405034827 /nfs/dbraw/zinc/03/48/27/1405034827.db2.gz LUJRSJBNKUJAJK-RBUKOAKNSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001691664959 1405396920 /nfs/dbraw/zinc/39/69/20/1405396920.db2.gz NDHWJKYTONCISW-GBESFXJTSA-N 1 3 345.531 3.272 10 0 EGAEHO CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001691955390 1405673674 /nfs/dbraw/zinc/67/36/74/1405673674.db2.gz SEGKXHLFIIFBNF-SXLOBPIMSA-N 1 3 345.531 3.352 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001692008286 1405726939 /nfs/dbraw/zinc/72/69/39/1405726939.db2.gz DIUXPUIEPYINIA-SJLPKXTDSA-N 1 3 348.535 3.385 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CCC[NH2+]CCC(C)(C)C ZINC001692119528 1405781785 /nfs/dbraw/zinc/78/17/85/1405781785.db2.gz AVAXXCXIKLQEDZ-SJLPKXTDSA-N 1 3 348.535 3.385 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001692129423 1405787745 /nfs/dbraw/zinc/78/77/45/1405787745.db2.gz UEJWAMOEZAFPLV-WWAPKCSDSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221874 1428470331 /nfs/dbraw/zinc/47/03/31/1428470331.db2.gz HHXKRIPGIKFXLY-ICSRJNTNSA-N 1 3 345.531 3.244 10 0 EGAEHO CN(CC(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C1CC1)CC(C)(C)C ZINC001732247053 1428490586 /nfs/dbraw/zinc/49/05/86/1428490586.db2.gz IMCMOJTZBMJDOZ-HXUWFJFHSA-N 1 3 339.568 3.275 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068367 1412493806 /nfs/dbraw/zinc/49/38/06/1412493806.db2.gz XPNLAZSTRMVUDS-RBUKOAKNSA-N 1 3 335.536 3.092 10 0 EGAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001699324304 1412639554 /nfs/dbraw/zinc/63/95/54/1412639554.db2.gz LDTPHNRSSXCPKE-LOKQZNEXSA-N 1 3 349.563 3.197 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699387717 1412700858 /nfs/dbraw/zinc/70/08/58/1412700858.db2.gz FNYZEOLJHULUBK-SJORKVTESA-N 1 3 347.547 3.480 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443029 1412774121 /nfs/dbraw/zinc/77/41/21/1412774121.db2.gz SQWUCKVVKUBOAS-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001699443029 1412774126 /nfs/dbraw/zinc/77/41/26/1412774126.db2.gz SQWUCKVVKUBOAS-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCC1 ZINC001699463405 1412823331 /nfs/dbraw/zinc/82/33/31/1412823331.db2.gz HGAHQIRAAPGCDP-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC1CCC1 ZINC001699463405 1412823334 /nfs/dbraw/zinc/82/33/34/1412823334.db2.gz HGAHQIRAAPGCDP-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575699 1412932129 /nfs/dbraw/zinc/93/21/29/1412932129.db2.gz IBRVURQKJYTRNW-UXHICEINSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672651 1413062981 /nfs/dbraw/zinc/06/29/81/1413062981.db2.gz CBCLFJJOUUCEND-MJGOQNOKSA-N 1 3 346.519 3.236 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672651 1413062983 /nfs/dbraw/zinc/06/29/83/1413062983.db2.gz CBCLFJJOUUCEND-MJGOQNOKSA-N 1 3 346.519 3.236 10 0 EGAEHO CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CC ZINC001699679517 1413074089 /nfs/dbraw/zinc/07/40/89/1413074089.db2.gz DWUORULVQFONOI-IPQPSQTFSA-N 1 3 335.536 3.163 10 0 EGAEHO CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001699741981 1413152628 /nfs/dbraw/zinc/15/26/28/1413152628.db2.gz DOPMTYNQZCHAAT-QFBILLFUSA-N 1 3 331.504 3.131 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805338 1413219510 /nfs/dbraw/zinc/21/95/10/1413219510.db2.gz QROQZFYCRFTLKU-HZQHCPKGSA-N 1 3 344.503 3.013 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805338 1413219513 /nfs/dbraw/zinc/21/95/13/1413219513.db2.gz QROQZFYCRFTLKU-HZQHCPKGSA-N 1 3 344.503 3.013 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001699861432 1413295539 /nfs/dbraw/zinc/29/55/39/1413295539.db2.gz IJRWBZLLAUTTEK-BLGFXRMMSA-N 1 3 337.552 3.147 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001700065468 1413482087 /nfs/dbraw/zinc/48/20/87/1413482087.db2.gz JVGGXYQLRFPEKP-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001700178252 1413588086 /nfs/dbraw/zinc/58/80/86/1413588086.db2.gz INVAJHFNFWZNHS-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001700178252 1413588089 /nfs/dbraw/zinc/58/80/89/1413588089.db2.gz INVAJHFNFWZNHS-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001700414782 1413958143 /nfs/dbraw/zinc/95/81/43/1413958143.db2.gz BVIMFCZDGAZLMN-DLBZAZTESA-N 1 3 339.568 3.418 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001700753168 1414423661 /nfs/dbraw/zinc/42/36/61/1414423661.db2.gz SWDHPZNIOYXPOX-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767756 1414444104 /nfs/dbraw/zinc/44/41/04/1414444104.db2.gz LBJVTRXIWTXHAS-APWZRJJASA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001700875652 1414530009 /nfs/dbraw/zinc/53/00/09/1414530009.db2.gz SZPWYUWPFDVKIS-SLFFLAALSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001701013528 1414675352 /nfs/dbraw/zinc/67/53/52/1414675352.db2.gz OGEPBRABYXGCGK-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001701032996 1414697255 /nfs/dbraw/zinc/69/72/55/1414697255.db2.gz UTXVHUPNJNBPOG-IAGOWNOFSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@H+](CCC2=CCCCC2)CC1)C1CCC1 ZINC001701051368 1414707757 /nfs/dbraw/zinc/70/77/57/1414707757.db2.gz XSSKJQQIQOUBSA-UHFFFAOYSA-N 1 3 345.531 3.110 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@@H+](CCC2=CCCCC2)CC1)C1CCC1 ZINC001701051368 1414707760 /nfs/dbraw/zinc/70/77/60/1414707760.db2.gz XSSKJQQIQOUBSA-UHFFFAOYSA-N 1 3 345.531 3.110 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)CN2CCC(C)CC2)c1 ZINC001732915387 1429045885 /nfs/dbraw/zinc/04/58/85/1429045885.db2.gz USOCUYFHQZDTRP-PHWHVTFISA-N 1 3 343.515 3.050 10 0 EGAEHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001732953305 1429077393 /nfs/dbraw/zinc/07/73/93/1429077393.db2.gz BHTOYYUHRQHVDH-QGZVFWFLSA-N 1 3 349.563 3.316 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCCCCC1 ZINC001707422667 1417329343 /nfs/dbraw/zinc/32/93/43/1417329343.db2.gz NEOGRQSJCWMVQF-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCCCCC1 ZINC001707422667 1417329349 /nfs/dbraw/zinc/32/93/49/1417329349.db2.gz NEOGRQSJCWMVQF-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450130 1417353958 /nfs/dbraw/zinc/35/39/58/1417353958.db2.gz ZGWXPSIMNMWBQL-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)ccc1C ZINC001712991323 1417543348 /nfs/dbraw/zinc/54/33/48/1417543348.db2.gz PRLNYMPSRMUTJE-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC001712991323 1417543349 /nfs/dbraw/zinc/54/33/49/1417543349.db2.gz PRLNYMPSRMUTJE-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CC[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CC1CC(C)C1 ZINC001713012747 1417566535 /nfs/dbraw/zinc/56/65/35/1417566535.db2.gz WZDXBPHOIBLZMO-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CC1CC(C)C1 ZINC001713012747 1417566537 /nfs/dbraw/zinc/56/65/37/1417566537.db2.gz WZDXBPHOIBLZMO-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1F ZINC001713019142 1417571675 /nfs/dbraw/zinc/57/16/75/1417571675.db2.gz FYFMJYXXYDNCDA-UHFFFAOYSA-N 1 3 349.494 3.028 10 0 EGAEHO CCCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713102130 1417656094 /nfs/dbraw/zinc/65/60/94/1417656094.db2.gz MYMGJOYMKNUCJT-HDICACEKSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001713151757 1417732010 /nfs/dbraw/zinc/73/20/10/1417732010.db2.gz HKAFSIHFFUCZBI-IBGZPJMESA-N 1 3 331.504 3.133 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001713215641 1417789967 /nfs/dbraw/zinc/78/99/67/1417789967.db2.gz PKFOFEVKGZXBDH-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001713215641 1417789972 /nfs/dbraw/zinc/78/99/72/1417789972.db2.gz PKFOFEVKGZXBDH-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001713220524 1417802855 /nfs/dbraw/zinc/80/28/55/1417802855.db2.gz MXQPTTZNLGIGAG-OALUTQOASA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001713220524 1417802861 /nfs/dbraw/zinc/80/28/61/1417802861.db2.gz MXQPTTZNLGIGAG-OALUTQOASA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001733063633 1429215215 /nfs/dbraw/zinc/21/52/15/1429215215.db2.gz XNIABJMGHPJUNL-QZTJIDSGSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001733063633 1429215219 /nfs/dbraw/zinc/21/52/19/1429215219.db2.gz XNIABJMGHPJUNL-QZTJIDSGSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275291 1417893533 /nfs/dbraw/zinc/89/35/33/1417893533.db2.gz GVTVQSFOLCZYDZ-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275291 1417893538 /nfs/dbraw/zinc/89/35/38/1417893538.db2.gz GVTVQSFOLCZYDZ-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001713392820 1418006400 /nfs/dbraw/zinc/00/64/00/1418006400.db2.gz TVGPBYZJQNIOIO-OALUTQOASA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001713392820 1418006406 /nfs/dbraw/zinc/00/64/06/1418006406.db2.gz TVGPBYZJQNIOIO-OALUTQOASA-N 1 3 337.552 3.362 10 0 EGAEHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001713751415 1418553040 /nfs/dbraw/zinc/55/30/40/1418553040.db2.gz USQYSRIZNDGENF-LJQANCHMSA-N 1 3 347.547 3.142 10 0 EGAEHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001713751415 1418553044 /nfs/dbraw/zinc/55/30/44/1418553044.db2.gz USQYSRIZNDGENF-LJQANCHMSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792447 1418610543 /nfs/dbraw/zinc/61/05/43/1418610543.db2.gz UENRHNCUKVTCMU-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001713794108 1418613765 /nfs/dbraw/zinc/61/37/65/1418613765.db2.gz AQEINSJJQDPVFO-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001713794108 1418613767 /nfs/dbraw/zinc/61/37/67/1418613767.db2.gz AQEINSJJQDPVFO-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001714080952 1418874597 /nfs/dbraw/zinc/87/45/97/1418874597.db2.gz ZNXWFLNDEIWLTL-LJQANCHMSA-N 1 3 349.563 3.293 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC(C)C)CC1 ZINC001714190172 1418997329 /nfs/dbraw/zinc/99/73/29/1418997329.db2.gz KUCLMBZBPGQARP-ACBHZAAOSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275321 1419055997 /nfs/dbraw/zinc/05/59/97/1419055997.db2.gz YQLSZTOZTFHPJP-BEFAXECRSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001714317401 1419096251 /nfs/dbraw/zinc/09/62/51/1419096251.db2.gz ZMDWIZPUMDOGBI-WGSAOQKQSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001714408196 1419148779 /nfs/dbraw/zinc/14/87/79/1419148779.db2.gz PLFNWNQITPWHDI-ZWKOTPCHSA-N 1 3 337.552 3.458 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)CCC1 ZINC001714520857 1419246905 /nfs/dbraw/zinc/24/69/05/1419246905.db2.gz XIABGVFOCCZBBJ-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2=CCCCC2)CCC1 ZINC001714520857 1419246910 /nfs/dbraw/zinc/24/69/10/1419246910.db2.gz XIABGVFOCCZBBJ-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001715336367 1420040346 /nfs/dbraw/zinc/04/03/46/1420040346.db2.gz JHZFFFUVHZNIKN-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376641 1420072878 /nfs/dbraw/zinc/07/28/78/1420072878.db2.gz KLFOXLSGVKZAQP-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCN1C(C)C ZINC001715382559 1420079713 /nfs/dbraw/zinc/07/97/13/1420079713.db2.gz LOMULHFMKHWNNZ-PMACEKPBSA-N 1 3 349.563 3.480 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001715410684 1420107028 /nfs/dbraw/zinc/10/70/28/1420107028.db2.gz IWRQLDPIKCVITE-FXAWDEMLSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001715535638 1420230073 /nfs/dbraw/zinc/23/00/73/1420230073.db2.gz DIDBNDLQOFMEPN-UXHICEINSA-N 1 3 345.531 3.006 10 0 EGAEHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001715536293 1420231519 /nfs/dbraw/zinc/23/15/19/1420231519.db2.gz SLLJHJVNEQXXJA-SFHVURJKSA-N 1 3 333.520 3.096 10 0 EGAEHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001715536293 1420231521 /nfs/dbraw/zinc/23/15/21/1420231521.db2.gz SLLJHJVNEQXXJA-SFHVURJKSA-N 1 3 333.520 3.096 10 0 EGAEHO CCN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)CN(C)C(C)C ZINC001715775581 1420339386 /nfs/dbraw/zinc/33/93/86/1420339386.db2.gz QOJXNSBMEBCUAA-UHFFFAOYSA-N 1 3 347.547 3.262 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001716051762 1420515875 /nfs/dbraw/zinc/51/58/75/1420515875.db2.gz RGHNHDFGAVNMRP-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001716051762 1420515876 /nfs/dbraw/zinc/51/58/76/1420515876.db2.gz RGHNHDFGAVNMRP-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001716076480 1420530413 /nfs/dbraw/zinc/53/04/13/1420530413.db2.gz ZJKFWRLKQSSQIM-RTBURBONSA-N 1 3 337.552 3.172 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001716454783 1420669716 /nfs/dbraw/zinc/66/97/16/1420669716.db2.gz KFMHPCVMYJBNRI-FXAWDEMLSA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001716566925 1420762949 /nfs/dbraw/zinc/76/29/49/1420762949.db2.gz BZAAHXHMLKYSGK-QFBILLFUSA-N 1 3 349.494 3.057 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001716642395 1420797967 /nfs/dbraw/zinc/79/79/67/1420797967.db2.gz LHNVPKBVAGWODT-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)N(C)C ZINC001716708533 1420862407 /nfs/dbraw/zinc/86/24/07/1420862407.db2.gz JFXXLNWSQYTZAZ-TZONTBHPSA-N 1 3 335.536 3.185 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]CC2CC(NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001717384806 1421325812 /nfs/dbraw/zinc/32/58/12/1421325812.db2.gz MMJRDQPKOLLLKU-MUYFXNHWSA-N 1 3 343.515 3.025 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001717474547 1421407615 /nfs/dbraw/zinc/40/76/15/1421407615.db2.gz OTIOGKWJPCZQCI-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC001717474547 1421407616 /nfs/dbraw/zinc/40/76/16/1421407616.db2.gz OTIOGKWJPCZQCI-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001717474546 1421407745 /nfs/dbraw/zinc/40/77/45/1421407745.db2.gz OTIOGKWJPCZQCI-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC001717474546 1421407747 /nfs/dbraw/zinc/40/77/47/1421407747.db2.gz OTIOGKWJPCZQCI-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001717599190 1421522258 /nfs/dbraw/zinc/52/22/58/1421522258.db2.gz BNTTVRIOFBVXCM-HAGHYFMRSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001717599190 1421522260 /nfs/dbraw/zinc/52/22/60/1421522260.db2.gz BNTTVRIOFBVXCM-HAGHYFMRSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881866 1421685985 /nfs/dbraw/zinc/68/59/85/1421685985.db2.gz VXGFBADSRATXPJ-RTBURBONSA-N 1 3 349.563 3.339 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717952339 1421723201 /nfs/dbraw/zinc/72/32/01/1421723201.db2.gz TUQGBZUXPFPWCB-RTBURBONSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001717952339 1421723203 /nfs/dbraw/zinc/72/32/03/1421723203.db2.gz TUQGBZUXPFPWCB-RTBURBONSA-N 1 3 345.531 3.258 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001733359537 1429542022 /nfs/dbraw/zinc/54/20/22/1429542022.db2.gz BRGMPEYWAHMWCH-SFHVURJKSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1 ZINC001733362837 1429548245 /nfs/dbraw/zinc/54/82/45/1429548245.db2.gz XEQUFJBUJCJKSG-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001723369836 1424373791 /nfs/dbraw/zinc/37/37/91/1424373791.db2.gz FJHQJQJJWANJBI-LJJUJYJISA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](CC)C1 ZINC001723388167 1424382364 /nfs/dbraw/zinc/38/23/64/1424382364.db2.gz ZHIRDKJGNAMXJJ-RBUKOAKNSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723854400 1424585816 /nfs/dbraw/zinc/58/58/16/1424585816.db2.gz AWDVEQLGWHDKGL-AEFFLSMTSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCCC[NH+]1CCC(C)(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001724307326 1424789968 /nfs/dbraw/zinc/78/99/68/1424789968.db2.gz ZHMNNZPCUPKTFM-HDICACEKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCc1ccccc1[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C(C)C ZINC001724511066 1424887507 /nfs/dbraw/zinc/88/75/07/1424887507.db2.gz DYOYSICPNJXUFA-LJQANCHMSA-N 1 3 345.531 3.279 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001724857816 1425233281 /nfs/dbraw/zinc/23/32/81/1425233281.db2.gz NSARPYLRCUZREZ-UYAOXDASSA-N 1 3 347.547 3.485 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001724857816 1425233285 /nfs/dbraw/zinc/23/32/85/1425233285.db2.gz NSARPYLRCUZREZ-UYAOXDASSA-N 1 3 347.547 3.485 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001724897895 1425291541 /nfs/dbraw/zinc/29/15/41/1425291541.db2.gz KLVMVDFAGJTQKB-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001724897895 1425291545 /nfs/dbraw/zinc/29/15/45/1425291545.db2.gz KLVMVDFAGJTQKB-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966065 1425357946 /nfs/dbraw/zinc/35/79/46/1425357946.db2.gz LKQWZICGMQDXCV-IPLHWJFFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966065 1425357956 /nfs/dbraw/zinc/35/79/56/1425357956.db2.gz LKQWZICGMQDXCV-IPLHWJFFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001731505253 1427489902 /nfs/dbraw/zinc/48/99/02/1427489902.db2.gz TUAWOQCGWZSIJS-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001731505253 1427489905 /nfs/dbraw/zinc/48/99/05/1427489905.db2.gz TUAWOQCGWZSIJS-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001731528900 1427518914 /nfs/dbraw/zinc/51/89/14/1427518914.db2.gz BPDISVJXJWKNNO-QUCCMNQESA-N 1 3 345.531 3.306 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c(C)c1 ZINC001731621818 1427672115 /nfs/dbraw/zinc/67/21/15/1427672115.db2.gz HPPCKARFHVGMGM-AZUAARDMSA-N 1 3 345.531 3.161 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c(C)c1 ZINC001731621823 1427672168 /nfs/dbraw/zinc/67/21/68/1427672168.db2.gz HPPCKARFHVGMGM-UYAOXDASSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001731815451 1428009542 /nfs/dbraw/zinc/00/95/42/1428009542.db2.gz CPRYWROHDASVDC-KRWDZBQOSA-N 1 3 345.531 3.015 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001731815451 1428009546 /nfs/dbraw/zinc/00/95/46/1428009546.db2.gz CPRYWROHDASVDC-KRWDZBQOSA-N 1 3 345.531 3.015 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668125 1429862766 /nfs/dbraw/zinc/86/27/66/1429862766.db2.gz SKFAOFFXGNMGMX-UYAOXDASSA-N 1 3 347.547 3.047 10 0 EGAEHO Cc1ccc(C[NH2+]C2(C)CCN(C(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001733869519 1437695996 /nfs/dbraw/zinc/69/59/96/1437695996.db2.gz LIAWZSNQRIABKS-UHFFFAOYSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001733904571 1437723224 /nfs/dbraw/zinc/72/32/24/1437723224.db2.gz ZZPVZJUOHJMYKT-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001733904571 1437723225 /nfs/dbraw/zinc/72/32/25/1437723225.db2.gz ZZPVZJUOHJMYKT-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001733975045 1437774978 /nfs/dbraw/zinc/77/49/78/1437774978.db2.gz XQTZJTDYTQQSOI-IAGOWNOFSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001734034225 1437822553 /nfs/dbraw/zinc/82/25/53/1437822553.db2.gz ICQCELFABLALJU-IEBWSBKVSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001734034225 1437822555 /nfs/dbraw/zinc/82/25/55/1437822555.db2.gz ICQCELFABLALJU-IEBWSBKVSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)c1ccc([C@@H](C)N2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122088 1437902003 /nfs/dbraw/zinc/90/20/03/1437902003.db2.gz ZAIOBZFTUKSIBO-DLBZAZTESA-N 1 3 345.531 3.259 10 0 EGAEHO CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001734123618 1437903227 /nfs/dbraw/zinc/90/32/27/1437903227.db2.gz GXBPFSRNUYZFEC-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001734123616 1437903308 /nfs/dbraw/zinc/90/33/08/1437903308.db2.gz GXBPFSRNUYZFEC-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148756 1437916691 /nfs/dbraw/zinc/91/66/91/1437916691.db2.gz VFMPBNMJUONAEZ-QZTJIDSGSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148756 1437916694 /nfs/dbraw/zinc/91/66/94/1437916694.db2.gz VFMPBNMJUONAEZ-QZTJIDSGSA-N 1 3 349.563 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001734187808 1437931109 /nfs/dbraw/zinc/93/11/09/1437931109.db2.gz HPMSPIUNPPFDTC-OISZBXDOSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001734187808 1437931110 /nfs/dbraw/zinc/93/11/10/1437931110.db2.gz HPMSPIUNPPFDTC-OISZBXDOSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232913 1437951434 /nfs/dbraw/zinc/95/14/34/1437951434.db2.gz HJXYVTPLYPVFKN-AEFFLSMTSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232915 1437951508 /nfs/dbraw/zinc/95/15/08/1437951508.db2.gz HJXYVTPLYPVFKN-SJLPKXTDSA-N 1 3 337.552 3.170 10 0 EGAEHO c1cnn(-c2ccccc2C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298571388 201353960 /nfs/dbraw/zinc/35/39/60/201353960.db2.gz XAEFFELQTFYQPH-UHFFFAOYSA-N 1 3 333.439 3.026 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[C@H](C)O1 ZINC000175982718 207180158 /nfs/dbraw/zinc/18/01/58/207180158.db2.gz YAIKAUGNFIUNRB-CALCHBBNSA-N 1 3 342.487 3.056 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1)C(C)C ZINC000247365371 285096806 /nfs/dbraw/zinc/09/68/06/285096806.db2.gz KKDOGCRGBUCIEA-PXNSSMCTSA-N 1 3 345.531 3.472 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1)C(C)C ZINC000247365371 285096810 /nfs/dbraw/zinc/09/68/10/285096810.db2.gz KKDOGCRGBUCIEA-PXNSSMCTSA-N 1 3 345.531 3.472 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000353456354 141300454 /nfs/dbraw/zinc/30/04/54/141300454.db2.gz VPSYYUHCMWFKAH-FHWLQOOXSA-N 1 3 329.488 3.365 10 0 EGAEHO CCC[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccnc1 ZINC000185573280 144115155 /nfs/dbraw/zinc/11/51/55/144115155.db2.gz WCWPWMZJHDQQEN-HXUWFJFHSA-N 1 3 344.547 3.463 10 0 EGAEHO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000118759325 152151695 /nfs/dbraw/zinc/15/16/95/152151695.db2.gz TWWJVFVDJQMYFL-SFHVURJKSA-N 1 3 343.515 3.163 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)CC1 ZINC000249064428 163053818 /nfs/dbraw/zinc/05/38/18/163053818.db2.gz QBDLZNGPYKBXGT-RTBURBONSA-N 1 3 333.520 3.469 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)CC1 ZINC000249064428 163053821 /nfs/dbraw/zinc/05/38/21/163053821.db2.gz QBDLZNGPYKBXGT-RTBURBONSA-N 1 3 333.520 3.469 10 0 EGAEHO C[N@H+](CCCN1CCCC1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000337278429 163192212 /nfs/dbraw/zinc/19/22/12/163192212.db2.gz SSLQHZINMTYRFW-MRXNPFEDSA-N 1 3 344.421 3.027 10 0 EGAEHO C[N@@H+](CCCN1CCCC1)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000337278429 163192214 /nfs/dbraw/zinc/19/22/14/163192214.db2.gz SSLQHZINMTYRFW-MRXNPFEDSA-N 1 3 344.421 3.027 10 0 EGAEHO CC[N@H+](CCC1CCN(C[C@H](O)CC(F)(F)F)CC1)CC1CC1 ZINC000346507792 164388473 /nfs/dbraw/zinc/38/84/73/164388473.db2.gz UYYQDXCWTUXTBM-MRXNPFEDSA-N 1 3 336.442 3.134 10 0 EGAEHO CC[N@@H+](CCC1CCN(C[C@H](O)CC(F)(F)F)CC1)CC1CC1 ZINC000346507792 164388474 /nfs/dbraw/zinc/38/84/74/164388474.db2.gz UYYQDXCWTUXTBM-MRXNPFEDSA-N 1 3 336.442 3.134 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000352049817 165209649 /nfs/dbraw/zinc/20/96/49/165209649.db2.gz TUNSEEARURYKOF-MISYRCLQSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000352049817 165209655 /nfs/dbraw/zinc/20/96/55/165209655.db2.gz TUNSEEARURYKOF-MISYRCLQSA-N 1 3 343.515 3.203 10 0 EGAEHO CC(C)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000359226875 167101683 /nfs/dbraw/zinc/10/16/83/167101683.db2.gz GQZWEGLPIPMRCR-NHCUHLMSSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000359226875 167101685 /nfs/dbraw/zinc/10/16/85/167101685.db2.gz GQZWEGLPIPMRCR-NHCUHLMSSA-N 1 3 339.483 3.135 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@@H]2CCC[C@H]21 ZINC000367627475 168252277 /nfs/dbraw/zinc/25/22/77/168252277.db2.gz TVNWXBGJSJYYKN-RLFYNMQTSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@@H]2CCC[C@H]21 ZINC000367627475 168252279 /nfs/dbraw/zinc/25/22/79/168252279.db2.gz TVNWXBGJSJYYKN-RLFYNMQTSA-N 1 3 342.512 3.210 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)CC1 ZINC000273259230 267007957 /nfs/dbraw/zinc/00/79/57/267007957.db2.gz XPIITGLORSPGGA-HXUWFJFHSA-N 1 3 343.559 3.356 10 0 EGAEHO CN1CCC(Cc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CC1 ZINC000288916131 276267106 /nfs/dbraw/zinc/26/71/06/276267106.db2.gz LDBUAOVGTYYMNC-UHFFFAOYSA-N 1 3 340.471 3.217 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481979 277043879 /nfs/dbraw/zinc/04/38/79/277043879.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 1 3 330.520 3.273 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481979 277043880 /nfs/dbraw/zinc/04/38/80/277043880.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481979 277043881 /nfs/dbraw/zinc/04/38/81/277043881.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481979 277043882 /nfs/dbraw/zinc/04/38/82/277043882.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 1 3 330.520 3.273 10 0 EGAEHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCO2 ZINC000150977094 301447169 /nfs/dbraw/zinc/44/71/69/301447169.db2.gz ZRUVVEMFVVXUKP-HXUWFJFHSA-N 1 3 345.531 3.133 10 0 EGAEHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000414327080 309073170 /nfs/dbraw/zinc/07/31/70/309073170.db2.gz BETJWCVHCUTJAB-LLVBAIKDSA-N 1 3 342.527 3.428 10 0 EGAEHO COc1cccc(C[N@H+](C[C@@H](N)CC(C)C)C2CCC(O)CC2)c1 ZINC000414739531 309098270 /nfs/dbraw/zinc/09/82/70/309098270.db2.gz FZTQDXWTXBSPNL-VIQWUECVSA-N 1 3 334.504 3.174 10 0 EGAEHO COc1cccc(C[N@@H+](C[C@@H](N)CC(C)C)C2CCC(O)CC2)c1 ZINC000414739531 309098271 /nfs/dbraw/zinc/09/82/71/309098271.db2.gz FZTQDXWTXBSPNL-VIQWUECVSA-N 1 3 334.504 3.174 10 0 EGAEHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414908251 309108650 /nfs/dbraw/zinc/10/86/50/309108650.db2.gz BDUVPOZQQYPXIW-UGSOOPFHSA-N 1 3 339.886 3.031 10 0 EGAEHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007155 309113920 /nfs/dbraw/zinc/11/39/20/309113920.db2.gz QXUAEYXNJKXIRV-MCYKXBRJSA-N 1 3 334.479 3.314 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NCCC[NH2+]C1CC1 ZINC000415065309 309117902 /nfs/dbraw/zinc/11/79/02/309117902.db2.gz FVYQJHSQVAIEJT-LLVKDONJSA-N 1 3 329.257 3.251 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCNC1CC1 ZINC000415065309 309117903 /nfs/dbraw/zinc/11/79/03/309117903.db2.gz FVYQJHSQVAIEJT-LLVKDONJSA-N 1 3 329.257 3.251 10 0 EGAEHO CC[NH+](CC)CC1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000416132983 309160131 /nfs/dbraw/zinc/16/01/31/309160131.db2.gz BUFWVTJWBJKORB-FQEVSTJZSA-N 1 3 345.531 3.260 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417528164 309209486 /nfs/dbraw/zinc/20/94/86/309209486.db2.gz FBBSHAWOKJBNFQ-ZIFCJYIRSA-N 1 3 346.519 3.029 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000420314116 309281410 /nfs/dbraw/zinc/28/14/10/309281410.db2.gz YUEBCZSNKIIDBM-XLIONFOSSA-N 1 3 332.488 3.161 10 0 EGAEHO c1ccc(-c2noc(CCCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420386359 309285731 /nfs/dbraw/zinc/28/57/31/309285731.db2.gz FRLUKADNVMFXLO-MSOLQXFVSA-N 1 3 340.471 3.133 10 0 EGAEHO Cc1ccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750894 309366449 /nfs/dbraw/zinc/36/64/49/309366449.db2.gz DVJUNEQZIZXOMT-CTNGQTDRSA-N 1 3 338.451 3.219 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422752641 309366599 /nfs/dbraw/zinc/36/65/99/309366599.db2.gz CUHJSRNICNRPIR-LRGNLBRXSA-N 1 3 343.515 3.174 10 0 EGAEHO COc1ccc(C)cc1C1(CN[C@H]2CCCCC[C@@H]2[NH3+])CCOCC1 ZINC000422895720 309374752 /nfs/dbraw/zinc/37/47/52/309374752.db2.gz GKFFYHURCIAVSO-OALUTQOASA-N 1 3 346.515 3.301 10 0 EGAEHO COC[C@H](CCC[NH3+])NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422956794 309377978 /nfs/dbraw/zinc/37/79/78/309377978.db2.gz LZTAOOZMBOVPEP-HNNXBMFYSA-N 1 3 330.394 3.428 10 0 EGAEHO CCN1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017862 309381125 /nfs/dbraw/zinc/38/11/25/309381125.db2.gz PREJNIUATMEJDH-UDVXPWBQSA-N 1 3 327.875 3.330 10 0 EGAEHO CCOC(=O)C1([C@H](C)NCc2ccc(C3CC3)cc2F)CC[NH2+]CC1 ZINC000423129805 309387520 /nfs/dbraw/zinc/38/75/20/309387520.db2.gz MIYRXULHMYJCTN-AWEZNQCLSA-N 1 3 348.462 3.114 10 0 EGAEHO N[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232727 309391630 /nfs/dbraw/zinc/39/16/30/309391630.db2.gz CSWNYBYKXZPQSJ-KJJMTIBFSA-N 1 3 335.495 3.472 10 0 EGAEHO N[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232727 309391631 /nfs/dbraw/zinc/39/16/31/309391631.db2.gz CSWNYBYKXZPQSJ-KJJMTIBFSA-N 1 3 335.495 3.472 10 0 EGAEHO Cc1ccc([C@H](CCn2cncn2)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000423242515 309392039 /nfs/dbraw/zinc/39/20/39/309392039.db2.gz MCQJCYYELJCCJH-PMACEKPBSA-N 1 3 335.455 3.008 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCOCC(F)(F)F)CC1 ZINC000449073193 310034962 /nfs/dbraw/zinc/03/49/62/310034962.db2.gz RGYSOMNPSXUMRQ-HNNXBMFYSA-N 1 3 344.421 3.251 10 0 EGAEHO COc1ccc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449076524 310035156 /nfs/dbraw/zinc/03/51/56/310035156.db2.gz TYBYAGAPOQERAJ-QGZVFWFLSA-N 1 3 339.483 3.275 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)OC(C)(C)C)CC1 ZINC000449165069 310041612 /nfs/dbraw/zinc/04/16/12/310041612.db2.gz SUGOIRRWKXSKIW-KRWDZBQOSA-N 1 3 346.515 3.403 10 0 EGAEHO CC(C)N(C)C[C@H](C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449337935 310054673 /nfs/dbraw/zinc/05/46/73/310054673.db2.gz QUVUAHMLPVHZNC-OALUTQOASA-N 1 3 331.548 3.400 10 0 EGAEHO CO[C@@H]1COCC[C@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457558 310063615 /nfs/dbraw/zinc/06/36/15/310063615.db2.gz HQUARAJPOOARBZ-FUHWJXTLSA-N 1 3 340.552 3.307 10 0 EGAEHO CO[C@@H]1COCC[C@H]1C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449457558 310063616 /nfs/dbraw/zinc/06/36/16/310063616.db2.gz HQUARAJPOOARBZ-FUHWJXTLSA-N 1 3 340.552 3.307 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453063500 310255359 /nfs/dbraw/zinc/25/53/59/310255359.db2.gz NRPFJFAVRQEKQG-MNEFBYGVSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453063500 310255360 /nfs/dbraw/zinc/25/53/60/310255360.db2.gz NRPFJFAVRQEKQG-MNEFBYGVSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453063500 310255361 /nfs/dbraw/zinc/25/53/61/310255361.db2.gz NRPFJFAVRQEKQG-MNEFBYGVSA-N 1 3 336.907 3.362 10 0 EGAEHO CN1CCC(C[NH2+][C@H](C2CC2)C2CCCC2)(N2CCCCC2)CC1 ZINC000453118242 310259024 /nfs/dbraw/zinc/25/90/24/310259024.db2.gz KXGBFCHNOSSVED-FQEVSTJZSA-N 1 3 333.564 3.495 10 0 EGAEHO Fc1cc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc(F)c1F ZINC000459455881 310553854 /nfs/dbraw/zinc/55/38/54/310553854.db2.gz DNEZYQFVVXXGGA-UHFFFAOYSA-N 1 3 335.373 3.300 10 0 EGAEHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475146834 310807108 /nfs/dbraw/zinc/80/71/08/310807108.db2.gz ZEYAYXWNMMXKKR-ZCNNSNEGSA-N 1 3 345.531 3.210 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505803 312212327 /nfs/dbraw/zinc/21/23/27/312212327.db2.gz MICQJNFQWCOTPQ-PKOBYXMFSA-N 1 3 339.483 3.486 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513505803 312212328 /nfs/dbraw/zinc/21/23/28/312212328.db2.gz MICQJNFQWCOTPQ-PKOBYXMFSA-N 1 3 339.483 3.486 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000513697638 312215615 /nfs/dbraw/zinc/21/56/15/312215615.db2.gz PZQYZLOUYJPLPB-FHWLQOOXSA-N 1 3 343.446 3.486 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000513697638 312215616 /nfs/dbraw/zinc/21/56/16/312215616.db2.gz PZQYZLOUYJPLPB-FHWLQOOXSA-N 1 3 343.446 3.486 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000514086733 312224079 /nfs/dbraw/zinc/22/40/79/312224079.db2.gz CMYOXOUOSLHOBO-BHIFYINESA-N 1 3 341.543 3.156 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000516464914 312324706 /nfs/dbraw/zinc/32/47/06/312324706.db2.gz GXLNNNKEJSGOPJ-UXHICEINSA-N 1 3 339.483 3.220 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000516464914 312324708 /nfs/dbraw/zinc/32/47/08/312324708.db2.gz GXLNNNKEJSGOPJ-UXHICEINSA-N 1 3 339.483 3.220 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536961759 314155032 /nfs/dbraw/zinc/15/50/32/314155032.db2.gz MPZLUIOCKSLWTI-HXUWFJFHSA-N 1 3 333.495 3.202 10 0 EGAEHO CC(C)CC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C ZINC000553315281 315257243 /nfs/dbraw/zinc/25/72/43/315257243.db2.gz XQULINKSWRKDRP-GOSISDBHSA-N 1 3 337.552 3.170 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000384069184 324258458 /nfs/dbraw/zinc/25/84/58/324258458.db2.gz UYQGEHADFWPESU-HBMCJLEFSA-N 1 3 328.500 3.303 10 0 EGAEHO COc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1OC ZINC000581005744 325320266 /nfs/dbraw/zinc/32/02/66/325320266.db2.gz HSPGNPUMRSVNMT-RCCFBDPRSA-N 1 3 332.488 3.147 10 0 EGAEHO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000581340601 325352739 /nfs/dbraw/zinc/35/27/39/325352739.db2.gz GSTLWAPELSSXLW-ZDUSSCGKSA-N 1 3 347.409 3.463 10 0 EGAEHO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000581340601 325352741 /nfs/dbraw/zinc/35/27/41/325352741.db2.gz GSTLWAPELSSXLW-ZDUSSCGKSA-N 1 3 347.409 3.463 10 0 EGAEHO Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000183149592 455239072 /nfs/dbraw/zinc/23/90/72/455239072.db2.gz COEHJCVXCRJKTG-PCCBWWKXSA-N 1 3 338.499 3.082 10 0 EGAEHO CN1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000623477851 460570721 /nfs/dbraw/zinc/57/07/21/460570721.db2.gz ULXLXQAMISBJPO-WBAXXEDZSA-N 1 3 337.458 3.172 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1(C)C ZINC000623507241 460588018 /nfs/dbraw/zinc/58/80/18/460588018.db2.gz AGCDZRCDGVHZHU-ZJOUEHCJSA-N 1 3 348.506 3.362 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1(C)C ZINC000623507241 460588023 /nfs/dbraw/zinc/58/80/23/460588023.db2.gz AGCDZRCDGVHZHU-ZJOUEHCJSA-N 1 3 348.506 3.362 10 0 EGAEHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081333712 453861892 /nfs/dbraw/zinc/86/18/92/453861892.db2.gz PLLGOVHWLVYQRQ-LJQANCHMSA-N 1 3 343.515 3.086 10 0 EGAEHO C[N@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000068899428 454063648 /nfs/dbraw/zinc/06/36/48/454063648.db2.gz QKAMSASRHRPQPG-UHFFFAOYSA-N 1 3 343.515 3.277 10 0 EGAEHO C[N@@H+](CCNC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000068899428 454063650 /nfs/dbraw/zinc/06/36/50/454063650.db2.gz QKAMSASRHRPQPG-UHFFFAOYSA-N 1 3 343.515 3.277 10 0 EGAEHO C[C@H]1[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513094 454157662 /nfs/dbraw/zinc/15/76/62/454157662.db2.gz PTFVWTCJMQBSQT-QFBILLFUSA-N 1 3 343.515 3.029 10 0 EGAEHO Cc1cccc(C(C)C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119714904 454215752 /nfs/dbraw/zinc/21/57/52/454215752.db2.gz RLGXPGPVANEXPW-UHFFFAOYSA-N 1 3 334.508 3.076 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)(C)C ZINC000090028405 454264980 /nfs/dbraw/zinc/26/49/80/454264980.db2.gz AWFHOBJCFVWWNI-MRXNPFEDSA-N 1 3 331.504 3.036 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1)C(C)C ZINC000124597276 454750830 /nfs/dbraw/zinc/75/08/30/454750830.db2.gz KKDOGCRGBUCIEA-YLJYHZDGSA-N 1 3 345.531 3.472 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1)C(C)C ZINC000124597276 454750837 /nfs/dbraw/zinc/75/08/37/454750837.db2.gz KKDOGCRGBUCIEA-YLJYHZDGSA-N 1 3 345.531 3.472 10 0 EGAEHO CN1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc32)(N2CCCCC2)CC1 ZINC000124614268 454753596 /nfs/dbraw/zinc/75/35/96/454753596.db2.gz MOFRKIWIWAJJFG-HXUWFJFHSA-N 1 3 345.506 3.353 10 0 EGAEHO Cc1cc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n[nH]1 ZINC000245646285 455346846 /nfs/dbraw/zinc/34/68/46/455346846.db2.gz BNWVZZDBFDLJCE-DPDLHNOKSA-N 1 3 338.499 3.434 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n[nH]1 ZINC000245646286 455347026 /nfs/dbraw/zinc/34/70/26/455347026.db2.gz BNWVZZDBFDLJCE-MEGFKASBSA-N 1 3 338.499 3.434 10 0 EGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)cc1 ZINC000174252766 455374041 /nfs/dbraw/zinc/37/40/41/455374041.db2.gz YROQEBUYBJYTOO-KRWDZBQOSA-N 1 3 333.495 3.427 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000246578524 455509479 /nfs/dbraw/zinc/50/94/79/455509479.db2.gz FYEZZPRWKMDJMN-BMFZPTHFSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000246578524 455509483 /nfs/dbraw/zinc/50/94/83/455509483.db2.gz FYEZZPRWKMDJMN-BMFZPTHFSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385845 455933828 /nfs/dbraw/zinc/93/38/28/455933828.db2.gz GAUWIUIIDBIQSR-QOVBHOHNSA-N 1 3 339.527 3.254 10 0 EGAEHO COc1cc(CCC2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc(OC)c1 ZINC000261898234 455966764 /nfs/dbraw/zinc/96/67/64/455966764.db2.gz VJYQHLGVAOYHNV-OAQYLSRUSA-N 1 3 346.515 3.348 10 0 EGAEHO Cc1cccc2c(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)ccnc12 ZINC000301695440 456189383 /nfs/dbraw/zinc/18/93/83/456189383.db2.gz YKNOQJOURQGNPQ-SFHVURJKSA-N 1 3 338.499 3.150 10 0 EGAEHO Cc1cccc2c(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)ccnc12 ZINC000301695440 456189386 /nfs/dbraw/zinc/18/93/86/456189386.db2.gz YKNOQJOURQGNPQ-SFHVURJKSA-N 1 3 338.499 3.150 10 0 EGAEHO CN1CCC(Cc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CC1 ZINC000290123801 456246054 /nfs/dbraw/zinc/24/60/54/456246054.db2.gz GOESPBYCLTWJBT-UHFFFAOYSA-N 1 3 340.471 3.217 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189249289 456264573 /nfs/dbraw/zinc/26/45/73/456264573.db2.gz ZDBGTPZDWJIWMR-UHFFFAOYSA-N 1 3 344.478 3.282 10 0 EGAEHO CC(C)[NH+](CCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000347660437 456288562 /nfs/dbraw/zinc/28/85/62/456288562.db2.gz WEPNTFMCZIMEMJ-ROUUACIJSA-N 1 3 340.556 3.057 10 0 EGAEHO Cc1ccc2nccc(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000302149947 456300435 /nfs/dbraw/zinc/30/04/35/456300435.db2.gz JWOVSFCJPKIBOG-SFHVURJKSA-N 1 3 338.499 3.150 10 0 EGAEHO Cc1ccc2nccc(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000302149947 456300440 /nfs/dbraw/zinc/30/04/40/456300440.db2.gz JWOVSFCJPKIBOG-SFHVURJKSA-N 1 3 338.499 3.150 10 0 EGAEHO CC(C)(C)[NH+]1CCC(NCCc2cccc(C(F)(F)F)n2)CC1 ZINC000340429425 456456379 /nfs/dbraw/zinc/45/63/79/456456379.db2.gz WZNRLJQMQHCSGE-UHFFFAOYSA-N 1 3 329.410 3.495 10 0 EGAEHO CC(C)(C)N1CCC([NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000340429425 456456384 /nfs/dbraw/zinc/45/63/84/456456384.db2.gz WZNRLJQMQHCSGE-UHFFFAOYSA-N 1 3 329.410 3.495 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CN1Cc1ccccc1 ZINC000353396305 456673336 /nfs/dbraw/zinc/67/33/36/456673336.db2.gz SOJXKGWWSSPIRE-RQSWOZRGSA-N 1 3 327.516 3.112 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353408590 456682140 /nfs/dbraw/zinc/68/21/40/456682140.db2.gz ZORRHSRZAMTFNU-SBHAEUEKSA-N 1 3 338.499 3.452 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353408590 456682147 /nfs/dbraw/zinc/68/21/47/456682147.db2.gz ZORRHSRZAMTFNU-SBHAEUEKSA-N 1 3 338.499 3.452 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338533880 456837460 /nfs/dbraw/zinc/83/74/60/456837460.db2.gz BLNFNEJBNDEHCT-HDICACEKSA-N 1 3 343.515 3.275 10 0 EGAEHO c1ccc2c(c1)nccc2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000339054825 456918570 /nfs/dbraw/zinc/91/85/70/456918570.db2.gz VZACERJZORLZCH-QGZVFWFLSA-N 1 3 325.456 3.316 10 0 EGAEHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000356594301 457073085 /nfs/dbraw/zinc/07/30/85/457073085.db2.gz HXQAYDFHMOSCBU-KRWDZBQOSA-N 1 3 331.504 3.133 10 0 EGAEHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000356594301 457073090 /nfs/dbraw/zinc/07/30/90/457073090.db2.gz HXQAYDFHMOSCBU-KRWDZBQOSA-N 1 3 331.504 3.133 10 0 EGAEHO C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000342704375 457466834 /nfs/dbraw/zinc/46/68/34/457466834.db2.gz YABCUXKADMWNQV-MRXNPFEDSA-N 1 3 333.520 3.282 10 0 EGAEHO Cc1cccc(NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000358386782 457969866 /nfs/dbraw/zinc/96/98/66/457969866.db2.gz SPGRDDWYWVBLNG-FXAWDEMLSA-N 1 3 338.499 3.302 10 0 EGAEHO Cc1cccc(NCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000358386782 457969868 /nfs/dbraw/zinc/96/98/68/457969868.db2.gz SPGRDDWYWVBLNG-FXAWDEMLSA-N 1 3 338.499 3.302 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@@H]2CCC[C@H]21 ZINC000375836117 458086875 /nfs/dbraw/zinc/08/68/75/458086875.db2.gz BCLRLPAUIXREGX-SDDRHHMPSA-N 1 3 333.423 3.167 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@@H]2CCC[C@H]21 ZINC000375836117 458086883 /nfs/dbraw/zinc/08/68/83/458086883.db2.gz BCLRLPAUIXREGX-SDDRHHMPSA-N 1 3 333.423 3.167 10 0 EGAEHO Cc1cnc([C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428289621 458113704 /nfs/dbraw/zinc/11/37/04/458113704.db2.gz KHLQWVAYNCDZTQ-KRWDZBQOSA-N 1 3 339.487 3.480 10 0 EGAEHO CN1CCC[C@H](C[NH2+]C2CCN(C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439467 458371731 /nfs/dbraw/zinc/37/17/31/458371731.db2.gz TZTXAXCOOOEXNW-BEFAXECRSA-N 1 3 333.545 3.347 10 0 EGAEHO C[C@H]([C@H](C)O)[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020406 458516342 /nfs/dbraw/zinc/51/63/42/458516342.db2.gz PGMWQEUQLQLUHK-UWVAXJGDSA-N 1 3 330.516 3.378 10 0 EGAEHO C[C@H]([C@H](C)O)[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020406 458516349 /nfs/dbraw/zinc/51/63/49/458516349.db2.gz PGMWQEUQLQLUHK-UWVAXJGDSA-N 1 3 330.516 3.378 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000464058939 458729981 /nfs/dbraw/zinc/72/99/81/458729981.db2.gz MMUIZNUTWCZENI-MISYRCLQSA-N 1 3 346.515 3.312 10 0 EGAEHO CCc1cccc(Cl)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248165 458730852 /nfs/dbraw/zinc/73/08/52/458730852.db2.gz HPNSFBFCFVVHNN-QGZVFWFLSA-N 1 3 336.907 3.493 10 0 EGAEHO COC(=O)c1ccc(Cl)c(CNC2CCC(C[NH+](C)C)CC2)c1 ZINC000482232656 459297478 /nfs/dbraw/zinc/29/74/78/459297478.db2.gz BNGRCUDYLBYPRB-UHFFFAOYSA-N 1 3 338.879 3.337 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)C1CCCC1 ZINC000482557420 459313439 /nfs/dbraw/zinc/31/34/39/459313439.db2.gz KUFYUQYGMSVEAY-RXVVDRJESA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCCCCC1 ZINC000541542904 459464944 /nfs/dbraw/zinc/46/49/44/459464944.db2.gz IAUCXPKCYUAVJN-QGZVFWFLSA-N 1 3 345.531 3.427 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000600124049 460392736 /nfs/dbraw/zinc/39/27/36/460392736.db2.gz NWWAYZAAJZCVIX-IAGOWNOFSA-N 1 3 347.503 3.106 10 0 EGAEHO CCC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1cc(C)ccn1 ZINC000631565252 460445564 /nfs/dbraw/zinc/44/55/64/460445564.db2.gz DNCXARMVAZNPML-LJQANCHMSA-N 1 3 332.536 3.239 10 0 EGAEHO CCC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1cc(C)ccn1 ZINC000631565247 460446137 /nfs/dbraw/zinc/44/61/37/460446137.db2.gz DNCXARMVAZNPML-IBGZPJMESA-N 1 3 332.536 3.239 10 0 EGAEHO COc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339175 460496736 /nfs/dbraw/zinc/49/67/36/460496736.db2.gz NIRXNHKQUYCXBI-UYAOXDASSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339175 460496742 /nfs/dbraw/zinc/49/67/42/460496742.db2.gz NIRXNHKQUYCXBI-UYAOXDASSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339175 460496746 /nfs/dbraw/zinc/49/67/46/460496746.db2.gz NIRXNHKQUYCXBI-UYAOXDASSA-N 1 3 345.531 3.295 10 0 EGAEHO CCN(CC)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355039 460507093 /nfs/dbraw/zinc/50/70/93/460507093.db2.gz VOXFURYLDZCXDM-UXHICEINSA-N 1 3 331.548 3.402 10 0 EGAEHO CCN(CC)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355039 460507099 /nfs/dbraw/zinc/50/70/99/460507099.db2.gz VOXFURYLDZCXDM-UXHICEINSA-N 1 3 331.548 3.402 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623383178 460520383 /nfs/dbraw/zinc/52/03/83/460520383.db2.gz HPGOFXDXFPWMSW-WOJBJXKFSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623875127 460756573 /nfs/dbraw/zinc/75/65/73/460756573.db2.gz YNSXLPSWUVHHBC-PZJWPPBQSA-N 1 3 345.531 3.136 10 0 EGAEHO CCN1CCN(c2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)c(C)c2)CC1 ZINC000623929347 460783712 /nfs/dbraw/zinc/78/37/12/460783712.db2.gz ZECAZACEYFVQFC-SFHVURJKSA-N 1 3 344.547 3.422 10 0 EGAEHO CCN1CCN(c2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)c(C)c2)CC1 ZINC000623929347 460783720 /nfs/dbraw/zinc/78/37/20/460783720.db2.gz ZECAZACEYFVQFC-SFHVURJKSA-N 1 3 344.547 3.422 10 0 EGAEHO NC1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CCOCC1 ZINC000629525056 460795448 /nfs/dbraw/zinc/79/54/48/460795448.db2.gz QTXTUAAEVJWGFB-CYBMUJFWSA-N 1 3 345.306 3.059 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000629529474 460797407 /nfs/dbraw/zinc/79/74/07/460797407.db2.gz DLSGMZDVEYNNHO-LLVKDONJSA-N 1 3 341.249 3.082 10 0 EGAEHO COc1ccc(-c2nc(C)c([C@@H](C)NCCOCCC[NH3+])s2)cc1 ZINC000629542348 460800451 /nfs/dbraw/zinc/80/04/51/460800451.db2.gz YNLPSFJLGFSSEE-CYBMUJFWSA-N 1 3 349.500 3.143 10 0 EGAEHO FC(F)(F)c1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662251147 461145842 /nfs/dbraw/zinc/14/58/42/461145842.db2.gz ZZUWDNSERLMINZ-MRXNPFEDSA-N 1 3 340.389 3.191 10 0 EGAEHO C[C@@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1cc(F)c(Cl)cc1Cl ZINC000662280822 461162688 /nfs/dbraw/zinc/16/26/88/461162688.db2.gz GBQMUBRVDPRWTE-NXEZZACHSA-N 1 3 333.234 3.304 10 0 EGAEHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293033 461169814 /nfs/dbraw/zinc/16/98/14/461169814.db2.gz IRLKLMFQBYPWLQ-PKOBYXMFSA-N 1 3 343.515 3.342 10 0 EGAEHO CCc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293250 461170916 /nfs/dbraw/zinc/17/09/16/461170916.db2.gz FAOBRXVMQRLIDT-VQIMIIECSA-N 1 3 343.515 3.288 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H](C)O1 ZINC000649721039 461304977 /nfs/dbraw/zinc/30/49/77/461304977.db2.gz IVNXPUSAPDFWIS-XQVPTLPVSA-N 1 3 328.500 3.443 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000633889952 461316982 /nfs/dbraw/zinc/31/69/82/461316982.db2.gz WWXXMAUSSQQHAP-FQEVSTJZSA-N 1 3 345.531 3.279 10 0 EGAEHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646694123 461373481 /nfs/dbraw/zinc/37/34/81/461373481.db2.gz ZHTKOXZVHDIFMY-MOPGFXCFSA-N 1 3 331.504 3.191 10 0 EGAEHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000646694123 461373487 /nfs/dbraw/zinc/37/34/87/461373487.db2.gz ZHTKOXZVHDIFMY-MOPGFXCFSA-N 1 3 331.504 3.191 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C)c2OC)[C@@H](C)C1 ZINC000655810400 461467419 /nfs/dbraw/zinc/46/74/19/461467419.db2.gz KNUOXSAIUMNERE-HKUYNNGSSA-N 1 3 334.504 3.230 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000653044904 461474886 /nfs/dbraw/zinc/47/48/86/461474886.db2.gz IICLSLUSXXDHFJ-KBPBESRZSA-N 1 3 344.377 3.482 10 0 EGAEHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000631073761 461526426 /nfs/dbraw/zinc/52/64/26/461526426.db2.gz ORHONQKFLLGEOM-GOEBONIOSA-N 1 3 341.446 3.246 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000631195126 461634560 /nfs/dbraw/zinc/63/45/60/461634560.db2.gz TTZRGJLGQFXWAO-YZGWKJHDSA-N 1 3 329.532 3.217 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631223268 461653574 /nfs/dbraw/zinc/65/35/74/461653574.db2.gz ZOUSIVOGWNNYIJ-ILMPWQCYSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631223268 461653580 /nfs/dbraw/zinc/65/35/80/461653580.db2.gz ZOUSIVOGWNNYIJ-ILMPWQCYSA-N 1 3 347.300 3.304 10 0 EGAEHO CCn1c2ccccc2nc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544392 461759129 /nfs/dbraw/zinc/75/91/29/461759129.db2.gz ZRMACMWKOJIQIZ-DLBZAZTESA-N 1 3 326.488 3.268 10 0 EGAEHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000639330891 461865087 /nfs/dbraw/zinc/86/50/87/461865087.db2.gz YFQFJOXCBFRWPG-WOJBJXKFSA-N 1 3 328.500 3.303 10 0 EGAEHO COc1cc2c(cc1CN1CCC[C@@H](C3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000656785197 461895192 /nfs/dbraw/zinc/89/51/92/461895192.db2.gz KOUCCGCMMXKQFM-NVXWUHKLSA-N 1 3 344.499 3.230 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761104 461940019 /nfs/dbraw/zinc/94/00/19/461940019.db2.gz SAZQOTRLMVLKPF-NSHDSACASA-N 1 3 349.381 3.064 10 0 EGAEHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC000657308423 462033240 /nfs/dbraw/zinc/03/32/40/462033240.db2.gz SECMTXDWADNFLZ-UHFFFAOYSA-N 1 3 349.482 3.397 10 0 EGAEHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC000657308423 462033246 /nfs/dbraw/zinc/03/32/46/462033246.db2.gz SECMTXDWADNFLZ-UHFFFAOYSA-N 1 3 349.482 3.397 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657313852 462037727 /nfs/dbraw/zinc/03/77/27/462037727.db2.gz VXUAVOAIDCGJFD-OKILXGFUSA-N 1 3 346.441 3.287 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657313852 462037733 /nfs/dbraw/zinc/03/77/33/462037733.db2.gz VXUAVOAIDCGJFD-OKILXGFUSA-N 1 3 346.441 3.287 10 0 EGAEHO CCc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c2ccccc2n1 ZINC000664659289 462142221 /nfs/dbraw/zinc/14/22/21/462142221.db2.gz WMYVNWSHYHVKPG-QGZVFWFLSA-N 1 3 327.472 3.344 10 0 EGAEHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC3(CCCC3)CC2)CC1 ZINC000661228366 462161274 /nfs/dbraw/zinc/16/12/74/462161274.db2.gz QYVHUDOADHRTIT-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc4[nH]ccc4c3)cc2)C1 ZINC000657594855 462196176 /nfs/dbraw/zinc/19/61/76/462196176.db2.gz DOWQKHWEDJKKRD-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4[nH]ccc4c3)cc2)C1 ZINC000657594855 462196180 /nfs/dbraw/zinc/19/61/80/462196180.db2.gz DOWQKHWEDJKKRD-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3coc4ccccc34)cc2)C1 ZINC000657594875 462196803 /nfs/dbraw/zinc/19/68/03/462196803.db2.gz DZOIUNRGINJSGJ-IBGZPJMESA-N 1 3 336.435 3.289 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3coc4ccccc34)cc2)C1 ZINC000657594875 462196810 /nfs/dbraw/zinc/19/68/10/462196810.db2.gz DZOIUNRGINJSGJ-IBGZPJMESA-N 1 3 336.435 3.289 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000657597024 462199775 /nfs/dbraw/zinc/19/97/75/462199775.db2.gz QTVQONXEHDBIIN-IIBYNOLFSA-N 1 3 342.458 3.286 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667970551 462354099 /nfs/dbraw/zinc/35/40/99/462354099.db2.gz MYYLCQFACAQVQZ-KNOXWWKRSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667970551 462354104 /nfs/dbraw/zinc/35/41/04/462354104.db2.gz MYYLCQFACAQVQZ-KNOXWWKRSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667970551 462354105 /nfs/dbraw/zinc/35/41/05/462354105.db2.gz MYYLCQFACAQVQZ-KNOXWWKRSA-N 1 3 340.511 3.444 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658053965 462359834 /nfs/dbraw/zinc/35/98/34/462359834.db2.gz CDZBJFWDAAHRBV-YSIASYRMSA-N 1 3 329.532 3.359 10 0 EGAEHO CO[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCOC1 ZINC000658071955 462368702 /nfs/dbraw/zinc/36/87/02/462368702.db2.gz LBMKQRKXUSGCRU-FUHWJXTLSA-N 1 3 340.552 3.307 10 0 EGAEHO C[C@H]1C[C@@H](NC2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103309 462385504 /nfs/dbraw/zinc/38/55/04/462385504.db2.gz USSYWJBYEMOOOW-GWFLUQINSA-N 1 3 339.487 3.317 10 0 EGAEHO C[C@H]1C[C@@H](NC2CCC([N@@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103309 462385509 /nfs/dbraw/zinc/38/55/09/462385509.db2.gz USSYWJBYEMOOOW-GWFLUQINSA-N 1 3 339.487 3.317 10 0 EGAEHO COc1cccc2cc([C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)oc21 ZINC000658107762 462387783 /nfs/dbraw/zinc/38/77/83/462387783.db2.gz OLKVMZICRGSPTJ-JKSUJKDBSA-N 1 3 347.503 3.364 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143233 462406769 /nfs/dbraw/zinc/40/67/69/462406769.db2.gz GKJGOBBEVMLRBM-QRWLVFNGSA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143233 462406776 /nfs/dbraw/zinc/40/67/76/462406776.db2.gz GKJGOBBEVMLRBM-QRWLVFNGSA-N 1 3 328.431 3.243 10 0 EGAEHO CCCN1CC[C@@H]([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000658284871 462455791 /nfs/dbraw/zinc/45/57/91/462455791.db2.gz HJQGFFFHNVXMDG-GHTZIAJQSA-N 1 3 329.532 3.156 10 0 EGAEHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000351597263 536356758 /nfs/dbraw/zinc/35/67/58/536356758.db2.gz KDDFDTVTFPSXQU-IBGZPJMESA-N 1 3 335.536 3.022 10 0 EGAEHO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1CN1CCCCC1 ZINC000183295199 1295109865 /nfs/dbraw/zinc/10/98/65/1295109865.db2.gz BGRRRQYCDKIACZ-MNEFBYGVSA-N 1 3 332.488 3.245 10 0 EGAEHO C[C@@H](NC(=O)[C@@H](C)N(C)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000872155228 1296774036 /nfs/dbraw/zinc/77/40/36/1296774036.db2.gz OPTRSPPUOIZFGU-HUUCEWRRSA-N 1 3 339.911 3.357 10 0 EGAEHO CC(C)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398079054 1297713577 /nfs/dbraw/zinc/71/35/77/1297713577.db2.gz GKGCCIAICJAQGG-GHTZIAJQSA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000925780789 1325298746 /nfs/dbraw/zinc/29/87/46/1325298746.db2.gz GVBFLNZTSVQCCM-PSASIEDQSA-N 1 3 338.229 3.471 10 0 EGAEHO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886620959 1303527580 /nfs/dbraw/zinc/52/75/80/1303527580.db2.gz XLNFYXTXOZKKIY-ZPAWYTMASA-N 1 3 328.500 3.180 10 0 EGAEHO C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)CCN1c1cc[nH+]cc1 ZINC000895555737 1309398965 /nfs/dbraw/zinc/39/89/65/1309398965.db2.gz BXGQGAVMIOSRJN-HNNXBMFYSA-N 1 3 339.468 3.040 10 0 EGAEHO CSCc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000921858260 1322413189 /nfs/dbraw/zinc/41/31/89/1322413189.db2.gz CJWPIMFTGRJMIZ-UXHICEINSA-N 1 3 348.556 3.407 10 0 EGAEHO C[C@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923501298 1322764032 /nfs/dbraw/zinc/76/40/32/1322764032.db2.gz PZYGXHHAFQGMJZ-JSGCOSHPSA-N 1 3 348.288 3.414 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552327 1322775292 /nfs/dbraw/zinc/77/52/92/1322775292.db2.gz VVPPVQYQYSRWJS-RDJZCZTQSA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552327 1322775296 /nfs/dbraw/zinc/77/52/96/1322775296.db2.gz VVPPVQYQYSRWJS-RDJZCZTQSA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552327 1322775302 /nfs/dbraw/zinc/77/53/02/1322775302.db2.gz VVPPVQYQYSRWJS-RDJZCZTQSA-N 1 3 345.512 3.067 10 0 EGAEHO CN1CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000924791901 1323164281 /nfs/dbraw/zinc/16/42/81/1323164281.db2.gz RXCWPCMPFTVOFC-VTHDOGFWSA-N 1 3 327.516 3.256 10 0 EGAEHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000924938364 1323221855 /nfs/dbraw/zinc/22/18/55/1323221855.db2.gz KYBNENUFXDWPSD-NJYVYQBISA-N 1 3 332.532 3.470 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCN(C(C)C)C2)n(C)n1 ZINC000924960759 1323228422 /nfs/dbraw/zinc/22/84/22/1323228422.db2.gz RVYAZHUOEFZCNC-CMKODMSKSA-N 1 3 332.536 3.150 10 0 EGAEHO CN(C)C1(C)CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000931352163 1329100563 /nfs/dbraw/zinc/10/05/63/1329100563.db2.gz FHEIITSPKCKAPS-UHFFFAOYSA-N 1 3 341.540 3.488 10 0 EGAEHO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc([O-])cc(F)c1 ZINC000925300138 1325117269 /nfs/dbraw/zinc/11/72/69/1325117269.db2.gz HKPLNRWERMRLAF-AWEZNQCLSA-N 1 3 329.419 3.494 10 0 EGAEHO COc1cccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1OC ZINC000925476435 1325167811 /nfs/dbraw/zinc/16/78/11/1325167811.db2.gz BZFPCEWYCAIISU-QZTJIDSGSA-N 1 3 332.488 3.004 10 0 EGAEHO C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535626 1325196918 /nfs/dbraw/zinc/19/69/18/1325196918.db2.gz ZVSFNFIADXDNKR-UGFHNGPFSA-N 1 3 339.277 3.076 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1F ZINC000925618914 1325232688 /nfs/dbraw/zinc/23/26/88/1325232688.db2.gz KOCJGJOLUCBERZ-BKBUGSPTSA-N 1 3 326.431 3.272 10 0 EGAEHO CC(C)[C@@H](COCc1ccccc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777742 1325297267 /nfs/dbraw/zinc/29/72/67/1325297267.db2.gz QGCLGVCJXJKPDS-DLBZAZTESA-N 1 3 326.431 3.062 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925779716 1325298952 /nfs/dbraw/zinc/29/89/52/1325298952.db2.gz OUYBIXVLCKPDPP-ZYHUDNBSSA-N 1 3 338.320 3.481 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(OC(F)(F)F)c1 ZINC000925785702 1325300175 /nfs/dbraw/zinc/30/01/75/1325300175.db2.gz VFNZIWNJWJQRBU-JQWIXIFHSA-N 1 3 338.320 3.481 10 0 EGAEHO [NH3+]C1CCN(CCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000925813617 1325312011 /nfs/dbraw/zinc/31/20/11/1325312011.db2.gz XSAPISIUCLFWEH-UHFFFAOYSA-N 1 3 345.437 3.067 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842049 1325324087 /nfs/dbraw/zinc/32/40/87/1325324087.db2.gz XBDOGQYRKAILHM-RCLSDMTESA-N 1 3 342.483 3.290 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCN(CC3CC3)C2)n(C)n1 ZINC000926737320 1327692783 /nfs/dbraw/zinc/69/27/83/1327692783.db2.gz FMKUSCAYCPHWOD-ZJOUEHCJSA-N 1 3 344.547 3.151 10 0 EGAEHO CC[NH+](CC)Cc1ccc(CNCc2cnc3c(cnn3C)c2)cc1 ZINC000865405326 1329692168 /nfs/dbraw/zinc/69/21/68/1329692168.db2.gz GPCBFKDRRGLXKF-UHFFFAOYSA-N 1 3 337.471 3.100 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001324097977 1387541349 /nfs/dbraw/zinc/54/13/49/1387541349.db2.gz OCKGNVPXJBMZKY-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCc1cccc(CN2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001324670535 1387727642 /nfs/dbraw/zinc/72/76/42/1387727642.db2.gz YYVSEDFXBXPRSF-OAQYLSRUSA-N 1 3 345.531 3.062 10 0 EGAEHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001324797709 1387775868 /nfs/dbraw/zinc/77/58/68/1387775868.db2.gz KJPDXLLYVQWCMH-AZUAARDMSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001325454733 1387977845 /nfs/dbraw/zinc/97/78/45/1387977845.db2.gz GVUIXANHLVQRDF-MJGOQNOKSA-N 1 3 335.536 3.045 10 0 EGAEHO c1ncn(-c2ccccc2CNCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001199045392 1369174307 /nfs/dbraw/zinc/17/43/07/1369174307.db2.gz CHMSVRYAWSUVFB-UHFFFAOYSA-N 1 3 347.466 3.153 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1)N(C)C ZINC001326541965 1388234574 /nfs/dbraw/zinc/23/45/74/1388234574.db2.gz PBZPXEIZMBPUCV-UFYCRDLUSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)cc1C ZINC001327173443 1388421515 /nfs/dbraw/zinc/42/15/15/1388421515.db2.gz QTKZTXULHJUGHY-HXUWFJFHSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)cc1C ZINC001327173443 1388421518 /nfs/dbraw/zinc/42/15/18/1388421518.db2.gz QTKZTXULHJUGHY-HXUWFJFHSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119870 1377196105 /nfs/dbraw/zinc/19/61/05/1377196105.db2.gz OGUHNYOISOFBAH-PMACEKPBSA-N 1 3 345.531 3.401 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119870 1377196106 /nfs/dbraw/zinc/19/61/06/1377196106.db2.gz OGUHNYOISOFBAH-PMACEKPBSA-N 1 3 345.531 3.401 10 0 EGAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394979 1377387557 /nfs/dbraw/zinc/38/75/57/1377387557.db2.gz XKNZDHMYRBXBHU-CVEARBPZSA-N 1 3 342.487 3.141 10 0 EGAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394979 1377387563 /nfs/dbraw/zinc/38/75/63/1377387563.db2.gz XKNZDHMYRBXBHU-CVEARBPZSA-N 1 3 342.487 3.141 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001267657848 1377465074 /nfs/dbraw/zinc/46/50/74/1377465074.db2.gz GIBDBCSHLZXLKO-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001267657848 1377465077 /nfs/dbraw/zinc/46/50/77/1377465077.db2.gz GIBDBCSHLZXLKO-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001270830916 1377614981 /nfs/dbraw/zinc/61/49/81/1377614981.db2.gz UUINGSMMHGSHLQ-AZUAARDMSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1cc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001273131004 1378088395 /nfs/dbraw/zinc/08/83/95/1378088395.db2.gz KADZAIFEVSOCQX-QUCCMNQESA-N 1 3 347.547 3.182 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001275416538 1378140335 /nfs/dbraw/zinc/14/03/35/1378140335.db2.gz WKQXENCOMQOTID-IRXDYDNUSA-N 1 3 345.531 3.277 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285861 1378216442 /nfs/dbraw/zinc/21/64/42/1378216442.db2.gz RGDWVKJQZSOIQF-MJGOQNOKSA-N 1 3 346.519 3.091 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285861 1378216445 /nfs/dbraw/zinc/21/64/45/1378216445.db2.gz RGDWVKJQZSOIQF-MJGOQNOKSA-N 1 3 346.519 3.091 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001327532410 1388553107 /nfs/dbraw/zinc/55/31/07/1388553107.db2.gz XKKAUYQOWQKEOV-OAQYLSRUSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001327532410 1388553110 /nfs/dbraw/zinc/55/31/10/1388553110.db2.gz XKKAUYQOWQKEOV-OAQYLSRUSA-N 1 3 349.563 3.366 10 0 EGAEHO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001282129996 1378478710 /nfs/dbraw/zinc/47/87/10/1378478710.db2.gz VRLZACZURQMEOL-ZWKOTPCHSA-N 1 3 345.531 3.242 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)cc1 ZINC001282167578 1378482791 /nfs/dbraw/zinc/48/27/91/1378482791.db2.gz MHNXBWSBZPLWAO-DLBZAZTESA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)C)C2)N(C)C ZINC001327684953 1388580737 /nfs/dbraw/zinc/58/07/37/1388580737.db2.gz KARKABYRLJEIDX-LJQANCHMSA-N 1 3 331.504 3.005 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)C)C2)N(C)C ZINC001327684953 1388580740 /nfs/dbraw/zinc/58/07/40/1388580740.db2.gz KARKABYRLJEIDX-LJQANCHMSA-N 1 3 331.504 3.005 10 0 EGAEHO CCCCCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001283678054 1379106753 /nfs/dbraw/zinc/10/67/53/1379106753.db2.gz LMCKPMFRGSWVHL-APWZRJJASA-N 1 3 343.531 3.216 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001151359502 1379704818 /nfs/dbraw/zinc/70/48/18/1379704818.db2.gz NZQOLTXSVJFWEO-VQTJNVASSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001151359502 1379704821 /nfs/dbraw/zinc/70/48/21/1379704821.db2.gz NZQOLTXSVJFWEO-VQTJNVASSA-N 1 3 345.531 3.134 10 0 EGAEHO Cc1ccc(C[N@@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)c(C)c1 ZINC001284559801 1379969452 /nfs/dbraw/zinc/96/94/52/1379969452.db2.gz ZHANSNOPSQPQNQ-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO Cc1ccc(C[N@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)c(C)c1 ZINC001284559801 1379969455 /nfs/dbraw/zinc/96/94/55/1379969455.db2.gz ZHANSNOPSQPQNQ-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001284652986 1380067732 /nfs/dbraw/zinc/06/77/32/1380067732.db2.gz OJQOGLXUOMUGOT-SFHVURJKSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)C[NH+]1CCC(C2(NC(=O)[C@@H](C)N3CCCCCC3)CC2)CC1 ZINC001284846593 1380269132 /nfs/dbraw/zinc/26/91/32/1380269132.db2.gz QWIUJIOOMOIBSX-GOSISDBHSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328254022 1388699423 /nfs/dbraw/zinc/69/94/23/1388699423.db2.gz DEOZOGUCDITHDL-VUOWKATKSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328254022 1388699426 /nfs/dbraw/zinc/69/94/26/1388699426.db2.gz DEOZOGUCDITHDL-VUOWKATKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001328620369 1388790647 /nfs/dbraw/zinc/79/06/47/1388790647.db2.gz IPMMUDZXGYNRNN-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001316659623 1384509277 /nfs/dbraw/zinc/50/92/77/1384509277.db2.gz BEROKNWTGHSLQA-RBUKOAKNSA-N 1 3 349.563 3.339 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001316772159 1384570540 /nfs/dbraw/zinc/57/05/40/1384570540.db2.gz IHAJMVIKUKQDEK-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(CC(=O)N(C)C1CC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC001316933397 1384704456 /nfs/dbraw/zinc/70/44/56/1384704456.db2.gz JXVFNBYLVVPCDB-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001317103154 1384866966 /nfs/dbraw/zinc/86/69/66/1384866966.db2.gz DMXSTZIUJQOEQT-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001317103154 1384866969 /nfs/dbraw/zinc/86/69/69/1384866969.db2.gz DMXSTZIUJQOEQT-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001317164639 1384927880 /nfs/dbraw/zinc/92/78/80/1384927880.db2.gz ZGVCXRRVYRZHQF-VQTJNVASSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001317169283 1384934225 /nfs/dbraw/zinc/93/42/25/1384934225.db2.gz YJMXAKCCHPISDC-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1cccc(CN2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001317178281 1384951912 /nfs/dbraw/zinc/95/19/12/1384951912.db2.gz BCUPWGHYLISTCF-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001317195134 1384969338 /nfs/dbraw/zinc/96/93/38/1384969338.db2.gz MAVOTSUQYHKMIJ-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C)N(C)C ZINC001317195014 1384969357 /nfs/dbraw/zinc/96/93/57/1384969357.db2.gz VWNBXKNIHYIISK-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001317415165 1385125106 /nfs/dbraw/zinc/12/51/06/1385125106.db2.gz IUZAYQSGMUZRCQ-CABCVRRESA-N 1 3 339.911 3.226 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001317416328 1385125854 /nfs/dbraw/zinc/12/58/54/1385125854.db2.gz UKLXKNIYCKLFIF-DNVCBOLYSA-N 1 3 349.494 3.028 10 0 EGAEHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC(C)(C)C ZINC001317416103 1385125902 /nfs/dbraw/zinc/12/59/02/1385125902.db2.gz RDPSYUTXYZAETJ-MRXNPFEDSA-N 1 3 333.520 3.282 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@H]2CCCNC(=O)CN(C)C(C)C)c1 ZINC001317434168 1385137937 /nfs/dbraw/zinc/13/79/37/1385137937.db2.gz JUFXMXTVWCBHFV-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@H]2CCCNC(=O)CN(C)C(C)C)c1 ZINC001317434168 1385137939 /nfs/dbraw/zinc/13/79/39/1385137939.db2.gz JUFXMXTVWCBHFV-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CCCC1 ZINC001317544919 1385290408 /nfs/dbraw/zinc/29/04/08/1385290408.db2.gz UUXRCNNPBDFHNG-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CCCC1 ZINC001317544919 1385290413 /nfs/dbraw/zinc/29/04/13/1385290413.db2.gz UUXRCNNPBDFHNG-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC1CC(C)C1)C(C)C ZINC001317708612 1385410644 /nfs/dbraw/zinc/41/06/44/1385410644.db2.gz JIAAYAXJTAXJPE-ACBHZAAOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC1CC(C)C1)C(C)C ZINC001317708612 1385410645 /nfs/dbraw/zinc/41/06/45/1385410645.db2.gz JIAAYAXJTAXJPE-ACBHZAAOSA-N 1 3 337.552 3.124 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCC2=CCCCC2)CC1 ZINC001317868832 1385550949 /nfs/dbraw/zinc/55/09/49/1385550949.db2.gz MEHXMHHSSBFEFD-HXUWFJFHSA-N 1 3 347.547 3.142 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001317868832 1385550955 /nfs/dbraw/zinc/55/09/55/1385550955.db2.gz MEHXMHHSSBFEFD-HXUWFJFHSA-N 1 3 347.547 3.142 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCC1)N(C)C ZINC001318662953 1385822649 /nfs/dbraw/zinc/82/26/49/1385822649.db2.gz CYKPNKPMPAETNG-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1)N1CCCC1 ZINC001318966201 1385901310 /nfs/dbraw/zinc/90/13/10/1385901310.db2.gz RBMABFGVOPEKRX-WGSAOQKQSA-N 1 3 349.563 3.458 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001318976943 1385905665 /nfs/dbraw/zinc/90/56/65/1385905665.db2.gz SFQUPICRNLVUAI-QSLDAMJLSA-N 1 3 337.552 3.338 10 0 EGAEHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990760 1385914585 /nfs/dbraw/zinc/91/45/85/1385914585.db2.gz NITWNVCRLRQDDR-OALUTQOASA-N 1 3 349.494 3.013 10 0 EGAEHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001318990760 1385914589 /nfs/dbraw/zinc/91/45/89/1385914589.db2.gz NITWNVCRLRQDDR-OALUTQOASA-N 1 3 349.494 3.013 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001698621581 1406259355 /nfs/dbraw/zinc/25/93/55/1406259355.db2.gz WSZMXARQXMCHLT-OXQOHEQNSA-N 1 3 345.531 3.061 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC2CCOCC2)CC1 ZINC001319061253 1385949068 /nfs/dbraw/zinc/94/90/68/1385949068.db2.gz VBLBFDKTUISZCN-UHFFFAOYSA-N 1 3 345.531 3.125 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001319661413 1386241136 /nfs/dbraw/zinc/24/11/36/1386241136.db2.gz BHJRPJHUMRDPHC-SFHVURJKSA-N 1 3 348.535 3.352 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCCC1 ZINC001319776588 1386292495 /nfs/dbraw/zinc/29/24/95/1386292495.db2.gz BUGMUUPOVQCGDF-LJQANCHMSA-N 1 3 346.519 3.283 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320156151 1386539823 /nfs/dbraw/zinc/53/98/23/1386539823.db2.gz WOMPJMCHMRJZJM-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177721 1387089344 /nfs/dbraw/zinc/08/93/44/1387089344.db2.gz VOJTWHYFWSHLPD-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177721 1387089346 /nfs/dbraw/zinc/08/93/46/1387089346.db2.gz VOJTWHYFWSHLPD-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001322308261 1387153289 /nfs/dbraw/zinc/15/32/89/1387153289.db2.gz VQUHMWGIDIKENR-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001322308261 1387153291 /nfs/dbraw/zinc/15/32/91/1387153291.db2.gz VQUHMWGIDIKENR-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001329500329 1389131956 /nfs/dbraw/zinc/13/19/56/1389131956.db2.gz HWGLZCCBKDKLSX-SFHVURJKSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001329500329 1389131958 /nfs/dbraw/zinc/13/19/58/1389131958.db2.gz HWGLZCCBKDKLSX-SFHVURJKSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001330650094 1389482698 /nfs/dbraw/zinc/48/26/98/1389482698.db2.gz GAVHWZRVZMWLSD-HNBVOPMISA-N 1 3 345.531 3.127 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001330655304 1389485491 /nfs/dbraw/zinc/48/54/91/1389485491.db2.gz FHOMPXCVWJLUTJ-GUDVDZBRSA-N 1 3 349.563 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342342 1390091718 /nfs/dbraw/zinc/09/17/18/1390091718.db2.gz UCRLYLQVZMKKSX-RTBURBONSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001332960480 1390224877 /nfs/dbraw/zinc/22/48/77/1390224877.db2.gz VAIUIHIZBCKVHX-MOPGFXCFSA-N 1 3 349.563 3.434 10 0 EGAEHO C[NH+](C)CCCC(=O)N1CCCCC[C@H](NCc2ccccc2F)C1 ZINC001479690397 1392321801 /nfs/dbraw/zinc/32/18/01/1392321801.db2.gz OJXRMESXENQQKA-SFHVURJKSA-N 1 3 349.494 3.028 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001479816988 1392409309 /nfs/dbraw/zinc/40/93/09/1392409309.db2.gz YAMFPDXOQJDEKZ-QGZVFWFLSA-N 1 3 349.494 3.201 10 0 EGAEHO CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085176 1392574872 /nfs/dbraw/zinc/57/48/72/1392574872.db2.gz QJALRQNYEDOWBH-RBUKOAKNSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085176 1392574876 /nfs/dbraw/zinc/57/48/76/1392574876.db2.gz QJALRQNYEDOWBH-RBUKOAKNSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189626 1392618947 /nfs/dbraw/zinc/61/89/47/1392618947.db2.gz PYQBDHCDKDMAFA-MSIWKICXSA-N 1 3 344.503 3.012 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189626 1392618948 /nfs/dbraw/zinc/61/89/48/1392618948.db2.gz PYQBDHCDKDMAFA-MSIWKICXSA-N 1 3 344.503 3.012 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccc(Cl)cc1 ZINC001480208140 1392623307 /nfs/dbraw/zinc/62/33/07/1392623307.db2.gz OTMHDWLTIAEMIF-XYPHTWIQSA-N 1 3 349.906 3.122 10 0 EGAEHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccc(F)cc1 ZINC001480515599 1392776082 /nfs/dbraw/zinc/77/60/82/1392776082.db2.gz HYEIKILPWDNBRE-MAUKXSAKSA-N 1 3 349.494 3.246 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742605 1392908206 /nfs/dbraw/zinc/90/82/06/1392908206.db2.gz OIMFPZUTFYFFHA-RTBURBONSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742605 1392908211 /nfs/dbraw/zinc/90/82/11/1392908211.db2.gz OIMFPZUTFYFFHA-RTBURBONSA-N 1 3 345.531 3.319 10 0 EGAEHO CN(CC(=O)N(C)CC[NH2+]CCC1CCCCCC1)CC(C)(C)C ZINC001481280398 1393157576 /nfs/dbraw/zinc/15/75/76/1393157576.db2.gz ZJUABJIPFPOLDH-UHFFFAOYSA-N 1 3 339.568 3.373 10 0 EGAEHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001481315272 1393162491 /nfs/dbraw/zinc/16/24/91/1393162491.db2.gz UNRJBRIGVXSQML-KRWDZBQOSA-N 1 3 345.531 3.189 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001490311047 1393174006 /nfs/dbraw/zinc/17/40/06/1393174006.db2.gz GMBRUBHXJDSFPQ-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001698946996 1406686876 /nfs/dbraw/zinc/68/68/76/1406686876.db2.gz RCVDHHNAQJBLMQ-IIMPKJCBSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462145 1394318177 /nfs/dbraw/zinc/31/81/77/1394318177.db2.gz PZCVQZPIAMRPAL-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462145 1394318183 /nfs/dbraw/zinc/31/81/83/1394318183.db2.gz PZCVQZPIAMRPAL-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001490766148 1394327995 /nfs/dbraw/zinc/32/79/95/1394327995.db2.gz KTLJPUVTKIBQFT-KRWDZBQOSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001490766148 1394327999 /nfs/dbraw/zinc/32/79/99/1394327999.db2.gz KTLJPUVTKIBQFT-KRWDZBQOSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219632 1394478126 /nfs/dbraw/zinc/47/81/26/1394478126.db2.gz VROXHZMQBHRWQI-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219632 1394478127 /nfs/dbraw/zinc/47/81/27/1394478127.db2.gz VROXHZMQBHRWQI-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219633 1394478490 /nfs/dbraw/zinc/47/84/90/1394478490.db2.gz VROXHZMQBHRWQI-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491219633 1394478492 /nfs/dbraw/zinc/47/84/92/1394478492.db2.gz VROXHZMQBHRWQI-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001491681030 1394524397 /nfs/dbraw/zinc/52/43/97/1394524397.db2.gz BAOAYGBJOZSLLP-KRWDZBQOSA-N 1 3 345.531 3.279 10 0 EGAEHO CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001482022759 1394679870 /nfs/dbraw/zinc/67/98/70/1394679870.db2.gz LYASIYCWOMLIAB-FHWLQOOXSA-N 1 3 337.552 3.457 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960353 1406713387 /nfs/dbraw/zinc/71/33/87/1406713387.db2.gz HGQIKLAPRBQHBD-RTBURBONSA-N 1 3 349.563 3.172 10 0 EGAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CCCCC2)CCC1 ZINC001482406734 1394970445 /nfs/dbraw/zinc/97/04/45/1394970445.db2.gz TXANVYNMHXPERN-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)CC[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001482504375 1395057560 /nfs/dbraw/zinc/05/75/60/1395057560.db2.gz NBNGOWSVQUDROV-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CC[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001482504375 1395057564 /nfs/dbraw/zinc/05/75/64/1395057564.db2.gz NBNGOWSVQUDROV-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1)N(CC)CC ZINC001484463441 1395397307 /nfs/dbraw/zinc/39/73/07/1395397307.db2.gz JPGJLCXIWWLKLW-HSALFYBXSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1)N(CC)CC ZINC001484463441 1395397311 /nfs/dbraw/zinc/39/73/11/1395397311.db2.gz JPGJLCXIWWLKLW-HSALFYBXSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001484561921 1395447613 /nfs/dbraw/zinc/44/76/13/1395447613.db2.gz SKPVBDGOZNPNQX-QRWLVFNGSA-N 1 3 349.494 3.186 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001484618509 1395452652 /nfs/dbraw/zinc/45/26/52/1395452652.db2.gz SSUKHMBELVNEBK-UYAOXDASSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001485155789 1395671968 /nfs/dbraw/zinc/67/19/68/1395671968.db2.gz LFYFHFYPGBTSTP-JKSUJKDBSA-N 1 3 343.515 3.031 10 0 EGAEHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)CC1=CCCCC1 ZINC001698992264 1406784013 /nfs/dbraw/zinc/78/40/13/1406784013.db2.gz MXDASDVIVNBDCL-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001494301634 1396424174 /nfs/dbraw/zinc/42/41/74/1396424174.db2.gz YFWYJRKYLWNVQE-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001494301634 1396424177 /nfs/dbraw/zinc/42/41/77/1396424177.db2.gz YFWYJRKYLWNVQE-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001495963719 1396579879 /nfs/dbraw/zinc/57/98/79/1396579879.db2.gz PECWEIJUNIZSDA-SFHVURJKSA-N 1 3 345.531 3.415 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCCC1 ZINC001497278447 1396744308 /nfs/dbraw/zinc/74/43/08/1396744308.db2.gz WMBCHWDVOZCEJI-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001497761993 1396831662 /nfs/dbraw/zinc/83/16/62/1396831662.db2.gz DOHRMYUHVCBUPD-SGQUHAKNSA-N 1 3 335.536 3.093 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189453 1404391814 /nfs/dbraw/zinc/39/18/14/1404391814.db2.gz UDOFJTBASKCFPM-IHHMQQGQSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189453 1404391821 /nfs/dbraw/zinc/39/18/21/1404391821.db2.gz UDOFJTBASKCFPM-IHHMQQGQSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)C1CCC1 ZINC001690383843 1404516928 /nfs/dbraw/zinc/51/69/28/1404516928.db2.gz XDZRWHWDSNDRIB-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1)C1CCC1 ZINC001690383843 1404516930 /nfs/dbraw/zinc/51/69/30/1404516930.db2.gz XDZRWHWDSNDRIB-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690436739 1404558845 /nfs/dbraw/zinc/55/88/45/1404558845.db2.gz PGHJCCZIKDXBTA-ZBWOGFRMSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001690610389 1404651414 /nfs/dbraw/zinc/65/14/14/1404651414.db2.gz MCFOCGPQJCFJFX-APWZRJJASA-N 1 3 343.515 3.033 10 0 EGAEHO CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815475 1404750936 /nfs/dbraw/zinc/75/09/36/1404750936.db2.gz UTQZTIYXPTWOJF-OVKVCFKUSA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815475 1404750938 /nfs/dbraw/zinc/75/09/38/1404750938.db2.gz UTQZTIYXPTWOJF-OVKVCFKUSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1)N(C)C ZINC001690901628 1404809029 /nfs/dbraw/zinc/80/90/29/1404809029.db2.gz JJMGYAKRBPOYAU-RTBURBONSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1)N(C)C ZINC001690901628 1404809034 /nfs/dbraw/zinc/80/90/34/1404809034.db2.gz JJMGYAKRBPOYAU-RTBURBONSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1)N(CC)CC ZINC001691058709 1404980704 /nfs/dbraw/zinc/98/07/04/1404980704.db2.gz OHWLBLYUVNQDDR-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1)N(CC)CC ZINC001691058709 1404980705 /nfs/dbraw/zinc/98/07/05/1404980705.db2.gz OHWLBLYUVNQDDR-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001691272490 1405186151 /nfs/dbraw/zinc/18/61/51/1405186151.db2.gz YJTUYUBIBKNVSA-AZUAARDMSA-N 1 3 345.531 3.018 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CCCC1CCC1 ZINC001691482904 1405296049 /nfs/dbraw/zinc/29/60/49/1405296049.db2.gz ZSUVEFQSQMOKJE-OTWHNJEPSA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CCCC1CCC1 ZINC001691482904 1405296051 /nfs/dbraw/zinc/29/60/51/1405296051.db2.gz ZSUVEFQSQMOKJE-OTWHNJEPSA-N 1 3 337.552 3.122 10 0 EGAEHO C[C@@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691693104 1405427572 /nfs/dbraw/zinc/42/75/72/1405427572.db2.gz ZCUJWLLYXNSERU-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812816 1405525243 /nfs/dbraw/zinc/52/52/43/1405525243.db2.gz DEQYSNUFJXHRAR-LKGOPFMKSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812816 1405525245 /nfs/dbraw/zinc/52/52/45/1405525245.db2.gz DEQYSNUFJXHRAR-LKGOPFMKSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccccc1C[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001732009990 1428224620 /nfs/dbraw/zinc/22/46/20/1428224620.db2.gz RQFBMAZPQGQOMS-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccccc1C[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001732009990 1428224622 /nfs/dbraw/zinc/22/46/22/1428224622.db2.gz RQFBMAZPQGQOMS-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001732303588 1428520788 /nfs/dbraw/zinc/52/07/88/1428520788.db2.gz VFPAYTDPPPOSCO-FQEVSTJZSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068365 1412493832 /nfs/dbraw/zinc/49/38/32/1412493832.db2.gz XPNLAZSTRMVUDS-MOPGFXCFSA-N 1 3 335.536 3.092 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001699309050 1412630635 /nfs/dbraw/zinc/63/06/35/1412630635.db2.gz PSPKWZKTRCLVOB-FPLPWBNLSA-N 1 3 345.531 3.043 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001699697931 1413108589 /nfs/dbraw/zinc/10/85/89/1413108589.db2.gz VRKOMPJODJJKQS-OAQYLSRUSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC001699697931 1413108590 /nfs/dbraw/zinc/10/85/90/1413108590.db2.gz VRKOMPJODJJKQS-OAQYLSRUSA-N 1 3 347.547 3.143 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699774074 1413182359 /nfs/dbraw/zinc/18/23/59/1413182359.db2.gz GPWVOTZNISVATL-IRXDYDNUSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001699862413 1413296917 /nfs/dbraw/zinc/29/69/17/1413296917.db2.gz VJLYLLZVNAJEEV-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001699868721 1413311881 /nfs/dbraw/zinc/31/18/81/1413311881.db2.gz OXVUFSBGOUTSFC-TZIWHRDSSA-N 1 3 345.531 3.054 10 0 EGAEHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001699868721 1413311882 /nfs/dbraw/zinc/31/18/82/1413311882.db2.gz OXVUFSBGOUTSFC-TZIWHRDSSA-N 1 3 345.531 3.054 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558627 1428747241 /nfs/dbraw/zinc/74/72/41/1428747241.db2.gz LQHHCISUTIEEBB-WOJBJXKFSA-N 1 3 345.531 3.100 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1)N(C)C ZINC001700437113 1414005516 /nfs/dbraw/zinc/00/55/16/1414005516.db2.gz COJNRLBLMCCYOM-ACBHZAAOSA-N 1 3 337.552 3.122 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001732584972 1428797082 /nfs/dbraw/zinc/79/70/82/1428797082.db2.gz DWZQGBCBOCWNDC-FQEVSTJZSA-N 1 3 345.531 3.014 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001732584972 1428797087 /nfs/dbraw/zinc/79/70/87/1428797087.db2.gz DWZQGBCBOCWNDC-FQEVSTJZSA-N 1 3 345.531 3.014 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001700769862 1414447780 /nfs/dbraw/zinc/44/77/80/1414447780.db2.gz FMHXXWCEXPWBQA-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001700780639 1414463202 /nfs/dbraw/zinc/46/32/02/1414463202.db2.gz OBNYMRKXRCIGGS-ZWKOTPCHSA-N 1 3 333.520 3.141 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001701010344 1414669054 /nfs/dbraw/zinc/66/90/54/1414669054.db2.gz YAUCWOBCPABCOM-AQIYZVDXSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C2(NC(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001701029609 1414691127 /nfs/dbraw/zinc/69/11/27/1414691127.db2.gz DSKKHGMKCSJRCS-UHFFFAOYSA-N 1 3 349.563 3.291 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001732690401 1428911852 /nfs/dbraw/zinc/91/18/52/1428911852.db2.gz OVJSGKQLYFUFDO-ICSRJNTNSA-N 1 3 345.531 3.161 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CCN2CCCC(C)C)C1 ZINC001707051766 1417164290 /nfs/dbraw/zinc/16/42/90/1417164290.db2.gz SSWWKYZEEZPUTA-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CCN2CCCC(C)C)C1 ZINC001707051766 1417164291 /nfs/dbraw/zinc/16/42/91/1417164291.db2.gz SSWWKYZEEZPUTA-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001707093091 1417198599 /nfs/dbraw/zinc/19/85/99/1417198599.db2.gz LRLNBHBAQYGAJF-UAPYVXQJSA-N 1 3 345.531 3.282 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C/C=C\c2ccccc2)[C@@H]1C ZINC001707263204 1417271906 /nfs/dbraw/zinc/27/19/06/1417271906.db2.gz HADJEWZPOCWSSW-POQYLXETSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C/C=C\c2ccccc2)[C@@H]1C ZINC001707263204 1417271909 /nfs/dbraw/zinc/27/19/09/1417271909.db2.gz HADJEWZPOCWSSW-POQYLXETSA-N 1 3 343.515 3.011 10 0 EGAEHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C)c1ccccc1F ZINC001713027991 1417579484 /nfs/dbraw/zinc/57/94/84/1417579484.db2.gz PMUZCBLIXZIDJM-DLBZAZTESA-N 1 3 349.494 3.057 10 0 EGAEHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](C)c1ccccc1F ZINC001713027991 1417579485 /nfs/dbraw/zinc/57/94/85/1417579485.db2.gz PMUZCBLIXZIDJM-DLBZAZTESA-N 1 3 349.494 3.057 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001713176102 1417748845 /nfs/dbraw/zinc/74/88/45/1417748845.db2.gz ZDXOGQRQXSPJAA-WGSAOQKQSA-N 1 3 331.504 3.035 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001713493625 1418196109 /nfs/dbraw/zinc/19/61/09/1418196109.db2.gz OWUVHXWJXPSLGP-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001713493625 1418196115 /nfs/dbraw/zinc/19/61/15/1418196115.db2.gz OWUVHXWJXPSLGP-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CCC(C)CC1)C1CC1 ZINC001713566356 1418377833 /nfs/dbraw/zinc/37/78/33/1418377833.db2.gz VFACGPHZMORAOW-AFMYVXGZSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CCC(C)CC1)C1CC1 ZINC001713566356 1418377836 /nfs/dbraw/zinc/37/78/36/1418377836.db2.gz VFACGPHZMORAOW-AFMYVXGZSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CCN[C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001713703370 1418462339 /nfs/dbraw/zinc/46/23/39/1418462339.db2.gz AXTKLJHHHRQIMH-FQEVSTJZSA-N 1 3 343.515 3.276 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N(CC)CC ZINC001713830919 1418629431 /nfs/dbraw/zinc/62/94/31/1418629431.db2.gz FXXXKDGGXYTNLW-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(CC)CC ZINC001713830919 1418629432 /nfs/dbraw/zinc/62/94/32/1418629432.db2.gz FXXXKDGGXYTNLW-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240390 1419028957 /nfs/dbraw/zinc/02/89/57/1419028957.db2.gz KQQWSHVHFNJIJJ-XLIONFOSSA-N 1 3 345.531 3.279 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001714274907 1419055467 /nfs/dbraw/zinc/05/54/67/1419055467.db2.gz XBSYMCDNFGMUEB-ZWKOTPCHSA-N 1 3 347.547 3.437 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001714420801 1419156750 /nfs/dbraw/zinc/15/67/50/1419156750.db2.gz UYPATVMQQSROAP-KRWDZBQOSA-N 1 3 345.531 3.020 10 0 EGAEHO C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714751726 1419493988 /nfs/dbraw/zinc/49/39/88/1419493988.db2.gz PRGHDFCDSPJYGG-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001733234226 1429370820 /nfs/dbraw/zinc/37/08/20/1429370820.db2.gz PIGXUSFXPMLPFB-LJQANCHMSA-N 1 3 347.547 3.023 10 0 EGAEHO CCC(CC)C[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001715486220 1420167743 /nfs/dbraw/zinc/16/77/43/1420167743.db2.gz XUHKUVUZXURNRL-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC(CC)C[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001715486220 1420167745 /nfs/dbraw/zinc/16/77/45/1420167745.db2.gz XUHKUVUZXURNRL-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715536080 1420230746 /nfs/dbraw/zinc/23/07/46/1420230746.db2.gz HXNFGRDXWRBLDY-SFHVURJKSA-N 1 3 345.531 3.042 10 0 EGAEHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715536080 1420230747 /nfs/dbraw/zinc/23/07/47/1420230747.db2.gz HXNFGRDXWRBLDY-SFHVURJKSA-N 1 3 345.531 3.042 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001715539926 1420237957 /nfs/dbraw/zinc/23/79/57/1420237957.db2.gz RAHHREUBTYDYBR-QZTJIDSGSA-N 1 3 345.531 3.012 10 0 EGAEHO CC[C@H]([NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001715884663 1420382557 /nfs/dbraw/zinc/38/25/57/1420382557.db2.gz INKNKHXSNHYAPS-DUIUGDAFSA-N 1 3 343.515 3.132 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916497 1420395772 /nfs/dbraw/zinc/39/57/72/1420395772.db2.gz YDEZQMYAZLTAER-LIMHQNJXSA-N 1 3 347.478 3.025 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC2CC2)c1 ZINC001716076114 1420530306 /nfs/dbraw/zinc/53/03/06/1420530306.db2.gz WGACRUICWIMSQT-VQTJNVASSA-N 1 3 343.515 3.036 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001716465590 1420678059 /nfs/dbraw/zinc/67/80/59/1420678059.db2.gz DAQAKQCVBJYOBI-FUHWJXTLSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001716477313 1420692836 /nfs/dbraw/zinc/69/28/36/1420692836.db2.gz FKFYTTJFEKDYDM-UXRNRCMTSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001716477313 1420692837 /nfs/dbraw/zinc/69/28/37/1420692837.db2.gz FKFYTTJFEKDYDM-UXRNRCMTSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001716519934 1420748608 /nfs/dbraw/zinc/74/86/08/1420748608.db2.gz IERSYLRPELXVAN-RTBURBONSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001716708536 1420862468 /nfs/dbraw/zinc/86/24/68/1420862468.db2.gz JJUUAZSSMKKMEO-IHWFROFDSA-N 1 3 347.547 3.186 10 0 EGAEHO CN(C(=O)CCCC[NH+]1CCCC1)C1CN(CC2CCCCCC2)C1 ZINC001716753913 1420905195 /nfs/dbraw/zinc/90/51/95/1420905195.db2.gz BCQRLWVPIHDHHI-UHFFFAOYSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001716893751 1421020136 /nfs/dbraw/zinc/02/01/36/1421020136.db2.gz BNLSOSNCAYXAOD-QUCCMNQESA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001716893751 1421020139 /nfs/dbraw/zinc/02/01/39/1421020139.db2.gz BNLSOSNCAYXAOD-QUCCMNQESA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001716893749 1421020273 /nfs/dbraw/zinc/02/02/73/1421020273.db2.gz BNLSOSNCAYXAOD-AZUAARDMSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001716893749 1421020275 /nfs/dbraw/zinc/02/02/75/1421020275.db2.gz BNLSOSNCAYXAOD-AZUAARDMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCC1 ZINC001717159415 1421149101 /nfs/dbraw/zinc/14/91/01/1421149101.db2.gz ZJSDDKXDWYKDNH-SHCNBLLESA-N 1 3 335.536 3.236 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216037 1421193968 /nfs/dbraw/zinc/19/39/68/1421193968.db2.gz CJTLPQCTDHILPB-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216037 1421193971 /nfs/dbraw/zinc/19/39/71/1421193971.db2.gz CJTLPQCTDHILPB-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001717310071 1421252848 /nfs/dbraw/zinc/25/28/48/1421252848.db2.gz ZYZIMZZATDZVDU-QAZIKRLUSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C1 ZINC001717310071 1421252850 /nfs/dbraw/zinc/25/28/50/1421252850.db2.gz ZYZIMZZATDZVDU-QAZIKRLUSA-N 1 3 337.552 3.290 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCC2CCCCC2)C1 ZINC001717370148 1421308097 /nfs/dbraw/zinc/30/80/97/1421308097.db2.gz CDQRFSDALUVKFI-QUCCMNQESA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CCCCC2)C1 ZINC001717370148 1421308100 /nfs/dbraw/zinc/30/81/00/1421308100.db2.gz CDQRFSDALUVKFI-QUCCMNQESA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001717652687 1421552046 /nfs/dbraw/zinc/55/20/46/1421552046.db2.gz QYTSJIAJQDAQDR-VAMGGRTRSA-N 1 3 347.547 3.236 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCC(C)CC1)C(=O)[C@@H]1CCCN1C ZINC001717946171 1421711114 /nfs/dbraw/zinc/71/11/14/1421711114.db2.gz PFNJBZVOTNWAQS-ACBHZAAOSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCC(C)CC1)C(=O)[C@@H]1CCCN1C ZINC001717946171 1421711116 /nfs/dbraw/zinc/71/11/16/1421711116.db2.gz PFNJBZVOTNWAQS-ACBHZAAOSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001733465525 1429698231 /nfs/dbraw/zinc/69/82/31/1429698231.db2.gz MNKWVQCEJOOXSO-TZIWHRDSSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001733465525 1429698233 /nfs/dbraw/zinc/69/82/33/1429698233.db2.gz MNKWVQCEJOOXSO-TZIWHRDSSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001723333283 1424355234 /nfs/dbraw/zinc/35/52/34/1424355234.db2.gz GNXIQYMLXJEYTJ-PMACEKPBSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC001724342913 1424840426 /nfs/dbraw/zinc/84/04/26/1424840426.db2.gz FMNVBMPTPPXPES-ICSRJNTNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC001724342913 1424840432 /nfs/dbraw/zinc/84/04/32/1424840432.db2.gz FMNVBMPTPPXPES-ICSRJNTNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001724924262 1425314635 /nfs/dbraw/zinc/31/46/35/1425314635.db2.gz XOFSRWQNQZRWEZ-MRXNPFEDSA-N 1 3 331.504 3.005 10 0 EGAEHO CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001724924262 1425314639 /nfs/dbraw/zinc/31/46/39/1425314639.db2.gz XOFSRWQNQZRWEZ-MRXNPFEDSA-N 1 3 331.504 3.005 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001724980248 1425381829 /nfs/dbraw/zinc/38/18/29/1425381829.db2.gz SDXXXCBSAVPPTQ-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001724980248 1425381836 /nfs/dbraw/zinc/38/18/36/1425381836.db2.gz SDXXXCBSAVPPTQ-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058395 1425497645 /nfs/dbraw/zinc/49/76/45/1425497645.db2.gz KKGAFVNBSTWPCU-PXNSSMCTSA-N 1 3 345.531 3.331 10 0 EGAEHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058395 1425497646 /nfs/dbraw/zinc/49/76/46/1425497646.db2.gz KKGAFVNBSTWPCU-PXNSSMCTSA-N 1 3 345.531 3.331 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060244 1425501343 /nfs/dbraw/zinc/50/13/43/1425501343.db2.gz SNYPIHMSULSKCJ-MOPGFXCFSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060244 1425501344 /nfs/dbraw/zinc/50/13/44/1425501344.db2.gz SNYPIHMSULSKCJ-MOPGFXCFSA-N 1 3 345.531 3.319 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)N(C)Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001725191408 1425735532 /nfs/dbraw/zinc/73/55/32/1425735532.db2.gz UYLFGJFFQVETOI-DLBZAZTESA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C)C1CN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269489 1425905352 /nfs/dbraw/zinc/90/53/52/1425905352.db2.gz SDDGQVBOJJSRKH-XLIONFOSSA-N 1 3 347.547 3.044 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001725682307 1426370703 /nfs/dbraw/zinc/37/07/03/1426370703.db2.gz QXKOIDOKMRGLGB-SFHVURJKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001725763687 1426445847 /nfs/dbraw/zinc/44/58/47/1426445847.db2.gz GQOYOSWITISYQS-GOSISDBHSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001725771414 1426455441 /nfs/dbraw/zinc/45/54/41/1426455441.db2.gz OBJXTWVALAMCBN-ROUUACIJSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001725771415 1426455530 /nfs/dbraw/zinc/45/55/30/1426455530.db2.gz OBJXTWVALAMCBN-ZWKOTPCHSA-N 1 3 345.531 3.305 10 0 EGAEHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001725774146 1426457622 /nfs/dbraw/zinc/45/76/22/1426457622.db2.gz DPARAPGNGAAYTF-ROUUACIJSA-N 1 3 347.547 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001731466912 1427445223 /nfs/dbraw/zinc/44/52/23/1427445223.db2.gz OPXGPBXWPHDYGC-YQQQUEKLSA-N 1 3 335.536 3.019 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001731466912 1427445224 /nfs/dbraw/zinc/44/52/24/1427445224.db2.gz OPXGPBXWPHDYGC-YQQQUEKLSA-N 1 3 335.536 3.019 10 0 EGAEHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001731565433 1427604215 /nfs/dbraw/zinc/60/42/15/1427604215.db2.gz KXQYEPGIUQQKAV-HVTXLIOJSA-N 1 3 347.547 3.042 10 0 EGAEHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001731565433 1427604219 /nfs/dbraw/zinc/60/42/19/1427604219.db2.gz KXQYEPGIUQQKAV-HVTXLIOJSA-N 1 3 347.547 3.042 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001731854094 1428086168 /nfs/dbraw/zinc/08/61/68/1428086168.db2.gz CBJYOMNRNOAJAS-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001731854094 1428086174 /nfs/dbraw/zinc/08/61/74/1428086174.db2.gz CBJYOMNRNOAJAS-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)C1 ZINC001733689511 1429905278 /nfs/dbraw/zinc/90/52/78/1429905278.db2.gz DDWBSVUFCZIUSD-BZSNNMDCSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CCC1 ZINC001733728386 1429958434 /nfs/dbraw/zinc/95/84/34/1429958434.db2.gz UFXNQCPJNDYBES-UHFFFAOYSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001734034223 1437822159 /nfs/dbraw/zinc/82/21/59/1437822159.db2.gz ICQCELFABLALJU-HKUYNNGSSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001734034223 1437822160 /nfs/dbraw/zinc/82/21/60/1437822160.db2.gz ICQCELFABLALJU-HKUYNNGSSA-N 1 3 349.563 3.266 10 0 EGAEHO CC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001734104452 1437890048 /nfs/dbraw/zinc/89/00/48/1437890048.db2.gz UFDWHNPBNPOHAB-CTWPCTMYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CC(C[N@H+]2CCCCC[C@@H]2CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001734104452 1437890049 /nfs/dbraw/zinc/89/00/49/1437890049.db2.gz UFDWHNPBNPOHAB-CTWPCTMYSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]2C1 ZINC001734195524 1437936425 /nfs/dbraw/zinc/93/64/25/1437936425.db2.gz XXRGXZANDQRENB-XUVXKRRUSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C1 ZINC001734195524 1437936427 /nfs/dbraw/zinc/93/64/27/1437936427.db2.gz XXRGXZANDQRENB-XUVXKRRUSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)Cc2nc[nH]c2C)c(C)s1 ZINC001734262120 1437979899 /nfs/dbraw/zinc/97/98/99/1437979899.db2.gz WWBILKPVVHARIP-LBPRGKRZSA-N 1 3 348.516 3.014 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001734285446 1438013374 /nfs/dbraw/zinc/01/33/74/1438013374.db2.gz SQYYSMLNVDOFKU-ICSRJNTNSA-N 1 3 345.531 3.498 10 0 EGAEHO CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001734425566 1438091332 /nfs/dbraw/zinc/09/13/32/1438091332.db2.gz BYEQWPXZIGCYKI-PXNSSMCTSA-N 1 3 345.531 3.058 10 0 EGAEHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734579666 1438171997 /nfs/dbraw/zinc/17/19/97/1438171997.db2.gz HQEQXGKSFLLJBU-QZTJIDSGSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734587165 1438177018 /nfs/dbraw/zinc/17/70/18/1438177018.db2.gz HQEQXGKSFLLJBU-ROUUACIJSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001734611764 1438187176 /nfs/dbraw/zinc/18/71/76/1438187176.db2.gz LERDGSVMVUBBOQ-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO CN1CC[C@@H]([NH2+]CCCN2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000340289022 283058827 /nfs/dbraw/zinc/05/88/27/283058827.db2.gz UBGJVXPZDVPDMW-RTBURBONSA-N 1 3 337.458 3.176 10 0 EGAEHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000341259882 141145692 /nfs/dbraw/zinc/14/56/92/141145692.db2.gz LRDPOZKDYYLJTL-HOTGVXAUSA-N 1 3 332.492 3.133 10 0 EGAEHO C[NH+](C)CC1(CNC(=O)c2cccc(CN3CCCC3)c2)CCCC1 ZINC000185081902 144104421 /nfs/dbraw/zinc/10/44/21/144104421.db2.gz WDIRTUFDRKTEQD-UHFFFAOYSA-N 1 3 343.515 3.134 10 0 EGAEHO CC(C)C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000341061504 155131338 /nfs/dbraw/zinc/13/13/38/155131338.db2.gz OVCAUUPCIZSZQB-FQEVSTJZSA-N 1 3 343.515 3.106 10 0 EGAEHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000349131035 156363016 /nfs/dbraw/zinc/36/30/16/156363016.db2.gz PGKAWNRDSOHCLZ-QGZVFWFLSA-N 1 3 342.512 3.369 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000346148196 164349722 /nfs/dbraw/zinc/34/97/22/164349722.db2.gz WLEMSIDYXJFKAG-UHFFFAOYSA-N 1 3 341.503 3.130 10 0 EGAEHO CC(C)CN1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352095780 165233760 /nfs/dbraw/zinc/23/37/60/165233760.db2.gz ASSXBHPFNQNHEV-UHFFFAOYSA-N 1 3 326.488 3.297 10 0 EGAEHO c1c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000355207001 166133490 /nfs/dbraw/zinc/13/34/90/166133490.db2.gz WNOQDXXJEZAIER-GOSISDBHSA-N 1 3 347.466 3.083 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367585585 168245113 /nfs/dbraw/zinc/24/51/13/168245113.db2.gz DQSQSESIQPPARG-CEXWTWQISA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367585585 168245115 /nfs/dbraw/zinc/24/51/15/168245115.db2.gz DQSQSESIQPPARG-CEXWTWQISA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367585585 168245117 /nfs/dbraw/zinc/24/51/17/168245117.db2.gz DQSQSESIQPPARG-CEXWTWQISA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000353456982 277169722 /nfs/dbraw/zinc/16/97/22/277169722.db2.gz XOVRBXDNPYNCBT-PCCBWWKXSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414303599 309071643 /nfs/dbraw/zinc/07/16/43/309071643.db2.gz LSBNBPRNHBZYKI-AQNXPRMDSA-N 1 3 328.500 3.182 10 0 EGAEHO C[C@@H](CCC(F)(F)F)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311462 309072247 /nfs/dbraw/zinc/07/22/47/309072247.db2.gz VBEFLOXTAKRFSR-HNNXBMFYSA-N 1 3 344.421 3.334 10 0 EGAEHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000414327079 309073097 /nfs/dbraw/zinc/07/30/97/309073097.db2.gz BETJWCVHCUTJAB-CDJZJNNCSA-N 1 3 342.527 3.428 10 0 EGAEHO CN(C[C@@H](O)C1CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249032519 308017347 /nfs/dbraw/zinc/01/73/47/308017347.db2.gz FKXAEAJWXROPLE-TZIWHRDSSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@@H](O)C1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249032519 308017348 /nfs/dbraw/zinc/01/73/48/308017348.db2.gz FKXAEAJWXROPLE-TZIWHRDSSA-N 1 3 330.516 3.382 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415129445 309122473 /nfs/dbraw/zinc/12/24/73/309122473.db2.gz UXVBGAYGAHWCSV-OALUTQOASA-N 1 3 332.488 3.030 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000415994813 309153670 /nfs/dbraw/zinc/15/36/70/309153670.db2.gz ISTMLNDYTWLCPB-HNNXBMFYSA-N 1 3 330.476 3.066 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000415994813 309153671 /nfs/dbraw/zinc/15/36/71/309153671.db2.gz ISTMLNDYTWLCPB-HNNXBMFYSA-N 1 3 330.476 3.066 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369814 309284659 /nfs/dbraw/zinc/28/46/59/309284659.db2.gz JASUVVIQBIQINH-FQELHTAISA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369814 309284660 /nfs/dbraw/zinc/28/46/60/309284660.db2.gz JASUVVIQBIQINH-FQELHTAISA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369814 309284661 /nfs/dbraw/zinc/28/46/61/309284661.db2.gz JASUVVIQBIQINH-FQELHTAISA-N 1 3 340.467 3.062 10 0 EGAEHO CON1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000421408390 309323502 /nfs/dbraw/zinc/32/35/02/309323502.db2.gz KWCABHZMMQYZSO-UHFFFAOYSA-N 1 3 325.541 3.281 10 0 EGAEHO CON1CCC([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000421408390 309323503 /nfs/dbraw/zinc/32/35/03/309323503.db2.gz KWCABHZMMQYZSO-UHFFFAOYSA-N 1 3 325.541 3.281 10 0 EGAEHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711632 309364233 /nfs/dbraw/zinc/36/42/33/309364233.db2.gz HFNPSHYGZHZGRM-NXWXRZEISA-N 1 3 347.572 3.395 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422818254 309370080 /nfs/dbraw/zinc/37/00/80/309370080.db2.gz FUPILCVWGROANO-ZDUSSCGKSA-N 1 3 341.455 3.206 10 0 EGAEHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818904 309370247 /nfs/dbraw/zinc/37/02/47/309370247.db2.gz HJMLQAHQACNUMC-QHAWAJNXSA-N 1 3 338.499 3.315 10 0 EGAEHO c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)cc2)c1 ZINC000422818904 309370248 /nfs/dbraw/zinc/37/02/48/309370248.db2.gz HJMLQAHQACNUMC-QHAWAJNXSA-N 1 3 338.499 3.315 10 0 EGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903969 309375368 /nfs/dbraw/zinc/37/53/68/309375368.db2.gz GEJDFMRAQUBXNA-KHYOSLBOSA-N 1 3 337.458 3.036 10 0 EGAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903969 309375369 /nfs/dbraw/zinc/37/53/69/309375369.db2.gz GEJDFMRAQUBXNA-KHYOSLBOSA-N 1 3 337.458 3.036 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422923226 309376204 /nfs/dbraw/zinc/37/62/04/309376204.db2.gz VIYSGEAQWJRPPS-WWVJOHPTSA-N 1 3 325.456 3.453 10 0 EGAEHO CCCC(O)(CCC)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974385 309379163 /nfs/dbraw/zinc/37/91/63/309379163.db2.gz DWJQSTOJEGSMPV-XLIONFOSSA-N 1 3 332.488 3.163 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995717 309379922 /nfs/dbraw/zinc/37/99/22/309379922.db2.gz YWAUFWGZMQFTCO-UAGQMJEPSA-N 1 3 344.421 3.106 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033671 309381980 /nfs/dbraw/zinc/38/19/80/309381980.db2.gz ZPCRZRFPAVLKGL-HKUYNNGSSA-N 1 3 347.890 3.362 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423045227 309382736 /nfs/dbraw/zinc/38/27/36/309382736.db2.gz CPILCEMDVJTKDB-WJPUGNRLSA-N 1 3 338.499 3.020 10 0 EGAEHO Clc1cccc2c1CCN(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423053918 309383426 /nfs/dbraw/zinc/38/34/26/309383426.db2.gz BGMPALPFKUSCRY-MISYRCLQSA-N 1 3 347.934 3.208 10 0 EGAEHO CC[C@@H](N[C@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058403 309383575 /nfs/dbraw/zinc/38/35/75/309383575.db2.gz CBUPWIAUQWQSBJ-HUUCEWRRSA-N 1 3 347.272 3.383 10 0 EGAEHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093083 309385609 /nfs/dbraw/zinc/38/56/09/309385609.db2.gz FSJFIFOXWFAESN-YIKOMLBNSA-N 1 3 327.241 3.304 10 0 EGAEHO COc1ccc2c(c1)[C@@H](NCCC[NH2+]Cc1cccnc1)CCC2 ZINC000423192688 309389943 /nfs/dbraw/zinc/38/99/43/309389943.db2.gz VTCMNFSGSZDXSO-FQEVSTJZSA-N 1 3 325.456 3.237 10 0 EGAEHO C[C@H](NCC1([NH3+])CCCCCC1)c1cccc(OCCN(C)C)c1 ZINC000423207602 309390441 /nfs/dbraw/zinc/39/04/41/309390441.db2.gz XQHBRAWKKLZSLK-KRWDZBQOSA-N 1 3 333.520 3.329 10 0 EGAEHO N[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232726 309391509 /nfs/dbraw/zinc/39/15/09/309391509.db2.gz CSWNYBYKXZPQSJ-CIAFKFPVSA-N 1 3 335.495 3.472 10 0 EGAEHO N[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232726 309391510 /nfs/dbraw/zinc/39/15/10/309391510.db2.gz CSWNYBYKXZPQSJ-CIAFKFPVSA-N 1 3 335.495 3.472 10 0 EGAEHO CCC([NH3+])(CC)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000423290256 309394143 /nfs/dbraw/zinc/39/41/43/309394143.db2.gz CNWIABVOVIZZOB-ZDUSSCGKSA-N 1 3 325.294 3.414 10 0 EGAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423363222 309397065 /nfs/dbraw/zinc/39/70/65/309397065.db2.gz BPFODKOKCCONMV-CSMYWGQOSA-N 1 3 337.305 3.358 10 0 EGAEHO CNC(=O)C(C)(C)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449209137 310044728 /nfs/dbraw/zinc/04/47/28/310044728.db2.gz RXNBBMFBOAQTPJ-UHFFFAOYSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CF)CCOCC2)CC1 ZINC000449488244 310066341 /nfs/dbraw/zinc/06/63/41/310066341.db2.gz FCLPDYOEFRHWLS-SJLPKXTDSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488244 310066342 /nfs/dbraw/zinc/06/63/42/310066342.db2.gz FCLPDYOEFRHWLS-SJLPKXTDSA-N 1 3 326.500 3.385 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449509178 310067903 /nfs/dbraw/zinc/06/79/03/310067903.db2.gz ITTWYPGQOBLADM-WZGPROSRSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449509178 310067904 /nfs/dbraw/zinc/06/79/04/310067904.db2.gz ITTWYPGQOBLADM-WZGPROSRSA-N 1 3 336.520 3.351 10 0 EGAEHO O=C([C@H]1CCCCN1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000449853656 310090727 /nfs/dbraw/zinc/09/07/27/310090727.db2.gz WGAUWUQZIHNCGC-WOJBJXKFSA-N 1 3 347.547 3.260 10 0 EGAEHO CCc1cc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc[nH+]1 ZINC000450496742 310126468 /nfs/dbraw/zinc/12/64/68/310126468.db2.gz ZFZQTRWITIRVTI-UHFFFAOYSA-N 1 3 327.394 3.283 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@H](NCC3=CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453280646 310269062 /nfs/dbraw/zinc/26/90/62/310269062.db2.gz FYPSUNQLHRTVEO-NJYVYQBISA-N 1 3 326.484 3.366 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@H](NCC3=CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453280646 310269063 /nfs/dbraw/zinc/26/90/63/310269063.db2.gz FYPSUNQLHRTVEO-NJYVYQBISA-N 1 3 326.484 3.366 10 0 EGAEHO CC[C@@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684013 312215107 /nfs/dbraw/zinc/21/51/07/312215107.db2.gz OCTFYCHMMPCMQN-FPOVZHCZSA-N 1 3 329.532 3.282 10 0 EGAEHO CC[C@@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000513684013 312215108 /nfs/dbraw/zinc/21/51/08/312215108.db2.gz OCTFYCHMMPCMQN-FPOVZHCZSA-N 1 3 329.532 3.282 10 0 EGAEHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000513761396 312217319 /nfs/dbraw/zinc/21/73/19/312217319.db2.gz MWKMPDQNMPMAKJ-CBPXPLCBSA-N 1 3 343.559 3.402 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000516570628 312330366 /nfs/dbraw/zinc/33/03/66/312330366.db2.gz CNHQJVIGCMENLE-WFASDCNBSA-N 1 3 329.469 3.053 10 0 EGAEHO CC(C)Oc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240383 313504365 /nfs/dbraw/zinc/50/43/65/313504365.db2.gz LIAKYRPNNBDTSO-LJQANCHMSA-N 1 3 332.488 3.064 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1=CCN(C)CC1 ZINC000540606192 314392172 /nfs/dbraw/zinc/39/21/72/314392172.db2.gz HBTWHENJCNGLDE-GFCCVEGCSA-N 1 3 341.268 3.371 10 0 EGAEHO CO[C@@](C)(CN[C@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563981 460614708 /nfs/dbraw/zinc/61/47/08/460614708.db2.gz OTLJZOCZNAFGAK-ICSRJNTNSA-N 1 3 334.504 3.071 10 0 EGAEHO CO[C@@](C)(CN[C@H]1CC[N@@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563981 460614714 /nfs/dbraw/zinc/61/47/14/460614714.db2.gz OTLJZOCZNAFGAK-ICSRJNTNSA-N 1 3 334.504 3.071 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCCC(C)(C)CO)CC1 ZINC000088728665 454117832 /nfs/dbraw/zinc/11/78/32/454117832.db2.gz YGLXJZNFBMSOSJ-UHFFFAOYSA-N 1 3 347.547 3.107 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154277411 454881046 /nfs/dbraw/zinc/88/10/46/454881046.db2.gz JFKZVQSQYFPKDW-HXUWFJFHSA-N 1 3 345.531 3.134 10 0 EGAEHO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(OCCN(C)C)cc1 ZINC000154918128 454942780 /nfs/dbraw/zinc/94/27/80/454942780.db2.gz XROOSSJTJBLGML-INIZCTEOSA-N 1 3 328.456 3.226 10 0 EGAEHO C[C@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)cc1 ZINC000127992333 455016544 /nfs/dbraw/zinc/01/65/44/455016544.db2.gz PWLXJJBEKLUIRA-GOSISDBHSA-N 1 3 347.522 3.469 10 0 EGAEHO CCSCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000119186157 455130801 /nfs/dbraw/zinc/13/08/01/455130801.db2.gz YQKIIMQSEJCZJD-IBGZPJMESA-N 1 3 336.545 3.117 10 0 EGAEHO CCSCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000119186157 455130805 /nfs/dbraw/zinc/13/08/05/455130805.db2.gz YQKIIMQSEJCZJD-IBGZPJMESA-N 1 3 336.545 3.117 10 0 EGAEHO C[C@@H]1CCCCN1CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000156618146 455138251 /nfs/dbraw/zinc/13/82/51/455138251.db2.gz ZWSPRJAMVQKJAV-GOSISDBHSA-N 1 3 347.522 3.297 10 0 EGAEHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000180461852 455174584 /nfs/dbraw/zinc/17/45/84/455174584.db2.gz HOJOIOMUOYDJNY-MJGOQNOKSA-N 1 3 349.906 3.074 10 0 EGAEHO CCN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000192692191 455669739 /nfs/dbraw/zinc/66/97/39/455669739.db2.gz NHVHKZNIZXBPMF-WVVQBRDUSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@@H](NCCCC[NH+](C)C)c1ccccc1I ZINC000269056267 455777824 /nfs/dbraw/zinc/77/78/24/455777824.db2.gz WUHXXCVHOMVAAV-GFCCVEGCSA-N 1 3 346.256 3.284 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccsc1 ZINC000268989287 455755522 /nfs/dbraw/zinc/75/55/22/455755522.db2.gz GOKYCUSPAKTDIN-LZQZEXGQSA-N 1 3 330.497 3.282 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccsc1 ZINC000268989287 455755525 /nfs/dbraw/zinc/75/55/25/455755525.db2.gz GOKYCUSPAKTDIN-LZQZEXGQSA-N 1 3 330.497 3.282 10 0 EGAEHO CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261777735 455946491 /nfs/dbraw/zinc/94/64/91/455946491.db2.gz JWJHHZSERQNDHZ-MOPGFXCFSA-N 1 3 340.467 3.268 10 0 EGAEHO FC(F)(F)COCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262302953 456022315 /nfs/dbraw/zinc/02/23/15/456022315.db2.gz BBDKIYVLOJGYLP-CQSZACIVSA-N 1 3 348.434 3.271 10 0 EGAEHO NCc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035807 456081002 /nfs/dbraw/zinc/08/10/02/456081002.db2.gz VBBFPGAOEGGURI-CQDKDKBSSA-N 1 3 341.377 3.023 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CC=CCC2)C3)cc1 ZINC000280959771 456092980 /nfs/dbraw/zinc/09/29/80/456092980.db2.gz KJABGBXCQGAYKS-MZADTFQBSA-N 1 3 325.500 3.034 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2CC=CCC2)C3)cc1 ZINC000280959771 456092985 /nfs/dbraw/zinc/09/29/85/456092985.db2.gz KJABGBXCQGAYKS-MZADTFQBSA-N 1 3 325.500 3.034 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCN2CC=CCC2)C3)cc1 ZINC000280959771 456092991 /nfs/dbraw/zinc/09/29/91/456092991.db2.gz KJABGBXCQGAYKS-MZADTFQBSA-N 1 3 325.500 3.034 10 0 EGAEHO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c2cc(F)ccc2n1 ZINC000301666203 456179188 /nfs/dbraw/zinc/17/91/88/456179188.db2.gz LSPQNXIIXMHUTD-UHFFFAOYSA-N 1 3 330.451 3.120 10 0 EGAEHO Cc1cc(NC2CCN(CC[NH+](C)C)CC2)c2cc(F)ccc2n1 ZINC000301666203 456179192 /nfs/dbraw/zinc/17/91/92/456179192.db2.gz LSPQNXIIXMHUTD-UHFFFAOYSA-N 1 3 330.451 3.120 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333882283 456271479 /nfs/dbraw/zinc/27/14/79/456271479.db2.gz UUOQEMAVKFWFOE-XLIONFOSSA-N 1 3 325.456 3.184 10 0 EGAEHO c1ccc(CN2C[C@@H](C[NH2+][C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464602 456476436 /nfs/dbraw/zinc/47/64/36/456476436.db2.gz GQWCEZXHNRFCLZ-RTBURBONSA-N 1 3 346.540 3.010 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000340475721 456482653 /nfs/dbraw/zinc/48/26/53/456482653.db2.gz NJIGISAJIRFTLB-FQEVSTJZSA-N 1 3 341.503 3.223 10 0 EGAEHO CC(C)(CNC(=O)c1cccc(CN2CCCC2)c1)C[NH+]1CCCC1 ZINC000276864004 456603574 /nfs/dbraw/zinc/60/35/74/456603574.db2.gz MVPCKWVNLPGTPC-UHFFFAOYSA-N 1 3 343.515 3.134 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000353404311 456678827 /nfs/dbraw/zinc/67/88/27/456678827.db2.gz OHZQUHPSGICXBC-CWRNSKLLSA-N 1 3 336.863 3.074 10 0 EGAEHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CNCc2ccccc21 ZINC000327266151 456705063 /nfs/dbraw/zinc/70/50/63/456705063.db2.gz RBNDJVLTNPLDEC-HXUWFJFHSA-N 1 3 335.451 3.108 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@@H]21 ZINC000353633651 456817771 /nfs/dbraw/zinc/81/77/71/456817771.db2.gz SZEZYTQYQAZBGK-BQFCYCMXSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@@H]21 ZINC000353633651 456817772 /nfs/dbraw/zinc/81/77/72/456817772.db2.gz SZEZYTQYQAZBGK-BQFCYCMXSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000349970699 457127377 /nfs/dbraw/zinc/12/73/77/457127377.db2.gz XVDBUDRARMDKMK-FQEVSTJZSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000349970699 457127379 /nfs/dbraw/zinc/12/73/79/457127379.db2.gz XVDBUDRARMDKMK-FQEVSTJZSA-N 1 3 343.515 3.032 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000373869055 457377302 /nfs/dbraw/zinc/37/73/02/457377302.db2.gz TYYMNEAUXJCOSG-NBMJBFSESA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000373869055 457377307 /nfs/dbraw/zinc/37/73/07/457377307.db2.gz TYYMNEAUXJCOSG-NBMJBFSESA-N 1 3 336.520 3.351 10 0 EGAEHO c1ccc(COC[C@H]2CC[N@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000384175604 457426058 /nfs/dbraw/zinc/42/60/58/457426058.db2.gz YRKYANWBSJBJEO-IBGZPJMESA-N 1 3 336.479 3.371 10 0 EGAEHO c1ccc(COC[C@H]2CC[N@@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000384175604 457426072 /nfs/dbraw/zinc/42/60/72/457426072.db2.gz YRKYANWBSJBJEO-IBGZPJMESA-N 1 3 336.479 3.371 10 0 EGAEHO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000342709486 457471710 /nfs/dbraw/zinc/47/17/10/457471710.db2.gz MLIOJYJEDQSZRM-INIZCTEOSA-N 1 3 333.520 3.282 10 0 EGAEHO C[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1F)CN(C)C ZINC000425940664 457655974 /nfs/dbraw/zinc/65/59/74/457655974.db2.gz AGQFVOGNAPJKGY-NEPJUHHUSA-N 1 3 331.273 3.307 10 0 EGAEHO C[C@H](CN[C@@H](C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000425940664 457655981 /nfs/dbraw/zinc/65/59/81/457655981.db2.gz AGQFVOGNAPJKGY-NEPJUHHUSA-N 1 3 331.273 3.307 10 0 EGAEHO Cc1nc2ccccc2n1CCCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000361295365 457682949 /nfs/dbraw/zinc/68/29/49/457682949.db2.gz JOLHYMSSSDNINA-SFHVURJKSA-N 1 3 328.504 3.399 10 0 EGAEHO Cc1ccsc1[C@H](CO)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396694 457977106 /nfs/dbraw/zinc/97/71/06/457977106.db2.gz JAZFIOFHONWRCZ-QAPCUYQASA-N 1 3 348.512 3.381 10 0 EGAEHO CC(C)(C)C[C@@H]1CC[N@H+](CC(=O)NC2CCN(C3CC3)CC2)C1(C)C ZINC000412035696 458057101 /nfs/dbraw/zinc/05/71/01/458057101.db2.gz LLDJHKMJNBXQEC-INIZCTEOSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)(C)C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C3CC3)CC2)C1(C)C ZINC000412035696 458057107 /nfs/dbraw/zinc/05/71/07/458057107.db2.gz LLDJHKMJNBXQEC-INIZCTEOSA-N 1 3 349.563 3.266 10 0 EGAEHO COc1cccc(CC[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000358770611 458205771 /nfs/dbraw/zinc/20/57/71/458205771.db2.gz JKMRPOVHOYBJPD-APWZRJJASA-N 1 3 331.504 3.265 10 0 EGAEHO OC[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000447578156 458315150 /nfs/dbraw/zinc/31/51/50/458315150.db2.gz DAHBRACJOIFKNF-VQHPVUNQSA-N 1 3 342.405 3.085 10 0 EGAEHO FC(F)(F)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447600079 458319603 /nfs/dbraw/zinc/31/96/03/458319603.db2.gz LQJDHRVMJOFPTF-MUJYYYPQSA-N 1 3 328.378 3.308 10 0 EGAEHO FC(F)(F)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447600079 458319608 /nfs/dbraw/zinc/31/96/08/458319608.db2.gz LQJDHRVMJOFPTF-MUJYYYPQSA-N 1 3 328.378 3.308 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000377113228 458466502 /nfs/dbraw/zinc/46/65/02/458466502.db2.gz IYYFBFROYYHTKG-NRFANRHFSA-N 1 3 329.532 3.066 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000377113228 458466506 /nfs/dbraw/zinc/46/65/06/458466506.db2.gz IYYFBFROYYHTKG-NRFANRHFSA-N 1 3 329.532 3.066 10 0 EGAEHO C[C@H](O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020409 458516410 /nfs/dbraw/zinc/51/64/10/458516410.db2.gz PGMWQEUQLQLUHK-ZWOKBUDYSA-N 1 3 330.516 3.378 10 0 EGAEHO C[C@H](O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020409 458516414 /nfs/dbraw/zinc/51/64/14/458516414.db2.gz PGMWQEUQLQLUHK-ZWOKBUDYSA-N 1 3 330.516 3.378 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562324 458589010 /nfs/dbraw/zinc/58/90/10/458589010.db2.gz BVEPJWDBZIRATI-VQTJNVASSA-N 1 3 345.531 3.450 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431562324 458589016 /nfs/dbraw/zinc/58/90/16/458589016.db2.gz BVEPJWDBZIRATI-VQTJNVASSA-N 1 3 345.531 3.450 10 0 EGAEHO CC(C)C[C@H](CNC1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000424332986 458617930 /nfs/dbraw/zinc/61/79/30/458617930.db2.gz VVINXSITTLSHGQ-MRXNPFEDSA-N 1 3 326.525 3.453 10 0 EGAEHO Cc1nc2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2s1 ZINC000494188688 458637164 /nfs/dbraw/zinc/63/71/64/458637164.db2.gz LNUKYYBEXFCBJX-MSOLQXFVSA-N 1 3 345.512 3.072 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502115 459065185 /nfs/dbraw/zinc/06/51/85/459065185.db2.gz FJCHOIYHKHWYOM-DNVCBOLYSA-N 1 3 330.472 3.172 10 0 EGAEHO OCc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000558559527 459173984 /nfs/dbraw/zinc/17/39/84/459173984.db2.gz HWACWPGJTNNPHW-KOUNCHBCSA-N 1 3 336.479 3.464 10 0 EGAEHO CC1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615848 459210061 /nfs/dbraw/zinc/21/00/61/459210061.db2.gz UANUXUCLEMEBHT-PZJWPPBQSA-N 1 3 329.532 3.219 10 0 EGAEHO O[C@@H]1CCCC[C@H]1CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000568050773 459214588 /nfs/dbraw/zinc/21/45/88/459214588.db2.gz DZORGOYLJYYXEM-KSZLIROESA-N 1 3 334.529 3.243 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000560521475 459364948 /nfs/dbraw/zinc/36/49/48/459364948.db2.gz RZVZJUCKEZOWTN-IVAOSVALSA-N 1 3 327.516 3.286 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393804 459590211 /nfs/dbraw/zinc/59/02/11/459590211.db2.gz CUGMJMLFRUVUFZ-FKICDVMDSA-N 1 3 348.556 3.396 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393804 459590216 /nfs/dbraw/zinc/59/02/16/459590216.db2.gz CUGMJMLFRUVUFZ-FKICDVMDSA-N 1 3 348.556 3.396 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153732 459623730 /nfs/dbraw/zinc/62/37/30/459623730.db2.gz SSMIYWRHJUMVTO-JYAXBFRTSA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153732 459623738 /nfs/dbraw/zinc/62/37/38/459623738.db2.gz SSMIYWRHJUMVTO-JYAXBFRTSA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153732 459623741 /nfs/dbraw/zinc/62/37/41/459623741.db2.gz SSMIYWRHJUMVTO-JYAXBFRTSA-N 1 3 325.500 3.008 10 0 EGAEHO CC(C)(C)NC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499153885 459624118 /nfs/dbraw/zinc/62/41/18/459624118.db2.gz BFOPVGIAYWCFGT-LDLYASANSA-N 1 3 343.515 3.076 10 0 EGAEHO CC(C)(C)NC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499153885 459624125 /nfs/dbraw/zinc/62/41/25/459624125.db2.gz BFOPVGIAYWCFGT-LDLYASANSA-N 1 3 343.515 3.076 10 0 EGAEHO [NH3+]CCCCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000563077502 459712166 /nfs/dbraw/zinc/71/21/66/459712166.db2.gz HCXOSLROEPJAPB-UHFFFAOYSA-N 1 3 343.515 3.163 10 0 EGAEHO NC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC1 ZINC000574501270 459826476 /nfs/dbraw/zinc/82/64/76/459826476.db2.gz LIJNEEPCZXYLBL-UHFFFAOYSA-N 1 3 325.460 3.031 10 0 EGAEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000629521650 460793972 /nfs/dbraw/zinc/79/39/72/460793972.db2.gz QBGVNYIEBBULPM-QGZVFWFLSA-N 1 3 340.467 3.424 10 0 EGAEHO NC1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629521420 460794417 /nfs/dbraw/zinc/79/44/17/460794417.db2.gz PUKDPBRPZDVJGH-OAHLLOKOSA-N 1 3 344.377 3.134 10 0 EGAEHO Cc1ccc(-c2nc3c(s2)[C@H](NCCOCCC[NH3+])CCC3)cc1 ZINC000629538110 460801053 /nfs/dbraw/zinc/80/10/53/460801053.db2.gz MIAKZJDLCMWBFB-MRXNPFEDSA-N 1 3 345.512 3.451 10 0 EGAEHO C[NH2+]CCOCCN(C)Cc1c(OC(C)C)ccc2ccccc21 ZINC000629571332 460813551 /nfs/dbraw/zinc/81/35/51/460813551.db2.gz LHWOOPKTBUQJGN-UHFFFAOYSA-N 1 3 330.472 3.295 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000624123985 460872723 /nfs/dbraw/zinc/87/27/23/460872723.db2.gz VFWQBZVRTJGDBI-CTNGQTDRSA-N 1 3 343.559 3.404 10 0 EGAEHO c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000662279839 461163238 /nfs/dbraw/zinc/16/32/38/461163238.db2.gz MGFHMGXAIWEBIP-IBGZPJMESA-N 1 3 346.478 3.347 10 0 EGAEHO c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000662279839 461163246 /nfs/dbraw/zinc/16/32/46/461163246.db2.gz MGFHMGXAIWEBIP-IBGZPJMESA-N 1 3 346.478 3.347 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCSc2ccc(F)cc2)C1 ZINC000662282577 461165632 /nfs/dbraw/zinc/16/56/32/461165632.db2.gz CPBYJPKELKHJKL-NJAFHUGGSA-N 1 3 338.492 3.279 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC3CC2(c2ccccc2)C3)CC1 ZINC000662331674 461196134 /nfs/dbraw/zinc/19/61/34/461196134.db2.gz PTHQETLHOUBZKA-UHFFFAOYSA-N 1 3 327.516 3.024 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC3CC2(c2ccccc2)C3)CC1 ZINC000662331674 461196143 /nfs/dbraw/zinc/19/61/43/461196143.db2.gz PTHQETLHOUBZKA-UHFFFAOYSA-N 1 3 327.516 3.024 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)Cc1ccccc1 ZINC000668489133 461302521 /nfs/dbraw/zinc/30/25/21/461302521.db2.gz CQHRHFYCQIHPJA-GCJKJVERSA-N 1 3 338.495 3.222 10 0 EGAEHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C)c2OC)[C@@H](C)C1 ZINC000655810403 461467685 /nfs/dbraw/zinc/46/76/85/461467685.db2.gz KNUOXSAIUMNERE-PKOBYXMFSA-N 1 3 334.504 3.230 10 0 EGAEHO CCOc1cccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c1OC(F)F ZINC000655825619 461480639 /nfs/dbraw/zinc/48/06/39/461480639.db2.gz KMLFSHFHYLKFMT-XBXGTLAGSA-N 1 3 328.403 3.117 10 0 EGAEHO C[N@H+](CCCO)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659931574 461501133 /nfs/dbraw/zinc/50/11/33/461501133.db2.gz QVPKRARJYFEWJE-UYAOXDASSA-N 1 3 330.516 3.349 10 0 EGAEHO C[N@@H+](CCCO)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659931574 461501138 /nfs/dbraw/zinc/50/11/38/461501138.db2.gz QVPKRARJYFEWJE-UYAOXDASSA-N 1 3 330.516 3.349 10 0 EGAEHO c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCN(CC4CC4)C3)CC23CC3)cc1 ZINC000647181666 461550018 /nfs/dbraw/zinc/55/00/18/461550018.db2.gz MHIIYJHWBVBOAD-RTWAWAEBSA-N 1 3 339.527 3.258 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000647248485 461587808 /nfs/dbraw/zinc/58/78/08/461587808.db2.gz ATKLIFGSFZSUNT-MSOLQXFVSA-N 1 3 326.488 3.142 10 0 EGAEHO C[N@H+](CCCCNCc1ncc(Br)cc1Cl)C1CC1 ZINC000631156288 461596443 /nfs/dbraw/zinc/59/64/43/461596443.db2.gz ZLZVCMMRFCHWJT-UHFFFAOYSA-N 1 3 346.700 3.462 10 0 EGAEHO C[N@@H+](CCCCNCc1ncc(Br)cc1Cl)C1CC1 ZINC000631156288 461596454 /nfs/dbraw/zinc/59/64/54/461596454.db2.gz ZLZVCMMRFCHWJT-UHFFFAOYSA-N 1 3 346.700 3.462 10 0 EGAEHO C[NH+](C)C1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631160434 461601337 /nfs/dbraw/zinc/60/13/37/461601337.db2.gz JGRXSWUPJJIYTE-UHFFFAOYSA-N 1 3 346.700 3.460 10 0 EGAEHO Cc1scc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000631173351 461611446 /nfs/dbraw/zinc/61/14/46/461611446.db2.gz QAKAUBCTHPYNGU-LJQANCHMSA-N 1 3 330.497 3.221 10 0 EGAEHO Cc1scc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000631173351 461611457 /nfs/dbraw/zinc/61/14/57/461611457.db2.gz QAKAUBCTHPYNGU-LJQANCHMSA-N 1 3 330.497 3.221 10 0 EGAEHO CC(C)C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000647290035 461615652 /nfs/dbraw/zinc/61/56/52/461615652.db2.gz TZDBDFKGMLSBGR-FXAWDEMLSA-N 1 3 331.504 3.259 10 0 EGAEHO c1ccc2c(c1)O[C@H](CCNC1CC[NH+](CC3CC3)CC1)CS2 ZINC000647320932 461631966 /nfs/dbraw/zinc/63/19/66/461631966.db2.gz MVIIEFBHBDBDEZ-QGZVFWFLSA-N 1 3 332.513 3.394 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631223267 461654453 /nfs/dbraw/zinc/65/44/53/461654453.db2.gz ZOUSIVOGWNNYIJ-ABJHKEKUSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631223267 461654461 /nfs/dbraw/zinc/65/44/61/461654461.db2.gz ZOUSIVOGWNNYIJ-ABJHKEKUSA-N 1 3 347.300 3.304 10 0 EGAEHO CC[C@@H](NCCC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653875739 461911774 /nfs/dbraw/zinc/91/17/74/461911774.db2.gz ZBRZHGSZLHXOGE-FCGDIQPGSA-N 1 3 326.525 3.251 10 0 EGAEHO CC[C@@H]([NH2+]CCCN[C@@H](CC)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653875739 461911782 /nfs/dbraw/zinc/91/17/82/461911782.db2.gz ZBRZHGSZLHXOGE-FCGDIQPGSA-N 1 3 326.525 3.251 10 0 EGAEHO COc1ccc(Br)cc1C1(NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000647995237 461928030 /nfs/dbraw/zinc/92/80/30/461928030.db2.gz IMDCDLKABMDLKF-LBPRGKRZSA-N 1 3 339.277 3.036 10 0 EGAEHO CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336707 462055966 /nfs/dbraw/zinc/05/59/66/462055966.db2.gz YMIRTZMJFYJOSD-MOPGFXCFSA-N 1 3 332.488 3.064 10 0 EGAEHO CC(C)c1cnc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537604 462171734 /nfs/dbraw/zinc/17/17/34/462171734.db2.gz QLFWBBANFKWBSB-UHFFFAOYSA-N 1 3 337.533 3.247 10 0 EGAEHO CCc1cccc(F)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657538105 462171803 /nfs/dbraw/zinc/17/18/03/462171803.db2.gz YDJHCCDHZPPZCM-UHFFFAOYSA-N 1 3 334.479 3.369 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(C4CC4)cc3)cc2)C1 ZINC000657598247 462199350 /nfs/dbraw/zinc/19/93/50/462199350.db2.gz ZJHYDQIVLJCUNO-QFIPXVFZSA-N 1 3 336.479 3.420 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(C4CC4)cc3)cc2)C1 ZINC000657598247 462199359 /nfs/dbraw/zinc/19/93/59/462199359.db2.gz ZJHYDQIVLJCUNO-QFIPXVFZSA-N 1 3 336.479 3.420 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000648715015 462242354 /nfs/dbraw/zinc/24/23/54/462242354.db2.gz ZLOKLGXDWPXBQI-HBMCJLEFSA-N 1 3 346.515 3.143 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000648715015 462242357 /nfs/dbraw/zinc/24/23/57/462242357.db2.gz ZLOKLGXDWPXBQI-HBMCJLEFSA-N 1 3 346.515 3.143 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000648715017 462242369 /nfs/dbraw/zinc/24/23/69/462242369.db2.gz ZLOKLGXDWPXBQI-NJYVYQBISA-N 1 3 346.515 3.143 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000648715017 462242372 /nfs/dbraw/zinc/24/23/72/462242372.db2.gz ZLOKLGXDWPXBQI-NJYVYQBISA-N 1 3 346.515 3.143 10 0 EGAEHO Cc1cc(Br)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000665267270 462377554 /nfs/dbraw/zinc/37/75/54/462377554.db2.gz TUTDDFCQXHEXGX-GRYCIOLGSA-N 1 3 329.307 3.297 10 0 EGAEHO C[C@@H]1C[C@H](NC2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103311 462384368 /nfs/dbraw/zinc/38/43/68/462384368.db2.gz USSYWJBYEMOOOW-HJZRJOMTSA-N 1 3 339.487 3.317 10 0 EGAEHO C[C@@H]1C[C@H](NC2CCC([N@@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103311 462384373 /nfs/dbraw/zinc/38/43/73/462384373.db2.gz USSYWJBYEMOOOW-HJZRJOMTSA-N 1 3 339.487 3.317 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000658124914 462394916 /nfs/dbraw/zinc/39/49/16/462394916.db2.gz RJODNOSYIREXMS-UGUYLWEFSA-N 1 3 334.426 3.339 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138995 462402769 /nfs/dbraw/zinc/40/27/69/462402769.db2.gz KMEFANKOJBBYEJ-KSSFIOAISA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138995 462402772 /nfs/dbraw/zinc/40/27/72/462402772.db2.gz KMEFANKOJBBYEJ-KSSFIOAISA-N 1 3 346.421 3.382 10 0 EGAEHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCCCC1 ZINC000658142532 462404894 /nfs/dbraw/zinc/40/48/94/462404894.db2.gz ZSFVXIHUIGEIPL-YLJYHZDGSA-N 1 3 346.515 3.081 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142708 462405252 /nfs/dbraw/zinc/40/52/52/462405252.db2.gz WDVLGFTYMHKIHZ-CTNGQTDRSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142708 462405255 /nfs/dbraw/zinc/40/52/55/462405255.db2.gz WDVLGFTYMHKIHZ-CTNGQTDRSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)C1 ZINC000658147284 462406546 /nfs/dbraw/zinc/40/65/46/462406546.db2.gz YGALSKXDZURMDP-UNMCSNQZSA-N 1 3 336.479 3.420 10 0 EGAEHO COc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658146513 462407551 /nfs/dbraw/zinc/40/75/51/462407551.db2.gz VLRWECKIELZEKP-UZLBHIALSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658146513 462407557 /nfs/dbraw/zinc/40/75/57/462407557.db2.gz VLRWECKIELZEKP-UZLBHIALSA-N 1 3 340.467 3.113 10 0 EGAEHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339087 462480749 /nfs/dbraw/zinc/48/07/49/462480749.db2.gz PUOBONVYCNWFPJ-PKOBYXMFSA-N 1 3 349.563 3.445 10 0 EGAEHO CN(C)CCOc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092785548 546679421 /nfs/dbraw/zinc/67/94/21/546679421.db2.gz SOCSLYFWEAORMZ-HXUWFJFHSA-N 1 3 345.531 3.077 10 0 EGAEHO CO[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000684371183 550321006 /nfs/dbraw/zinc/32/10/06/550321006.db2.gz MEIJOITXYCYQLP-PZJWPPBQSA-N 1 3 345.531 3.136 10 0 EGAEHO CO[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000684371181 550321209 /nfs/dbraw/zinc/32/12/09/550321209.db2.gz MEIJOITXYCYQLP-CTNGQTDRSA-N 1 3 345.531 3.136 10 0 EGAEHO C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684410902 550326680 /nfs/dbraw/zinc/32/66/80/550326680.db2.gz COIKAJMACYNKNT-CZUORRHYSA-N 1 3 330.394 3.400 10 0 EGAEHO C[NH+](C)C1(C)CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000871357349 1296365099 /nfs/dbraw/zinc/36/50/99/1296365099.db2.gz GGXAXPGXKHJVBU-UHFFFAOYSA-N 1 3 343.515 3.275 10 0 EGAEHO O[C@@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000313544044 1297123487 /nfs/dbraw/zinc/12/34/87/1297123487.db2.gz FHMWNJMNZPDFSR-FSSWDIPSSA-N 1 3 336.479 3.174 10 0 EGAEHO O[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000313544044 1297123489 /nfs/dbraw/zinc/12/34/89/1297123489.db2.gz FHMWNJMNZPDFSR-FSSWDIPSSA-N 1 3 336.479 3.174 10 0 EGAEHO OC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886541608 1303492831 /nfs/dbraw/zinc/49/28/31/1303492831.db2.gz YJNBKXOMTXQZPE-SXYSDOLCSA-N 1 3 328.500 3.180 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1(C)C ZINC000858133699 1328691202 /nfs/dbraw/zinc/69/12/02/1328691202.db2.gz VJBJBYAWXKFLOE-IUODEOHRSA-N 1 3 331.287 3.489 10 0 EGAEHO COCC[N@H+](C)CCCC1CCN([C@@H](C)c2ccc(F)nc2)CC1 ZINC000930144399 1328798558 /nfs/dbraw/zinc/79/85/58/1328798558.db2.gz DONQQIIHRIWGTB-INIZCTEOSA-N 1 3 337.483 3.352 10 0 EGAEHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)c2ccc(F)nc2)CC1 ZINC000930144399 1328798561 /nfs/dbraw/zinc/79/85/61/1328798561.db2.gz DONQQIIHRIWGTB-INIZCTEOSA-N 1 3 337.483 3.352 10 0 EGAEHO Cc1nc(CNC2CCC(C[NH+](C)C)CC2)sc1Br ZINC000921921276 1322423687 /nfs/dbraw/zinc/42/36/87/1322423687.db2.gz VUDNLVVHDKGKAH-UHFFFAOYSA-N 1 3 346.338 3.424 10 0 EGAEHO COc1ccc(C(C)C)cc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452327 1322754186 /nfs/dbraw/zinc/75/41/86/1322754186.db2.gz PYSMEHSLFYPBDW-GOSISDBHSA-N 1 3 332.488 3.148 10 0 EGAEHO CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000924938626 1323221334 /nfs/dbraw/zinc/22/13/34/1323221334.db2.gz NBGZANQWKUVQFR-ACRUOGEOSA-N 1 3 330.516 3.202 10 0 EGAEHO COc1cccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1OC ZINC000925476434 1325167752 /nfs/dbraw/zinc/16/77/52/1325167752.db2.gz BZFPCEWYCAIISU-MSOLQXFVSA-N 1 3 332.488 3.004 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)c1 ZINC000925502664 1325180879 /nfs/dbraw/zinc/18/08/79/1325180879.db2.gz GXQVHLFMFLEJCL-ULQDDVLXSA-N 1 3 331.504 3.160 10 0 EGAEHO COc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536323 1325196474 /nfs/dbraw/zinc/19/64/74/1325196474.db2.gz CZLGGIGIKACACM-QWHCGFSZSA-N 1 3 328.403 3.292 10 0 EGAEHO C[C@](O)(CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639201 1325242692 /nfs/dbraw/zinc/24/26/92/1325242692.db2.gz KDGMJJUITSFPNC-QYZOEREBSA-N 1 3 336.907 3.305 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925677051 1325259257 /nfs/dbraw/zinc/25/92/57/1325259257.db2.gz MZVOXQJQGVPOHD-JKSUJKDBSA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)n1 ZINC000925677051 1325259262 /nfs/dbraw/zinc/25/92/62/1325259262.db2.gz MZVOXQJQGVPOHD-JKSUJKDBSA-N 1 3 341.421 3.401 10 0 EGAEHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925779378 1325296495 /nfs/dbraw/zinc/29/64/95/1325296495.db2.gz YCGPUDXWGDIGEK-WCQYABFASA-N 1 3 336.348 3.471 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000925783956 1325300200 /nfs/dbraw/zinc/30/02/00/1325300200.db2.gz QAIGMVORMSZBJP-SMDDNHRTSA-N 1 3 345.231 3.271 10 0 EGAEHO CCOC(=O)[C@H]1CC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842048 1325323834 /nfs/dbraw/zinc/32/38/34/1325323834.db2.gz XBDOGQYRKAILHM-QEUVDIPISA-N 1 3 342.483 3.290 10 0 EGAEHO O=C1O[C@H](CNC2c3ccccc3-c3ccccc32)CC12CC[NH2+]CC2 ZINC000925857969 1325333108 /nfs/dbraw/zinc/33/31/08/1325333108.db2.gz QZXSYLUVKUXNRF-HNNXBMFYSA-N 1 3 348.446 3.031 10 0 EGAEHO COc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000925876949 1325339252 /nfs/dbraw/zinc/33/92/52/1325339252.db2.gz JYODJPHGSWRFRB-CYBMUJFWSA-N 1 3 329.444 3.025 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H](C)N2CCCCC2)n(C)n1 ZINC000926141718 1325444832 /nfs/dbraw/zinc/44/48/32/1325444832.db2.gz INQAMIAIJILFCE-BJLQDIEVSA-N 1 3 332.536 3.294 10 0 EGAEHO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1(Br)CC1 ZINC000926634518 1327644797 /nfs/dbraw/zinc/64/47/97/1327644797.db2.gz FOCRQUHMWRUJKP-BMFZPTHFSA-N 1 3 337.305 3.237 10 0 EGAEHO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1(Br)CC1 ZINC000926634518 1327644803 /nfs/dbraw/zinc/64/48/03/1327644803.db2.gz FOCRQUHMWRUJKP-BMFZPTHFSA-N 1 3 337.305 3.237 10 0 EGAEHO CN(C)Cc1cccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000866132125 1330068757 /nfs/dbraw/zinc/06/87/57/1330068757.db2.gz ALUXFPQAMBHJDI-UHFFFAOYSA-N 1 3 332.492 3.133 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001324236968 1387564568 /nfs/dbraw/zinc/56/45/68/1387564568.db2.gz RSBMKRBHRPDLMV-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC(C)(C)C ZINC001485357692 1395833230 /nfs/dbraw/zinc/83/32/30/1395833230.db2.gz LIKWQANXDWUZJX-IAGOWNOFSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001485357692 1395833235 /nfs/dbraw/zinc/83/32/35/1395833235.db2.gz LIKWQANXDWUZJX-IAGOWNOFSA-N 1 3 325.541 3.122 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001324508842 1387656529 /nfs/dbraw/zinc/65/65/29/1387656529.db2.gz DFYHSIVWJMZAJJ-IBGZPJMESA-N 1 3 346.519 3.106 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001324944825 1387840728 /nfs/dbraw/zinc/84/07/28/1387840728.db2.gz UFCOHVXBXWZCSZ-HXUWFJFHSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001324944825 1387840736 /nfs/dbraw/zinc/84/07/36/1387840736.db2.gz UFCOHVXBXWZCSZ-HXUWFJFHSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCCC1)C2 ZINC001325351730 1387947558 /nfs/dbraw/zinc/94/75/58/1387947558.db2.gz NQISAKKOLZYQNP-UFYCRDLUSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCCC1)C2 ZINC001325351730 1387947562 /nfs/dbraw/zinc/94/75/62/1387947562.db2.gz NQISAKKOLZYQNP-UFYCRDLUSA-N 1 3 349.563 3.266 10 0 EGAEHO C[C@H](NCCOC1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812558 1371407677 /nfs/dbraw/zinc/40/76/77/1371407677.db2.gz QFQDMIAELWEJFS-JKSUJKDBSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@H](NCCOC1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812558 1371407682 /nfs/dbraw/zinc/40/76/82/1371407682.db2.gz QFQDMIAELWEJFS-JKSUJKDBSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@H]([NH2+]CCOC1CCSCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001119812558 1371407683 /nfs/dbraw/zinc/40/76/83/1371407683.db2.gz QFQDMIAELWEJFS-JKSUJKDBSA-N 1 3 326.550 3.141 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001327173187 1388421909 /nfs/dbraw/zinc/42/19/09/1388421909.db2.gz OAEFGLGLZPBZIR-QFBILLFUSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001327173187 1388421912 /nfs/dbraw/zinc/42/19/12/1388421912.db2.gz OAEFGLGLZPBZIR-QFBILLFUSA-N 1 3 349.494 3.198 10 0 EGAEHO CC1CCC(C[N@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)CC1 ZINC001327213220 1388446042 /nfs/dbraw/zinc/44/60/42/1388446042.db2.gz OKZGKKJQPYLBBG-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC1CCC(C[N@@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)CC1 ZINC001327213220 1388446044 /nfs/dbraw/zinc/44/60/44/1388446044.db2.gz OKZGKKJQPYLBBG-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001264122096 1377140012 /nfs/dbraw/zinc/14/00/12/1377140012.db2.gz GFGOPBDSQCMDDJ-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741546 1377523814 /nfs/dbraw/zinc/52/38/14/1377523814.db2.gz TZGPBBFEYFGWSL-LVMGUKCRSA-N 1 3 343.515 3.011 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCC1 ZINC001273084618 1378086957 /nfs/dbraw/zinc/08/69/57/1378086957.db2.gz VIWDHBLXKOQAEY-AATRIKPKSA-N 1 3 335.536 3.236 10 0 EGAEHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001141779304 1378375045 /nfs/dbraw/zinc/37/50/45/1378375045.db2.gz ANVJVQQKRLOQQN-YLJYHZDGSA-N 1 3 347.547 3.192 10 0 EGAEHO CC(C)CCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001281298377 1378413344 /nfs/dbraw/zinc/41/33/44/1378413344.db2.gz KCJOEVOCDUXIBC-LJQANCHMSA-N 1 3 343.515 3.006 10 0 EGAEHO CC(C)CCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001281298377 1378413345 /nfs/dbraw/zinc/41/33/45/1378413345.db2.gz KCJOEVOCDUXIBC-LJQANCHMSA-N 1 3 343.515 3.006 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001281906130 1378456737 /nfs/dbraw/zinc/45/67/37/1378456737.db2.gz STURWUHWNLOEPO-FBYXPACISA-N 1 3 343.515 3.055 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001283268448 1378777528 /nfs/dbraw/zinc/77/75/28/1378777528.db2.gz KWQSUICNKWCVEE-CVEARBPZSA-N 1 3 342.487 3.205 10 0 EGAEHO C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001146982803 1378952240 /nfs/dbraw/zinc/95/22/40/1378952240.db2.gz YFJWDTVOLGSVJG-IYYARCDJSA-N 1 3 337.552 3.147 10 0 EGAEHO C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001146982803 1378952243 /nfs/dbraw/zinc/95/22/43/1378952243.db2.gz YFJWDTVOLGSVJG-IYYARCDJSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001283938784 1379288588 /nfs/dbraw/zinc/28/85/88/1379288588.db2.gz JXQSKCVVFQWOGK-XLIONFOSSA-N 1 3 345.531 3.229 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)CN1CCCC1 ZINC001284559808 1379969401 /nfs/dbraw/zinc/96/94/01/1379969401.db2.gz ZMPUWGMMOZLJTQ-SFHVURJKSA-N 1 3 331.504 3.012 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)CN1CCCC1 ZINC001284559808 1379969403 /nfs/dbraw/zinc/96/94/03/1379969403.db2.gz ZMPUWGMMOZLJTQ-SFHVURJKSA-N 1 3 331.504 3.012 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001284684047 1380094051 /nfs/dbraw/zinc/09/40/51/1380094051.db2.gz KCPAUSPQASYQTF-QRMWTIMZSA-N 1 3 349.563 3.432 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001284701728 1380116721 /nfs/dbraw/zinc/11/67/21/1380116721.db2.gz DYGDJBXBCYDAAU-XLIONFOSSA-N 1 3 345.531 3.052 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001284718562 1380136886 /nfs/dbraw/zinc/13/68/86/1380136886.db2.gz BLIKFUQLLXSHRK-QFBILLFUSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CCCCC1)N(C)C ZINC001328734153 1388832183 /nfs/dbraw/zinc/83/21/83/1388832183.db2.gz VSBGHSXPOISRKI-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CCCCC1)N(C)C ZINC001328734153 1388832185 /nfs/dbraw/zinc/83/21/85/1388832185.db2.gz VSBGHSXPOISRKI-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001316679300 1384520293 /nfs/dbraw/zinc/52/02/93/1384520293.db2.gz AVYKBYKWZBMJJV-ZWKOTPCHSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001316710276 1384533427 /nfs/dbraw/zinc/53/34/27/1384533427.db2.gz XHXWMEBOYCQVID-MSOLQXFVSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001316725245 1384544932 /nfs/dbraw/zinc/54/49/32/1384544932.db2.gz YDVKEBXZTXYSID-LZQZEXGQSA-N 1 3 346.519 3.056 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001316725245 1384544938 /nfs/dbraw/zinc/54/49/38/1384544938.db2.gz YDVKEBXZTXYSID-LZQZEXGQSA-N 1 3 346.519 3.056 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811621 1384609679 /nfs/dbraw/zinc/60/96/79/1384609679.db2.gz NPYOUZHHYHLLQT-RBUKOAKNSA-N 1 3 345.531 3.134 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811621 1384609684 /nfs/dbraw/zinc/60/96/84/1384609684.db2.gz NPYOUZHHYHLLQT-RBUKOAKNSA-N 1 3 345.531 3.134 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001317050216 1384826570 /nfs/dbraw/zinc/82/65/70/1384826570.db2.gz POFVSFYKYBEBEM-BGYRXZFFSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001317100204 1384863487 /nfs/dbraw/zinc/86/34/87/1384863487.db2.gz OGAPXINJNXXXNX-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCC3)CC[C@H]21 ZINC001317100204 1384863492 /nfs/dbraw/zinc/86/34/92/1384863492.db2.gz OGAPXINJNXXXNX-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001317437856 1385140511 /nfs/dbraw/zinc/14/05/11/1385140511.db2.gz YCIPUFZRYFYTDL-AZUAARDMSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001317437856 1385140513 /nfs/dbraw/zinc/14/05/13/1385140513.db2.gz YCIPUFZRYFYTDL-AZUAARDMSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001317717958 1385419593 /nfs/dbraw/zinc/41/95/93/1385419593.db2.gz KFMWEDXFUYUCCY-VQTJNVASSA-N 1 3 343.515 3.106 10 0 EGAEHO CCCN(C(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766804 1385456150 /nfs/dbraw/zinc/45/61/50/1385456150.db2.gz ISHJBRSQVYYPRW-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317766804 1385456152 /nfs/dbraw/zinc/45/61/52/1385456152.db2.gz ISHJBRSQVYYPRW-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001317854597 1385538250 /nfs/dbraw/zinc/53/82/50/1385538250.db2.gz QLBZTJTXFCLECR-IBGZPJMESA-N 1 3 349.563 3.245 10 0 EGAEHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001317854597 1385538251 /nfs/dbraw/zinc/53/82/51/1385538251.db2.gz QLBZTJTXFCLECR-IBGZPJMESA-N 1 3 349.563 3.245 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524807 1385735045 /nfs/dbraw/zinc/73/50/45/1385735045.db2.gz PSYQFUJHRYRWCL-VQTJNVASSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318531572 1385740513 /nfs/dbraw/zinc/74/05/13/1385740513.db2.gz VDSOLMDLPAVBCY-ROUUACIJSA-N 1 3 345.531 3.333 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001319542195 1386170891 /nfs/dbraw/zinc/17/08/91/1386170891.db2.gz ZGTIUUXRJQUACS-FUHWJXTLSA-N 1 3 325.541 3.122 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]C/C=C/c2ccccc2)CCCC1)N(C)C ZINC001698634154 1406278122 /nfs/dbraw/zinc/27/81/22/1406278122.db2.gz OITBDXFXHJPENU-QHSLDKKCSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830798 1386323819 /nfs/dbraw/zinc/32/38/19/1386323819.db2.gz GPTBELDTPNCOSX-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919108 1386390537 /nfs/dbraw/zinc/39/05/37/1386390537.db2.gz SGNMKBMHQSNKRY-PMACEKPBSA-N 1 3 345.531 3.100 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001320114430 1386522666 /nfs/dbraw/zinc/52/26/66/1386522666.db2.gz LBFSYUHVGTUQFD-ZWKOTPCHSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001320114430 1386522671 /nfs/dbraw/zinc/52/26/71/1386522671.db2.gz LBFSYUHVGTUQFD-ZWKOTPCHSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]Cc1cc2ccccc2s1 ZINC001321418810 1386899365 /nfs/dbraw/zinc/89/93/65/1386899365.db2.gz JNCLPDJVOICFAJ-VOTSOKGWSA-N 1 3 345.512 3.004 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001322229841 1387110697 /nfs/dbraw/zinc/11/06/97/1387110697.db2.gz FUEPXGPLERCZEA-QGZVFWFLSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001329204191 1389021546 /nfs/dbraw/zinc/02/15/46/1389021546.db2.gz XTDUNYRMKOTJPE-IAGOWNOFSA-N 1 3 341.499 3.163 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001329341821 1389067960 /nfs/dbraw/zinc/06/79/60/1389067960.db2.gz HFDNXLJKPDSYPN-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001329576174 1389163312 /nfs/dbraw/zinc/16/33/12/1389163312.db2.gz YRQYTPOUYHDBKE-WMZOPIPTSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001329576174 1389163314 /nfs/dbraw/zinc/16/33/14/1389163314.db2.gz YRQYTPOUYHDBKE-WMZOPIPTSA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1 ZINC001329860642 1389238464 /nfs/dbraw/zinc/23/84/64/1389238464.db2.gz KDOYSKZMOHPRLZ-QLPPCANRSA-N 1 3 341.927 3.020 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCCC(C)C)CCCCC1 ZINC001329860585 1389238491 /nfs/dbraw/zinc/23/84/91/1389238491.db2.gz GMFGTPKLPJUWGX-UHFFFAOYSA-N 1 3 334.508 3.106 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001331559031 1389798526 /nfs/dbraw/zinc/79/85/26/1389798526.db2.gz CTWRDVHSIRLTQV-VQIMIIECSA-N 1 3 343.531 3.072 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001331617079 1389831125 /nfs/dbraw/zinc/83/11/25/1389831125.db2.gz RERGTNBTQMKCPQ-OXQOHEQNSA-N 1 3 345.531 3.231 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001331616805 1389831135 /nfs/dbraw/zinc/83/11/35/1389831135.db2.gz RERGTNBTQMKCPQ-JXFKEZNVSA-N 1 3 345.531 3.231 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@@H]1C ZINC001332052188 1389959542 /nfs/dbraw/zinc/95/95/42/1389959542.db2.gz XDBFXYKBERJIDS-PXNSSMCTSA-N 1 3 345.531 3.231 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001332162826 1390015110 /nfs/dbraw/zinc/01/51/10/1390015110.db2.gz XTDRWMMVBSHSHL-IEVDXQOXSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@H]1CCCN1C ZINC001332722512 1390168409 /nfs/dbraw/zinc/16/84/09/1390168409.db2.gz HTGYXVBIIYAZOV-LJQANCHMSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@H]1CCCN1C ZINC001332722512 1390168411 /nfs/dbraw/zinc/16/84/11/1390168411.db2.gz HTGYXVBIIYAZOV-LJQANCHMSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826510 1390195698 /nfs/dbraw/zinc/19/56/98/1390195698.db2.gz QCYLSRBYUFBLDM-MSOLQXFVSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001698779309 1406446333 /nfs/dbraw/zinc/44/63/33/1406446333.db2.gz ZBYUNGPCHAPKOR-QGZVFWFLSA-N 1 3 341.499 3.022 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1)c1ccccc1 ZINC001488844813 1391734009 /nfs/dbraw/zinc/73/40/09/1391734009.db2.gz XUPBSBSJHCKLIV-LNLFQRSKSA-N 1 3 343.515 3.106 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001479476906 1392252080 /nfs/dbraw/zinc/25/20/80/1392252080.db2.gz YXKKOAPVQOCGFI-YSIASYRMSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCCC1)CC2 ZINC001479504101 1392259413 /nfs/dbraw/zinc/25/94/13/1392259413.db2.gz RKRWHBMEIFBZNX-GOSISDBHSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CCC2CCCCCC2)C1 ZINC001479797080 1392395851 /nfs/dbraw/zinc/39/58/51/1392395851.db2.gz RLTURLCGHMLZOP-GOSISDBHSA-N 1 3 337.552 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CCC2CCCCCC2)C1 ZINC001479797080 1392395854 /nfs/dbraw/zinc/39/58/54/1392395854.db2.gz RLTURLCGHMLZOP-GOSISDBHSA-N 1 3 337.552 3.127 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001479815299 1392407296 /nfs/dbraw/zinc/40/72/96/1392407296.db2.gz GFNFMNOKVWLYKZ-AZUAARDMSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001479815299 1392407298 /nfs/dbraw/zinc/40/72/98/1392407298.db2.gz GFNFMNOKVWLYKZ-AZUAARDMSA-N 1 3 345.531 3.369 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001479984824 1392517327 /nfs/dbraw/zinc/51/73/27/1392517327.db2.gz HVXSQLUXHSESLW-ICUWKNINSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C(=O)CN(C)C(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001479996227 1392528035 /nfs/dbraw/zinc/52/80/35/1392528035.db2.gz AXALROKANKWFAI-KRWDZBQOSA-N 1 3 325.541 3.076 10 0 EGAEHO CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085174 1392575110 /nfs/dbraw/zinc/57/51/10/1392575110.db2.gz QJALRQNYEDOWBH-MOPGFXCFSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085174 1392575112 /nfs/dbraw/zinc/57/51/12/1392575112.db2.gz QJALRQNYEDOWBH-MOPGFXCFSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189627 1392619347 /nfs/dbraw/zinc/61/93/47/1392619347.db2.gz PYQBDHCDKDMAFA-PKVWGGKHSA-N 1 3 344.503 3.012 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189627 1392619349 /nfs/dbraw/zinc/61/93/49/1392619349.db2.gz PYQBDHCDKDMAFA-PKVWGGKHSA-N 1 3 344.503 3.012 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001480287571 1392660549 /nfs/dbraw/zinc/66/05/49/1392660549.db2.gz ZQMDTDQBKJQVFV-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480296709 1392664389 /nfs/dbraw/zinc/66/43/89/1392664389.db2.gz DAXVJFODMJHQKV-OALUTQOASA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001480304527 1392668255 /nfs/dbraw/zinc/66/82/55/1392668255.db2.gz YTNHDGVYLWNVBG-IBGZPJMESA-N 1 3 337.552 3.127 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328235 1392688244 /nfs/dbraw/zinc/68/82/44/1392688244.db2.gz PGWFSBRMJOGJBR-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328235 1392688247 /nfs/dbraw/zinc/68/82/47/1392688247.db2.gz PGWFSBRMJOGJBR-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@@H](F)C[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001480411202 1392747217 /nfs/dbraw/zinc/74/72/17/1392747217.db2.gz IESBTWJZCOZRDJ-LMDPOFIKSA-N 1 3 349.494 3.127 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001698927631 1406663620 /nfs/dbraw/zinc/66/36/20/1406663620.db2.gz GAERBJFTGJNMNF-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccc1 ZINC001490976758 1394389716 /nfs/dbraw/zinc/38/97/16/1394389716.db2.gz GWOJDZYPOIHKIH-VOBGVNJCSA-N 1 3 343.515 3.199 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccccc1 ZINC001490976758 1394389724 /nfs/dbraw/zinc/38/97/24/1394389724.db2.gz GWOJDZYPOIHKIH-VOBGVNJCSA-N 1 3 343.515 3.199 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001481696736 1394457751 /nfs/dbraw/zinc/45/77/51/1394457751.db2.gz SQYJEZHOUSDMAW-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001481696736 1394457754 /nfs/dbraw/zinc/45/77/54/1394457754.db2.gz SQYJEZHOUSDMAW-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855289 1394561211 /nfs/dbraw/zinc/56/12/11/1394561211.db2.gz KNVUZQAMRLSUCS-UYAOXDASSA-N 1 3 345.531 3.244 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001481880547 1394574556 /nfs/dbraw/zinc/57/45/56/1394574556.db2.gz GMEKTWGEYJHHKG-LSDHHAIUSA-N 1 3 339.911 3.226 10 0 EGAEHO CCCCC[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001481959728 1394620389 /nfs/dbraw/zinc/62/03/89/1394620389.db2.gz AYWPULONEYMHNY-BEFAXECRSA-N 1 3 334.508 3.106 10 0 EGAEHO C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482331943 1394901558 /nfs/dbraw/zinc/90/15/58/1394901558.db2.gz WHWASLCPCISFFQ-LVMGUKCRSA-N 1 3 345.531 3.114 10 0 EGAEHO CCC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CCCCC1 ZINC001482409832 1394974375 /nfs/dbraw/zinc/97/43/75/1394974375.db2.gz QWOOGNKZFWNRIQ-KRWDZBQOSA-N 1 3 325.541 3.029 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001484470855 1395405852 /nfs/dbraw/zinc/40/58/52/1395405852.db2.gz VAFOWPBKKOLPSB-XUVXKRRUSA-N 1 3 349.563 3.218 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001484470855 1395405858 /nfs/dbraw/zinc/40/58/58/1395405858.db2.gz VAFOWPBKKOLPSB-XUVXKRRUSA-N 1 3 349.563 3.218 10 0 EGAEHO CCCCC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001484653084 1395463795 /nfs/dbraw/zinc/46/37/95/1395463795.db2.gz LURREPUFSWBUBO-LJQANCHMSA-N 1 3 341.515 3.018 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001485179719 1395688343 /nfs/dbraw/zinc/68/83/43/1395688343.db2.gz JANXRDBUDCWCBV-QZTJIDSGSA-N 1 3 345.531 3.161 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001485356234 1395829741 /nfs/dbraw/zinc/82/97/41/1395829741.db2.gz AZMNBDVWDRGCHW-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001485356234 1395829746 /nfs/dbraw/zinc/82/97/46/1395829746.db2.gz AZMNBDVWDRGCHW-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001485356236 1395830869 /nfs/dbraw/zinc/83/08/69/1395830869.db2.gz AZMNBDVWDRGCHW-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001485356236 1395830877 /nfs/dbraw/zinc/83/08/77/1395830877.db2.gz AZMNBDVWDRGCHW-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN(C)CC(C)(C)C ZINC001486123718 1396178847 /nfs/dbraw/zinc/17/88/47/1396178847.db2.gz GXJORWLZQXRPEM-DLBZAZTESA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001503473283 1396255520 /nfs/dbraw/zinc/25/55/20/1396255520.db2.gz KJXGCSTXGMSFCR-IRXDYDNUSA-N 1 3 337.552 3.029 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001493830757 1396343425 /nfs/dbraw/zinc/34/34/25/1396343425.db2.gz PISPNUSTCMMWSP-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001497765653 1396835199 /nfs/dbraw/zinc/83/51/99/1396835199.db2.gz SRHBUSDCMVPCAA-NFAHFFEMSA-N 1 3 337.895 3.003 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001689271085 1397004601 /nfs/dbraw/zinc/00/46/01/1397004601.db2.gz BWROZOIPVFROST-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001689891202 1404188281 /nfs/dbraw/zinc/18/82/81/1404188281.db2.gz SQNBVYYWPLNFNB-SQSZOCELSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001689891202 1404188284 /nfs/dbraw/zinc/18/82/84/1404188284.db2.gz SQNBVYYWPLNFNB-SQSZOCELSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001690302043 1404461310 /nfs/dbraw/zinc/46/13/10/1404461310.db2.gz UINRYZQOPSRAEJ-NSISKUIASA-N 1 3 345.531 3.448 10 0 EGAEHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001690312252 1404468488 /nfs/dbraw/zinc/46/84/88/1404468488.db2.gz JKPXUJHVJNWNLN-IHWFROFDSA-N 1 3 347.547 3.330 10 0 EGAEHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001690312252 1404468492 /nfs/dbraw/zinc/46/84/92/1404468492.db2.gz JKPXUJHVJNWNLN-IHWFROFDSA-N 1 3 347.547 3.330 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CC1CCC2(CC2)CC1 ZINC001691055610 1404974976 /nfs/dbraw/zinc/97/49/76/1404974976.db2.gz FMDDXVYURUJGLI-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CC1CCC2(CC2)CC1 ZINC001691055610 1404974980 /nfs/dbraw/zinc/97/49/80/1404974980.db2.gz FMDDXVYURUJGLI-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001725777364 1426461923 /nfs/dbraw/zinc/46/19/23/1426461923.db2.gz VAIUIHIZBCKVHX-RBUKOAKNSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1)N(C)C ZINC001691263417 1405184326 /nfs/dbraw/zinc/18/43/26/1405184326.db2.gz QNIMETKBDVRUIX-OTWHNJEPSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691277063 1405188286 /nfs/dbraw/zinc/18/82/86/1405188286.db2.gz NJFHAACDZVZVGD-JLAWEPINSA-N 1 3 349.563 3.076 10 0 EGAEHO CN(CCNCc1cccc(F)c1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001691409210 1405246471 /nfs/dbraw/zinc/24/64/71/1405246471.db2.gz ZFOJOWNTZJHVDI-UHFFFAOYSA-N 1 3 349.494 3.028 10 0 EGAEHO CN(CCNCc1cccc(F)c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001691409210 1405246475 /nfs/dbraw/zinc/24/64/75/1405246475.db2.gz ZFOJOWNTZJHVDI-UHFFFAOYSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001691636927 1405372487 /nfs/dbraw/zinc/37/24/87/1405372487.db2.gz PHSLRDQDADGFAD-UYAOXDASSA-N 1 3 345.531 3.449 10 0 EGAEHO CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001691690958 1405425743 /nfs/dbraw/zinc/42/57/43/1405425743.db2.gz XDOXIEYAEHXIDN-SFHVURJKSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)=CC[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001691726043 1405449414 /nfs/dbraw/zinc/44/94/14/1405449414.db2.gz CNXSLNTYWLUXKX-UHFFFAOYSA-N 1 3 337.552 3.434 10 0 EGAEHO CC(C)=CC[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001691726043 1405449418 /nfs/dbraw/zinc/44/94/18/1405449418.db2.gz CNXSLNTYWLUXKX-UHFFFAOYSA-N 1 3 337.552 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC1CCC1 ZINC001691798291 1405509686 /nfs/dbraw/zinc/50/96/86/1405509686.db2.gz BZOVPLPLBGCSHK-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCC1CCC1 ZINC001691798291 1405509688 /nfs/dbraw/zinc/50/96/88/1405509688.db2.gz BZOVPLPLBGCSHK-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001691960332 1405677592 /nfs/dbraw/zinc/67/75/92/1405677592.db2.gz PAARJFMENXBUJA-IHHMQQGQSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C)N(C)C ZINC001692172984 1405821400 /nfs/dbraw/zinc/82/14/00/1405821400.db2.gz DXUFYOJTVUJRDA-NEWSRXKRSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C)N(C)C ZINC001692172984 1405821403 /nfs/dbraw/zinc/82/14/03/1405821403.db2.gz DXUFYOJTVUJRDA-NEWSRXKRSA-N 1 3 335.536 3.042 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC(C)C ZINC001692226670 1405856618 /nfs/dbraw/zinc/85/66/18/1405856618.db2.gz AUIKOYOFSLRGLK-IPMKNSEASA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@H+]1CC(C)C ZINC001692226670 1405856625 /nfs/dbraw/zinc/85/66/25/1405856625.db2.gz AUIKOYOFSLRGLK-IPMKNSEASA-N 1 3 337.552 3.122 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001692234560 1405861399 /nfs/dbraw/zinc/86/13/99/1405861399.db2.gz OOMINZCWCZXXDY-HTWXZYLJSA-N 1 3 343.515 3.297 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001692234560 1405861405 /nfs/dbraw/zinc/86/14/05/1405861405.db2.gz OOMINZCWCZXXDY-HTWXZYLJSA-N 1 3 343.515 3.297 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601964 1406227470 /nfs/dbraw/zinc/22/74/70/1406227470.db2.gz XQTIMPYXTHEVFK-RTBURBONSA-N 1 3 349.563 3.316 10 0 EGAEHO CCc1cccc(C[NH2+][C@H](CC)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001698608083 1406236833 /nfs/dbraw/zinc/23/68/33/1406236833.db2.gz GSCICXPYLNHKHJ-LJQANCHMSA-N 1 3 345.531 3.108 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](CC)c1ccccc1 ZINC001732206282 1428455721 /nfs/dbraw/zinc/45/57/21/1428455721.db2.gz SEVHQUBUFKUQLA-RTBURBONSA-N 1 3 345.531 3.497 10 0 EGAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213440 1428461634 /nfs/dbraw/zinc/46/16/34/1428461634.db2.gz ZXVHJRNQQMAARX-SJLPKXTDSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CCC1CCCCC1)C1CC1 ZINC001732254547 1428495849 /nfs/dbraw/zinc/49/58/49/1428495849.db2.gz UHGFTXHXMVESRD-HXUWFJFHSA-N 1 3 346.519 3.106 10 0 EGAEHO CCC[NH2+]C[C@@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@H]1C ZINC001732258270 1428498824 /nfs/dbraw/zinc/49/88/24/1428498824.db2.gz CPRQKKPWZNJOEN-UTKZUKDTSA-N 1 3 345.531 3.427 10 0 EGAEHO CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC001732470020 1428598446 /nfs/dbraw/zinc/59/84/46/1428598446.db2.gz PRTOSJXSGZVAKQ-QZTJIDSGSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC001699160521 1412544374 /nfs/dbraw/zinc/54/43/74/1412544374.db2.gz RJZBVDLTLSWLFI-CABCVRRESA-N 1 3 339.911 3.226 10 0 EGAEHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001699213534 1412579036 /nfs/dbraw/zinc/57/90/36/1412579036.db2.gz DUSXYNNKUWEDBJ-HXUWFJFHSA-N 1 3 341.499 3.118 10 0 EGAEHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001699324305 1412639538 /nfs/dbraw/zinc/63/95/38/1412639538.db2.gz LDTPHNRSSXCPKE-QZPVUJMKSA-N 1 3 349.563 3.197 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876441 1413334581 /nfs/dbraw/zinc/33/45/81/1413334581.db2.gz YATJNBUEISSIIG-PRPIBZDOSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876441 1413334583 /nfs/dbraw/zinc/33/45/83/1413334583.db2.gz YATJNBUEISSIIG-PRPIBZDOSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)[N@@H+]1CCc2c(CNC(=O)CN(C)CC(C)(C)C)cccc2C1 ZINC001700123117 1413538306 /nfs/dbraw/zinc/53/83/06/1413538306.db2.gz SAUWUXPRAVYVCW-UHFFFAOYSA-N 1 3 345.531 3.047 10 0 EGAEHO CC(C)[N@H+]1CCc2c(CNC(=O)CN(C)CC(C)(C)C)cccc2C1 ZINC001700123117 1413538307 /nfs/dbraw/zinc/53/83/07/1413538307.db2.gz SAUWUXPRAVYVCW-UHFFFAOYSA-N 1 3 345.531 3.047 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC001700183336 1413599157 /nfs/dbraw/zinc/59/91/57/1413599157.db2.gz DLDMIEGCKBMZCM-OEMHODTASA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC001700183336 1413599161 /nfs/dbraw/zinc/59/91/61/1413599161.db2.gz DLDMIEGCKBMZCM-OEMHODTASA-N 1 3 343.515 3.011 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC=C(C)C)C2)C1 ZINC001700197867 1413640025 /nfs/dbraw/zinc/64/00/25/1413640025.db2.gz NMLVVWGSYJASNA-PMACEKPBSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC=C(C)C)C2)C1 ZINC001700197867 1413640029 /nfs/dbraw/zinc/64/00/29/1413640029.db2.gz NMLVVWGSYJASNA-PMACEKPBSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558626 1428747297 /nfs/dbraw/zinc/74/72/97/1428747297.db2.gz LQHHCISUTIEEBB-VQTJNVASSA-N 1 3 345.531 3.100 10 0 EGAEHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1)N(C)C ZINC001700286655 1413734333 /nfs/dbraw/zinc/73/43/33/1413734333.db2.gz YKGWXHRWKHLZEL-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001700873595 1414527571 /nfs/dbraw/zinc/52/75/71/1414527571.db2.gz NJMSXEQODKNHHX-ZCNNSNEGSA-N 1 3 347.547 3.045 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905740 1414560833 /nfs/dbraw/zinc/56/08/33/1414560833.db2.gz VGHQUOZGTYQUNS-ROUUACIJSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001700922695 1414575294 /nfs/dbraw/zinc/57/52/94/1414575294.db2.gz DDESRFBGKBJCHH-ZWKOTPCHSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001732728658 1428931599 /nfs/dbraw/zinc/93/15/99/1428931599.db2.gz KMLAPKVOIVYZFX-ROUUACIJSA-N 1 3 345.531 3.136 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734828 1428936107 /nfs/dbraw/zinc/93/61/07/1428936107.db2.gz UEEMIWGXJGILIK-SJLPKXTDSA-N 1 3 337.552 3.170 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)c(C)c1 ZINC001732974220 1429101271 /nfs/dbraw/zinc/10/12/71/1429101271.db2.gz INVGMWCCHAATFF-UYAOXDASSA-N 1 3 345.531 3.161 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060269 1417176075 /nfs/dbraw/zinc/17/60/75/1417176075.db2.gz XPSWLOQVTHYQTR-ROUKRRSUSA-N 1 3 343.515 3.251 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707239808 1417260052 /nfs/dbraw/zinc/26/00/52/1417260052.db2.gz DAYVKBLINRMXSD-OALUTQOASA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001713201004 1417771137 /nfs/dbraw/zinc/77/11/37/1417771137.db2.gz GGPDPQFBLPUCAK-OLMNPRSZSA-N 1 3 349.494 3.101 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713224625 1417812829 /nfs/dbraw/zinc/81/28/29/1417812829.db2.gz YUVVECXWCTYVBR-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713224625 1417812831 /nfs/dbraw/zinc/81/28/31/1417812831.db2.gz YUVVECXWCTYVBR-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001713253953 1417849676 /nfs/dbraw/zinc/84/96/76/1417849676.db2.gz WNFGTANWUHEUDX-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001713253953 1417849681 /nfs/dbraw/zinc/84/96/81/1417849681.db2.gz WNFGTANWUHEUDX-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275240 1417893473 /nfs/dbraw/zinc/89/34/73/1417893473.db2.gz GHRBACKNFZIAJF-RBUKOAKNSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275240 1417893477 /nfs/dbraw/zinc/89/34/77/1417893477.db2.gz GHRBACKNFZIAJF-RBUKOAKNSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275290 1417893609 /nfs/dbraw/zinc/89/36/09/1417893609.db2.gz GVTVQSFOLCZYDZ-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275290 1417893617 /nfs/dbraw/zinc/89/36/17/1417893617.db2.gz GVTVQSFOLCZYDZ-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001713506698 1418229762 /nfs/dbraw/zinc/22/97/62/1418229762.db2.gz YLFYXGKCXVQAOZ-MSOLQXFVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001713506698 1418229766 /nfs/dbraw/zinc/22/97/66/1418229766.db2.gz YLFYXGKCXVQAOZ-MSOLQXFVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001713529526 1418277555 /nfs/dbraw/zinc/27/75/55/1418277555.db2.gz MJZFKODWXWUDPS-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001713529526 1418277556 /nfs/dbraw/zinc/27/75/56/1418277556.db2.gz MJZFKODWXWUDPS-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713764072 1418575859 /nfs/dbraw/zinc/57/58/59/1418575859.db2.gz PAMGJENYHIHUCR-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713764072 1418575861 /nfs/dbraw/zinc/57/58/61/1418575861.db2.gz PAMGJENYHIHUCR-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001714093989 1418887511 /nfs/dbraw/zinc/88/75/11/1418887511.db2.gz UNUMZQQPKMEKHV-LJQANCHMSA-N 1 3 343.515 3.156 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155912 1418965919 /nfs/dbraw/zinc/96/59/19/1418965919.db2.gz LBUSRVGGHKWAPS-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155912 1418965920 /nfs/dbraw/zinc/96/59/20/1418965920.db2.gz LBUSRVGGHKWAPS-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001714194763 1419000466 /nfs/dbraw/zinc/00/04/66/1419000466.db2.gz OCKTZZRDQRFJMF-QHGAOEGBSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648590 1419424933 /nfs/dbraw/zinc/42/49/33/1419424933.db2.gz TURAHMDZNDMQND-ZWKOTPCHSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648590 1419424934 /nfs/dbraw/zinc/42/49/34/1419424934.db2.gz TURAHMDZNDMQND-ZWKOTPCHSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714920313 1419672295 /nfs/dbraw/zinc/67/22/95/1419672295.db2.gz BYRIYOQTGIHEFF-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714920313 1419672297 /nfs/dbraw/zinc/67/22/97/1419672297.db2.gz BYRIYOQTGIHEFF-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1CN(CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001714982167 1419717036 /nfs/dbraw/zinc/71/70/36/1419717036.db2.gz NWMSUJDIPSHDGN-FQEVSTJZSA-N 1 3 347.547 3.045 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001714982759 1419717159 /nfs/dbraw/zinc/71/71/59/1419717159.db2.gz UNYYHAYOMDQGAS-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C/C=C\c2ccccc2)CCCC1 ZINC001715101130 1419841982 /nfs/dbraw/zinc/84/19/82/1419841982.db2.gz AUXYXZMCTFSKIO-XFXZXTDPSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@H](C)c1cccc(F)c1)C1CC1 ZINC001715129569 1419878405 /nfs/dbraw/zinc/87/84/05/1419878405.db2.gz ZPKIYEUKDKGRFQ-FOIQADDNSA-N 1 3 349.494 3.101 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238348 1429380018 /nfs/dbraw/zinc/38/00/18/1429380018.db2.gz SZAPKKNXOWRNPR-VQTJNVASSA-N 1 3 347.547 3.188 10 0 EGAEHO CCC[NH2+]Cc1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001715198691 1419930425 /nfs/dbraw/zinc/93/04/25/1419930425.db2.gz ZJQZRWOLFPDGFK-FQEVSTJZSA-N 1 3 349.494 3.015 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715401369 1420100180 /nfs/dbraw/zinc/10/01/80/1420100180.db2.gz MWCIOZPJZDNVFW-VQIMIIECSA-N 1 3 346.519 3.139 10 0 EGAEHO CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CCCCC1 ZINC001715404426 1420102935 /nfs/dbraw/zinc/10/29/35/1420102935.db2.gz KNLLOYUMQTUIAP-RTBURBONSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC[N@H+](C)CCC(C)(C)C)CC1)N(C)C ZINC001715484877 1420165327 /nfs/dbraw/zinc/16/53/27/1420165327.db2.gz MOSLOYWFSTZCEO-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)CCC(C)(C)C)CC1)N(C)C ZINC001715484877 1420165330 /nfs/dbraw/zinc/16/53/30/1420165330.db2.gz MOSLOYWFSTZCEO-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC001715495429 1420176718 /nfs/dbraw/zinc/17/67/18/1420176718.db2.gz YVXYSUFKWQKKRH-RBUKOAKNSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1 ZINC001716024460 1420480682 /nfs/dbraw/zinc/48/06/82/1420480682.db2.gz NAYQRSONOOWSTA-CTWPCTMYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC(C)CC1 ZINC001716024460 1420480684 /nfs/dbraw/zinc/48/06/84/1420480684.db2.gz NAYQRSONOOWSTA-CTWPCTMYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042614 1420505707 /nfs/dbraw/zinc/50/57/07/1420505707.db2.gz RANVQFDAXLHDLM-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001716042614 1420505709 /nfs/dbraw/zinc/50/57/09/1420505709.db2.gz RANVQFDAXLHDLM-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001716049509 1420513681 /nfs/dbraw/zinc/51/36/81/1420513681.db2.gz BSRHLSKXCZWUTI-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001716049509 1420513682 /nfs/dbraw/zinc/51/36/82/1420513682.db2.gz BSRHLSKXCZWUTI-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CC3=CCCCC3)CC2)c1 ZINC001733265331 1429423119 /nfs/dbraw/zinc/42/31/19/1429423119.db2.gz SUBDPAFPVBGCNO-UHFFFAOYSA-N 1 3 341.499 3.101 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001716455160 1420670130 /nfs/dbraw/zinc/67/01/30/1420670130.db2.gz QPIFDYDNRZIXJS-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001716494782 1420717801 /nfs/dbraw/zinc/71/78/01/1420717801.db2.gz BCQMXEYAMKSTQA-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001716494782 1420717804 /nfs/dbraw/zinc/71/78/04/1420717804.db2.gz BCQMXEYAMKSTQA-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001716707645 1420861715 /nfs/dbraw/zinc/86/17/15/1420861715.db2.gz YCDVPSUWKBETQL-AYHJJNSGSA-N 1 3 335.536 3.019 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001716767755 1420912907 /nfs/dbraw/zinc/91/29/07/1420912907.db2.gz PMYOPNVDOJTNSM-KJYWSYJISA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)c1ccc(CN2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001716847872 1420976155 /nfs/dbraw/zinc/97/61/55/1420976155.db2.gz SPYZJGSWFVWPIM-OAQYLSRUSA-N 1 3 345.531 3.232 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001716893752 1421020104 /nfs/dbraw/zinc/02/01/04/1421020104.db2.gz BNLSOSNCAYXAOD-UYAOXDASSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001716893752 1421020106 /nfs/dbraw/zinc/02/01/06/1421020106.db2.gz BNLSOSNCAYXAOD-UYAOXDASSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001716900780 1421031686 /nfs/dbraw/zinc/03/16/86/1421031686.db2.gz UUBYNPAZMGSVPC-FPOVZHCZSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001716900780 1421031687 /nfs/dbraw/zinc/03/16/87/1421031687.db2.gz UUBYNPAZMGSVPC-FPOVZHCZSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)CCC1 ZINC001717120788 1421124669 /nfs/dbraw/zinc/12/46/69/1421124669.db2.gz JPABAPHMQDKOND-WGSAOQKQSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717126161 1421128156 /nfs/dbraw/zinc/12/81/56/1421128156.db2.gz YBPOGONULXYURP-SAABIXHNSA-N 1 3 337.552 3.029 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001717130136 1421131113 /nfs/dbraw/zinc/13/11/13/1421131113.db2.gz LKRLUHFYSHFKJQ-VOFKWLDRSA-N 1 3 347.547 3.142 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001717304364 1421245967 /nfs/dbraw/zinc/24/59/67/1421245967.db2.gz COROAGZLODQVLS-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)CCC1 ZINC001717309095 1421251329 /nfs/dbraw/zinc/25/13/29/1421251329.db2.gz FCKUFZPPEWGXHK-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)CC2(C)C)CCC1 ZINC001717309095 1421251330 /nfs/dbraw/zinc/25/13/30/1421251330.db2.gz FCKUFZPPEWGXHK-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309469 1421251954 /nfs/dbraw/zinc/25/19/54/1421251954.db2.gz NGSLHXBRKWLPOX-UCFODXPJSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309469 1421251955 /nfs/dbraw/zinc/25/19/55/1421251955.db2.gz NGSLHXBRKWLPOX-UCFODXPJSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1ccsc1 ZINC001717339099 1421276618 /nfs/dbraw/zinc/27/66/18/1421276618.db2.gz LSNWWOOPFUAWOL-SJLPKXTDSA-N 1 3 349.544 3.093 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001733292703 1429472013 /nfs/dbraw/zinc/47/20/13/1429472013.db2.gz LSZXWDOFTNCEPE-FPLPWBNLSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CCC1=CCCCC1 ZINC001717483728 1421419251 /nfs/dbraw/zinc/41/92/51/1421419251.db2.gz NPRJJEQDPMMEJE-QGZVFWFLSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CCC1=CCCCC1 ZINC001717483728 1421419253 /nfs/dbraw/zinc/41/92/53/1421419253.db2.gz NPRJJEQDPMMEJE-QGZVFWFLSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+](C)CCC1CCCC1 ZINC001717491164 1421430385 /nfs/dbraw/zinc/43/03/85/1421430385.db2.gz VJSYZCVYUSCJTN-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+](C)CCC1CCCC1 ZINC001717491164 1421430386 /nfs/dbraw/zinc/43/03/86/1421430386.db2.gz VJSYZCVYUSCJTN-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668047 1421558306 /nfs/dbraw/zinc/55/83/06/1421558306.db2.gz RZBYASZCYLXEDA-MJGOQNOKSA-N 1 3 335.536 3.234 10 0 EGAEHO CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717740891 1421604196 /nfs/dbraw/zinc/60/41/96/1421604196.db2.gz IFZWAVUQZFATJY-BEFAXECRSA-N 1 3 343.531 3.072 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895002 1421692806 /nfs/dbraw/zinc/69/28/06/1421692806.db2.gz BTGRXWINKGSUDF-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC001717985063 1421757629 /nfs/dbraw/zinc/75/76/29/1421757629.db2.gz WQDRFMFFDQCILM-LPHOPBHVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724323342 1424809328 /nfs/dbraw/zinc/80/93/28/1424809328.db2.gz KKTJPEUPWKWMSS-HXUWFJFHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724323342 1424809332 /nfs/dbraw/zinc/80/93/32/1424809332.db2.gz KKTJPEUPWKWMSS-HXUWFJFHSA-N 1 3 337.552 3.125 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001724696149 1425055768 /nfs/dbraw/zinc/05/57/68/1425055768.db2.gz HBBZQTIONORHJN-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001724754863 1425125771 /nfs/dbraw/zinc/12/57/71/1425125771.db2.gz PSMAAVLSZGCISN-WGSAOQKQSA-N 1 3 335.536 3.093 10 0 EGAEHO CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001724890966 1425277927 /nfs/dbraw/zinc/27/79/27/1425277927.db2.gz IMXVEQNINFBDNZ-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966066 1425358236 /nfs/dbraw/zinc/35/82/36/1425358236.db2.gz LKQWZICGMQDXCV-MJRGOJFPSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966066 1425358240 /nfs/dbraw/zinc/35/82/40/1425358240.db2.gz LKQWZICGMQDXCV-MJRGOJFPSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979631 1425381634 /nfs/dbraw/zinc/38/16/34/1425381634.db2.gz NLMKKQLGWNVNTG-MSOLQXFVSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979631 1425381638 /nfs/dbraw/zinc/38/16/38/1425381638.db2.gz NLMKKQLGWNVNTG-MSOLQXFVSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001725066429 1425507792 /nfs/dbraw/zinc/50/77/92/1425507792.db2.gz WHTAKWISWSWPSW-MHJFOBGBSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H](C(=O)NC1(C[NH2+]CCCF)CCCCC1)N1CCCCCC1 ZINC001725229138 1425800644 /nfs/dbraw/zinc/80/06/44/1425800644.db2.gz MKYWMWRUVKILFX-KRWDZBQOSA-N 1 3 341.515 3.019 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001725668044 1426351692 /nfs/dbraw/zinc/35/16/92/1426351692.db2.gz ZOOBOAWPSNNGFH-ICSRJNTNSA-N 1 3 345.531 3.018 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001725766530 1426449050 /nfs/dbraw/zinc/44/90/50/1426449050.db2.gz JNEOGIPHHKYEKU-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391596 1427344499 /nfs/dbraw/zinc/34/44/99/1427344499.db2.gz HMQSNAVDHQPFHE-UXHICEINSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555030 1427580378 /nfs/dbraw/zinc/58/03/78/1427580378.db2.gz QFCZAXGENDZBLT-IEBWSBKVSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001731555030 1427580380 /nfs/dbraw/zinc/58/03/80/1427580380.db2.gz QFCZAXGENDZBLT-IEBWSBKVSA-N 1 3 347.547 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688284 1427736258 /nfs/dbraw/zinc/73/62/58/1427736258.db2.gz XNXZOPZMRUNSNJ-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)c1cccc(F)c1 ZINC001731808786 1427985010 /nfs/dbraw/zinc/98/50/10/1427985010.db2.gz NLIKEKROXZHLGK-MRXNPFEDSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842346 1428065715 /nfs/dbraw/zinc/06/57/15/1428065715.db2.gz PDDMFJAGFLSHKN-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842346 1428065716 /nfs/dbraw/zinc/06/57/16/1428065716.db2.gz PDDMFJAGFLSHKN-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001731854097 1428085942 /nfs/dbraw/zinc/08/59/42/1428085942.db2.gz CBJYOMNRNOAJAS-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001731854097 1428085946 /nfs/dbraw/zinc/08/59/46/1428085946.db2.gz CBJYOMNRNOAJAS-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001733596950 1429795916 /nfs/dbraw/zinc/79/59/16/1429795916.db2.gz DJRZSSYODSHWTC-XUVXKRRUSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001733596950 1429795919 /nfs/dbraw/zinc/79/59/19/1429795919.db2.gz DJRZSSYODSHWTC-XUVXKRRUSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001733682762 1429896801 /nfs/dbraw/zinc/89/68/01/1429896801.db2.gz VTGJDWDXMAEWJH-QGZVFWFLSA-N 1 3 343.515 3.404 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1)N(C)C ZINC001733710467 1429926252 /nfs/dbraw/zinc/92/62/52/1429926252.db2.gz JXGXAQGQZHQTFI-HSALFYBXSA-N 1 3 345.531 3.449 10 0 EGAEHO CCC1([NH2+]CCCC(C)C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001733803772 1430072104 /nfs/dbraw/zinc/07/21/04/1430072104.db2.gz LGRYCHJLNGTTJA-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CC(C)C1)CC2 ZINC001733910942 1437729093 /nfs/dbraw/zinc/72/90/93/1437729093.db2.gz FDWALAZLHHIINS-UHFFFAOYSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)C(C)(C)N1CCCC1 ZINC001734021461 1437810154 /nfs/dbraw/zinc/81/01/54/1437810154.db2.gz JVCNYZRHVWGKQR-UHFFFAOYSA-N 1 3 339.568 3.371 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262028 1437979323 /nfs/dbraw/zinc/97/93/23/1437979323.db2.gz HQUCFFFVSHHCHP-IEBWSBKVSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC001734285787 1438013979 /nfs/dbraw/zinc/01/39/79/1438013979.db2.gz FIVYQOIKOCNYPW-IEBWSBKVSA-N 1 3 345.531 3.352 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001734299575 1438030506 /nfs/dbraw/zinc/03/05/06/1438030506.db2.gz CDTHKPZYPXBJHR-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001734579408 1438171903 /nfs/dbraw/zinc/17/19/03/1438171903.db2.gz UNSAIXVOMFIDKI-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1)N1CCCCCC1 ZINC001734607189 1438186427 /nfs/dbraw/zinc/18/64/27/1438186427.db2.gz JKCBEOPMLZWFOX-QGZVFWFLSA-N 1 3 347.547 3.022 10 0 EGAEHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000368450776 168357701 /nfs/dbraw/zinc/35/77/01/168357701.db2.gz LZUNKBKJIHKHRP-IBGZPJMESA-N 1 3 335.536 3.022 10 0 EGAEHO CN(CC1CC[NH2+]CC1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000261652887 282393467 /nfs/dbraw/zinc/39/34/67/282393467.db2.gz GMVLMPFKNRGENF-GOSISDBHSA-N 1 3 330.863 3.151 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccccc1F ZINC000130314936 205234215 /nfs/dbraw/zinc/23/42/15/205234215.db2.gz BYQGRXCCDXSSPL-NDXORKPFSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccccc1F ZINC000130314936 205234218 /nfs/dbraw/zinc/23/42/18/205234218.db2.gz BYQGRXCCDXSSPL-NDXORKPFSA-N 1 3 342.458 3.359 10 0 EGAEHO O[C@H](Cc1cccc(Cl)c1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000346832765 156157314 /nfs/dbraw/zinc/15/73/14/156157314.db2.gz VYUXWGKWYBJSKH-LJQANCHMSA-N 1 3 336.907 3.051 10 0 EGAEHO CC[NH+](CC)CCCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000372809905 157389138 /nfs/dbraw/zinc/38/91/38/157389138.db2.gz KVCXRBKHMYNEES-UHFFFAOYSA-N 1 3 332.414 3.340 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248827682 163036323 /nfs/dbraw/zinc/03/63/23/163036323.db2.gz HLQOWVXCQAQNJJ-PXNSSMCTSA-N 1 3 326.488 3.343 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248827682 163036324 /nfs/dbraw/zinc/03/63/24/163036324.db2.gz HLQOWVXCQAQNJJ-PXNSSMCTSA-N 1 3 326.488 3.343 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCCSCC)CC1 ZINC000337253909 163181390 /nfs/dbraw/zinc/18/13/90/163181390.db2.gz LYWIQIJMJFFJDB-UHFFFAOYSA-N 1 3 335.561 3.451 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cnc(-c3ccncc3)s2)CC1 ZINC000344222423 164130091 /nfs/dbraw/zinc/13/00/91/164130091.db2.gz YPDTYPVBYVLHRY-UHFFFAOYSA-N 1 3 330.501 3.417 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274887433 267302107 /nfs/dbraw/zinc/30/21/07/267302107.db2.gz ITVPVURZZWAVMP-APWZRJJASA-N 1 3 342.458 3.318 10 0 EGAEHO C[C@@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000278831059 275278861 /nfs/dbraw/zinc/27/88/61/275278861.db2.gz TZITVOLKMYOYJR-WCXIOVBPSA-N 1 3 342.405 3.085 10 0 EGAEHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000358320443 281116847 /nfs/dbraw/zinc/11/68/47/281116847.db2.gz PLTIOBDQHFBZMG-HSALFYBXSA-N 1 3 344.499 3.176 10 0 EGAEHO Cc1ccccc1[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182622848 302118212 /nfs/dbraw/zinc/11/82/12/302118212.db2.gz MBCHUSMLQJLXIV-WRURNZQNSA-N 1 3 327.516 3.299 10 0 EGAEHO Cc1ccccc1[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182622848 302118214 /nfs/dbraw/zinc/11/82/14/302118214.db2.gz MBCHUSMLQJLXIV-WRURNZQNSA-N 1 3 327.516 3.299 10 0 EGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000414294311 309071096 /nfs/dbraw/zinc/07/10/96/309071096.db2.gz BYAUMIFGFLJUAK-FQEVSTJZSA-N 1 3 339.483 3.149 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000397494352 308904533 /nfs/dbraw/zinc/90/45/33/308904533.db2.gz ACJXJNGBRQOCEZ-INIZCTEOSA-N 1 3 330.497 3.426 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000397573521 308904626 /nfs/dbraw/zinc/90/46/26/308904626.db2.gz ZUZCRCSHUQWBNJ-WSTZPKSXSA-N 1 3 330.516 3.428 10 0 EGAEHO CCOc1ccc(C2(CNC[C@H]([NH3+])CC(C)C)CCOCC2)cc1 ZINC000415085446 309119388 /nfs/dbraw/zinc/11/93/88/309119388.db2.gz IFOOCQINNPOMDG-GOSISDBHSA-N 1 3 334.504 3.097 10 0 EGAEHO CN(C)Cc1cc(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)ccc1F ZINC000415111588 309121011 /nfs/dbraw/zinc/12/10/11/309121011.db2.gz RGHBYRORLXEUFG-PZJWPPBQSA-N 1 3 341.474 3.470 10 0 EGAEHO CN(C)Cc1cc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1F ZINC000415111588 309121012 /nfs/dbraw/zinc/12/10/12/309121012.db2.gz RGHBYRORLXEUFG-PZJWPPBQSA-N 1 3 341.474 3.470 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000415896212 309146529 /nfs/dbraw/zinc/14/65/29/309146529.db2.gz CYFUSJQAUJJLOJ-INIZCTEOSA-N 1 3 332.492 3.040 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000415896212 309146530 /nfs/dbraw/zinc/14/65/30/309146530.db2.gz CYFUSJQAUJJLOJ-INIZCTEOSA-N 1 3 332.492 3.040 10 0 EGAEHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC3(C2)CCCCC3)cc1 ZINC000421345438 309319468 /nfs/dbraw/zinc/31/94/68/309319468.db2.gz XBYVVPIZGRXNBG-UHFFFAOYSA-N 1 3 343.515 3.181 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000421369937 309320942 /nfs/dbraw/zinc/32/09/42/309320942.db2.gz BLHYWIIVPWNJRA-WOJBJXKFSA-N 1 3 345.531 3.266 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)nc2c1 ZINC000422699059 309363480 /nfs/dbraw/zinc/36/34/80/309363480.db2.gz CIHSOCSFPCSADJ-BRWVUGGUSA-N 1 3 326.488 3.396 10 0 EGAEHO c1ccc2[nH]c(CCCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc2c1 ZINC000422699059 309363481 /nfs/dbraw/zinc/36/34/81/309363481.db2.gz CIHSOCSFPCSADJ-BRWVUGGUSA-N 1 3 326.488 3.396 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707020 309363940 /nfs/dbraw/zinc/36/39/40/309363940.db2.gz GLMCYCNKRNPIGE-VNTMZGSJSA-N 1 3 333.495 3.329 10 0 EGAEHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422753838 309366735 /nfs/dbraw/zinc/36/67/35/309366735.db2.gz FERRIGFIZCBKMA-GBESFXJTSA-N 1 3 332.488 3.147 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871270 309373139 /nfs/dbraw/zinc/37/31/39/309373139.db2.gz YNGOXMBOUKHEIU-ZFWWWQNUSA-N 1 3 346.425 3.056 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962751 309378402 /nfs/dbraw/zinc/37/84/02/309378402.db2.gz GUCAPALDLNOOQL-JXFKEZNVSA-N 1 3 332.536 3.400 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423127678 309387224 /nfs/dbraw/zinc/38/72/24/309387224.db2.gz CIHBVYFIZLZRHR-NSHDSACASA-N 1 3 338.377 3.156 10 0 EGAEHO c1cn(C2CCCC2)nc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000436472305 309756320 /nfs/dbraw/zinc/75/63/20/309756320.db2.gz ZUTSMKFXYXXPPR-UHFFFAOYSA-N 1 3 325.460 3.152 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H](O)C2CCOCC2)CC1 ZINC000449158295 310041043 /nfs/dbraw/zinc/04/10/43/310041043.db2.gz YHESVBYVKFWMLH-GOSISDBHSA-N 1 3 340.552 3.043 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000449168268 310041966 /nfs/dbraw/zinc/04/19/66/310041966.db2.gz CZGZYQHDBAEPAH-DBXWQHBBSA-N 1 3 329.532 3.154 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000449493591 310066640 /nfs/dbraw/zinc/06/66/40/310066640.db2.gz FDYDOMOVMGUPEF-RXVVDRJESA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000449493591 310066641 /nfs/dbraw/zinc/06/66/41/310066641.db2.gz FDYDOMOVMGUPEF-RXVVDRJESA-N 1 3 345.531 3.075 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@H](NCC3=CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453280649 310268999 /nfs/dbraw/zinc/26/89/99/310268999.db2.gz FYPSUNQLHRTVEO-PWRODBHTSA-N 1 3 326.484 3.366 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@H](NCC3=CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453280649 310269000 /nfs/dbraw/zinc/26/90/00/310269000.db2.gz FYPSUNQLHRTVEO-PWRODBHTSA-N 1 3 326.484 3.366 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)ccn1 ZINC000474040181 310784157 /nfs/dbraw/zinc/78/41/57/310784157.db2.gz ZLZRWVRQXQGQMG-HLAWJBBLSA-N 1 3 343.515 3.483 10 0 EGAEHO CC(C)C1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000488506207 311069017 /nfs/dbraw/zinc/06/90/17/311069017.db2.gz YYHFFAFOTMHDQG-UHFFFAOYSA-N 1 3 343.515 3.036 10 0 EGAEHO C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000510934498 312151187 /nfs/dbraw/zinc/15/11/87/312151187.db2.gz QVAASKIWNJOUSN-VQIMIIECSA-N 1 3 334.504 3.219 10 0 EGAEHO CN(C)[C@H]1CCC[N@H+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477295 313101458 /nfs/dbraw/zinc/10/14/58/313101458.db2.gz QCQAQKVOVXNRNF-KBWCOIMZSA-N 1 3 330.516 3.491 10 0 EGAEHO CN(C)[C@H]1CCC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477295 313101460 /nfs/dbraw/zinc/10/14/60/313101460.db2.gz QCQAQKVOVXNRNF-KBWCOIMZSA-N 1 3 330.516 3.491 10 0 EGAEHO C[NH+](C)[C@H]1CCCN(CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477295 313101461 /nfs/dbraw/zinc/10/14/61/313101461.db2.gz QCQAQKVOVXNRNF-KBWCOIMZSA-N 1 3 330.516 3.491 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572521332 317351263 /nfs/dbraw/zinc/35/12/63/317351263.db2.gz FMNAKSOQLDEWEL-PMACEKPBSA-N 1 3 339.527 3.258 10 0 EGAEHO CCN(CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1ccsc1 ZINC000572731169 317383629 /nfs/dbraw/zinc/38/36/29/317383629.db2.gz CAHDKIPFKNLTKG-SFHVURJKSA-N 1 3 345.512 3.062 10 0 EGAEHO CCN1CCC[C@@H](NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000171268522 323227299 /nfs/dbraw/zinc/22/72/99/323227299.db2.gz VQGDIMYZEGHJHK-LJQANCHMSA-N 1 3 331.504 3.131 10 0 EGAEHO CCN1CCC[C@@H](NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000171268522 323227302 /nfs/dbraw/zinc/22/73/02/323227302.db2.gz VQGDIMYZEGHJHK-LJQANCHMSA-N 1 3 331.504 3.131 10 0 EGAEHO COc1cccc2c1CCC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000580708726 325287070 /nfs/dbraw/zinc/28/70/70/325287070.db2.gz PYCBAHCNXOWNME-IBGZPJMESA-N 1 3 325.456 3.237 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1(C)C ZINC000623507240 460587652 /nfs/dbraw/zinc/58/76/52/460587652.db2.gz AGCDZRCDGVHZHU-QKNQBKEWSA-N 1 3 348.506 3.362 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1(C)C ZINC000623507240 460587655 /nfs/dbraw/zinc/58/76/55/460587655.db2.gz AGCDZRCDGVHZHU-QKNQBKEWSA-N 1 3 348.506 3.362 10 0 EGAEHO CC(C)[N@H+](C)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968603 460598511 /nfs/dbraw/zinc/59/85/11/460598511.db2.gz KVVHBICQSZKQEM-OAHLLOKOSA-N 1 3 346.302 3.053 10 0 EGAEHO CC(C)[N@@H+](C)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968603 460598514 /nfs/dbraw/zinc/59/85/14/460598514.db2.gz KVVHBICQSZKQEM-OAHLLOKOSA-N 1 3 346.302 3.053 10 0 EGAEHO CSc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534565 460600541 /nfs/dbraw/zinc/60/05/41/460600541.db2.gz UOIVRILXCZVGAL-SJLPKXTDSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534565 460600547 /nfs/dbraw/zinc/60/05/47/460600547.db2.gz UOIVRILXCZVGAL-SJLPKXTDSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N(C)C)cc1 ZINC000623534565 460600549 /nfs/dbraw/zinc/60/05/49/460600549.db2.gz UOIVRILXCZVGAL-SJLPKXTDSA-N 1 3 335.561 3.474 10 0 EGAEHO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245776145 455377610 /nfs/dbraw/zinc/37/76/10/455377610.db2.gz YDCAOSUNBYUWKH-FQVVGKCUSA-N 1 3 348.490 3.430 10 0 EGAEHO CC(=O)N1CC[C@@H]([NH2+]CCCN2CCC[C@@H](C)C2)c2ccccc2C1 ZINC000095995509 454256738 /nfs/dbraw/zinc/25/67/38/454256738.db2.gz PRTMOXDYVKZOMO-DYESRHJHSA-N 1 3 343.515 3.192 10 0 EGAEHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000132532522 454347642 /nfs/dbraw/zinc/34/76/42/454347642.db2.gz QSEPBDIKJIROJA-VQTJNVASSA-N 1 3 339.483 3.448 10 0 EGAEHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)CN1CCCC1)CC3 ZINC000123112140 454603321 /nfs/dbraw/zinc/60/33/21/454603321.db2.gz FBERTKIUFGLSGX-HZPDHXFCSA-N 1 3 341.499 3.355 10 0 EGAEHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165727151 454903210 /nfs/dbraw/zinc/90/32/10/454903210.db2.gz DDTJFXDWMALJOV-HSALFYBXSA-N 1 3 343.515 3.093 10 0 EGAEHO COc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1NC(C)=O ZINC000178256543 454944173 /nfs/dbraw/zinc/94/41/73/454944173.db2.gz LESILUVTEFBCIB-AWEZNQCLSA-N 1 3 345.487 3.179 10 0 EGAEHO CN(CCOC(C)(C)C)[C@@H]1CCC[N@H+](CCOC(C)(C)C)CC1 ZINC000156964078 455158852 /nfs/dbraw/zinc/15/88/52/455158852.db2.gz AVKJKGJCPJZCDA-QGZVFWFLSA-N 1 3 328.541 3.403 10 0 EGAEHO CN(CCOC(C)(C)C)[C@@H]1CCC[N@@H+](CCOC(C)(C)C)CC1 ZINC000156964078 455158855 /nfs/dbraw/zinc/15/88/55/455158855.db2.gz AVKJKGJCPJZCDA-QGZVFWFLSA-N 1 3 328.541 3.403 10 0 EGAEHO c1ccc2nc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc2c1 ZINC000173955308 455344622 /nfs/dbraw/zinc/34/46/22/455344622.db2.gz DWQNRPHJYVNJBL-UHFFFAOYSA-N 1 3 339.483 3.312 10 0 EGAEHO CCN(C)c1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000190703831 455370325 /nfs/dbraw/zinc/37/03/25/455370325.db2.gz VZFQAFJQTFJPCV-UHFFFAOYSA-N 1 3 338.499 3.423 10 0 EGAEHO CN1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245763534 455375540 /nfs/dbraw/zinc/37/55/40/455375540.db2.gz WASIGCXEHVAHAI-BURNTYAHSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245845941 455384745 /nfs/dbraw/zinc/38/47/45/455384745.db2.gz JHLJTXCGTSDYAE-IYWMVGAKSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000247132934 455564253 /nfs/dbraw/zinc/56/42/53/455564253.db2.gz ATPNGKRSWNQNQJ-WQANXHIZSA-N 1 3 332.488 3.091 10 0 EGAEHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588094 455876183 /nfs/dbraw/zinc/87/61/83/455876183.db2.gz JCQKQQNZVPTQLI-NQIIRXRSSA-N 1 3 339.483 3.305 10 0 EGAEHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588094 455876184 /nfs/dbraw/zinc/87/61/84/455876184.db2.gz JCQKQQNZVPTQLI-NQIIRXRSSA-N 1 3 339.483 3.305 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588094 455876185 /nfs/dbraw/zinc/87/61/85/455876185.db2.gz JCQKQQNZVPTQLI-NQIIRXRSSA-N 1 3 339.483 3.305 10 0 EGAEHO COc1cccc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098440 456478156 /nfs/dbraw/zinc/47/81/56/456478156.db2.gz SLVQCIKCALWVJH-IEBWSBKVSA-N 1 3 339.483 3.133 10 0 EGAEHO COc1cccc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348098440 456478163 /nfs/dbraw/zinc/47/81/63/456478163.db2.gz SLVQCIKCALWVJH-IEBWSBKVSA-N 1 3 339.483 3.133 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000353383583 456663598 /nfs/dbraw/zinc/66/35/98/456663598.db2.gz GEOUEESTZMQPEY-WNRNVDISSA-N 1 3 330.472 3.371 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000353383583 456663600 /nfs/dbraw/zinc/66/36/00/456663600.db2.gz GEOUEESTZMQPEY-WNRNVDISSA-N 1 3 330.472 3.371 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000348758089 456843753 /nfs/dbraw/zinc/84/37/53/456843753.db2.gz YHQFMRMNGBADGN-CNXCKVANSA-N 1 3 335.536 3.066 10 0 EGAEHO OC1(C[NH2+][C@H]2CCCC23CCC3)CCN(Cc2ccccc2)CC1 ZINC000397583447 457488917 /nfs/dbraw/zinc/48/89/17/457488917.db2.gz HUHQHWOIBQHOMN-IBGZPJMESA-N 1 3 328.500 3.326 10 0 EGAEHO Cc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1C ZINC000397633814 457490626 /nfs/dbraw/zinc/49/06/26/457490626.db2.gz ORQUHIXQKLWAPH-UHFFFAOYSA-N 1 3 338.495 3.420 10 0 EGAEHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620818 457683887 /nfs/dbraw/zinc/68/38/87/457683887.db2.gz XWXDDAIKWAIZIM-UWJYYQICSA-N 1 3 342.527 3.149 10 0 EGAEHO CC1=CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234269 457876527 /nfs/dbraw/zinc/87/65/27/457876527.db2.gz WWDDRZYNOLWIKP-PZJWPPBQSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234269 457876530 /nfs/dbraw/zinc/87/65/30/457876530.db2.gz WWDDRZYNOLWIKP-PZJWPPBQSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234269 457876534 /nfs/dbraw/zinc/87/65/34/457876534.db2.gz WWDDRZYNOLWIKP-PZJWPPBQSA-N 1 3 327.516 3.281 10 0 EGAEHO Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407293 457984129 /nfs/dbraw/zinc/98/41/29/457984129.db2.gz TZXOQYJIHIRXSG-QAPCUYQASA-N 1 3 348.512 3.381 10 0 EGAEHO CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000447543921 458307448 /nfs/dbraw/zinc/30/74/48/458307448.db2.gz UBTUVTDLIWIWJC-WOZUAGRISA-N 1 3 327.516 3.112 10 0 EGAEHO CN1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000459439618 458370810 /nfs/dbraw/zinc/37/08/10/458370810.db2.gz KMWCYKCSGDOTCF-RTBURBONSA-N 1 3 333.907 3.302 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527081 458452702 /nfs/dbraw/zinc/45/27/02/458452702.db2.gz MBRMULPWGZKUFW-MOPMALPQSA-N 1 3 332.532 3.325 10 0 EGAEHO C[C@@H]([NH2+]CC1(N)CCCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000520216666 459040037 /nfs/dbraw/zinc/04/00/37/459040037.db2.gz KQTFUUFUOHIIIO-QUCCMNQESA-N 1 3 345.531 3.090 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CCCC1 ZINC000480146129 459185637 /nfs/dbraw/zinc/18/56/37/459185637.db2.gz VWZPZRLPZWRYLC-UYAOXDASSA-N 1 3 329.532 3.361 10 0 EGAEHO CC(C)C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N(C)C ZINC000480535693 459203714 /nfs/dbraw/zinc/20/37/14/459203714.db2.gz LMJPJFPUWXRXGD-NRSPTQNISA-N 1 3 331.548 3.463 10 0 EGAEHO CC(C)C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N(C)C ZINC000480535692 459203879 /nfs/dbraw/zinc/20/38/79/459203879.db2.gz LMJPJFPUWXRXGD-HMXCVIKNSA-N 1 3 331.548 3.463 10 0 EGAEHO Cc1cc(C)c(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c(C)c1 ZINC000542592335 459574324 /nfs/dbraw/zinc/57/43/24/459574324.db2.gz RAFSSWFPDBYRRL-UHFFFAOYSA-N 1 3 343.559 3.461 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393810 459589630 /nfs/dbraw/zinc/58/96/30/459589630.db2.gz CUGMJMLFRUVUFZ-RUGGUXRKSA-N 1 3 348.556 3.396 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393810 459589635 /nfs/dbraw/zinc/58/96/35/459589635.db2.gz CUGMJMLFRUVUFZ-RUGGUXRKSA-N 1 3 348.556 3.396 10 0 EGAEHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000562986567 459686955 /nfs/dbraw/zinc/68/69/55/459686955.db2.gz MMVMYYWKSBBFBF-LJQANCHMSA-N 1 3 348.531 3.260 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC1(C)C ZINC000623347968 460503242 /nfs/dbraw/zinc/50/32/42/460503242.db2.gz NEMKYCWUFNXNDU-GOSISDBHSA-N 1 3 329.488 3.388 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1(C)C ZINC000623400608 460529273 /nfs/dbraw/zinc/52/92/73/460529273.db2.gz ZPJIEKWXKYHZSM-UXHICEINSA-N 1 3 329.532 3.013 10 0 EGAEHO Cc1csc([C@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000623899899 460767714 /nfs/dbraw/zinc/76/77/14/460767714.db2.gz XECLNIGXNFSARY-INIZCTEOSA-N 1 3 336.549 3.052 10 0 EGAEHO C[C@H](C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN(C)C ZINC000623987846 460811927 /nfs/dbraw/zinc/81/19/27/460811927.db2.gz QDMPRJYZLSHTKB-GHMZBOCLSA-N 1 3 337.817 3.472 10 0 EGAEHO C[C@H](CN[C@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+](C)C ZINC000623987846 460811931 /nfs/dbraw/zinc/81/19/31/460811931.db2.gz QDMPRJYZLSHTKB-GHMZBOCLSA-N 1 3 337.817 3.472 10 0 EGAEHO Fc1ccc(SCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591168 460819029 /nfs/dbraw/zinc/81/90/29/460819029.db2.gz BWXLLLHOEUTJHF-QGZVFWFLSA-N 1 3 338.492 3.008 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CO[C@H](C4CC4)C2)C3)cc1 ZINC000624223405 460918270 /nfs/dbraw/zinc/91/82/70/460918270.db2.gz TVANRMHCQVMLAT-ADAARDCZSA-N 1 3 326.484 3.339 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CO[C@H](C4CC4)C2)C3)cc1 ZINC000624223405 460918276 /nfs/dbraw/zinc/91/82/76/460918276.db2.gz TVANRMHCQVMLAT-ADAARDCZSA-N 1 3 326.484 3.339 10 0 EGAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624310830 460952743 /nfs/dbraw/zinc/95/27/43/460952743.db2.gz LGPAMNIJBMSNQD-YMQHIKHWSA-N 1 3 328.500 3.302 10 0 EGAEHO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248867 461141629 /nfs/dbraw/zinc/14/16/29/461141629.db2.gz LJRUBDPNXLCQRC-INIZCTEOSA-N 1 3 347.466 3.106 10 0 EGAEHO c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249274 461142571 /nfs/dbraw/zinc/14/25/71/461142571.db2.gz RXKBRGKDTSZVLB-FPOVZHCZSA-N 1 3 334.463 3.155 10 0 EGAEHO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249274 461142574 /nfs/dbraw/zinc/14/25/74/461142574.db2.gz RXKBRGKDTSZVLB-FPOVZHCZSA-N 1 3 334.463 3.155 10 0 EGAEHO Clc1ccc(CC[N@H+](CC2CC2)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662254105 461143838 /nfs/dbraw/zinc/14/38/38/461143838.db2.gz FKNKHMRQVUCJGJ-SFHVURJKSA-N 1 3 334.891 3.116 10 0 EGAEHO Clc1ccc(CC[N@@H+](CC2CC2)C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662254105 461143844 /nfs/dbraw/zinc/14/38/44/461143844.db2.gz FKNKHMRQVUCJGJ-SFHVURJKSA-N 1 3 334.891 3.116 10 0 EGAEHO c1ccc2c(c1)CCN2C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662279339 461163031 /nfs/dbraw/zinc/16/30/31/461163031.db2.gz RUCWEOCYZRHBPH-UHFFFAOYSA-N 1 3 347.506 3.359 10 0 EGAEHO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298189 461174853 /nfs/dbraw/zinc/17/48/53/461174853.db2.gz UUVXOOJJNKZCKU-GOEBONIOSA-N 1 3 349.906 3.379 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@H](C)O1 ZINC000649721037 461304156 /nfs/dbraw/zinc/30/41/56/461304156.db2.gz IVNXPUSAPDFWIS-JXYJOFSCSA-N 1 3 328.500 3.443 10 0 EGAEHO c1cnn(C2CC([NH2+]CC3CCN(Cc4cccs4)CC3)C2)c1 ZINC000638456168 461438106 /nfs/dbraw/zinc/43/81/06/461438106.db2.gz IEJJGFWZEIACED-UHFFFAOYSA-N 1 3 330.501 3.150 10 0 EGAEHO COc1ccc(-c2nc(CNC[C@H]3C[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000655825986 461480115 /nfs/dbraw/zinc/48/01/15/461480115.db2.gz ATNKVOIBGMUFSW-AKAXFMLLSA-N 1 3 331.485 3.249 10 0 EGAEHO OC[C@H]1CCC[N@@H+]1CCCCNCc1oc2ccccc2c1Cl ZINC000631068842 461520845 /nfs/dbraw/zinc/52/08/45/461520845.db2.gz XIGGSGBEKCMBSR-CQSZACIVSA-N 1 3 336.863 3.413 10 0 EGAEHO OC[C@H]1CCC[N@H+]1CCCCNCc1oc2ccccc2c1Cl ZINC000631068842 461520854 /nfs/dbraw/zinc/52/08/54/461520854.db2.gz XIGGSGBEKCMBSR-CQSZACIVSA-N 1 3 336.863 3.413 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCN(CC4CC4)C3)CC23CC3)cc1 ZINC000647181664 461551107 /nfs/dbraw/zinc/55/11/07/461551107.db2.gz MHIIYJHWBVBOAD-LEWJYISDSA-N 1 3 339.527 3.258 10 0 EGAEHO C[N@@H+]1C[C@@H](CNCc2ccc(-n3ccnc3)cc2)[C@H](c2ccccc2)C1 ZINC000647248514 461589434 /nfs/dbraw/zinc/58/94/34/461589434.db2.gz DWKRFNDAIFOLSY-IRLDBZIGSA-N 1 3 346.478 3.307 10 0 EGAEHO C[N@H+]1C[C@@H](CNCc2ccc(-n3ccnc3)cc2)[C@H](c2ccccc2)C1 ZINC000647248514 461589440 /nfs/dbraw/zinc/58/94/40/461589440.db2.gz DWKRFNDAIFOLSY-IRLDBZIGSA-N 1 3 346.478 3.307 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000663502122 461675088 /nfs/dbraw/zinc/67/50/88/461675088.db2.gz FWZWSPKJWJJUQB-XHDPSFHLSA-N 1 3 331.273 3.482 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543540 461756430 /nfs/dbraw/zinc/75/64/30/461756430.db2.gz OZAIZFGRDMLCQK-JKSUJKDBSA-N 1 3 342.512 3.417 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@H](C3CCC3)C3CCCCC3)C2)CC1 ZINC000643883253 461825661 /nfs/dbraw/zinc/82/56/61/461825661.db2.gz GSVMWKVFFRHDLG-FPOVZHCZSA-N 1 3 333.564 3.494 10 0 EGAEHO COc1cc2c(cc1CN1CCC[C@@H](C3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000656785196 461896214 /nfs/dbraw/zinc/89/62/14/461896214.db2.gz KOUCCGCMMXKQFM-DOTOQJQBSA-N 1 3 344.499 3.230 10 0 EGAEHO CC(C)[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1(CO)CC=CC1 ZINC000648069925 461966607 /nfs/dbraw/zinc/96/66/07/461966607.db2.gz SJBFYFHOYMAQOG-FQEVSTJZSA-N 1 3 346.515 3.070 10 0 EGAEHO CCCc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593901 462195165 /nfs/dbraw/zinc/19/51/65/462195165.db2.gz CFMYOWRZRPRGJN-QFIPXVFZSA-N 1 3 338.495 3.496 10 0 EGAEHO CCCc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593901 462195170 /nfs/dbraw/zinc/19/51/70/462195170.db2.gz CFMYOWRZRPRGJN-QFIPXVFZSA-N 1 3 338.495 3.496 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)c(Cl)c3)cc2)C1 ZINC000657595390 462196877 /nfs/dbraw/zinc/19/68/77/462196877.db2.gz HUZOUNYLTMGYOZ-QGZVFWFLSA-N 1 3 348.849 3.336 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)c(Cl)c3)cc2)C1 ZINC000657595390 462196883 /nfs/dbraw/zinc/19/68/83/462196883.db2.gz HUZOUNYLTMGYOZ-QGZVFWFLSA-N 1 3 348.849 3.336 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCO[C@@H]1CC1(F)F ZINC000657619174 462206920 /nfs/dbraw/zinc/20/69/20/462206920.db2.gz STOXOUQDCXJMPR-MRXNPFEDSA-N 1 3 326.431 3.158 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCO[C@@H]1CC1(F)F ZINC000657619174 462206922 /nfs/dbraw/zinc/20/69/22/462206922.db2.gz STOXOUQDCXJMPR-MRXNPFEDSA-N 1 3 326.431 3.158 10 0 EGAEHO NC(=O)CC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000657799035 462273568 /nfs/dbraw/zinc/27/35/68/462273568.db2.gz UJLAKHXPTJAJFQ-UHFFFAOYSA-N 1 3 335.536 3.199 10 0 EGAEHO COC[C@H](CC1CCOCC1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000657859955 462300014 /nfs/dbraw/zinc/30/00/14/462300014.db2.gz ZRIPLVNINHETTH-FQEVSTJZSA-N 1 3 338.536 3.062 10 0 EGAEHO COC[C@H](CC1CCOCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000657859955 462300016 /nfs/dbraw/zinc/30/00/16/462300016.db2.gz ZRIPLVNINHETTH-FQEVSTJZSA-N 1 3 338.536 3.062 10 0 EGAEHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657901998 462311932 /nfs/dbraw/zinc/31/19/32/462311932.db2.gz YSJZPSOEXMKDAF-GOSISDBHSA-N 1 3 334.529 3.019 10 0 EGAEHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657902000 462312212 /nfs/dbraw/zinc/31/22/12/462312212.db2.gz YSJZPSOEXMKDAF-SFHVURJKSA-N 1 3 334.529 3.019 10 0 EGAEHO CC[C@H](COCC1CC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236657 462363684 /nfs/dbraw/zinc/36/36/84/462363684.db2.gz RQCNXWVSAIFMEH-KPFFTGBYSA-N 1 3 330.472 3.037 10 0 EGAEHO C[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)c1ccccn1 ZINC000658063630 462363689 /nfs/dbraw/zinc/36/36/89/462363689.db2.gz KQVSPFQOJMXREC-IAGOWNOFSA-N 1 3 327.472 3.476 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C2(O)CC2)CC1 ZINC000651878660 462365495 /nfs/dbraw/zinc/36/54/95/462365495.db2.gz YCZQEIYLIKYGHB-UHFFFAOYSA-N 1 3 330.516 3.382 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C2(O)CC2)CC1 ZINC000651878660 462365497 /nfs/dbraw/zinc/36/54/97/462365497.db2.gz YCZQEIYLIKYGHB-UHFFFAOYSA-N 1 3 330.516 3.382 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)cc2)C1 ZINC000658138914 462401454 /nfs/dbraw/zinc/40/14/54/462401454.db2.gz PAIOZKFJIODWAG-NJYVYQBISA-N 1 3 328.500 3.312 10 0 EGAEHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCCCC1 ZINC000658142529 462405204 /nfs/dbraw/zinc/40/52/04/462405204.db2.gz ZSFVXIHUIGEIPL-XLIONFOSSA-N 1 3 346.515 3.081 10 0 EGAEHO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658144341 462406523 /nfs/dbraw/zinc/40/65/23/462406523.db2.gz LRQADRPKIKRZPQ-VXKWHMMOSA-N 1 3 338.495 3.364 10 0 EGAEHO COc1cccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658143274 462407091 /nfs/dbraw/zinc/40/70/91/462407091.db2.gz HBCYRSZCTNNDPM-UZLBHIALSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1cccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658143274 462407098 /nfs/dbraw/zinc/40/70/98/462407098.db2.gz HBCYRSZCTNNDPM-UZLBHIALSA-N 1 3 340.467 3.113 10 0 EGAEHO CN(C)CCN1CCC([NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652138650 462445989 /nfs/dbraw/zinc/44/59/89/462445989.db2.gz LDINOLQJJQGARB-NRFANRHFSA-N 1 3 344.547 3.319 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@]3(CCN(CCC[C@H]4CCOC4)C3)C2)cc1 ZINC000645910630 462465059 /nfs/dbraw/zinc/46/50/59/462465059.db2.gz SNEDZFWTYPPQMQ-SFTDATJTSA-N 1 3 328.500 3.401 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@]3(CCN(CCC[C@H]4CCOC4)C3)C2)cc1 ZINC000645910630 462465063 /nfs/dbraw/zinc/46/50/63/462465063.db2.gz SNEDZFWTYPPQMQ-SFTDATJTSA-N 1 3 328.500 3.401 10 0 EGAEHO C[C@H](O)[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361150 462489881 /nfs/dbraw/zinc/48/98/81/462489881.db2.gz KWTAOAPDJWMGPB-XGHQBKJUSA-N 1 3 342.483 3.400 10 0 EGAEHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CC2CCC2)CC1 ZINC000662155970 462532545 /nfs/dbraw/zinc/53/25/45/462532545.db2.gz JECLQCPLQRAZQK-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO CCO[C@@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222580 535497254 /nfs/dbraw/zinc/49/72/54/535497254.db2.gz LBUSXWKGMCUJEJ-RBUKOAKNSA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222580 535497263 /nfs/dbraw/zinc/49/72/63/535497263.db2.gz LBUSXWKGMCUJEJ-RBUKOAKNSA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)C12CCOCC2 ZINC000186222580 535497266 /nfs/dbraw/zinc/49/72/66/535497266.db2.gz LBUSXWKGMCUJEJ-RBUKOAKNSA-N 1 3 338.536 3.205 10 0 EGAEHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H]1CCOC1 ZINC000310183649 547461074 /nfs/dbraw/zinc/46/10/74/547461074.db2.gz WYIYTMJUSHPQQO-VIYGXFRKSA-N 1 3 328.500 3.302 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(-c2ccc(C)o2)s1 ZINC000129204540 1293617492 /nfs/dbraw/zinc/61/74/92/1293617492.db2.gz GGTKKGQHWGUZSO-AWEZNQCLSA-N 1 3 337.489 3.158 10 0 EGAEHO CC(C)[NH+]1CCC(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000158224991 1294200363 /nfs/dbraw/zinc/20/03/63/1294200363.db2.gz HMUHVHBTUNGLGC-KRWDZBQOSA-N 1 3 339.524 3.238 10 0 EGAEHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000872084015 1296723974 /nfs/dbraw/zinc/72/39/74/1296723974.db2.gz CMZVJERTJRJAIT-VQTJNVASSA-N 1 3 331.504 3.088 10 0 EGAEHO CN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000390665031 1297632416 /nfs/dbraw/zinc/63/24/16/1297632416.db2.gz QTSHVFGNRJLPMD-VQTJNVASSA-N 1 3 329.532 3.361 10 0 EGAEHO COc1cc(C)cc(CN2CCC3(CC2)CC[NH+](C)CC3)c1OC ZINC000895440048 1309337272 /nfs/dbraw/zinc/33/72/72/1309337272.db2.gz MVUPUJQBTYONPF-UHFFFAOYSA-N 1 3 332.488 3.320 10 0 EGAEHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cnc1Br ZINC000929783383 1328699486 /nfs/dbraw/zinc/69/94/86/1328699486.db2.gz QFXWCARXKWSLRF-GXTWGEPZSA-N 1 3 326.282 3.067 10 0 EGAEHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cnc1Br ZINC000929783383 1328699493 /nfs/dbraw/zinc/69/94/93/1328699493.db2.gz QFXWCARXKWSLRF-GXTWGEPZSA-N 1 3 326.282 3.067 10 0 EGAEHO CC[N@H+](CCC1CCN(Cc2cnn(CCF)c2)CC1)CC(C)C ZINC000930180327 1328805678 /nfs/dbraw/zinc/80/56/78/1328805678.db2.gz VHJXIZFAHHQKBV-UHFFFAOYSA-N 1 3 338.515 3.433 10 0 EGAEHO CC[N@@H+](CCC1CCN(Cc2cnn(CCF)c2)CC1)CC(C)C ZINC000930180327 1328805679 /nfs/dbraw/zinc/80/56/79/1328805679.db2.gz VHJXIZFAHHQKBV-UHFFFAOYSA-N 1 3 338.515 3.433 10 0 EGAEHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccnc(F)c1 ZINC000859225815 1328950892 /nfs/dbraw/zinc/95/08/92/1328950892.db2.gz LBYRXQHDOJKCDF-UHFFFAOYSA-N 1 3 328.435 3.354 10 0 EGAEHO CN(CCC[NH2+]C1CC1)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000923310458 1322730947 /nfs/dbraw/zinc/73/09/47/1322730947.db2.gz VWFQBHRUUDTROX-UHFFFAOYSA-N 1 3 330.451 3.222 10 0 EGAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c(Cl)oc3ccccc31)CC2 ZINC000923444897 1322752835 /nfs/dbraw/zinc/75/28/35/1322752835.db2.gz IPSRFSYSEHQGJH-ZDUSSCGKSA-N 1 3 334.847 3.416 10 0 EGAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(COCc2ccco2)c1 ZINC000924652183 1323093401 /nfs/dbraw/zinc/09/34/01/1323093401.db2.gz CQIMKZFMSYZGJJ-PMSBKCLSSA-N 1 3 340.467 3.426 10 0 EGAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(COCc2ccco2)c1 ZINC000924652183 1323093413 /nfs/dbraw/zinc/09/34/13/1323093413.db2.gz CQIMKZFMSYZGJJ-PMSBKCLSSA-N 1 3 340.467 3.426 10 0 EGAEHO CCn1nc(C)c([C@H](C)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000924864837 1323192306 /nfs/dbraw/zinc/19/23/06/1323192306.db2.gz CZGXGYMTDUFYOZ-AWEZNQCLSA-N 1 3 347.532 3.231 10 0 EGAEHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000925406517 1325143100 /nfs/dbraw/zinc/14/31/00/1325143100.db2.gz FLODNGWDHUTOQG-MCPYQZEQSA-N 1 3 342.512 3.068 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2nccc3Cl)C[C@H](C)O1 ZINC000925438460 1325149594 /nfs/dbraw/zinc/14/95/94/1325149594.db2.gz AXVBKEQQZVZBIR-VBQJREDUSA-N 1 3 337.895 3.201 10 0 EGAEHO COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925580129 1325219477 /nfs/dbraw/zinc/21/94/77/1325219477.db2.gz IQRNCIOXOOKKBM-RTBURBONSA-N 1 3 345.487 3.165 10 0 EGAEHO [NH3+][C@H]1C[C@H](NCC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594273 1325224988 /nfs/dbraw/zinc/22/49/88/1325224988.db2.gz QDSLWMCOSWIOHD-IRXDYDNUSA-N 1 3 334.891 3.248 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925653554 1325249042 /nfs/dbraw/zinc/24/90/42/1325249042.db2.gz NCHRJBKPGKRVRY-OJAHFUOMSA-N 1 3 327.516 3.269 10 0 EGAEHO C[C@H](O)[C@](C)(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925659536 1325253090 /nfs/dbraw/zinc/25/30/90/1325253090.db2.gz WAHJYWNJGOJTKO-XGARDCMYSA-N 1 3 344.543 3.374 10 0 EGAEHO Cn1ncc(C(F)(F)F)c1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925721763 1325269583 /nfs/dbraw/zinc/26/95/83/1325269583.db2.gz FNFWEKAUDPWLCT-CQSZACIVSA-N 1 3 326.366 3.009 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)s1 ZINC000925777532 1325296955 /nfs/dbraw/zinc/29/69/55/1325296955.db2.gz FGFBUMZIZJECPH-BDAKNGLRSA-N 1 3 339.249 3.406 10 0 EGAEHO Cc1ccc2cc([C@H](C)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850733 1325329669 /nfs/dbraw/zinc/32/96/69/1325329669.db2.gz PPYWGECWBRJYGC-GOEBONIOSA-N 1 3 342.439 3.077 10 0 EGAEHO O=C1O[C@@H](CNC2c3ccccc3-c3ccccc32)CC12CC[NH2+]CC2 ZINC000925857972 1325333153 /nfs/dbraw/zinc/33/31/53/1325333153.db2.gz QZXSYLUVKUXNRF-OAHLLOKOSA-N 1 3 348.446 3.031 10 0 EGAEHO c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925880991 1325341328 /nfs/dbraw/zinc/34/13/28/1325341328.db2.gz PFGSRJUWJUTKQG-NJDAHSKKSA-N 1 3 328.500 3.448 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@@H](C)N2CCCCC2)n(C)n1 ZINC000926141721 1325444628 /nfs/dbraw/zinc/44/46/28/1325444628.db2.gz INQAMIAIJILFCE-WSTZPKSXSA-N 1 3 332.536 3.294 10 0 EGAEHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)CC2)C1 ZINC000927058178 1327833246 /nfs/dbraw/zinc/83/32/46/1327833246.db2.gz OSXRTKBOUSYMAM-BHNDVYRESA-N 1 3 336.520 3.302 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000928010507 1328170228 /nfs/dbraw/zinc/17/02/28/1328170228.db2.gz CJENAQFNLQKYRT-UHFFFAOYSA-N 1 3 343.515 3.275 10 0 EGAEHO C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001323083249 1387285361 /nfs/dbraw/zinc/28/53/61/1387285361.db2.gz YJTJLMAVTUZJCQ-PXNSSMCTSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001325465648 1387982328 /nfs/dbraw/zinc/98/23/28/1387982328.db2.gz HYKYGNXCGNZVKL-PXNSSMCTSA-N 1 3 343.515 3.155 10 0 EGAEHO C[C@H]1CCc2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2C1 ZINC001118438026 1371181898 /nfs/dbraw/zinc/18/18/98/1371181898.db2.gz DHJSJOPAZYDRMB-GOEBONIOSA-N 1 3 333.545 3.480 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001326542763 1388235182 /nfs/dbraw/zinc/23/51/82/1388235182.db2.gz ZDRXOZMHAHZOLU-KZNAEPCWSA-N 1 3 339.568 3.275 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001265978419 1377175053 /nfs/dbraw/zinc/17/50/53/1377175053.db2.gz MLNGDZOMZKWEOL-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001265978419 1377175055 /nfs/dbraw/zinc/17/50/55/1377175055.db2.gz MLNGDZOMZKWEOL-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@@H](CN(C)C/C=C/c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741545 1377523630 /nfs/dbraw/zinc/52/36/30/1377523630.db2.gz TZGPBBFEYFGWSL-HGZMWJMZSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001273084304 1378086978 /nfs/dbraw/zinc/08/69/78/1378086978.db2.gz JLBSQOMEKIPMBQ-SFHVURJKSA-N 1 3 347.547 3.068 10 0 EGAEHO C[C@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001276634336 1378182687 /nfs/dbraw/zinc/18/26/87/1378182687.db2.gz SMNQADDZIIAYFU-LPHOPBHVSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001141779301 1378374801 /nfs/dbraw/zinc/37/48/01/1378374801.db2.gz ANVJVQQKRLOQQN-FXAWDEMLSA-N 1 3 347.547 3.192 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001281968889 1378465895 /nfs/dbraw/zinc/46/58/95/1378465895.db2.gz QZHNOVLUPKJTAM-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001281968889 1378465896 /nfs/dbraw/zinc/46/58/96/1378465896.db2.gz QZHNOVLUPKJTAM-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)N(C)C ZINC001282677958 1378549323 /nfs/dbraw/zinc/54/93/23/1378549323.db2.gz LBCCMLHADFDDDK-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCCC1)N(C)C ZINC001282677958 1378549326 /nfs/dbraw/zinc/54/93/26/1378549326.db2.gz LBCCMLHADFDDDK-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001282678381 1378550429 /nfs/dbraw/zinc/55/04/29/1378550429.db2.gz RTXLBCVCNUMYLD-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001282678381 1378550432 /nfs/dbraw/zinc/55/04/32/1378550432.db2.gz RTXLBCVCNUMYLD-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)C(C)(C)N1CCCCC1)c1ccccc1 ZINC001283434606 1378926694 /nfs/dbraw/zinc/92/66/94/1378926694.db2.gz RFKYUYZXLRKHFU-LJQANCHMSA-N 1 3 345.531 3.498 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001284529257 1379932950 /nfs/dbraw/zinc/93/29/50/1379932950.db2.gz FTFWDWLRCLRAAW-HKUYNNGSSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001284529257 1379932954 /nfs/dbraw/zinc/93/29/54/1379932954.db2.gz FTFWDWLRCLRAAW-HKUYNNGSSA-N 1 3 331.504 3.011 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCCC(C)(C)C)C1 ZINC001328763401 1388846951 /nfs/dbraw/zinc/84/69/51/1388846951.db2.gz CQSNTPMQFHTCGU-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001328763401 1388846953 /nfs/dbraw/zinc/84/69/53/1388846953.db2.gz CQSNTPMQFHTCGU-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001316623930 1384489397 /nfs/dbraw/zinc/48/93/97/1384489397.db2.gz LECDMGOEGTXYES-KSZLIROESA-N 1 3 337.552 3.170 10 0 EGAEHO CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001316679297 1384520240 /nfs/dbraw/zinc/52/02/40/1384520240.db2.gz AVYKBYKWZBMJJV-MSOLQXFVSA-N 1 3 339.568 3.371 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)N(C)C ZINC001316998356 1384755517 /nfs/dbraw/zinc/75/55/17/1384755517.db2.gz MQYRASXQRDRLMH-MOPGFXCFSA-N 1 3 347.547 3.188 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001317268839 1385038557 /nfs/dbraw/zinc/03/85/57/1385038557.db2.gz ACWWNZMOUFAYJE-PXNSSMCTSA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001698612175 1406242290 /nfs/dbraw/zinc/24/22/90/1406242290.db2.gz GFJNNSIZCACIJB-PKOBYXMFSA-N 1 3 345.531 3.136 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318543095 1385746116 /nfs/dbraw/zinc/74/61/16/1385746116.db2.gz WDYDFGFACBYVCO-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250301 1386024841 /nfs/dbraw/zinc/02/48/41/1386024841.db2.gz KREQZIDWYLUHRW-WMZOPIPTSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001319251398 1386025803 /nfs/dbraw/zinc/02/58/03/1386025803.db2.gz SAFUFOQRRZBTGC-IRXDYDNUSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)cs1 ZINC001319735412 1386273864 /nfs/dbraw/zinc/27/38/64/1386273864.db2.gz FHRRRRHFSQJHJK-QZTJIDSGSA-N 1 3 349.544 3.012 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001698638797 1406286005 /nfs/dbraw/zinc/28/60/05/1406286005.db2.gz KMFDJUANXOGQBQ-LJQANCHMSA-N 1 3 343.515 3.034 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001319805590 1386305216 /nfs/dbraw/zinc/30/52/16/1386305216.db2.gz IGEXUZIPGQEBNY-MOPGFXCFSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001319868265 1386346767 /nfs/dbraw/zinc/34/67/67/1386346767.db2.gz KCMBVOVQGNBVKF-IEBWSBKVSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001698673919 1406322703 /nfs/dbraw/zinc/32/27/03/1406322703.db2.gz OQLZUTVPVKAXLK-WOJBJXKFSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl ZINC001329341961 1389068393 /nfs/dbraw/zinc/06/83/93/1389068393.db2.gz LFLFKHVUUANKSI-YHWKNFMLSA-N 1 3 343.943 3.076 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC001329570248 1389160376 /nfs/dbraw/zinc/16/03/76/1389160376.db2.gz DCPVVYYQPLAJQV-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001329570248 1389160379 /nfs/dbraw/zinc/16/03/79/1389160379.db2.gz DCPVVYYQPLAJQV-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC001698719772 1406364308 /nfs/dbraw/zinc/36/43/08/1406364308.db2.gz YARIESVRZWRMMN-UHFFFAOYSA-N 1 3 345.531 3.313 10 0 EGAEHO CN(C)C1(C(=O)NCCC2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001698723304 1406371157 /nfs/dbraw/zinc/37/11/57/1406371157.db2.gz QGCIXOKTXXENEI-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001330514900 1389440221 /nfs/dbraw/zinc/44/02/21/1389440221.db2.gz RYKPOOZOMRMLFC-SFHVURJKSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001330514900 1389440225 /nfs/dbraw/zinc/44/02/25/1389440225.db2.gz RYKPOOZOMRMLFC-SFHVURJKSA-N 1 3 343.515 3.012 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001698729932 1406379871 /nfs/dbraw/zinc/37/98/71/1406379871.db2.gz IDKZIDIWYZCXGS-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001331438979 1389749203 /nfs/dbraw/zinc/74/92/03/1389749203.db2.gz KVCNEOPRMBAGKI-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001331470003 1389761190 /nfs/dbraw/zinc/76/11/90/1389761190.db2.gz MALOWOHTWAPDTB-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644640 1389843775 /nfs/dbraw/zinc/84/37/75/1389843775.db2.gz PYTJYIITYUROLQ-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001333003745 1390234437 /nfs/dbraw/zinc/23/44/37/1390234437.db2.gz FARAROXKKXNGSX-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001479487284 1392254559 /nfs/dbraw/zinc/25/45/59/1392254559.db2.gz TYMNJDXSZRJXRZ-BBWFWOEESA-N 1 3 325.541 3.027 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCCC1)CC2 ZINC001479504102 1392259112 /nfs/dbraw/zinc/25/91/12/1392259112.db2.gz RKRWHBMEIFBZNX-SFHVURJKSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H](C)CC(C)C)N(C)C ZINC001479738035 1392350483 /nfs/dbraw/zinc/35/04/83/1392350483.db2.gz SXTAMZUMEWILRK-QYZOEREBSA-N 1 3 339.568 3.322 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@H](C)CC(C)C)N(C)C ZINC001479738035 1392350491 /nfs/dbraw/zinc/35/04/91/1392350491.db2.gz SXTAMZUMEWILRK-QYZOEREBSA-N 1 3 339.568 3.322 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479831485 1392418126 /nfs/dbraw/zinc/41/81/26/1392418126.db2.gz NEVDDAAEKPTNIH-QZTJIDSGSA-N 1 3 325.541 3.122 10 0 EGAEHO CN(C)C1(C(=O)NCCC[N@H+](CC2CCCCC2)C2CC2)CCC1 ZINC001479871577 1392448177 /nfs/dbraw/zinc/44/81/77/1392448177.db2.gz NQQGLDHDSAVSIP-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CN(C)C1(C(=O)NCCC[N@@H+](CC2CCCCC2)C2CC2)CCC1 ZINC001479871577 1392448178 /nfs/dbraw/zinc/44/81/78/1392448178.db2.gz NQQGLDHDSAVSIP-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328229 1392687368 /nfs/dbraw/zinc/68/73/68/1392687368.db2.gz PGWFSBRMJOGJBR-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328229 1392687374 /nfs/dbraw/zinc/68/73/74/1392687374.db2.gz PGWFSBRMJOGJBR-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001480710506 1392872848 /nfs/dbraw/zinc/87/28/48/1392872848.db2.gz RALNPMQMLZVJQS-MOPGFXCFSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)N1CCCCC1 ZINC001481039274 1393103455 /nfs/dbraw/zinc/10/34/55/1393103455.db2.gz LBRWQDIUSNGXOQ-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1)N1CCCCC1 ZINC001481039274 1393103456 /nfs/dbraw/zinc/10/34/56/1393103456.db2.gz LBRWQDIUSNGXOQ-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C(C)(C)C)cc1 ZINC001481056560 1393108417 /nfs/dbraw/zinc/10/84/17/1393108417.db2.gz RGWIROISLRMLQJ-IBGZPJMESA-N 1 3 345.531 3.016 10 0 EGAEHO C[C@H]([NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001481278807 1393157212 /nfs/dbraw/zinc/15/72/12/1393157212.db2.gz ABKWNIXJJGSQFT-OXJNMPFZSA-N 1 3 349.494 3.008 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698928854 1406665338 /nfs/dbraw/zinc/66/53/38/1406665338.db2.gz MXDMWPSWWQSJHH-JNVNVXKGSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938770 1406679081 /nfs/dbraw/zinc/67/90/81/1406679081.db2.gz NWZIDNXJZMUBHK-ICSRJNTNSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC=C(C)C)c2ccccc2)CC[N@@H+]1C ZINC001481367311 1394207280 /nfs/dbraw/zinc/20/72/80/1394207280.db2.gz PXCPIXLKWDLAFV-SLFFLAALSA-N 1 3 343.515 3.130 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC=C(C)C)c2ccccc2)CC[N@H+]1C ZINC001481367311 1394207281 /nfs/dbraw/zinc/20/72/81/1394207281.db2.gz PXCPIXLKWDLAFV-SLFFLAALSA-N 1 3 343.515 3.130 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1cccc(Cl)c1 ZINC001491025650 1394399502 /nfs/dbraw/zinc/39/95/02/1394399502.db2.gz KSGHYWYISWYERA-RRQGHBQHSA-N 1 3 349.906 3.122 10 0 EGAEHO CC[C@H]([NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1)c1ccccc1 ZINC001491370702 1394513850 /nfs/dbraw/zinc/51/38/50/1394513850.db2.gz XFJFCQPJSPAWDL-MHJFOBGBSA-N 1 3 345.531 3.495 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001491681281 1394525424 /nfs/dbraw/zinc/52/54/24/1394525424.db2.gz CVJKBFFWMDQPLN-DLBZAZTESA-N 1 3 341.499 3.335 10 0 EGAEHO C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001482369502 1394932073 /nfs/dbraw/zinc/93/20/73/1394932073.db2.gz YJELMWSYPCJPKG-INIZCTEOSA-N 1 3 333.520 3.235 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC(C)CC3)C2)C1 ZINC001483847576 1395114197 /nfs/dbraw/zinc/11/41/97/1395114197.db2.gz NAVINEHLZXGQQT-GRERDSQWSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC(C)CC3)C2)C1 ZINC001483847576 1395114199 /nfs/dbraw/zinc/11/41/99/1395114199.db2.gz NAVINEHLZXGQQT-GRERDSQWSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218220 1395713667 /nfs/dbraw/zinc/71/36/67/1395713667.db2.gz VVSWNIUICBWTPZ-IRXDYDNUSA-N 1 3 347.547 3.309 10 0 EGAEHO CN(CC(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1)CC(C)(C)C ZINC001485763405 1396139406 /nfs/dbraw/zinc/13/94/06/1396139406.db2.gz NVFDFJGCGIDLGS-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1)CC(C)(C)C ZINC001485763405 1396139431 /nfs/dbraw/zinc/13/94/31/1396139431.db2.gz NVFDFJGCGIDLGS-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930738 1396170317 /nfs/dbraw/zinc/17/03/17/1396170317.db2.gz XQQSKQAIUYWFKK-FUHWJXTLSA-N 1 3 337.552 3.122 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001485961062 1396174147 /nfs/dbraw/zinc/17/41/47/1396174147.db2.gz QAAMXKHCJGXBJO-HKUYNNGSSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN(C)CC(C)(C)C ZINC001486123721 1396178785 /nfs/dbraw/zinc/17/87/85/1396178785.db2.gz GXJORWLZQXRPEM-SJORKVTESA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC/C=C\c1ccccc1 ZINC001499955685 1396185159 /nfs/dbraw/zinc/18/51/59/1396185159.db2.gz WMQYTWGIXRZNJR-SUJSUNJESA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001492178931 1396313274 /nfs/dbraw/zinc/31/32/74/1396313274.db2.gz SJUIGRPLUNRIPH-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001492178931 1396313275 /nfs/dbraw/zinc/31/32/75/1396313275.db2.gz SJUIGRPLUNRIPH-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001689352437 1403681943 /nfs/dbraw/zinc/68/19/43/1403681943.db2.gz DKLNNCUIVABQGR-ROUUACIJSA-N 1 3 325.541 3.076 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001689352437 1403681945 /nfs/dbraw/zinc/68/19/45/1403681945.db2.gz DKLNNCUIVABQGR-ROUUACIJSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001690051792 1404285482 /nfs/dbraw/zinc/28/54/82/1404285482.db2.gz TYJPOOOOKUMIAC-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001690051792 1404285485 /nfs/dbraw/zinc/28/54/85/1404285485.db2.gz TYJPOOOOKUMIAC-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502577 1404616088 /nfs/dbraw/zinc/61/60/88/1404616088.db2.gz ZWZBUOFBRSNBAE-KAGICYHLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502577 1404616091 /nfs/dbraw/zinc/61/60/91/1404616091.db2.gz ZWZBUOFBRSNBAE-KAGICYHLSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)N1CCCCCC1 ZINC001691172909 1405109205 /nfs/dbraw/zinc/10/92/05/1405109205.db2.gz VWHWAVAHPQWFTG-MISYRCLQSA-N 1 3 347.547 3.236 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691265238 1405184301 /nfs/dbraw/zinc/18/43/01/1405184301.db2.gz UCTOQAQCDOKJCC-ZWKOTPCHSA-N 1 3 346.519 3.106 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001691263030 1405184534 /nfs/dbraw/zinc/18/45/34/1405184534.db2.gz AURQHUPNFIOYGJ-RBUKOAKNSA-N 1 3 349.563 3.173 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001691429084 1405263040 /nfs/dbraw/zinc/26/30/40/1405263040.db2.gz UTYFDMKUKQFKQJ-YFNPGVAHSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001691429084 1405263043 /nfs/dbraw/zinc/26/30/43/1405263043.db2.gz UTYFDMKUKQFKQJ-YFNPGVAHSA-N 1 3 349.563 3.290 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001691636357 1405371896 /nfs/dbraw/zinc/37/18/96/1405371896.db2.gz FEVGFPHINGNVDS-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001691796762 1405508160 /nfs/dbraw/zinc/50/81/60/1405508160.db2.gz NMBGNRSTZMTOLO-IEBWSBKVSA-N 1 3 331.504 3.108 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823867 1405539976 /nfs/dbraw/zinc/53/99/76/1405539976.db2.gz ZDUAJMGDLVSECU-GOSISDBHSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823867 1405539980 /nfs/dbraw/zinc/53/99/80/1405539980.db2.gz ZDUAJMGDLVSECU-GOSISDBHSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001692330035 1405948540 /nfs/dbraw/zinc/94/85/40/1405948540.db2.gz SRNOGFNUFTXLTE-MNVMYWNISA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C)[NH+](CC)CC ZINC001692376170 1405982115 /nfs/dbraw/zinc/98/21/15/1405982115.db2.gz GLXZZKSUJVMRJO-OKZBNKHCSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001732516478 1428636019 /nfs/dbraw/zinc/63/60/19/1428636019.db2.gz YRKVNPGBFPQPHZ-SFHVURJKSA-N 1 3 337.552 3.291 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001732520416 1428638837 /nfs/dbraw/zinc/63/88/37/1428638837.db2.gz YSKSWURHEBEWPR-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141360 1412531738 /nfs/dbraw/zinc/53/17/38/1412531738.db2.gz UVAADUDZUYPNQI-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001699692710 1413098454 /nfs/dbraw/zinc/09/84/54/1413098454.db2.gz NFEUJOHPSOBJNN-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001699692710 1413098456 /nfs/dbraw/zinc/09/84/56/1413098456.db2.gz NFEUJOHPSOBJNN-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC001699800105 1413211021 /nfs/dbraw/zinc/21/10/21/1413211021.db2.gz QPZIGLKRIOWMME-XLIONFOSSA-N 1 3 345.531 3.352 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001699867272 1413307424 /nfs/dbraw/zinc/30/74/24/1413307424.db2.gz WBPAQYMPWPISNQ-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077661 1413491688 /nfs/dbraw/zinc/49/16/88/1413491688.db2.gz JVHSPCSYBCGTTG-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001700216823 1413660274 /nfs/dbraw/zinc/66/02/74/1413660274.db2.gz IOFFRNWHDTZXLL-LKGOPFMKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700372984 1413900879 /nfs/dbraw/zinc/90/08/79/1413900879.db2.gz BQHNFRLBHPUKEF-AATRIKPKSA-N 1 3 335.536 3.092 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001700620442 1414289549 /nfs/dbraw/zinc/28/95/49/1414289549.db2.gz WJGWXJDXLAUVJV-BQYQJAHWSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001700620442 1414289552 /nfs/dbraw/zinc/28/95/52/1414289552.db2.gz WJGWXJDXLAUVJV-BQYQJAHWSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001700621345 1414291605 /nfs/dbraw/zinc/29/16/05/1414291605.db2.gz RREDVWLOYJNPLE-ZMBJWTFHSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001700621345 1414291607 /nfs/dbraw/zinc/29/16/07/1414291607.db2.gz RREDVWLOYJNPLE-ZMBJWTFHSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001700643181 1414308876 /nfs/dbraw/zinc/30/88/76/1414308876.db2.gz FHOMPXCVWJLUTJ-FHWLQOOXSA-N 1 3 349.563 3.027 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1 ZINC001700678909 1414334068 /nfs/dbraw/zinc/33/40/68/1414334068.db2.gz MCHCRCZRSNJGCN-AZUAARDMSA-N 1 3 345.531 3.324 10 0 EGAEHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905741 1414560905 /nfs/dbraw/zinc/56/09/05/1414560905.db2.gz VGHQUOZGTYQUNS-ZWKOTPCHSA-N 1 3 337.552 3.029 10 0 EGAEHO CCCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001707235018 1417256110 /nfs/dbraw/zinc/25/61/10/1417256110.db2.gz PPZMYZNEZWZOOG-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001712990935 1417542551 /nfs/dbraw/zinc/54/25/51/1417542551.db2.gz KCAULSNWDXLGPU-HKUYNNGSSA-N 1 3 331.504 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001712990935 1417542552 /nfs/dbraw/zinc/54/25/52/1417542552.db2.gz KCAULSNWDXLGPU-HKUYNNGSSA-N 1 3 331.504 3.060 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](C(C)C)CC[C@H]21 ZINC001713182510 1417756807 /nfs/dbraw/zinc/75/68/07/1417756807.db2.gz OGGMSIPEKKBRDR-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](C(C)C)CC[C@H]21 ZINC001713182510 1417756819 /nfs/dbraw/zinc/75/68/19/1417756819.db2.gz OGGMSIPEKKBRDR-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001713253951 1417849275 /nfs/dbraw/zinc/84/92/75/1417849275.db2.gz WNFGTANWUHEUDX-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001713253951 1417849279 /nfs/dbraw/zinc/84/92/79/1417849279.db2.gz WNFGTANWUHEUDX-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001713400174 1418021752 /nfs/dbraw/zinc/02/17/52/1418021752.db2.gz BPIASALVIYZKGJ-QGZVFWFLSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001713400174 1418021756 /nfs/dbraw/zinc/02/17/56/1418021756.db2.gz BPIASALVIYZKGJ-QGZVFWFLSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697612 1418452984 /nfs/dbraw/zinc/45/29/84/1418452984.db2.gz ICPIDUUTQPDOEM-YLJYHZDGSA-N 1 3 345.531 3.307 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)N1CCCCCC1 ZINC001713705048 1418464897 /nfs/dbraw/zinc/46/48/97/1418464897.db2.gz QJSPMXYHIYEOAO-PXNSSMCTSA-N 1 3 343.515 3.108 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001733144410 1429261473 /nfs/dbraw/zinc/26/14/73/1429261473.db2.gz FEEFPRQHBPOCDG-PKOBYXMFSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794421 1418613615 /nfs/dbraw/zinc/61/36/15/1418613615.db2.gz SLJMFKKYDFLPCV-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794421 1418613618 /nfs/dbraw/zinc/61/36/18/1418613618.db2.gz SLJMFKKYDFLPCV-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897379 1418695781 /nfs/dbraw/zinc/69/57/81/1418695781.db2.gz RWXWXWCIWMIDDT-XJDXJNMNSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897379 1418695782 /nfs/dbraw/zinc/69/57/82/1418695782.db2.gz RWXWXWCIWMIDDT-XJDXJNMNSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001714034240 1418823357 /nfs/dbraw/zinc/82/33/57/1418823357.db2.gz OKOSZRONAIJGJR-HEVSSNLLSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001714034240 1418823358 /nfs/dbraw/zinc/82/33/58/1418823358.db2.gz OKOSZRONAIJGJR-HEVSSNLLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001714200172 1419004627 /nfs/dbraw/zinc/00/46/27/1419004627.db2.gz OGJALTHEPCFBNC-VNCLNFNDSA-N 1 3 349.494 3.244 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001714322108 1419100633 /nfs/dbraw/zinc/10/06/33/1419100633.db2.gz OADVBJPAORADQC-HXUWFJFHSA-N 1 3 345.531 3.455 10 0 EGAEHO CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001714418029 1419155069 /nfs/dbraw/zinc/15/50/69/1419155069.db2.gz UHERHLGXCXGFHQ-MOPGFXCFSA-N 1 3 331.504 3.179 10 0 EGAEHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001714500366 1419226115 /nfs/dbraw/zinc/22/61/15/1419226115.db2.gz MPURAIDAWONCPT-MRXNPFEDSA-N 1 3 345.531 3.282 10 0 EGAEHO CC[C@@H](F)C[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001714513508 1419240938 /nfs/dbraw/zinc/24/09/38/1419240938.db2.gz HRVUKUBHDSFKII-GOSISDBHSA-N 1 3 349.494 3.129 10 0 EGAEHO CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001714811401 1419522340 /nfs/dbraw/zinc/52/23/40/1419522340.db2.gz BPYMDDSHTOFSKO-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001715048594 1419789494 /nfs/dbraw/zinc/78/94/94/1419789494.db2.gz VKTIAHUAZSLLIS-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CCCCC1)N(C)C ZINC001715399902 1420097929 /nfs/dbraw/zinc/09/79/29/1420097929.db2.gz KLHXHIXCLVORRV-VQTJNVASSA-N 1 3 345.531 3.182 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001715423941 1420115261 /nfs/dbraw/zinc/11/52/61/1420115261.db2.gz FQTSVAYZGQKPCQ-MOPGFXCFSA-N 1 3 347.547 3.022 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001715468842 1420147634 /nfs/dbraw/zinc/14/76/34/1420147634.db2.gz DGABYDBUWUJBEU-IBGZPJMESA-N 1 3 349.563 3.077 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001715468842 1420147635 /nfs/dbraw/zinc/14/76/35/1420147635.db2.gz DGABYDBUWUJBEU-IBGZPJMESA-N 1 3 349.563 3.077 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001715992542 1420447427 /nfs/dbraw/zinc/44/74/27/1420447427.db2.gz JOVPVQRAHXWAEY-YQVWRLOYSA-N 1 3 333.520 3.045 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001715998701 1420452668 /nfs/dbraw/zinc/45/26/68/1420452668.db2.gz RNLCOHSDZUFSRT-IRXDYDNUSA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042573 1420505489 /nfs/dbraw/zinc/50/54/89/1420505489.db2.gz QQGKHWQSGRWLQP-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001716042573 1420505492 /nfs/dbraw/zinc/50/54/92/1420505492.db2.gz QQGKHWQSGRWLQP-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001716049510 1420513603 /nfs/dbraw/zinc/51/36/03/1420513603.db2.gz BSRHLSKXCZWUTI-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001716049510 1420513606 /nfs/dbraw/zinc/51/36/06/1420513606.db2.gz BSRHLSKXCZWUTI-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001716051763 1420515912 /nfs/dbraw/zinc/51/59/12/1420515912.db2.gz RGHNHDFGAVNMRP-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001716051763 1420515914 /nfs/dbraw/zinc/51/59/14/1420515914.db2.gz RGHNHDFGAVNMRP-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN(CC[NH2+]Cc1cccc2ccccc21)C(=O)CN(C)C(C)C ZINC001716255894 1420585254 /nfs/dbraw/zinc/58/52/54/1420585254.db2.gz HVKUHOCXORBLFB-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716496055 1420719807 /nfs/dbraw/zinc/71/98/07/1420719807.db2.gz NULCJBRBVSBBJD-BEFAXECRSA-N 1 3 343.531 3.072 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716496055 1420719810 /nfs/dbraw/zinc/71/98/10/1420719810.db2.gz NULCJBRBVSBBJD-BEFAXECRSA-N 1 3 343.531 3.072 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCC1 ZINC001716507699 1420739258 /nfs/dbraw/zinc/73/92/58/1420739258.db2.gz GDIIKFGDURBXEF-HKUYNNGSSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCCC1 ZINC001716507699 1420739259 /nfs/dbraw/zinc/73/92/59/1420739259.db2.gz GDIIKFGDURBXEF-HKUYNNGSSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001716707688 1420861829 /nfs/dbraw/zinc/86/18/29/1420861829.db2.gz ZJCDHRMPGQFCQB-WELJNPPOSA-N 1 3 335.536 3.019 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829881 1420956258 /nfs/dbraw/zinc/95/62/58/1420956258.db2.gz FFGNCFDJXAUUCV-IZRJCCQOSA-N 1 3 349.563 3.389 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829881 1420956260 /nfs/dbraw/zinc/95/62/60/1420956260.db2.gz FFGNCFDJXAUUCV-IZRJCCQOSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001716830530 1420957423 /nfs/dbraw/zinc/95/74/23/1420957423.db2.gz RLWNSSVSNCBEFE-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001716830530 1420957426 /nfs/dbraw/zinc/95/74/26/1420957426.db2.gz RLWNSSVSNCBEFE-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001733287700 1429463403 /nfs/dbraw/zinc/46/34/03/1429463403.db2.gz FXGLXLHOEYUKNY-TZIWHRDSSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001733287700 1429463404 /nfs/dbraw/zinc/46/34/04/1429463404.db2.gz FXGLXLHOEYUKNY-TZIWHRDSSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717310215 1421253263 /nfs/dbraw/zinc/25/32/63/1421253263.db2.gz CSZUEOUVWZAIKU-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717310215 1421253264 /nfs/dbraw/zinc/25/32/64/1421253264.db2.gz CSZUEOUVWZAIKU-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001717339232 1421277448 /nfs/dbraw/zinc/27/74/48/1421277448.db2.gz QTDHULATMCARFY-UYAOXDASSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001717339232 1421277450 /nfs/dbraw/zinc/27/74/50/1421277450.db2.gz QTDHULATMCARFY-UYAOXDASSA-N 1 3 345.531 3.113 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C)N(C)C ZINC001717340833 1421278214 /nfs/dbraw/zinc/27/82/14/1421278214.db2.gz HDRJBUNOXDZOSK-YQVWRLOYSA-N 1 3 333.520 3.189 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1)N(C)C ZINC001717449814 1421379722 /nfs/dbraw/zinc/37/97/22/1421379722.db2.gz PHEVNDIRAGJASE-CTWPCTMYSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001733298539 1429481780 /nfs/dbraw/zinc/48/17/80/1429481780.db2.gz WWGKBRNIGVYQFV-WIYYLYMNSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001733298539 1429481785 /nfs/dbraw/zinc/48/17/85/1429481785.db2.gz WWGKBRNIGVYQFV-WIYYLYMNSA-N 1 3 343.515 3.012 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001717538948 1421477903 /nfs/dbraw/zinc/47/79/03/1421477903.db2.gz WBLDQJYMPVRTNV-XSAZBNQGSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001717538948 1421477905 /nfs/dbraw/zinc/47/79/05/1421477905.db2.gz WBLDQJYMPVRTNV-XSAZBNQGSA-N 1 3 337.552 3.290 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736140 1421600877 /nfs/dbraw/zinc/60/08/77/1421600877.db2.gz KUOXGHSHMVENGQ-PXNSSMCTSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001717756438 1421619753 /nfs/dbraw/zinc/61/97/53/1421619753.db2.gz FLWMEBZVDZMDBV-LSDHHAIUSA-N 1 3 339.911 3.178 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001717831060 1421643716 /nfs/dbraw/zinc/64/37/16/1421643716.db2.gz WRBXMMOHCDFITF-VQIMIIECSA-N 1 3 345.531 3.377 10 0 EGAEHO CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001717888146 1421688970 /nfs/dbraw/zinc/68/89/70/1421688970.db2.gz YVGFGAWPMCGZMG-VQIMIIECSA-N 1 3 331.504 3.036 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001717947931 1421714354 /nfs/dbraw/zinc/71/43/54/1421714354.db2.gz CBGFASNOQMJWSO-UYAOXDASSA-N 1 3 345.531 3.004 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001717947931 1421714356 /nfs/dbraw/zinc/71/43/56/1421714356.db2.gz CBGFASNOQMJWSO-UYAOXDASSA-N 1 3 345.531 3.004 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001717950471 1421719123 /nfs/dbraw/zinc/71/91/23/1421719123.db2.gz UTWAZBDHLOPNIU-OALUTQOASA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001717950471 1421719125 /nfs/dbraw/zinc/71/91/25/1421719125.db2.gz UTWAZBDHLOPNIU-OALUTQOASA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001717979118 1421750034 /nfs/dbraw/zinc/75/00/34/1421750034.db2.gz WLMYNLNFKULGER-GOSISDBHSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001733416269 1429620558 /nfs/dbraw/zinc/62/05/58/1429620558.db2.gz JBORYOIMKKTWSV-OAQYLSRUSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001733416269 1429620561 /nfs/dbraw/zinc/62/05/61/1429620561.db2.gz JBORYOIMKKTWSV-OAQYLSRUSA-N 1 3 345.531 3.379 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001733426506 1429633932 /nfs/dbraw/zinc/63/39/32/1429633932.db2.gz SZLNXULDCSMFQX-FXAWDEMLSA-N 1 3 337.552 3.125 10 0 EGAEHO CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001723205623 1424320837 /nfs/dbraw/zinc/32/08/37/1424320837.db2.gz ZJRIZCLAJIEQMN-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)N1CCCCCC1 ZINC001723570513 1424469287 /nfs/dbraw/zinc/46/92/87/1424469287.db2.gz KFOWPBWYHLRVOC-GOSISDBHSA-N 1 3 347.547 3.380 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC001723595170 1424481542 /nfs/dbraw/zinc/48/15/42/1424481542.db2.gz NDPKMFZYNBZJOR-UHFFFAOYSA-N 1 3 343.515 3.033 10 0 EGAEHO CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001724612480 1424955475 /nfs/dbraw/zinc/95/54/75/1424955475.db2.gz FGTVZXQVMZWFGI-OKYOBFRVSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001724612480 1424955481 /nfs/dbraw/zinc/95/54/81/1424955481.db2.gz FGTVZXQVMZWFGI-OKYOBFRVSA-N 1 3 349.563 3.266 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001724741226 1425105775 /nfs/dbraw/zinc/10/57/75/1425105775.db2.gz NUSYYRQGIDJZDH-CALCHBBNSA-N 1 3 331.504 3.017 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001724741226 1425105783 /nfs/dbraw/zinc/10/57/83/1425105783.db2.gz NUSYYRQGIDJZDH-CALCHBBNSA-N 1 3 331.504 3.017 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725007205 1425421510 /nfs/dbraw/zinc/42/15/10/1425421510.db2.gz OQHLWCABDUQZID-BOYOMHKPSA-N 1 3 341.515 3.040 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001725016859 1425435790 /nfs/dbraw/zinc/43/57/90/1425435790.db2.gz GAVFAJSHTZENLT-SREVYHEPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC(C)CC1 ZINC001725054670 1425489052 /nfs/dbraw/zinc/48/90/52/1425489052.db2.gz YMUNUQNWEXAUPI-CTWPCTMYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC(C)CC1 ZINC001725054670 1425489054 /nfs/dbraw/zinc/48/90/54/1425489054.db2.gz YMUNUQNWEXAUPI-CTWPCTMYSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)Cc1ccc(F)cc1 ZINC001725191412 1425736346 /nfs/dbraw/zinc/73/63/46/1425736346.db2.gz UYLFGJFFQVETOI-IRXDYDNUSA-N 1 3 349.494 3.027 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725452498 1426118060 /nfs/dbraw/zinc/11/80/60/1426118060.db2.gz GYVITCMESDRJSJ-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001725668042 1426351593 /nfs/dbraw/zinc/35/15/93/1426351593.db2.gz ZOOBOAWPSNNGFH-AZUAARDMSA-N 1 3 345.531 3.018 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C)c1 ZINC001725759836 1426440297 /nfs/dbraw/zinc/44/02/97/1426440297.db2.gz XUDZRUIPLZMLBH-LJQANCHMSA-N 1 3 347.547 3.210 10 0 EGAEHO CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001725769526 1426452780 /nfs/dbraw/zinc/45/27/80/1426452780.db2.gz WMJJNOMRSRLTRS-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCCCCC1 ZINC001731322290 1427262916 /nfs/dbraw/zinc/26/29/16/1427262916.db2.gz LUGDKSOLIBRAOR-UHFFFAOYSA-N 1 3 334.508 3.059 10 0 EGAEHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCCCCC1 ZINC001731322290 1427262918 /nfs/dbraw/zinc/26/29/18/1427262918.db2.gz LUGDKSOLIBRAOR-UHFFFAOYSA-N 1 3 334.508 3.059 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001731453550 1427429326 /nfs/dbraw/zinc/42/93/26/1427429326.db2.gz OITNFMIODKTRCT-IYARVYRRSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001731530889 1427521697 /nfs/dbraw/zinc/52/16/97/1427521697.db2.gz NBBDSIHKOUVLDA-LJQANCHMSA-N 1 3 345.531 3.236 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555029 1427579977 /nfs/dbraw/zinc/57/99/77/1427579977.db2.gz QFCZAXGENDZBLT-HKUYNNGSSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001731555029 1427579982 /nfs/dbraw/zinc/57/99/82/1427579982.db2.gz QFCZAXGENDZBLT-HKUYNNGSSA-N 1 3 347.547 3.188 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCC[N@H+](C)CCC2=CCCCC2)c1 ZINC001731795678 1427948867 /nfs/dbraw/zinc/94/88/67/1427948867.db2.gz IHOFQUFTIGUECC-UHFFFAOYSA-N 1 3 343.515 3.300 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](C)CCC2=CCCCC2)c1 ZINC001731795678 1427948876 /nfs/dbraw/zinc/94/88/76/1427948876.db2.gz IHOFQUFTIGUECC-UHFFFAOYSA-N 1 3 343.515 3.300 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC001731796279 1427949943 /nfs/dbraw/zinc/94/99/43/1427949943.db2.gz YXEPRSPXSVPDPO-OALUTQOASA-N 1 3 345.531 3.033 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733851057 1437686755 /nfs/dbraw/zinc/68/67/55/1437686755.db2.gz DEEYHXLUNHAVTK-GBXWSJCFSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001733948603 1437761396 /nfs/dbraw/zinc/76/13/96/1437761396.db2.gz HCBATCAYAXVOES-SOAGJPPSSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733974233 1437774087 /nfs/dbraw/zinc/77/40/87/1437774087.db2.gz UDALGOAMZTXZEG-IRXDYDNUSA-N 1 3 325.541 3.170 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1C ZINC001733987231 1437783467 /nfs/dbraw/zinc/78/34/67/1437783467.db2.gz JNLKQWOYDVSMBG-MSOLQXFVSA-N 1 3 347.547 3.264 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC1CC1 ZINC001734023621 1437812227 /nfs/dbraw/zinc/81/22/27/1437812227.db2.gz FQUAVVIDJRJZPX-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734064472 1437859430 /nfs/dbraw/zinc/85/94/30/1437859430.db2.gz BZVFSSUNDARVHK-LSDHHAIUSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734064472 1437859431 /nfs/dbraw/zinc/85/94/31/1437859431.db2.gz BZVFSSUNDARVHK-LSDHHAIUSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080736 1437867909 /nfs/dbraw/zinc/86/79/09/1437867909.db2.gz MWAQCUIPXIIZEZ-QUCCMNQESA-N 1 3 349.563 3.291 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C1 ZINC001734195523 1437936360 /nfs/dbraw/zinc/93/63/60/1437936360.db2.gz XXRGXZANDQRENB-VAMGGRTRSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C1 ZINC001734195523 1437936362 /nfs/dbraw/zinc/93/63/62/1437936362.db2.gz XXRGXZANDQRENB-VAMGGRTRSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487887 1438129593 /nfs/dbraw/zinc/12/95/93/1438129593.db2.gz OQLALJKZZMSKQX-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCCN1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000225808148 242046957 /nfs/dbraw/zinc/04/69/57/242046957.db2.gz XEDNBZSHQADMMQ-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCN1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000225808148 242046964 /nfs/dbraw/zinc/04/69/64/242046964.db2.gz XEDNBZSHQADMMQ-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081363185 217388457 /nfs/dbraw/zinc/38/84/57/217388457.db2.gz RCSBIPHRRZIKTF-IBGZPJMESA-N 1 3 343.515 3.086 10 0 EGAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081363185 217388460 /nfs/dbraw/zinc/38/84/60/217388460.db2.gz RCSBIPHRRZIKTF-IBGZPJMESA-N 1 3 343.515 3.086 10 0 EGAEHO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(OCCN(C)C)cc1 ZINC000154918220 533405940 /nfs/dbraw/zinc/40/59/40/533405940.db2.gz XROOSSJTJBLGML-MRXNPFEDSA-N 1 3 328.456 3.226 10 0 EGAEHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000246832230 141037948 /nfs/dbraw/zinc/03/79/48/141037948.db2.gz ALSAMGSZCPNMGE-UXHICEINSA-N 1 3 333.495 3.079 10 0 EGAEHO CCN1CCN([C@H](C)CNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000185273629 144109358 /nfs/dbraw/zinc/10/93/58/144109358.db2.gz PFOIFMBQOFEVOU-QGZVFWFLSA-N 1 3 326.488 3.290 10 0 EGAEHO c1ccc(-c2noc(CCN3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000364258467 144393755 /nfs/dbraw/zinc/39/37/55/144393755.db2.gz PRYLVLKQBJLEQD-UHFFFAOYSA-N 1 3 340.471 3.087 10 0 EGAEHO CN(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248571011 163016041 /nfs/dbraw/zinc/01/60/41/163016041.db2.gz QZBYKXULYXHNBJ-RXVVDRJESA-N 1 3 345.506 3.206 10 0 EGAEHO CN(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248571011 163016045 /nfs/dbraw/zinc/01/60/45/163016045.db2.gz QZBYKXULYXHNBJ-RXVVDRJESA-N 1 3 345.506 3.206 10 0 EGAEHO C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338533885 163263263 /nfs/dbraw/zinc/26/32/63/163263263.db2.gz BLNFNEJBNDEHCT-ROUUACIJSA-N 1 3 343.515 3.275 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CN1Cc1ccccc1 ZINC000354794394 166033831 /nfs/dbraw/zinc/03/38/31/166033831.db2.gz KLOJAUSFJSRIHW-YZGWKJHDSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CN1Cc1ccccc1 ZINC000354794394 166033836 /nfs/dbraw/zinc/03/38/36/166033836.db2.gz KLOJAUSFJSRIHW-YZGWKJHDSA-N 1 3 343.515 3.030 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367618213 168250520 /nfs/dbraw/zinc/25/05/20/168250520.db2.gz SERRPVOVJPRXRT-ZCNNSNEGSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367618213 168250521 /nfs/dbraw/zinc/25/05/21/168250521.db2.gz SERRPVOVJPRXRT-ZCNNSNEGSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367618213 168250523 /nfs/dbraw/zinc/25/05/23/168250523.db2.gz SERRPVOVJPRXRT-ZCNNSNEGSA-N 1 3 332.488 3.064 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@H]21 ZINC000367624090 168251500 /nfs/dbraw/zinc/25/15/00/168251500.db2.gz WCJZKDWJFZBOIV-SLFFLAALSA-N 1 3 342.462 3.016 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@H]21 ZINC000367624090 168251502 /nfs/dbraw/zinc/25/15/02/168251502.db2.gz WCJZKDWJFZBOIV-SLFFLAALSA-N 1 3 342.462 3.016 10 0 EGAEHO CC[C@@H]1CCC[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714564 280285656 /nfs/dbraw/zinc/28/56/56/280285656.db2.gz ICHPNJHQCZPVFR-APISQKPESA-N 1 3 333.564 3.446 10 0 EGAEHO CC[C@@H]1CCC[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000377714564 280285657 /nfs/dbraw/zinc/28/56/57/280285657.db2.gz ICHPNJHQCZPVFR-APISQKPESA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@@H](NCc1ccc2cncn2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000414188996 309065701 /nfs/dbraw/zinc/06/57/01/309065701.db2.gz QVIXNCAKFTVPKL-MRXNPFEDSA-N 1 3 338.455 3.126 10 0 EGAEHO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414305070 309071865 /nfs/dbraw/zinc/07/18/65/309071865.db2.gz NAIDRWITZCIOBD-WOJBJXKFSA-N 1 3 330.516 3.428 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293753531 308158587 /nfs/dbraw/zinc/15/85/87/308158587.db2.gz OISYNUGYDXDHGC-HOTGVXAUSA-N 1 3 331.460 3.026 10 0 EGAEHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397554948 308904410 /nfs/dbraw/zinc/90/44/10/308904410.db2.gz KVVSYUPLVDGHIU-MJGOQNOKSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952152 309111120 /nfs/dbraw/zinc/11/11/20/309111120.db2.gz QNZLDPZFTZFASL-UHIISALHSA-N 1 3 329.257 3.249 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414952152 309111121 /nfs/dbraw/zinc/11/11/21/309111121.db2.gz QNZLDPZFTZFASL-UHIISALHSA-N 1 3 329.257 3.249 10 0 EGAEHO Fc1ccc(OCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000415078661 309118760 /nfs/dbraw/zinc/11/87/60/309118760.db2.gz GRJBRSOUSROMHF-WMZOPIPTSA-N 1 3 332.394 3.427 10 0 EGAEHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000415894923 309146624 /nfs/dbraw/zinc/14/66/24/309146624.db2.gz AGZSVCHKWJPNDC-LJQANCHMSA-N 1 3 340.471 3.139 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000422776878 309367682 /nfs/dbraw/zinc/36/76/82/309367682.db2.gz FBVLOZMJCBMUDO-MHTWAQMVSA-N 1 3 329.532 3.498 10 0 EGAEHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422779112 309367950 /nfs/dbraw/zinc/36/79/50/309367950.db2.gz BKLDOSGUDHOUPT-XWPNQZOQSA-N 1 3 332.488 3.363 10 0 EGAEHO COc1ccc([C@H](NC[C@@H](CC(C)C)N(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422819977 309370124 /nfs/dbraw/zinc/37/01/24/309370124.db2.gz OQXJFPXRRWYDGX-HOJAQTOUSA-N 1 3 333.520 3.054 10 0 EGAEHO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cnccc1N)Cc1ccccc1 ZINC000422835678 309371167 /nfs/dbraw/zinc/37/11/67/309371167.db2.gz PYTIKSRGBVNNCB-SJLPKXTDSA-N 1 3 326.488 3.098 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843019 309371501 /nfs/dbraw/zinc/37/15/01/309371501.db2.gz GSCYNTDSHRAILO-MRXNPFEDSA-N 1 3 339.483 3.248 10 0 EGAEHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(OCCN(C)C)cc1 ZINC000422893889 309374601 /nfs/dbraw/zinc/37/46/01/309374601.db2.gz BEZWHGYCCNJAQZ-PKOBYXMFSA-N 1 3 333.520 3.027 10 0 EGAEHO c1ccc(C2(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104605 309386146 /nfs/dbraw/zinc/38/61/46/309386146.db2.gz HMNCWBTWCRKKHS-AVRDEDQJSA-N 1 3 349.478 3.349 10 0 EGAEHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cccc(C(F)(F)F)n1 ZINC000423127367 309387227 /nfs/dbraw/zinc/38/72/27/309387227.db2.gz BYOQJFJMRXPQOY-CJNGLKHVSA-N 1 3 337.389 3.191 10 0 EGAEHO COc1ccccc1NC(=O)C[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423293664 309394355 /nfs/dbraw/zinc/39/43/55/309394355.db2.gz RWACETWYXGXVIA-HUUCEWRRSA-N 1 3 341.455 3.222 10 0 EGAEHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487243 309402525 /nfs/dbraw/zinc/40/25/25/309402525.db2.gz TZBREYNNDFUFEU-ZIAGYGMSSA-N 1 3 333.867 3.104 10 0 EGAEHO C[C@H](COc1ccc2cc(Br)ccc2c1)NCCC[NH3+] ZINC000437765986 309798991 /nfs/dbraw/zinc/79/89/91/309798991.db2.gz UHWUZNJHQHTTCH-GFCCVEGCSA-N 1 3 337.261 3.308 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000449071987 310034728 /nfs/dbraw/zinc/03/47/28/310034728.db2.gz CZRVZQDRAIUNCR-AZUAARDMSA-N 1 3 341.543 3.156 10 0 EGAEHO Cc1nccn1CCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449093378 310036515 /nfs/dbraw/zinc/03/65/15/310036515.db2.gz WDAPSNBKUHGHHP-GOSISDBHSA-N 1 3 340.515 3.267 10 0 EGAEHO CCN1CCC[C@H](C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449108865 310037727 /nfs/dbraw/zinc/03/77/27/310037727.db2.gz WJQMVXXNTFGYBD-TZIWHRDSSA-N 1 3 343.559 3.404 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449132237 310039242 /nfs/dbraw/zinc/03/92/42/310039242.db2.gz SXEWFHOKYLNEED-UHFFFAOYSA-N 1 3 342.487 3.093 10 0 EGAEHO C[C@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N(C)C1CC1 ZINC000449133108 310039366 /nfs/dbraw/zinc/03/93/66/310039366.db2.gz CMJKLTFRACNMRZ-ZWKOTPCHSA-N 1 3 329.532 3.154 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H](CO)C2CCOCC2)CC1 ZINC000449230686 310046446 /nfs/dbraw/zinc/04/64/46/310046446.db2.gz BAGSZURWTLSGGD-SFHVURJKSA-N 1 3 340.552 3.043 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000449230686 310046447 /nfs/dbraw/zinc/04/64/47/310046447.db2.gz BAGSZURWTLSGGD-SFHVURJKSA-N 1 3 340.552 3.043 10 0 EGAEHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449734802 310083162 /nfs/dbraw/zinc/08/31/62/310083162.db2.gz DTRXHLMVQDLFRY-ALGQRKQJSA-N 1 3 328.500 3.038 10 0 EGAEHO COc1cccc(C[C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459406845 310550428 /nfs/dbraw/zinc/55/04/28/310550428.db2.gz HAPYAOWOSFDCJH-INIZCTEOSA-N 1 3 325.456 3.280 10 0 EGAEHO CC[C@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684015 312215273 /nfs/dbraw/zinc/21/52/73/312215273.db2.gz OCTFYCHMMPCMQN-TZIWHRDSSA-N 1 3 329.532 3.282 10 0 EGAEHO CC[C@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000513684015 312215274 /nfs/dbraw/zinc/21/52/74/312215274.db2.gz OCTFYCHMMPCMQN-TZIWHRDSSA-N 1 3 329.532 3.282 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCN4CCCC[C@@H]34)CC23CC3)cc1 ZINC000514602619 312233920 /nfs/dbraw/zinc/23/39/20/312233920.db2.gz IANQUPNKARATHT-ACRUOGEOSA-N 1 3 339.527 3.400 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064486 314022692 /nfs/dbraw/zinc/02/26/92/314022692.db2.gz VINNNWPTFJGDJN-KGLIPLIRSA-N 1 3 327.875 3.156 10 0 EGAEHO C[NH+](C)CCCCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000552370157 315216650 /nfs/dbraw/zinc/21/66/50/315216650.db2.gz UUHABDCZBOFGQG-UHFFFAOYSA-N 1 3 331.504 3.021 10 0 EGAEHO COc1ccccc1-c1nc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000564578198 316170334 /nfs/dbraw/zinc/17/03/34/316170334.db2.gz VPPMLZOUTIVWGX-GASCZTMLSA-N 1 3 343.496 3.250 10 0 EGAEHO c1ccc(CN2C[C@H](C[NH2+]C3CCCC3)C3(C2)CCOCC3)cc1 ZINC000565763612 316366651 /nfs/dbraw/zinc/36/66/51/316366651.db2.gz GTWKAQQFMPAVDC-IBGZPJMESA-N 1 3 328.500 3.447 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000225435007 456082325 /nfs/dbraw/zinc/08/23/25/456082325.db2.gz LLULCWNESNCMDO-MDZLAQPJSA-N 1 3 329.257 3.188 10 0 EGAEHO C[C@H](CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000580588976 325271450 /nfs/dbraw/zinc/27/14/50/325271450.db2.gz ZFUOEPFIVICZSD-WLRLJWMZSA-N 1 3 329.532 3.359 10 0 EGAEHO CCCN1CCC([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000183422924 455291611 /nfs/dbraw/zinc/29/16/11/455291611.db2.gz JMRBBOXEWQHBFI-PKOBYXMFSA-N 1 3 349.906 3.076 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccco2)CC1 ZINC000088669539 454116311 /nfs/dbraw/zinc/11/63/11/454116311.db2.gz OFEMDFHJHQIENF-UHFFFAOYSA-N 1 3 327.472 3.144 10 0 EGAEHO CCc1ccc(CNCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000177771600 454902138 /nfs/dbraw/zinc/90/21/38/454902138.db2.gz YVVCHQGDNLTXCL-OAQYLSRUSA-N 1 3 342.483 3.377 10 0 EGAEHO COCC[NH+]1CCC(N[C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154854357 454936249 /nfs/dbraw/zinc/93/62/49/454936249.db2.gz PULCDQSWLRBNFX-IBGZPJMESA-N 1 3 332.488 3.218 10 0 EGAEHO C[C@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929298 455050135 /nfs/dbraw/zinc/05/01/35/455050135.db2.gz CUSVKPCVTSSBKV-LPHOPBHVSA-N 1 3 328.456 3.376 10 0 EGAEHO C[C@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929298 455050137 /nfs/dbraw/zinc/05/01/37/455050137.db2.gz CUSVKPCVTSSBKV-LPHOPBHVSA-N 1 3 328.456 3.376 10 0 EGAEHO CCN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180103887 455133125 /nfs/dbraw/zinc/13/31/25/455133125.db2.gz ALJBVAXOOVHTPK-OTYNDTSQSA-N 1 3 327.516 3.256 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]CCN2CCCCC2)C3)cc1 ZINC000180173634 455144320 /nfs/dbraw/zinc/14/43/20/455144320.db2.gz YYMZDVMPTACOEP-SEJPIABJSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCCN2CCCCC2)C3)cc1 ZINC000180173634 455144322 /nfs/dbraw/zinc/14/43/22/455144322.db2.gz YYMZDVMPTACOEP-SEJPIABJSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NCCN2CCCCC2)C3)cc1 ZINC000180173634 455144323 /nfs/dbraw/zinc/14/43/23/455144323.db2.gz YYMZDVMPTACOEP-SEJPIABJSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCCCC1 ZINC000182253822 455472616 /nfs/dbraw/zinc/47/26/16/455472616.db2.gz FLOPTJSRROEPMZ-GOSISDBHSA-N 1 3 343.515 3.277 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000248119477 455682380 /nfs/dbraw/zinc/68/23/80/455682380.db2.gz NEGMABQUABPCEO-RXYDEIHYSA-N 1 3 335.561 3.449 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccsc1 ZINC000268989285 455755452 /nfs/dbraw/zinc/75/54/52/455755452.db2.gz GOKYCUSPAKTDIN-ATZDWAIDSA-N 1 3 330.497 3.282 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccsc1 ZINC000268989285 455755455 /nfs/dbraw/zinc/75/54/55/455755455.db2.gz GOKYCUSPAKTDIN-ATZDWAIDSA-N 1 3 330.497 3.282 10 0 EGAEHO CC[N@@H+]1CC[C@@H](CN[C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588100 455875691 /nfs/dbraw/zinc/87/56/91/455875691.db2.gz JCQKQQNZVPTQLI-RXVVDRJESA-N 1 3 339.483 3.305 10 0 EGAEHO CC[N@H+]1CC[C@@H](CN[C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588100 455875694 /nfs/dbraw/zinc/87/56/94/455875694.db2.gz JCQKQQNZVPTQLI-RXVVDRJESA-N 1 3 339.483 3.305 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588100 455875698 /nfs/dbraw/zinc/87/56/98/455875698.db2.gz JCQKQQNZVPTQLI-RXVVDRJESA-N 1 3 339.483 3.305 10 0 EGAEHO C[C@@H]1CC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000221763327 456043817 /nfs/dbraw/zinc/04/38/17/456043817.db2.gz UUYSRAQLRODBNB-UNWOCNEZSA-N 1 3 328.500 3.443 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000281104441 456135210 /nfs/dbraw/zinc/13/52/10/456135210.db2.gz RBJIRACSNKUOCS-NXHRZFHOSA-N 1 3 348.487 3.009 10 0 EGAEHO CCCc1cc(N2CCN([C@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000301804468 456219104 /nfs/dbraw/zinc/21/91/04/456219104.db2.gz UVTCPDHXMFCKKP-QGZVFWFLSA-N 1 3 327.472 3.080 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000352823507 456340656 /nfs/dbraw/zinc/34/06/56/456340656.db2.gz NPSWDTIJGVPFDC-ICSRJNTNSA-N 1 3 342.531 3.176 10 0 EGAEHO CC1CC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000340458838 456472727 /nfs/dbraw/zinc/47/27/27/456472727.db2.gz AXLPCCIRRAROEH-SYYJFZTOSA-N 1 3 328.500 3.303 10 0 EGAEHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000657898735 462310690 /nfs/dbraw/zinc/31/06/90/462310690.db2.gz REDRQQYYXACWNR-LJQANCHMSA-N 1 3 338.536 3.205 10 0 EGAEHO COC[C@@H](CC1CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657898735 462310697 /nfs/dbraw/zinc/31/06/97/462310697.db2.gz REDRQQYYXACWNR-LJQANCHMSA-N 1 3 338.536 3.205 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353408589 456681365 /nfs/dbraw/zinc/68/13/65/456681365.db2.gz ZORRHSRZAMTFNU-QKNQBKEWSA-N 1 3 338.499 3.452 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353408589 456681368 /nfs/dbraw/zinc/68/13/68/456681368.db2.gz ZORRHSRZAMTFNU-QKNQBKEWSA-N 1 3 338.499 3.452 10 0 EGAEHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348465112 456699662 /nfs/dbraw/zinc/69/96/62/456699662.db2.gz KEWJVKQSFBCNMU-SALMWKFDSA-N 1 3 343.515 3.075 10 0 EGAEHO CC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000341304094 456837600 /nfs/dbraw/zinc/83/76/00/456837600.db2.gz STRYMGAWJMRMGH-SFHVURJKSA-N 1 3 349.906 3.124 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C ZINC000354425574 457214493 /nfs/dbraw/zinc/21/44/93/457214493.db2.gz JTCYXLKBCGXYQR-PXNSSMCTSA-N 1 3 343.515 3.227 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C ZINC000354425574 457214499 /nfs/dbraw/zinc/21/44/99/457214499.db2.gz JTCYXLKBCGXYQR-PXNSSMCTSA-N 1 3 343.515 3.227 10 0 EGAEHO CC(C)C[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000347226094 457299046 /nfs/dbraw/zinc/29/90/46/457299046.db2.gz MDAZXNJQSTWSTN-PBHICJAKSA-N 1 3 339.911 3.083 10 0 EGAEHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397554951 457487902 /nfs/dbraw/zinc/48/79/02/457487902.db2.gz KVVSYUPLVDGHIU-PKOBYXMFSA-N 1 3 330.516 3.428 10 0 EGAEHO OC1(CNCc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000397624639 457490055 /nfs/dbraw/zinc/49/00/55/457490055.db2.gz KCVDAECDRGCPPX-UHFFFAOYSA-N 1 3 344.886 3.457 10 0 EGAEHO Cc1nccn1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000370810908 457722707 /nfs/dbraw/zinc/72/27/07/457722707.db2.gz RPMDJPYQMJHTCO-SEJPIABJSA-N 1 3 338.499 3.367 10 0 EGAEHO C[C@@H](CCC1CCCC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000358065850 457763125 /nfs/dbraw/zinc/76/31/25/457763125.db2.gz SUKUCONSORQSPB-KRWDZBQOSA-N 1 3 345.531 3.427 10 0 EGAEHO CN(CCc1ccccn1)[C@H]1CCC[N@H+](CCc2ccccn2)CC1 ZINC000411402350 457874724 /nfs/dbraw/zinc/87/47/24/457874724.db2.gz PSPOUOWOGDRGTM-NRFANRHFSA-N 1 3 338.499 3.048 10 0 EGAEHO CN(CCc1ccccn1)[C@H]1CCC[N@@H+](CCc2ccccn2)CC1 ZINC000411402350 457874733 /nfs/dbraw/zinc/87/47/33/457874733.db2.gz PSPOUOWOGDRGTM-NRFANRHFSA-N 1 3 338.499 3.048 10 0 EGAEHO C[N@H+]1CC=C(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427526220 457997249 /nfs/dbraw/zinc/99/72/49/457997249.db2.gz BXYGBNJUGUYHNN-OAHLLOKOSA-N 1 3 325.378 3.329 10 0 EGAEHO C[N@@H+]1CC=C(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427526220 457997255 /nfs/dbraw/zinc/99/72/55/457997255.db2.gz BXYGBNJUGUYHNN-OAHLLOKOSA-N 1 3 325.378 3.329 10 0 EGAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000428337091 458123363 /nfs/dbraw/zinc/12/33/63/458123363.db2.gz GOWGJZXNTLHRIF-UWJYYQICSA-N 1 3 345.531 3.324 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430680410 458479992 /nfs/dbraw/zinc/47/99/92/458479992.db2.gz SKUMMXNLLISDOO-YZGWKJHDSA-N 1 3 343.515 3.030 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430680410 458479998 /nfs/dbraw/zinc/47/99/98/458479998.db2.gz SKUMMXNLLISDOO-YZGWKJHDSA-N 1 3 343.515 3.030 10 0 EGAEHO CCCN1CCC([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373485087 458506254 /nfs/dbraw/zinc/50/62/54/458506254.db2.gz NCTLQBQYVGNJKJ-UHFFFAOYSA-N 1 3 347.469 3.256 10 0 EGAEHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562323 458589532 /nfs/dbraw/zinc/58/95/32/458589532.db2.gz BVEPJWDBZIRATI-UXHICEINSA-N 1 3 345.531 3.450 10 0 EGAEHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431562323 458589541 /nfs/dbraw/zinc/58/95/41/458589541.db2.gz BVEPJWDBZIRATI-UXHICEINSA-N 1 3 345.531 3.450 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000431570131 458591221 /nfs/dbraw/zinc/59/12/21/458591221.db2.gz LQQXSFIDHWHSDM-PMACEKPBSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000431570131 458591226 /nfs/dbraw/zinc/59/12/26/458591226.db2.gz LQQXSFIDHWHSDM-PMACEKPBSA-N 1 3 343.515 3.204 10 0 EGAEHO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000431835153 458632461 /nfs/dbraw/zinc/63/24/61/458632461.db2.gz XBQWUAUVWYKUCU-FAFZWHIHSA-N 1 3 335.536 3.020 10 0 EGAEHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441349426 458924813 /nfs/dbraw/zinc/92/48/13/458924813.db2.gz SUAFVXOVEJTQCG-SSZFMOIBSA-N 1 3 335.923 3.359 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000443069615 459084639 /nfs/dbraw/zinc/08/46/39/459084639.db2.gz NDNXIBWDRNLQDP-HXUWFJFHSA-N 1 3 331.548 3.432 10 0 EGAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000532514664 459104950 /nfs/dbraw/zinc/10/49/50/459104950.db2.gz MTLAZMIZKIKUSG-DNVCBOLYSA-N 1 3 335.923 3.092 10 0 EGAEHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1cccc(N2CCOCC2)c1 ZINC000567604044 459132400 /nfs/dbraw/zinc/13/24/00/459132400.db2.gz WIIIEUOTUPGLSK-QGZVFWFLSA-N 1 3 331.504 3.226 10 0 EGAEHO COC(=O)c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)c(C)o1 ZINC000533098983 459188006 /nfs/dbraw/zinc/18/80/06/459188006.db2.gz ASRSGNRQMOTUOT-UHFFFAOYSA-N 1 3 348.487 3.463 10 0 EGAEHO CC[C@@H]1CC[C@H](C)N(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000568662431 459326308 /nfs/dbraw/zinc/32/63/08/459326308.db2.gz AWYPXQFLWCGJKL-ZWKOTPCHSA-N 1 3 349.563 3.220 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C1 ZINC000560531370 459367517 /nfs/dbraw/zinc/36/75/17/459367517.db2.gz XRWYPMRYKCWAFS-OBJCFNGXSA-N 1 3 327.516 3.284 10 0 EGAEHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)N(C)C)cc1 ZINC000560531866 459368030 /nfs/dbraw/zinc/36/80/30/459368030.db2.gz FWQYRBIEWUCNLC-BQJUDKOJSA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N(C)C)cc1 ZINC000560531866 459368036 /nfs/dbraw/zinc/36/80/36/459368036.db2.gz FWQYRBIEWUCNLC-BQJUDKOJSA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N(C)C)cc1 ZINC000560531866 459368042 /nfs/dbraw/zinc/36/80/42/459368042.db2.gz FWQYRBIEWUCNLC-BQJUDKOJSA-N 1 3 329.532 3.314 10 0 EGAEHO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000560539363 459369516 /nfs/dbraw/zinc/36/95/16/459369516.db2.gz IKTRBRWSPJODBJ-ZCNNSNEGSA-N 1 3 346.515 3.373 10 0 EGAEHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCCNC1 ZINC000582653723 459402391 /nfs/dbraw/zinc/40/23/91/459402391.db2.gz GFDKDZUGHPQKRY-QWHCGFSZSA-N 1 3 343.393 3.154 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380940 459529217 /nfs/dbraw/zinc/52/92/17/459529217.db2.gz NTZIASFJKJQXDH-VQTJNVASSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@H]1C[NH+](CCOc2ccc(CCNCC3(F)CC3)cc2)C[C@@H]1C ZINC000527232809 459611860 /nfs/dbraw/zinc/61/18/60/459611860.db2.gz BYJQVHVXEOCOPA-IRXDYDNUSA-N 1 3 334.479 3.287 10 0 EGAEHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCC1 ZINC000527813811 459749280 /nfs/dbraw/zinc/74/92/80/459749280.db2.gz VNRKECVRQIFHLU-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)C(=O)N1CCCC1 ZINC000527813811 459749285 /nfs/dbraw/zinc/74/92/85/459749285.db2.gz VNRKECVRQIFHLU-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CCn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000621775031 460060004 /nfs/dbraw/zinc/06/00/04/460060004.db2.gz DBSYJIUFRWQURE-PZJWPPBQSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000621775031 460060010 /nfs/dbraw/zinc/06/00/10/460060010.db2.gz DBSYJIUFRWQURE-PZJWPPBQSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000621775031 460060019 /nfs/dbraw/zinc/06/00/19/460060019.db2.gz DBSYJIUFRWQURE-PZJWPPBQSA-N 1 3 340.515 3.118 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCOC2CCOCC2)CC1 ZINC000625224274 460078825 /nfs/dbraw/zinc/07/88/25/460078825.db2.gz SAIHMSUNTDGWDL-SFHVURJKSA-N 1 3 338.536 3.159 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCOC2CCOCC2)CC1 ZINC000625224274 460078846 /nfs/dbraw/zinc/07/88/46/460078846.db2.gz SAIHMSUNTDGWDL-SFHVURJKSA-N 1 3 338.536 3.159 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCC2 ZINC000599069214 460150520 /nfs/dbraw/zinc/15/05/20/460150520.db2.gz DCJLWHMTIIHNQO-KXBFYZLASA-N 1 3 330.472 3.172 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1(C)C ZINC000623344925 460501272 /nfs/dbraw/zinc/50/12/72/460501272.db2.gz IVZNHCKBRSOAIV-KRWDZBQOSA-N 1 3 341.455 3.494 10 0 EGAEHO CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623364608 460510881 /nfs/dbraw/zinc/51/08/81/460510881.db2.gz HNAWUOHHPBLZAA-KRWDZBQOSA-N 1 3 332.492 3.179 10 0 EGAEHO COc1cccc(N2CCC[C@@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423830 460540730 /nfs/dbraw/zinc/54/07/30/460540730.db2.gz TVZYSCXMNCVMKX-DLBZAZTESA-N 1 3 331.504 3.126 10 0 EGAEHO COc1cccc(N2CCC[C@@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623423830 460540737 /nfs/dbraw/zinc/54/07/37/460540737.db2.gz TVZYSCXMNCVMKX-DLBZAZTESA-N 1 3 331.504 3.126 10 0 EGAEHO COc1cccc(N2CCC[C@@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423831 460541109 /nfs/dbraw/zinc/54/11/09/460541109.db2.gz TVZYSCXMNCVMKX-IAGOWNOFSA-N 1 3 331.504 3.126 10 0 EGAEHO COc1cccc(N2CCC[C@@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623423831 460541115 /nfs/dbraw/zinc/54/11/15/460541115.db2.gz TVZYSCXMNCVMKX-IAGOWNOFSA-N 1 3 331.504 3.126 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423832 460541416 /nfs/dbraw/zinc/54/14/16/460541416.db2.gz TVZYSCXMNCVMKX-IRXDYDNUSA-N 1 3 331.504 3.126 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623423832 460541422 /nfs/dbraw/zinc/54/14/22/460541422.db2.gz TVZYSCXMNCVMKX-IRXDYDNUSA-N 1 3 331.504 3.126 10 0 EGAEHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623932044 460785171 /nfs/dbraw/zinc/78/51/71/460785171.db2.gz WWBZKPKLKWTXQU-HXUWFJFHSA-N 1 3 344.547 3.109 10 0 EGAEHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623932044 460785178 /nfs/dbraw/zinc/78/51/78/460785178.db2.gz WWBZKPKLKWTXQU-HXUWFJFHSA-N 1 3 344.547 3.109 10 0 EGAEHO CCCCOc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1OC ZINC000629521354 460794433 /nfs/dbraw/zinc/79/44/33/460794433.db2.gz NDQUVXYZEQPXJC-HNNXBMFYSA-N 1 3 336.476 3.033 10 0 EGAEHO NC1(C[NH2+]Cc2ccc(Sc3ccccc3)cc2)CCOCC1 ZINC000629654060 460849145 /nfs/dbraw/zinc/84/91/45/460849145.db2.gz MBBNRMIQMREGHP-UHFFFAOYSA-N 1 3 328.481 3.435 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000608061886 460973946 /nfs/dbraw/zinc/97/39/46/460973946.db2.gz CBQNIBPDWIZQJB-HNNXBMFYSA-N 1 3 332.488 3.230 10 0 EGAEHO Cc1cc2c(c(-c3ccccc3CN3CCN(C)CC3)c1)C[NH2+]CC2 ZINC000630053528 461011085 /nfs/dbraw/zinc/01/10/85/461011085.db2.gz QOBBEHUYHFJWSL-UHFFFAOYSA-N 1 3 335.495 3.055 10 0 EGAEHO C[C@]1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)CCCS1 ZINC000628205363 461048627 /nfs/dbraw/zinc/04/86/27/461048627.db2.gz MHRHWGJHYJUVSC-HXUWFJFHSA-N 1 3 347.572 3.464 10 0 EGAEHO O=C(CN1CCC[C@H](C2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662199899 461113686 /nfs/dbraw/zinc/11/36/86/461113686.db2.gz BHBHQIWSWHCRJG-SFHVURJKSA-N 1 3 347.547 3.022 10 0 EGAEHO Fc1ccccc1[C@@H](Cc1ccccc1)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283813 461165539 /nfs/dbraw/zinc/16/55/39/461165539.db2.gz VOTIXGZRFOLPGX-FXAWDEMLSA-N 1 3 340.442 3.220 10 0 EGAEHO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293664 461170833 /nfs/dbraw/zinc/17/08/33/461170833.db2.gz HNVXQROFHNJKKQ-GOEBONIOSA-N 1 3 349.906 3.379 10 0 EGAEHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C1(NC2CC2)CCC1 ZINC000662690780 461347192 /nfs/dbraw/zinc/34/71/92/461347192.db2.gz CNGYYFMONOTHFQ-UHFFFAOYSA-N 1 3 341.499 3.328 10 0 EGAEHO COc1ccc([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000655805623 461466175 /nfs/dbraw/zinc/46/61/75/461466175.db2.gz QGLZIZZFXFLLQF-RWMBFGLXSA-N 1 3 341.293 3.449 10 0 EGAEHO COc1ccc(C(C)C)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000655941114 461548097 /nfs/dbraw/zinc/54/80/97/461548097.db2.gz MMBWIORCGUIHSM-QUCCMNQESA-N 1 3 332.488 3.147 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)[C@H](c2ccccc2)C1 ZINC000647248857 461590559 /nfs/dbraw/zinc/59/05/59/461590559.db2.gz KSHPDOAOASPETB-MOPGFXCFSA-N 1 3 326.488 3.073 10 0 EGAEHO CC[N@H+](CCC1CCN(CCO[C@@H]2CC2(F)F)CC1)CC(C)C ZINC000660171691 461620137 /nfs/dbraw/zinc/62/01/37/461620137.db2.gz LNNQLSCNONDHHG-QGZVFWFLSA-N 1 3 332.479 3.491 10 0 EGAEHO CC[N@@H+](CCC1CCN(CCO[C@@H]2CC2(F)F)CC1)CC(C)C ZINC000660171691 461620146 /nfs/dbraw/zinc/62/01/46/461620146.db2.gz LNNQLSCNONDHHG-QGZVFWFLSA-N 1 3 332.479 3.491 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000643255212 461651858 /nfs/dbraw/zinc/65/18/58/461651858.db2.gz ARNBNRDSSRTZDM-OAQYLSRUSA-N 1 3 327.516 3.166 10 0 EGAEHO CCN1CCC([N@H+]2CCCN([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000643255212 461651865 /nfs/dbraw/zinc/65/18/65/461651865.db2.gz ARNBNRDSSRTZDM-OAQYLSRUSA-N 1 3 327.516 3.166 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479403 461725329 /nfs/dbraw/zinc/72/53/29/461725329.db2.gz GDFDJAARDWJIMN-IEZWGBDMSA-N 1 3 334.479 3.477 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NCC1([NH3+])CCCC1 ZINC000656788700 461897105 /nfs/dbraw/zinc/89/71/05/461897105.db2.gz BNKODYULTSVAFS-LLVKDONJSA-N 1 3 329.257 3.380 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(N)CCCC1 ZINC000656788700 461897114 /nfs/dbraw/zinc/89/71/14/461897114.db2.gz BNKODYULTSVAFS-LLVKDONJSA-N 1 3 329.257 3.380 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706897 461900220 /nfs/dbraw/zinc/90/02/20/461900220.db2.gz VFCGRZNIPRYJGM-QKNQBKEWSA-N 1 3 344.499 3.194 10 0 EGAEHO CC[C@H]1C[C@@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000657387738 462090033 /nfs/dbraw/zinc/09/00/33/462090033.db2.gz ZLPIMKGKXVFWDY-UXHICEINSA-N 1 3 346.515 3.215 10 0 EGAEHO Fc1cc(F)c(CNCC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000657535879 462171184 /nfs/dbraw/zinc/17/11/84/462171184.db2.gz SOBRPNSJMMMGLF-UHFFFAOYSA-N 1 3 342.405 3.085 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657594617 462196783 /nfs/dbraw/zinc/19/67/83/462196783.db2.gz CIBPFXZDLNPZAJ-DQLDELGASA-N 1 3 328.500 3.335 10 0 EGAEHO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657597007 462198963 /nfs/dbraw/zinc/19/89/63/462198963.db2.gz QPRIOYWCGMNBEV-GCJKJVERSA-N 1 3 338.495 3.282 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000648745128 462258640 /nfs/dbraw/zinc/25/86/40/462258640.db2.gz IRUJTZJZJSTOGA-ONCXSQPRSA-N 1 3 343.515 3.011 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000648745128 462258643 /nfs/dbraw/zinc/25/86/43/462258643.db2.gz IRUJTZJZJSTOGA-ONCXSQPRSA-N 1 3 343.515 3.011 10 0 EGAEHO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772190 462259647 /nfs/dbraw/zinc/25/96/47/462259647.db2.gz SESOBZZBBRIHPT-LJQANCHMSA-N 1 3 338.499 3.418 10 0 EGAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657839094 462291122 /nfs/dbraw/zinc/29/11/22/462291122.db2.gz LNKYTUWMLBRZAB-HXUWFJFHSA-N 1 3 347.572 3.199 10 0 EGAEHO c1ccc2c(CCN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232890 462362354 /nfs/dbraw/zinc/36/23/54/462362354.db2.gz XGMSEDFKNYXKDA-GHTZIAJQSA-N 1 3 349.434 3.216 10 0 EGAEHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CCc2ccco2)cc1 ZINC000665256739 462372852 /nfs/dbraw/zinc/37/28/52/462372852.db2.gz LDOUYCXBVUTOGR-XPGWFJOJSA-N 1 3 328.456 3.345 10 0 EGAEHO Cc1cc(Br)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000665267273 462376576 /nfs/dbraw/zinc/37/65/76/462376576.db2.gz TUTDDFCQXHEXGX-SDDRHHMPSA-N 1 3 329.307 3.297 10 0 EGAEHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265577 462376770 /nfs/dbraw/zinc/37/67/70/462376770.db2.gz YPWWNTNXPBCQIS-GOEBONIOSA-N 1 3 337.305 3.489 10 0 EGAEHO COCCN1CC[C@@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000651959800 462394260 /nfs/dbraw/zinc/39/42/60/462394260.db2.gz FFFQNWBNMYBNTM-GOSISDBHSA-N 1 3 349.544 3.007 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)C1 ZINC000658140614 462403499 /nfs/dbraw/zinc/40/34/99/462403499.db2.gz VISKHWQJGZATFB-WOJBJXKFSA-N 1 3 328.500 3.456 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142189 462405336 /nfs/dbraw/zinc/40/53/36/462405336.db2.gz VDCDQPPRVIWVFR-CTNGQTDRSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142189 462405338 /nfs/dbraw/zinc/40/53/38/462405338.db2.gz VDCDQPPRVIWVFR-CTNGQTDRSA-N 1 3 340.442 3.169 10 0 EGAEHO CN1CCC[N@H+](CCCN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000652150396 462451332 /nfs/dbraw/zinc/45/13/32/462451332.db2.gz VFLXILLKRNPOTE-MRXNPFEDSA-N 1 3 339.886 3.084 10 0 EGAEHO CN1CCC[N@@H+](CCCN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000652150396 462451336 /nfs/dbraw/zinc/45/13/36/462451336.db2.gz VFLXILLKRNPOTE-MRXNPFEDSA-N 1 3 339.886 3.084 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000677521287 549284848 /nfs/dbraw/zinc/28/48/48/549284848.db2.gz QQCRYXPISBKFNI-FQEVSTJZSA-N 1 3 325.456 3.263 10 0 EGAEHO CC(C)[NH+]1CCC(N2CCN([C@H]3CCc4ccccc43)CC2)CC1 ZINC000682075408 550069588 /nfs/dbraw/zinc/06/95/88/550069588.db2.gz GYTYZSWXBVWDHD-NRFANRHFSA-N 1 3 327.516 3.164 10 0 EGAEHO Cc1cc(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)cc(C)c1O ZINC000682475796 550103885 /nfs/dbraw/zinc/10/38/85/550103885.db2.gz CHJKWGDLXRIEQX-UHFFFAOYSA-N 1 3 342.483 3.282 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000684374221 550320907 /nfs/dbraw/zinc/32/09/07/550320907.db2.gz KYQOOKSSMJZPLS-FPOVZHCZSA-N 1 3 346.515 3.454 10 0 EGAEHO CN1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000108428279 1293080067 /nfs/dbraw/zinc/08/00/67/1293080067.db2.gz BHMHAMNXDTVSKD-KRWDZBQOSA-N 1 3 325.456 3.092 10 0 EGAEHO CC(C)(C)OC(=O)NCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178917895 1294761690 /nfs/dbraw/zinc/76/16/90/1294761690.db2.gz CBUHCKKRDYLXGM-UHFFFAOYSA-N 1 3 339.524 3.099 10 0 EGAEHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000872084014 1296724393 /nfs/dbraw/zinc/72/43/93/1296724393.db2.gz CMZVJERTJRJAIT-UXHICEINSA-N 1 3 331.504 3.088 10 0 EGAEHO C[C@H](NC(=O)[C@H](C)N(C)CCCCCC[NH3+])c1cc2ccccc2o1 ZINC000872155686 1296774478 /nfs/dbraw/zinc/77/44/78/1296774478.db2.gz YLQSZLGTVCWDEY-HOTGVXAUSA-N 1 3 345.487 3.449 10 0 EGAEHO Cc1cc(CN2CCC(Cc3ccc(C[NH+](C)C)cc3)CC2)n(C)n1 ZINC000581810089 1298018399 /nfs/dbraw/zinc/01/83/99/1298018399.db2.gz QZDJZBYSOSWFDB-UHFFFAOYSA-N 1 3 340.515 3.245 10 0 EGAEHO CCC[C@H](C)[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886631246 1303533468 /nfs/dbraw/zinc/53/34/68/1303533468.db2.gz HZOZEYRRMVUWLL-RKFFNLMFSA-N 1 3 330.516 3.426 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1 ZINC000897817833 1310477791 /nfs/dbraw/zinc/47/77/91/1310477791.db2.gz BROALDJEGAEKFW-ILEJNFISSA-N 1 3 338.495 3.053 10 0 EGAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c(Cl)oc3ccccc31)CC2 ZINC000923444895 1322752481 /nfs/dbraw/zinc/75/24/81/1322752481.db2.gz IPSRFSYSEHQGJH-CYBMUJFWSA-N 1 3 334.847 3.416 10 0 EGAEHO C[C@@H]1CN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923502048 1322763630 /nfs/dbraw/zinc/76/36/30/1322763630.db2.gz WQFXIWCEACXSEW-YVWKXTFCSA-N 1 3 337.467 3.283 10 0 EGAEHO c1ccc2c(c1)NC[C@H]2C[C@H]1COCCN1CCCC1CC[NH2+]CC1 ZINC000923553891 1322776500 /nfs/dbraw/zinc/77/65/00/1322776500.db2.gz WRKUVHCABHWTKF-MOPGFXCFSA-N 1 3 343.515 3.066 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCN2CCC(C)CC2)n(C)n1 ZINC000924580949 1323062343 /nfs/dbraw/zinc/06/23/43/1323062343.db2.gz ZSQQMDYPDLZIDZ-ICSRJNTNSA-N 1 3 332.536 3.151 10 0 EGAEHO Cc1nccn1CCN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931217903 1329072924 /nfs/dbraw/zinc/07/29/24/1329072924.db2.gz YJFHGKKAJDAVJY-OYRHEFFESA-N 1 3 338.499 3.036 10 0 EGAEHO Cc1nccn1CCN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931217903 1329072926 /nfs/dbraw/zinc/07/29/26/1329072926.db2.gz YJFHGKKAJDAVJY-OYRHEFFESA-N 1 3 338.499 3.036 10 0 EGAEHO Cc1nccn1CC[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000931217903 1329072929 /nfs/dbraw/zinc/07/29/29/1329072929.db2.gz YJFHGKKAJDAVJY-OYRHEFFESA-N 1 3 338.499 3.036 10 0 EGAEHO Cc1nccn1CC[N@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000931217903 1329072935 /nfs/dbraw/zinc/07/29/35/1329072935.db2.gz YJFHGKKAJDAVJY-OYRHEFFESA-N 1 3 338.499 3.036 10 0 EGAEHO Cc1nc2ccccc2n1CCCCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276736 1329083642 /nfs/dbraw/zinc/08/36/42/1329083642.db2.gz CQRMGGGPPNOJGI-YRWFTTLQSA-N 1 3 326.488 3.007 10 0 EGAEHO COc1cccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1OC ZINC000925476436 1325167370 /nfs/dbraw/zinc/16/73/70/1325167370.db2.gz BZFPCEWYCAIISU-ROUUACIJSA-N 1 3 332.488 3.004 10 0 EGAEHO CC1(C)C[C@@H](NC[C@H](O)c2ccccc2C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925484381 1325171092 /nfs/dbraw/zinc/17/10/92/1325171092.db2.gz DNNJVWJYUFUPRO-XUJVJEKNSA-N 1 3 330.394 3.234 10 0 EGAEHO CC1(C)[C@@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492729 1325175745 /nfs/dbraw/zinc/17/57/45/1325175745.db2.gz ICOLWZBBMSWLRA-LMSBXDPUSA-N 1 3 333.545 3.251 10 0 EGAEHO COc1cccc([C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)N2CCCC2)c1 ZINC000925507266 1325183598 /nfs/dbraw/zinc/18/35/98/1325183598.db2.gz VMCQLHOUVUPDCH-BJLQDIEVSA-N 1 3 345.531 3.328 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000925524707 1325190457 /nfs/dbraw/zinc/19/04/57/1325190457.db2.gz YLXVDHBGEPFUFS-NVXWUHKLSA-N 1 3 330.451 3.050 10 0 EGAEHO c1ccc(C2(C[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544333 1325200470 /nfs/dbraw/zinc/20/04/70/1325200470.db2.gz QALNKUIVRKAYIM-LEWJYISDSA-N 1 3 342.527 3.493 10 0 EGAEHO COc1cc([C@H](C)N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553815 1325205461 /nfs/dbraw/zinc/20/54/61/1325205461.db2.gz SAIZBCKVKCNJIJ-AEGPPILISA-N 1 3 336.476 3.269 10 0 EGAEHO COc1cc([C@H](C)N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553817 1325206002 /nfs/dbraw/zinc/20/60/02/1325206002.db2.gz SAIZBCKVKCNJIJ-NWANDNLSSA-N 1 3 336.476 3.269 10 0 EGAEHO [NH3+][C@@H]1C[C@H](NCCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658279 1325252384 /nfs/dbraw/zinc/25/23/84/1325252384.db2.gz WHUULOFQISPSRJ-CABCVRRESA-N 1 3 328.378 3.030 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000925674897 1325258123 /nfs/dbraw/zinc/25/81/23/1325258123.db2.gz FAGKBTZGOJPKJD-LTDCPUDJSA-N 1 3 331.479 3.018 10 0 EGAEHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728970 1325273145 /nfs/dbraw/zinc/27/31/45/1325273145.db2.gz GLIHKEQIMWPCTJ-HUUCEWRRSA-N 1 3 335.289 3.340 10 0 EGAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@@H]3Cc4ccc(Br)cc4[C@@H]31)[NH2+]2 ZINC000925731228 1325273618 /nfs/dbraw/zinc/27/36/18/1325273618.db2.gz ZIRVJZRLGHVUBH-NBUHGKAPSA-N 1 3 347.300 3.206 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000925781144 1325298892 /nfs/dbraw/zinc/29/88/92/1325298892.db2.gz HKXLFJDPCUHQAQ-YGRLFVJLSA-N 1 3 345.231 3.271 10 0 EGAEHO CC[C@H](NCCN1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000925811774 1325312955 /nfs/dbraw/zinc/31/29/55/1325312955.db2.gz RUNDOALJVMQPMA-INIZCTEOSA-N 1 3 330.303 3.457 10 0 EGAEHO C[C@H](NCCN1CCC([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000925814096 1325313327 /nfs/dbraw/zinc/31/33/27/1325313327.db2.gz FRLKRRSRWJQXLG-NSHDSACASA-N 1 3 347.837 3.015 10 0 EGAEHO Cc1cc([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cs1 ZINC000925817858 1325314778 /nfs/dbraw/zinc/31/47/78/1325314778.db2.gz RXHUTAYUDDCIFT-INIZCTEOSA-N 1 3 329.513 3.313 10 0 EGAEHO CCC[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cccnc1 ZINC000925817868 1325314830 /nfs/dbraw/zinc/31/48/30/1325314830.db2.gz SFKIEKUOTJSKTF-OAQYLSRUSA-N 1 3 338.499 3.118 10 0 EGAEHO Cc1ccc2cc([C@H](C)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850735 1325329288 /nfs/dbraw/zinc/32/92/88/1325329288.db2.gz PPYWGECWBRJYGC-HOCLYGCPSA-N 1 3 342.439 3.077 10 0 EGAEHO Cc1ccc([C@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858511 1325332906 /nfs/dbraw/zinc/33/29/06/1325332906.db2.gz UIHJZQSLXBZCEE-SJLPKXTDSA-N 1 3 346.471 3.094 10 0 EGAEHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000866307172 1330093936 /nfs/dbraw/zinc/09/39/36/1330093936.db2.gz SJBDOCSBGCNNCL-AVQSHMDHSA-N 1 3 346.490 3.417 10 0 EGAEHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000866702548 1330142552 /nfs/dbraw/zinc/14/25/52/1330142552.db2.gz CGZIBQBGIXGVCU-GOSISDBHSA-N 1 3 337.895 3.366 10 0 EGAEHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000866702548 1330142553 /nfs/dbraw/zinc/14/25/53/1330142553.db2.gz CGZIBQBGIXGVCU-GOSISDBHSA-N 1 3 337.895 3.366 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171125 1387306282 /nfs/dbraw/zinc/30/62/82/1387306282.db2.gz UEPSILLZTBKQTJ-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO c1cc(C[NH+]2CCCC2)cc(-c2nc([C@H]3CN4CCC3CC4)no2)c1 ZINC001323914876 1387495097 /nfs/dbraw/zinc/49/50/97/1387495097.db2.gz LYFFMADUEIZCOB-SFHVURJKSA-N 1 3 338.455 3.142 10 0 EGAEHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001324831158 1387785129 /nfs/dbraw/zinc/78/51/29/1387785129.db2.gz BCFLFVIYKDHPMY-OAQYLSRUSA-N 1 3 345.531 3.236 10 0 EGAEHO C[C@H]1CCc2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)sc2C1 ZINC001118438027 1371181924 /nfs/dbraw/zinc/18/19/24/1371181924.db2.gz DHJSJOPAZYDRMB-HOCLYGCPSA-N 1 3 333.545 3.480 10 0 EGAEHO Cc1nc(C)c(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)[nH]1 ZINC001119813870 1371407308 /nfs/dbraw/zinc/40/73/08/1371407308.db2.gz KWWHXHCWZXGTAR-HUUCEWRRSA-N 1 3 326.488 3.273 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC001326491057 1388216423 /nfs/dbraw/zinc/21/64/23/1388216423.db2.gz WVNYBRDMUFQJBV-INIZCTEOSA-N 1 3 331.504 3.094 10 0 EGAEHO CCCC[N@@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001326676542 1388279758 /nfs/dbraw/zinc/27/97/58/1388279758.db2.gz WCHPNKBMEGIKSN-FQEVSTJZSA-N 1 3 345.531 3.047 10 0 EGAEHO CCCC[N@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001326676542 1388279764 /nfs/dbraw/zinc/27/97/64/1388279764.db2.gz WCHPNKBMEGIKSN-FQEVSTJZSA-N 1 3 345.531 3.047 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001327149065 1388406191 /nfs/dbraw/zinc/40/61/91/1388406191.db2.gz XGVOSUQWPCRSED-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001327149065 1388406194 /nfs/dbraw/zinc/40/61/94/1388406194.db2.gz XGVOSUQWPCRSED-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001266159429 1377211429 /nfs/dbraw/zinc/21/14/29/1377211429.db2.gz PWMSTADGYUMHHA-MSOLQXFVSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@@H](c1ccccc1)[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001266159429 1377211431 /nfs/dbraw/zinc/21/14/31/1377211431.db2.gz PWMSTADGYUMHHA-MSOLQXFVSA-N 1 3 343.515 3.060 10 0 EGAEHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CCCCCC1 ZINC001271939750 1377653514 /nfs/dbraw/zinc/65/35/14/1377653514.db2.gz GXKJBSBVVHFASO-SFHVURJKSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001283434388 1378925796 /nfs/dbraw/zinc/92/57/96/1378925796.db2.gz PCOKUGNWXVHMKV-OALUTQOASA-N 1 3 331.504 3.106 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284193953 1379587161 /nfs/dbraw/zinc/58/71/61/1379587161.db2.gz HSYIHHUZDFSREO-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001284295839 1379684340 /nfs/dbraw/zinc/68/43/40/1379684340.db2.gz MFNCPSQRYFOQRH-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001328051038 1388654361 /nfs/dbraw/zinc/65/43/61/1388654361.db2.gz QHKGHPGEGLLFLD-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084596 1388666843 /nfs/dbraw/zinc/66/68/43/1388666843.db2.gz YZTKTUSRXNWYPE-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084596 1388666847 /nfs/dbraw/zinc/66/68/47/1388666847.db2.gz YZTKTUSRXNWYPE-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(C)(C)C1 ZINC001156836975 1380681323 /nfs/dbraw/zinc/68/13/23/1380681323.db2.gz RSUGKZDRHRVCKJ-IBGZPJMESA-N 1 3 343.515 3.133 10 0 EGAEHO CC[N@H+]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(C)(C)C1 ZINC001156836975 1380681348 /nfs/dbraw/zinc/68/13/48/1380681348.db2.gz RSUGKZDRHRVCKJ-IBGZPJMESA-N 1 3 343.515 3.133 10 0 EGAEHO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)n1 ZINC001328186377 1388686107 /nfs/dbraw/zinc/68/61/07/1388686107.db2.gz UMRQVNPMVICGSJ-GOSISDBHSA-N 1 3 348.454 3.047 10 0 EGAEHO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)n1 ZINC001328186377 1388686110 /nfs/dbraw/zinc/68/61/10/1388686110.db2.gz UMRQVNPMVICGSJ-GOSISDBHSA-N 1 3 348.454 3.047 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001328351690 1388728088 /nfs/dbraw/zinc/72/80/88/1388728088.db2.gz JZHVZNKZDNMEGF-ZWKOTPCHSA-N 1 3 345.531 3.333 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001329576166 1389163247 /nfs/dbraw/zinc/16/32/47/1389163247.db2.gz YRQYTPOUYHDBKE-AEFFLSMTSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001329576166 1389163251 /nfs/dbraw/zinc/16/32/51/1389163251.db2.gz YRQYTPOUYHDBKE-AEFFLSMTSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316678915 1384520311 /nfs/dbraw/zinc/52/03/11/1384520311.db2.gz MJXJDUSUCOBHSM-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C)N(C)C ZINC001316797524 1384587776 /nfs/dbraw/zinc/58/77/76/1384587776.db2.gz NBYDHSODKFZBMP-NZSAHSFTSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C)N(C)C ZINC001316797524 1384587777 /nfs/dbraw/zinc/58/77/77/1384587777.db2.gz NBYDHSODKFZBMP-NZSAHSFTSA-N 1 3 337.552 3.122 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC001316806730 1384599117 /nfs/dbraw/zinc/59/91/17/1384599117.db2.gz MMVFQWHTKJPAOG-FQEVSTJZSA-N 1 3 345.531 3.150 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1 ZINC001316806730 1384599118 /nfs/dbraw/zinc/59/91/18/1384599118.db2.gz MMVFQWHTKJPAOG-FQEVSTJZSA-N 1 3 345.531 3.150 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001316831065 1384624220 /nfs/dbraw/zinc/62/42/20/1384624220.db2.gz UXDLXURQAKQIGC-UXHICEINSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001316831065 1384624225 /nfs/dbraw/zinc/62/42/25/1384624225.db2.gz UXDLXURQAKQIGC-UXHICEINSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001317046147 1384821494 /nfs/dbraw/zinc/82/14/94/1384821494.db2.gz XMAPQDJFSZGCRB-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317046147 1384821497 /nfs/dbraw/zinc/82/14/97/1384821497.db2.gz XMAPQDJFSZGCRB-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001317084968 1384847889 /nfs/dbraw/zinc/84/78/89/1384847889.db2.gz CFQODXFOSARBLO-FHWLQOOXSA-N 1 3 335.536 3.066 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21)CC(C)(C)C ZINC001317105976 1384869208 /nfs/dbraw/zinc/86/92/08/1384869208.db2.gz PKCRICVMHYECBB-OALUTQOASA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21)CC(C)(C)C ZINC001317105976 1384869217 /nfs/dbraw/zinc/86/92/17/1384869217.db2.gz PKCRICVMHYECBB-OALUTQOASA-N 1 3 349.563 3.077 10 0 EGAEHO Cc1cccc(CN2CCCC[C@@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001317178282 1384952504 /nfs/dbraw/zinc/95/25/04/1384952504.db2.gz BCUPWGHYLISTCF-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001317415167 1385125222 /nfs/dbraw/zinc/12/52/22/1385125222.db2.gz IUZAYQSGMUZRCQ-HUUCEWRRSA-N 1 3 339.911 3.226 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CCC1CCCCC1 ZINC001317491660 1385192346 /nfs/dbraw/zinc/19/23/46/1385192346.db2.gz DQOHZSKYNVBRHZ-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)CCC1CCCCC1 ZINC001317491660 1385192348 /nfs/dbraw/zinc/19/23/48/1385192348.db2.gz DQOHZSKYNVBRHZ-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001317513247 1385225817 /nfs/dbraw/zinc/22/58/17/1385225817.db2.gz IZETXKSOJPKAPQ-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001317513247 1385225822 /nfs/dbraw/zinc/22/58/22/1385225822.db2.gz IZETXKSOJPKAPQ-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524103 1385244058 /nfs/dbraw/zinc/24/40/58/1385244058.db2.gz YCKMOLYLICWPAP-PWBPZBFBSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524103 1385244061 /nfs/dbraw/zinc/24/40/61/1385244061.db2.gz YCKMOLYLICWPAP-PWBPZBFBSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001698612174 1406242483 /nfs/dbraw/zinc/24/24/83/1406242483.db2.gz GFJNNSIZCACIJB-MJGOQNOKSA-N 1 3 345.531 3.136 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001318524358 1385734152 /nfs/dbraw/zinc/73/41/52/1385734152.db2.gz LTSNPLCVSULWRY-NZONOLPTSA-N 1 3 343.515 3.057 10 0 EGAEHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990759 1385914495 /nfs/dbraw/zinc/91/44/95/1385914495.db2.gz NITWNVCRLRQDDR-MOPGFXCFSA-N 1 3 349.494 3.013 10 0 EGAEHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001318990759 1385914500 /nfs/dbraw/zinc/91/45/00/1385914500.db2.gz NITWNVCRLRQDDR-MOPGFXCFSA-N 1 3 349.494 3.013 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001320104294 1386516137 /nfs/dbraw/zinc/51/61/37/1386516137.db2.gz QHHKPXAIUDXZAM-YHTLKTDXSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001320104294 1386516143 /nfs/dbraw/zinc/51/61/43/1386516143.db2.gz QHHKPXAIUDXZAM-YHTLKTDXSA-N 1 3 347.547 3.140 10 0 EGAEHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC001321757204 1386976923 /nfs/dbraw/zinc/97/69/23/1386976923.db2.gz YDDHMVSDFRAPMR-RHSMWYFYSA-N 1 3 339.911 3.226 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001321866330 1386999509 /nfs/dbraw/zinc/99/95/09/1386999509.db2.gz LZQUXXAFDUYMKN-HKUYNNGSSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC1CCCCCC1)N(C)C ZINC001322182017 1387090122 /nfs/dbraw/zinc/09/01/22/1387090122.db2.gz CZEXNKATZUSFNY-SJLPKXTDSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCC1CCCCCC1)N(C)C ZINC001322182017 1387090124 /nfs/dbraw/zinc/09/01/24/1387090124.db2.gz CZEXNKATZUSFNY-SJLPKXTDSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001322244476 1387118546 /nfs/dbraw/zinc/11/85/46/1387118546.db2.gz NKVVSUBBSNDJEI-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001322244476 1387118547 /nfs/dbraw/zinc/11/85/47/1387118547.db2.gz NKVVSUBBSNDJEI-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1cccc2ccccc21 ZINC001322843791 1387244982 /nfs/dbraw/zinc/24/49/82/1387244982.db2.gz JKTUYHYFJKHDFX-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001329201698 1389018753 /nfs/dbraw/zinc/01/87/53/1389018753.db2.gz FEXVGWMNBVDUCY-IAGOWNOFSA-N 1 3 341.499 3.163 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001329204189 1389021254 /nfs/dbraw/zinc/02/12/54/1389021254.db2.gz XTDUNYRMKOTJPE-DLBZAZTESA-N 1 3 341.499 3.163 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001698719185 1406363629 /nfs/dbraw/zinc/36/36/29/1406363629.db2.gz INHURDFWOOWTIS-CALCHBBNSA-N 1 3 343.515 3.065 10 0 EGAEHO CC(C)=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466180 1389419997 /nfs/dbraw/zinc/41/99/97/1389419997.db2.gz GXQWJDGGRYAXIA-IPMKNSEASA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466180 1389420000 /nfs/dbraw/zinc/42/00/00/1389420000.db2.gz GXQWJDGGRYAXIA-IPMKNSEASA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330469292 1389422638 /nfs/dbraw/zinc/42/26/38/1389422638.db2.gz QQEBGGLRRXCRSC-FHWLQOOXSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330469292 1389422641 /nfs/dbraw/zinc/42/26/41/1389422641.db2.gz QQEBGGLRRXCRSC-FHWLQOOXSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC(C)CC1)C2 ZINC001330512324 1389438393 /nfs/dbraw/zinc/43/83/93/1389438393.db2.gz QZXSCGRNCDWVQA-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC(C)CC1)C2 ZINC001330512324 1389438395 /nfs/dbraw/zinc/43/83/95/1389438395.db2.gz QZXSCGRNCDWVQA-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCCC(C)(C)C ZINC001331561236 1389799329 /nfs/dbraw/zinc/79/93/29/1389799329.db2.gz PWYQNVCIGFOADJ-INIZCTEOSA-N 1 3 327.557 3.227 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001331561549 1389800485 /nfs/dbraw/zinc/80/04/85/1389800485.db2.gz UKIGACDLDQWRDQ-YOEHRIQHSA-N 1 3 347.528 3.178 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001331943784 1389921200 /nfs/dbraw/zinc/92/12/00/1389921200.db2.gz KUSWBPHYGHLDEX-YLJYHZDGSA-N 1 3 345.531 3.377 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC001332031172 1389952503 /nfs/dbraw/zinc/95/25/03/1389952503.db2.gz JNOZCUHVMONLFE-QUCCMNQESA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001479259805 1392200254 /nfs/dbraw/zinc/20/02/54/1392200254.db2.gz CLYCDXGXKGXWSU-IEBWSBKVSA-N 1 3 331.504 3.012 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](CC2CCCCCC2)C2CC2)C1 ZINC001479875783 1392452225 /nfs/dbraw/zinc/45/22/25/1392452225.db2.gz HLGNGTOYIIFPFY-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](CC2CCCCCC2)C2CC2)C1 ZINC001479875783 1392452226 /nfs/dbraw/zinc/45/22/26/1392452226.db2.gz HLGNGTOYIIFPFY-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001480027921 1392540345 /nfs/dbraw/zinc/54/03/45/1392540345.db2.gz ZBTKDDFGCYQWFC-MOPGFXCFSA-N 1 3 349.563 3.027 10 0 EGAEHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1cc2ccccc2s1)N(C)C ZINC001480982610 1393066740 /nfs/dbraw/zinc/06/67/40/1393066740.db2.gz BSDZBCSTHMONFO-QGZVFWFLSA-N 1 3 347.528 3.180 10 0 EGAEHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1cc2ccccc2s1)N(C)C ZINC001480982610 1393066744 /nfs/dbraw/zinc/06/67/44/1393066744.db2.gz BSDZBCSTHMONFO-QGZVFWFLSA-N 1 3 347.528 3.180 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001490785252 1394345123 /nfs/dbraw/zinc/34/51/23/1394345123.db2.gz YNHWJIUGIDYTHS-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001490785252 1394345126 /nfs/dbraw/zinc/34/51/26/1394345126.db2.gz YNHWJIUGIDYTHS-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001490949360 1394382744 /nfs/dbraw/zinc/38/27/44/1394382744.db2.gz GWWAFXLONDJLNM-VAMGGRTRSA-N 1 3 345.531 3.133 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001491210643 1394473161 /nfs/dbraw/zinc/47/31/61/1394473161.db2.gz SRQCMMACESLHJV-UXHICEINSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001491210643 1394473162 /nfs/dbraw/zinc/47/31/62/1394473162.db2.gz SRQCMMACESLHJV-UXHICEINSA-N 1 3 343.515 3.032 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001698953338 1406697162 /nfs/dbraw/zinc/69/71/62/1406697162.db2.gz DGABYDBUWUJBEU-LJQANCHMSA-N 1 3 349.563 3.077 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001698953338 1406697165 /nfs/dbraw/zinc/69/71/65/1406697165.db2.gz DGABYDBUWUJBEU-LJQANCHMSA-N 1 3 349.563 3.077 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001482026680 1394685130 /nfs/dbraw/zinc/68/51/30/1394685130.db2.gz ZXMVISCKQPYIOG-VPLLLXJESA-N 1 3 337.552 3.312 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CCC(C)(C)C ZINC001482101633 1394746993 /nfs/dbraw/zinc/74/69/93/1394746993.db2.gz OEODOFHZARNYED-MRXNPFEDSA-N 1 3 325.541 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001483913130 1395141876 /nfs/dbraw/zinc/14/18/76/1395141876.db2.gz FLWBONGAGATAMW-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC(C)(C)C)C2 ZINC001484321495 1395339615 /nfs/dbraw/zinc/33/96/15/1395339615.db2.gz LNKIFGTXCOIAMD-KSZLIROESA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC(C)(C)C)C2 ZINC001484321495 1395339629 /nfs/dbraw/zinc/33/96/29/1395339629.db2.gz LNKIFGTXCOIAMD-KSZLIROESA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CN1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001484874447 1395576826 /nfs/dbraw/zinc/57/68/26/1395576826.db2.gz RWYRPFBUHZINNX-FQEVSTJZSA-N 1 3 343.515 3.149 10 0 EGAEHO CC(C)CN1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001484874447 1395576829 /nfs/dbraw/zinc/57/68/29/1395576829.db2.gz RWYRPFBUHZINNX-FQEVSTJZSA-N 1 3 343.515 3.149 10 0 EGAEHO C[C@H]1CCC[C@H](CC[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001484927094 1395594685 /nfs/dbraw/zinc/59/46/85/1395594685.db2.gz HTNSLLAYCCALDB-RBUKOAKNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1)N1CCCCCC1 ZINC001485359049 1395833735 /nfs/dbraw/zinc/83/37/35/1395833735.db2.gz SKVKCKZBYJGPGO-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1)N1CCCCCC1 ZINC001485359049 1395833741 /nfs/dbraw/zinc/83/37/41/1395833741.db2.gz SKVKCKZBYJGPGO-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001485459560 1395933148 /nfs/dbraw/zinc/93/31/48/1395933148.db2.gz VKCGVJYRAHMJAA-UHFFFAOYSA-N 1 3 349.494 3.075 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242512 1396188252 /nfs/dbraw/zinc/18/82/52/1396188252.db2.gz LQYIPBFJELEPTN-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CCc1ccccc1C[N@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001486365060 1396193341 /nfs/dbraw/zinc/19/33/41/1396193341.db2.gz ODCXFYLYXMJDHB-HXUWFJFHSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001486365060 1396193343 /nfs/dbraw/zinc/19/33/43/1396193343.db2.gz ODCXFYLYXMJDHB-HXUWFJFHSA-N 1 3 345.531 3.012 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001491966458 1396301657 /nfs/dbraw/zinc/30/16/57/1396301657.db2.gz ZFUPOBTZXWTETL-VQTJNVASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001491966458 1396301658 /nfs/dbraw/zinc/30/16/58/1396301658.db2.gz ZFUPOBTZXWTETL-VQTJNVASSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877989 1396327866 /nfs/dbraw/zinc/32/78/66/1396327866.db2.gz FHGQPUVMRWZXOW-LPHOPBHVSA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001494241922 1396407801 /nfs/dbraw/zinc/40/78/01/1396407801.db2.gz WBFZUOLJOBMXIN-WLMAVBAVSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001494250630 1396409659 /nfs/dbraw/zinc/40/96/59/1396409659.db2.gz HXQHTUUSRXWNHN-HMTUNPETSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001699004008 1406821341 /nfs/dbraw/zinc/82/13/41/1406821341.db2.gz KROCMVCQLQEGNH-RTBURBONSA-N 1 3 345.531 3.066 10 0 EGAEHO CCc1ncc(C(=O)NCC=CC[NH2+]C2CCc3ccccc32)s1 ZINC001497767007 1396837526 /nfs/dbraw/zinc/83/75/26/1396837526.db2.gz VOWAKMXBNAPEOS-KJPDOMRESA-N 1 3 341.480 3.269 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001699029065 1406866714 /nfs/dbraw/zinc/86/67/14/1406866714.db2.gz OETUEKUSPOPDLS-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689912176 1404205744 /nfs/dbraw/zinc/20/57/44/1404205744.db2.gz RLBYOHHKMHWSFP-IAGOWNOFSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189452 1404391685 /nfs/dbraw/zinc/39/16/85/1404391685.db2.gz UDOFJTBASKCFPM-FQQSSWHASA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189452 1404391690 /nfs/dbraw/zinc/39/16/90/1404391690.db2.gz UDOFJTBASKCFPM-FQQSSWHASA-N 1 3 349.563 3.388 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)c1 ZINC001690368269 1404499712 /nfs/dbraw/zinc/49/97/12/1404499712.db2.gz SAUFMMIJDPPQFV-BGYRXZFFSA-N 1 3 343.515 3.179 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001690381323 1404512870 /nfs/dbraw/zinc/51/28/70/1404512870.db2.gz LYNCNZSRVHEYRS-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001690381323 1404512873 /nfs/dbraw/zinc/51/28/73/1404512873.db2.gz LYNCNZSRVHEYRS-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC1=CCCCC1 ZINC001690650646 1404681824 /nfs/dbraw/zinc/68/18/24/1404681824.db2.gz OLNVRQQIGFAPMD-KRWDZBQOSA-N 1 3 343.515 3.347 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001690757573 1404711941 /nfs/dbraw/zinc/71/19/41/1404711941.db2.gz LTGBBKRUWIOFHK-IBGZPJMESA-N 1 3 345.531 3.236 10 0 EGAEHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691113929 1405054844 /nfs/dbraw/zinc/05/48/44/1405054844.db2.gz YLMQHEIIKQMJGM-OALUTQOASA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392429 1405230286 /nfs/dbraw/zinc/23/02/86/1405230286.db2.gz QIEHUMOWBZAYPZ-OVKVCFKUSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001691620334 1405361307 /nfs/dbraw/zinc/36/13/07/1405361307.db2.gz JKEINUYPFQUDJF-RBUKOAKNSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001691636925 1405372612 /nfs/dbraw/zinc/37/26/12/1405372612.db2.gz PHSLRDQDADGFAD-ICSRJNTNSA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001691726680 1405450208 /nfs/dbraw/zinc/45/02/08/1405450208.db2.gz CGMWFPPRZXKKMQ-QFBILLFUSA-N 1 3 344.503 3.059 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691819830 1405536059 /nfs/dbraw/zinc/53/60/59/1405536059.db2.gz YNCYFSOXCPAIMT-ZWKOTPCHSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691819830 1405536064 /nfs/dbraw/zinc/53/60/64/1405536064.db2.gz YNCYFSOXCPAIMT-ZWKOTPCHSA-N 1 3 339.568 3.226 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001691823375 1405539084 /nfs/dbraw/zinc/53/90/84/1405539084.db2.gz NKXFYSCOOANRPB-OJXHRBAXSA-N 1 3 343.943 3.078 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001692101339 1405771806 /nfs/dbraw/zinc/77/18/06/1405771806.db2.gz DIRBHSKNUMSBNP-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692104682 1405773450 /nfs/dbraw/zinc/77/34/50/1405773450.db2.gz YTMNXWZLZWGBPM-IEBWSBKVSA-N 1 3 331.504 3.060 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001692121266 1405783622 /nfs/dbraw/zinc/78/36/22/1405783622.db2.gz QXTVKWQGXUXYSV-XSAZBNQGSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732213333 1428461346 /nfs/dbraw/zinc/46/13/46/1428461346.db2.gz YBWZDUSIBMHMNE-LPHOPBHVSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280688 1428512683 /nfs/dbraw/zinc/51/26/83/1428512683.db2.gz LOFIVMAKMNLBEA-RXVVDRJESA-N 1 3 349.563 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001699060938 1412492496 /nfs/dbraw/zinc/49/24/96/1412492496.db2.gz NOXXLJJZLSADAX-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001699060940 1412492589 /nfs/dbraw/zinc/49/25/89/1412492589.db2.gz NOXXLJJZLSADAX-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699197929 1412567914 /nfs/dbraw/zinc/56/79/14/1412567914.db2.gz RWZMRYLYOJKADT-INIZCTEOSA-N 1 3 349.494 3.199 10 0 EGAEHO CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@@H]2CCCCN2CC)c1 ZINC001699220117 1412584568 /nfs/dbraw/zinc/58/45/68/1412584568.db2.gz MOOKEXBHBBTKAF-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO CCc1ccc(CN(C)C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001699455083 1412798313 /nfs/dbraw/zinc/79/83/13/1412798313.db2.gz QDFQYRBTZNFPMR-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccc(CN(C)C[C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001699455083 1412798319 /nfs/dbraw/zinc/79/83/19/1412798319.db2.gz QDFQYRBTZNFPMR-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1C ZINC001699553746 1412920874 /nfs/dbraw/zinc/92/08/74/1412920874.db2.gz HQPVVVYHLQGALJ-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001699681600 1413075768 /nfs/dbraw/zinc/07/57/68/1413075768.db2.gz RZCHQHXZKHSKNH-XVLXNVKGSA-N 1 3 337.552 3.265 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001699732572 1413144196 /nfs/dbraw/zinc/14/41/96/1413144196.db2.gz HFJQFKKGWGDULE-PLQXZHKYSA-N 1 3 335.536 3.186 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)CCC1 ZINC001699752652 1413160005 /nfs/dbraw/zinc/16/00/05/1413160005.db2.gz AQPNCKZYLAKDQI-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCC1 ZINC001699796097 1413205080 /nfs/dbraw/zinc/20/50/80/1413205080.db2.gz LJVFAJZJNRZNRN-UXHICEINSA-N 1 3 349.563 3.480 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001699991636 1413438771 /nfs/dbraw/zinc/43/87/71/1413438771.db2.gz SFPNPGWMEVABRJ-ZCNNSNEGSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001699991636 1413438775 /nfs/dbraw/zinc/43/87/75/1413438775.db2.gz SFPNPGWMEVABRJ-ZCNNSNEGSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077657 1413491832 /nfs/dbraw/zinc/49/18/32/1413491832.db2.gz JVHSPCSYBCGTTG-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001700104833 1413523441 /nfs/dbraw/zinc/52/34/41/1413523441.db2.gz YEFRGQUHVVBNQG-UFYCRDLUSA-N 1 3 349.563 3.314 10 0 EGAEHO CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001700217949 1413661941 /nfs/dbraw/zinc/66/19/41/1413661941.db2.gz PUMADPQYQBOROW-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001700289587 1413739481 /nfs/dbraw/zinc/73/94/81/1413739481.db2.gz RABBSDGTYMFBOO-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001700323663 1413791858 /nfs/dbraw/zinc/79/18/58/1413791858.db2.gz JXOLCAQVEZCGCB-SJORKVTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001700323663 1413791859 /nfs/dbraw/zinc/79/18/59/1413791859.db2.gz JXOLCAQVEZCGCB-SJORKVTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001700527541 1414191064 /nfs/dbraw/zinc/19/10/64/1414191064.db2.gz WBLDQJYMPVRTNV-YZPMEYCISA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001700527541 1414191066 /nfs/dbraw/zinc/19/10/66/1414191066.db2.gz WBLDQJYMPVRTNV-YZPMEYCISA-N 1 3 337.552 3.290 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905738 1414560594 /nfs/dbraw/zinc/56/05/94/1414560594.db2.gz VGHQUOZGTYQUNS-MSOLQXFVSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001700922694 1414575114 /nfs/dbraw/zinc/57/51/14/1414575114.db2.gz DDESRFBGKBJCHH-ROUUACIJSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)N(CCN(C)CC1=CCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700972430 1414599065 /nfs/dbraw/zinc/59/90/65/1414599065.db2.gz ILVRLACIXPPWAA-ICSRJNTNSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)N(CCN(C)CC1=CCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001700972430 1414599069 /nfs/dbraw/zinc/59/90/69/1414599069.db2.gz ILVRLACIXPPWAA-ICSRJNTNSA-N 1 3 349.563 3.386 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)c1 ZINC001700980586 1414620701 /nfs/dbraw/zinc/62/07/01/1414620701.db2.gz LYCUIELZIDMHHW-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO Cc1cc(C)cc(C[N@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)c1 ZINC001700980586 1414620702 /nfs/dbraw/zinc/62/07/02/1414620702.db2.gz LYCUIELZIDMHHW-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001701011613 1414671270 /nfs/dbraw/zinc/67/12/70/1414671270.db2.gz SZSDCHCEUIQYQQ-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001707239504 1417259509 /nfs/dbraw/zinc/25/95/09/1417259509.db2.gz QJPQQYDPUXVXLG-GOSISDBHSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1cccc2ccccc21 ZINC001713664202 1418421948 /nfs/dbraw/zinc/42/19/48/1418421948.db2.gz KIOZUQJJOHJLLS-KRWDZBQOSA-N 1 3 339.483 3.045 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)CN2CCCC2)cc1 ZINC001713664445 1418421966 /nfs/dbraw/zinc/42/19/66/1418421966.db2.gz SZLBUQVIHXORMR-QGZVFWFLSA-N 1 3 331.504 3.015 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001713683553 1418436381 /nfs/dbraw/zinc/43/63/81/1418436381.db2.gz ZLDKFVBOJJRCMU-SJLPKXTDSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001713700150 1418457446 /nfs/dbraw/zinc/45/74/46/1418457446.db2.gz BJDFDPFBFGSWIB-XLIONFOSSA-N 1 3 349.494 3.054 10 0 EGAEHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713913413 1418709409 /nfs/dbraw/zinc/70/94/09/1418709409.db2.gz XBGLMMIYHJEACK-ZGXWSNOMSA-N 1 3 349.563 3.218 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001713973370 1418752875 /nfs/dbraw/zinc/75/28/75/1418752875.db2.gz HTNWSXAYWQHODO-NSHGMRRFSA-N 1 3 345.531 3.141 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001713973370 1418752877 /nfs/dbraw/zinc/75/28/77/1418752877.db2.gz HTNWSXAYWQHODO-NSHGMRRFSA-N 1 3 345.531 3.141 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714044431 1418835836 /nfs/dbraw/zinc/83/58/36/1418835836.db2.gz QCOOGTARAQYKNE-RBUKOAKNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714044431 1418835839 /nfs/dbraw/zinc/83/58/39/1418835839.db2.gz QCOOGTARAQYKNE-RBUKOAKNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714065787 1418862329 /nfs/dbraw/zinc/86/23/29/1418862329.db2.gz KDHOQYMGILUMAW-SFFCAUCYSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075635 1418870100 /nfs/dbraw/zinc/87/01/00/1418870100.db2.gz YUEJFOYMUKZIJM-WOJBJXKFSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)CC1 ZINC001714317296 1419095520 /nfs/dbraw/zinc/09/55/20/1419095520.db2.gz WJHMJVRKCQSPKH-NZKYNAJMSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001715195808 1419927885 /nfs/dbraw/zinc/92/78/85/1419927885.db2.gz LYECGUHUCBMEAU-HXUWFJFHSA-N 1 3 345.531 3.311 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001715210639 1419943760 /nfs/dbraw/zinc/94/37/60/1419943760.db2.gz SGDINAOYMZEXPZ-OJBOGMDESA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001715238551 1419969141 /nfs/dbraw/zinc/96/91/41/1419969141.db2.gz ZWROPAAQMGTYTM-DPZZJQGRSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CCCCC1 ZINC001715404422 1420102951 /nfs/dbraw/zinc/10/29/51/1420102951.db2.gz KNLLOYUMQTUIAP-OALUTQOASA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001715561776 1420253563 /nfs/dbraw/zinc/25/35/63/1420253563.db2.gz SOWQOWIZPRMXQB-OBNUAKFSSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)cc1C ZINC001715578612 1420260909 /nfs/dbraw/zinc/26/09/09/1420260909.db2.gz RTFFBUUOTKDLPK-WOJBJXKFSA-N 1 3 345.531 3.018 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001715710343 1420305246 /nfs/dbraw/zinc/30/52/46/1420305246.db2.gz BCQPVXPTWJLCOW-AZUAARDMSA-N 1 3 345.531 3.162 10 0 EGAEHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCC2CCCCCC2)CCC1 ZINC001715827055 1420358808 /nfs/dbraw/zinc/35/88/08/1420358808.db2.gz OLQCFUQONWFBLR-BQYQJAHWSA-N 1 3 335.536 3.093 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001715859687 1420370745 /nfs/dbraw/zinc/37/07/45/1420370745.db2.gz QYFLPWWBGPPUCJ-FQEVSTJZSA-N 1 3 345.531 3.068 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001715859687 1420370747 /nfs/dbraw/zinc/37/07/47/1420370747.db2.gz QYFLPWWBGPPUCJ-FQEVSTJZSA-N 1 3 345.531 3.068 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001715911570 1420394352 /nfs/dbraw/zinc/39/43/52/1420394352.db2.gz ICPAFHIXJJAXPL-IYKSTZQJSA-N 1 3 337.895 3.003 10 0 EGAEHO Cc1cc(CNC/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)cs1 ZINC001716293779 1420596007 /nfs/dbraw/zinc/59/60/07/1420596007.db2.gz LCORKFQDPGQHMN-WAYWQWQTSA-N 1 3 349.544 3.083 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2 ZINC001716724284 1420882065 /nfs/dbraw/zinc/88/20/65/1420882065.db2.gz YOUXTHGIOCFHGY-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2 ZINC001716724284 1420882069 /nfs/dbraw/zinc/88/20/69/1420882069.db2.gz YOUXTHGIOCFHGY-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCCC(C)C)CC2)N(C)C ZINC001716727356 1420886392 /nfs/dbraw/zinc/88/63/92/1420886392.db2.gz AGBDWRWQPXXGJY-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001716734015 1420892598 /nfs/dbraw/zinc/89/25/98/1420892598.db2.gz NXJDZJDURNFZAA-OAQYLSRUSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001716734015 1420892600 /nfs/dbraw/zinc/89/26/00/1420892600.db2.gz NXJDZJDURNFZAA-OAQYLSRUSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)N(C)C ZINC001716820967 1420947564 /nfs/dbraw/zinc/94/75/64/1420947564.db2.gz LGNVICXSJPSFKN-VQTJNVASSA-N 1 3 349.563 3.338 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001716830098 1420956671 /nfs/dbraw/zinc/95/66/71/1420956671.db2.gz JFENUSJGFKGKJO-OAQYLSRUSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001716830098 1420956672 /nfs/dbraw/zinc/95/66/72/1420956672.db2.gz JFENUSJGFKGKJO-OAQYLSRUSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001716996856 1421065864 /nfs/dbraw/zinc/06/58/64/1421065864.db2.gz FQJSFQREOWOETQ-FXAWDEMLSA-N 1 3 345.531 3.092 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001717128727 1421129688 /nfs/dbraw/zinc/12/96/88/1421129688.db2.gz KPLSQIUCESTOCX-FPLPWBNLSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001717201944 1421169704 /nfs/dbraw/zinc/16/97/04/1421169704.db2.gz LLGBFMDKEGZCGG-QZTJIDSGSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001717201944 1421169705 /nfs/dbraw/zinc/16/97/05/1421169705.db2.gz LLGBFMDKEGZCGG-QZTJIDSGSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001717337995 1421275347 /nfs/dbraw/zinc/27/53/47/1421275347.db2.gz ONAZQTWJPJSQLP-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001717337995 1421275349 /nfs/dbraw/zinc/27/53/49/1421275349.db2.gz ONAZQTWJPJSQLP-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001717409575 1421342090 /nfs/dbraw/zinc/34/20/90/1421342090.db2.gz FJWBTYUZDGMNNM-DLBZAZTESA-N 1 3 335.536 3.234 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001733296146 1429478434 /nfs/dbraw/zinc/47/84/34/1429478434.db2.gz DIMTZHHDSFYQPA-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001733296146 1429478436 /nfs/dbraw/zinc/47/84/36/1429478436.db2.gz DIMTZHHDSFYQPA-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001717652938 1421552204 /nfs/dbraw/zinc/55/22/04/1421552204.db2.gz WXFBFBLVPJNQMN-UFYCRDLUSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001717721693 1421590103 /nfs/dbraw/zinc/59/01/03/1421590103.db2.gz KQDUUMPWUCFPMI-MSOLQXFVSA-N 1 3 325.541 3.026 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001733336186 1429521150 /nfs/dbraw/zinc/52/11/50/1429521150.db2.gz RKNQRXPNKXQNCY-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1CC ZINC001723369838 1424374079 /nfs/dbraw/zinc/37/40/79/1424374079.db2.gz FJHQJQJJWANJBI-LOYZYROESA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC001724342911 1424840002 /nfs/dbraw/zinc/84/00/02/1424840002.db2.gz FMNVBMPTPPXPES-AZUAARDMSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC001724342911 1424840006 /nfs/dbraw/zinc/84/00/06/1424840006.db2.gz FMNVBMPTPPXPES-AZUAARDMSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001725138356 1425615143 /nfs/dbraw/zinc/61/51/43/1425615143.db2.gz NEZRKWKCOZYXTO-WWDZGPRUSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001725772377 1426456271 /nfs/dbraw/zinc/45/62/71/1426456271.db2.gz VTZNQFLDSGHKSW-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC001725784737 1426469856 /nfs/dbraw/zinc/46/98/56/1426469856.db2.gz CXINFMNECJYABR-SOAGJPPSSA-N 1 3 345.531 3.229 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725798806 1426483334 /nfs/dbraw/zinc/48/33/34/1426483334.db2.gz ZEGNPYWZXNFFQC-IRXDYDNUSA-N 1 3 347.547 3.020 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001731679640 1427727874 /nfs/dbraw/zinc/72/78/74/1427727874.db2.gz MTAWPLXJYFSHKD-MOPGFXCFSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001731720056 1427788807 /nfs/dbraw/zinc/78/88/07/1427788807.db2.gz NXHSOKJHQIPNNF-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001731720056 1427788811 /nfs/dbraw/zinc/78/88/11/1427788811.db2.gz NXHSOKJHQIPNNF-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001731750628 1427844865 /nfs/dbraw/zinc/84/48/65/1427844865.db2.gz KVVHLCAYXXXDOA-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CCC(C)(C)C)CCC1 ZINC001731750628 1427844870 /nfs/dbraw/zinc/84/48/70/1427844870.db2.gz KVVHLCAYXXXDOA-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C(C)C)cc1 ZINC001731832321 1428043580 /nfs/dbraw/zinc/04/35/80/1428043580.db2.gz HYEDEGPIKLPMOR-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C(C)C)cc1 ZINC001731832321 1428043585 /nfs/dbraw/zinc/04/35/85/1428043585.db2.gz HYEDEGPIKLPMOR-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)=CCN(CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001731877345 1428142670 /nfs/dbraw/zinc/14/26/70/1428142670.db2.gz RVKRFADZCPMMSP-SFHVURJKSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)=CCN(CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001731877345 1428142672 /nfs/dbraw/zinc/14/26/72/1428142672.db2.gz RVKRFADZCPMMSP-SFHVURJKSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733777462 1430027314 /nfs/dbraw/zinc/02/73/14/1430027314.db2.gz NKVDRQONFBBLNM-IAGOWNOFSA-N 1 3 349.494 3.009 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001733777462 1430027318 /nfs/dbraw/zinc/02/73/18/1430027318.db2.gz NKVDRQONFBBLNM-IAGOWNOFSA-N 1 3 349.494 3.009 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941030 1437757278 /nfs/dbraw/zinc/75/72/78/1437757278.db2.gz NGTWTTRJAMTXSZ-QZTJIDSGSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941030 1437757280 /nfs/dbraw/zinc/75/72/80/1437757280.db2.gz NGTWTTRJAMTXSZ-QZTJIDSGSA-N 1 3 346.519 3.093 10 0 EGAEHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733975050 1437774868 /nfs/dbraw/zinc/77/48/68/1437774868.db2.gz XQTZJTDYTQQSOI-SJORKVTESA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)CCC[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001734011942 1437803498 /nfs/dbraw/zinc/80/34/98/1437803498.db2.gz ABSJIDDMZRRANG-UHFFFAOYSA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001734025386 1437813587 /nfs/dbraw/zinc/81/35/87/1437813587.db2.gz OKAPGJHEXGFSPU-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC1CCC(C)CC1 ZINC001734044649 1437832929 /nfs/dbraw/zinc/83/29/29/1437832929.db2.gz PNTMVHRFSDRRCC-LXPRWKDFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC1CCC(C)CC1 ZINC001734044649 1437832931 /nfs/dbraw/zinc/83/29/31/1437832931.db2.gz PNTMVHRFSDRRCC-LXPRWKDFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080735 1437867843 /nfs/dbraw/zinc/86/78/43/1437867843.db2.gz MWAQCUIPXIIZEZ-ICSRJNTNSA-N 1 3 349.563 3.291 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC001734198572 1437940029 /nfs/dbraw/zinc/94/00/29/1437940029.db2.gz OONMHLFKRPIITI-BGYRXZFFSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCC)C[C@]2(C)C1 ZINC001734198572 1437940030 /nfs/dbraw/zinc/94/00/30/1437940030.db2.gz OONMHLFKRPIITI-BGYRXZFFSA-N 1 3 337.552 3.079 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001734550551 1438147712 /nfs/dbraw/zinc/14/77/12/1438147712.db2.gz IETONHXWNFRZKG-MOPGFXCFSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001734550551 1438147714 /nfs/dbraw/zinc/14/77/14/1438147714.db2.gz IETONHXWNFRZKG-MOPGFXCFSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001734588112 1438178123 /nfs/dbraw/zinc/17/81/23/1438178123.db2.gz UYYYQAXBVITYKX-KRWDZBQOSA-N 1 3 339.568 3.370 10 0 EGAEHO CC/C=C/CC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001734625492 1438191130 /nfs/dbraw/zinc/19/11/30/1438191130.db2.gz ISOZDEMBUAPUHF-AATRIKPKSA-N 1 3 347.547 3.356 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001734625492 1438191131 /nfs/dbraw/zinc/19/11/31/1438191131.db2.gz ISOZDEMBUAPUHF-AATRIKPKSA-N 1 3 347.547 3.356 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000341259884 141145940 /nfs/dbraw/zinc/14/59/40/141145940.db2.gz LRDPOZKDYYLJTL-HZPDHXFCSA-N 1 3 332.492 3.133 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000353461593 141301941 /nfs/dbraw/zinc/30/19/41/141301941.db2.gz MLHSYYADBNYZKM-KSZLIROESA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000353461593 141301943 /nfs/dbraw/zinc/30/19/43/141301943.db2.gz MLHSYYADBNYZKM-KSZLIROESA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1OC ZINC000353461593 141301945 /nfs/dbraw/zinc/30/19/45/141301945.db2.gz MLHSYYADBNYZKM-KSZLIROESA-N 1 3 332.488 3.446 10 0 EGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(-c3ccccc3)o2)CC1 ZINC000121079074 152323830 /nfs/dbraw/zinc/32/38/30/152323830.db2.gz SPZUYDYXWUDHKH-QGZVFWFLSA-N 1 3 342.483 3.471 10 0 EGAEHO c1cn(CCC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000248406290 163001309 /nfs/dbraw/zinc/00/13/09/163001309.db2.gz SFPINVGBBLVFFH-ACRUOGEOSA-N 1 3 338.499 3.164 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CN1Cc1ccccc1 ZINC000354794393 166033670 /nfs/dbraw/zinc/03/36/70/166033670.db2.gz KLOJAUSFJSRIHW-RLLQIKCJSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CN1Cc1ccccc1 ZINC000354794393 166033671 /nfs/dbraw/zinc/03/36/71/166033671.db2.gz KLOJAUSFJSRIHW-RLLQIKCJSA-N 1 3 343.515 3.030 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cn1 ZINC000346169703 164355832 /nfs/dbraw/zinc/35/58/32/164355832.db2.gz MTNVJVRQOAVKSI-KXBFYZLASA-N 1 3 342.512 3.383 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cn1 ZINC000346169703 164355833 /nfs/dbraw/zinc/35/58/33/164355833.db2.gz MTNVJVRQOAVKSI-KXBFYZLASA-N 1 3 342.512 3.383 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H]2CCC[C@H]21 ZINC000367624678 168251323 /nfs/dbraw/zinc/25/13/23/168251323.db2.gz WOUSHNZOXHVVTG-HSALFYBXSA-N 1 3 341.499 3.388 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000193007695 266002838 /nfs/dbraw/zinc/00/28/38/266002838.db2.gz AGSLWHWEOBLBCY-CQSZACIVSA-N 1 3 329.941 3.468 10 0 EGAEHO CN(C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCC1 ZINC000278707948 275267239 /nfs/dbraw/zinc/26/72/39/275267239.db2.gz LJZFUGSILMDXAL-OWZKRDHZSA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000414162654 309064050 /nfs/dbraw/zinc/06/40/50/309064050.db2.gz DOLRJEQAFMVVNI-UTKZUKDTSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cncn2c1 ZINC000414162654 309064051 /nfs/dbraw/zinc/06/40/51/309064051.db2.gz DOLRJEQAFMVVNI-UTKZUKDTSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cncn2c1 ZINC000414162654 309064052 /nfs/dbraw/zinc/06/40/52/309064052.db2.gz DOLRJEQAFMVVNI-UTKZUKDTSA-N 1 3 334.467 3.335 10 0 EGAEHO Cc1cccnc1CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000295857960 308367900 /nfs/dbraw/zinc/36/79/00/308367900.db2.gz BIFWUTLVOHBDRK-KRWDZBQOSA-N 1 3 327.472 3.224 10 0 EGAEHO COc1cccc(NC(=O)C[C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414810272 309102963 /nfs/dbraw/zinc/10/29/63/309102963.db2.gz HRIFSFGECWZPKX-LSDHHAIUSA-N 1 3 341.455 3.222 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000414810831 309103095 /nfs/dbraw/zinc/10/30/95/309103095.db2.gz OPHGQYMNVDWEOZ-UONOGXRCSA-N 1 3 329.419 3.352 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414918813 309109290 /nfs/dbraw/zinc/10/92/90/309109290.db2.gz VHIANHKGELNMMV-WBMJQRKESA-N 1 3 343.284 3.499 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918813 309109291 /nfs/dbraw/zinc/10/92/91/309109291.db2.gz VHIANHKGELNMMV-WBMJQRKESA-N 1 3 343.284 3.499 10 0 EGAEHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414908244 309108704 /nfs/dbraw/zinc/10/87/04/309108704.db2.gz BDUVPOZQQYPXIW-FZKQIMNGSA-N 1 3 339.886 3.031 10 0 EGAEHO COc1ccc([C@H](CNC[C@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085389 309119369 /nfs/dbraw/zinc/11/93/69/309119369.db2.gz QCGYZQSDIJTLMT-QUCCMNQESA-N 1 3 333.520 3.185 10 0 EGAEHO COc1ccc([C@H](C[NH2+]C[C@H](N)CC(C)C)N2CCCCC2)cc1 ZINC000415085389 309119370 /nfs/dbraw/zinc/11/93/70/309119370.db2.gz QCGYZQSDIJTLMT-QUCCMNQESA-N 1 3 333.520 3.185 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415129444 309122485 /nfs/dbraw/zinc/12/24/85/309122485.db2.gz UXVBGAYGAHWCSV-MOPGFXCFSA-N 1 3 332.488 3.030 10 0 EGAEHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422701613 309363741 /nfs/dbraw/zinc/36/37/41/309363741.db2.gz DLKAMCVRXHBVMP-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422700253 309363767 /nfs/dbraw/zinc/36/37/67/309363767.db2.gz BVCAJCJSHZZTKJ-VQTJNVASSA-N 1 3 325.456 3.410 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000422776875 309367780 /nfs/dbraw/zinc/36/77/80/309367780.db2.gz FBVLOZMJCBMUDO-BQJUDKOJSA-N 1 3 329.532 3.498 10 0 EGAEHO COC[C@H](CCC[NH3+])NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422795570 309368915 /nfs/dbraw/zinc/36/89/15/309368915.db2.gz HPKHFRPEYNXFBE-KRWDZBQOSA-N 1 3 332.419 3.462 10 0 EGAEHO COc1cccc(N2CC[C@H](CN[C@@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896984 309374851 /nfs/dbraw/zinc/37/48/51/309374851.db2.gz BCBXZFCEPDCKNU-IPMKNSEASA-N 1 3 345.531 3.422 10 0 EGAEHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423051791 309383169 /nfs/dbraw/zinc/38/31/69/309383169.db2.gz PBZWXOFHLTVGOX-CEXWTWQISA-N 1 3 328.456 3.030 10 0 EGAEHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cccc(C(F)(F)F)n1 ZINC000423127365 309387306 /nfs/dbraw/zinc/38/73/06/309387306.db2.gz BYOQJFJMRXPQOY-BBRMVZONSA-N 1 3 337.389 3.191 10 0 EGAEHO CS[C@@H]1CC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000425349726 309475060 /nfs/dbraw/zinc/47/50/60/309475060.db2.gz LCZWJNXWPDOGTE-RTBURBONSA-N 1 3 333.545 3.072 10 0 EGAEHO CC[N@@H+]1CC[C@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000449085780 310035904 /nfs/dbraw/zinc/03/59/04/310035904.db2.gz ACZVICITUQBHAP-CYBMUJFWSA-N 1 3 348.288 3.429 10 0 EGAEHO CC[N@H+]1CC[C@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000449085780 310035905 /nfs/dbraw/zinc/03/59/05/310035905.db2.gz ACZVICITUQBHAP-CYBMUJFWSA-N 1 3 348.288 3.429 10 0 EGAEHO CCN1CC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449085780 310035906 /nfs/dbraw/zinc/03/59/06/310035906.db2.gz ACZVICITUQBHAP-CYBMUJFWSA-N 1 3 348.288 3.429 10 0 EGAEHO [NH3+]CCCN(c1ccccc1F)C1CCN(c2ccncc2)CC1 ZINC000459481939 310555566 /nfs/dbraw/zinc/55/55/66/310555566.db2.gz NHVMSCVEHBINEJ-UHFFFAOYSA-N 1 3 328.435 3.045 10 0 EGAEHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000552062013 315194394 /nfs/dbraw/zinc/19/43/94/315194394.db2.gz IKLNNUFAJGMWNZ-PMACEKPBSA-N 1 3 343.515 3.036 10 0 EGAEHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941777 317131102 /nfs/dbraw/zinc/13/11/02/317131102.db2.gz KXLIHGOVCYNEAW-VQTJNVASSA-N 1 3 336.483 3.004 10 0 EGAEHO C[C@@H](CCc1ccco1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397519243 324295310 /nfs/dbraw/zinc/29/53/10/324295310.db2.gz USFHKYLENLCDHR-SFHVURJKSA-N 1 3 342.483 3.217 10 0 EGAEHO C[C@H](CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000580588974 325271516 /nfs/dbraw/zinc/27/15/16/325271516.db2.gz ZFUOEPFIVICZSD-GFOJFJKKSA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183680529 455320917 /nfs/dbraw/zinc/32/09/17/455320917.db2.gz RBLQVODHDWFVPA-MRXNPFEDSA-N 1 3 332.488 3.492 10 0 EGAEHO CN1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1(C)C ZINC000623510701 460588948 /nfs/dbraw/zinc/58/89/48/460588948.db2.gz HJYGGVMBROYOCK-QQFBHYJXSA-N 1 3 347.469 3.254 10 0 EGAEHO C[C@H](NCCOCCC[NH3+])c1cc2cc(Br)ccc2o1 ZINC000629537990 460799025 /nfs/dbraw/zinc/79/90/25/460799025.db2.gz LNNMDAZSKITWMY-NSHDSACASA-N 1 3 341.249 3.211 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969737 460599250 /nfs/dbraw/zinc/59/92/50/460599250.db2.gz XQIAYHLBANUFJO-LSDHHAIUSA-N 1 3 346.302 3.053 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076148999 453971304 /nfs/dbraw/zinc/97/13/04/453971304.db2.gz RFFPGVHNTJYSSO-QZTJIDSGSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@@H+]1C ZINC000123187605 454613352 /nfs/dbraw/zinc/61/33/52/454613352.db2.gz GZDHBRTYIICXEY-KGLIPLIRSA-N 1 3 334.489 3.145 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@H+]1C ZINC000123187605 454613354 /nfs/dbraw/zinc/61/33/54/454613354.db2.gz GZDHBRTYIICXEY-KGLIPLIRSA-N 1 3 334.489 3.145 10 0 EGAEHO CCC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC000162171826 454756563 /nfs/dbraw/zinc/75/65/63/454756563.db2.gz LAVVMBXEUYBFCH-VQIMIIECSA-N 1 3 331.504 3.059 10 0 EGAEHO CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000176971166 454805947 /nfs/dbraw/zinc/80/59/47/454805947.db2.gz GKNBSUHUJMPXND-FQEVSTJZSA-N 1 3 345.531 3.473 10 0 EGAEHO CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000176971166 454805950 /nfs/dbraw/zinc/80/59/50/454805950.db2.gz GKNBSUHUJMPXND-FQEVSTJZSA-N 1 3 345.531 3.473 10 0 EGAEHO C[C@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133196 454826702 /nfs/dbraw/zinc/82/67/02/454826702.db2.gz IUDFPGSLURNEHB-UWJYYQICSA-N 1 3 339.483 3.178 10 0 EGAEHO C[C@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133196 454826707 /nfs/dbraw/zinc/82/67/07/454826707.db2.gz IUDFPGSLURNEHB-UWJYYQICSA-N 1 3 339.483 3.178 10 0 EGAEHO C[C@@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133212 454826820 /nfs/dbraw/zinc/82/68/20/454826820.db2.gz IUDFPGSLURNEHB-UTKZUKDTSA-N 1 3 339.483 3.178 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133212 454826824 /nfs/dbraw/zinc/82/68/24/454826824.db2.gz IUDFPGSLURNEHB-UTKZUKDTSA-N 1 3 339.483 3.178 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000154495702 454902086 /nfs/dbraw/zinc/90/20/86/454902086.db2.gz DGXZQYVEHMHHPH-FQEVSTJZSA-N 1 3 345.531 3.216 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000245441180 455300411 /nfs/dbraw/zinc/30/04/11/455300411.db2.gz VFJQAULGJMGZJF-WMLDXEAASA-N 1 3 344.455 3.382 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000245441180 455300414 /nfs/dbraw/zinc/30/04/14/455300414.db2.gz VFJQAULGJMGZJF-WMLDXEAASA-N 1 3 344.455 3.382 10 0 EGAEHO CN(C[C@H](O)C1CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190613000 455353500 /nfs/dbraw/zinc/35/35/00/455353500.db2.gz FKXAEAJWXROPLE-FPOVZHCZSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@H](O)C1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000190613000 455353503 /nfs/dbraw/zinc/35/35/03/455353503.db2.gz FKXAEAJWXROPLE-FPOVZHCZSA-N 1 3 330.516 3.382 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000192845869 455706074 /nfs/dbraw/zinc/70/60/74/455706074.db2.gz ZQTBWXKQDQWBKE-MRXNPFEDSA-N 1 3 349.485 3.313 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000192845869 455706082 /nfs/dbraw/zinc/70/60/82/455706082.db2.gz ZQTBWXKQDQWBKE-MRXNPFEDSA-N 1 3 349.485 3.313 10 0 EGAEHO COc1ccccc1/C=C\CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000255580877 455869952 /nfs/dbraw/zinc/86/99/52/455869952.db2.gz XFQFEFZWGDBFEL-VURMDHGXSA-N 1 3 344.499 3.285 10 0 EGAEHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385843 455933723 /nfs/dbraw/zinc/93/37/23/455933723.db2.gz GAUWIUIIDBIQSR-GBKCLDHKSA-N 1 3 339.527 3.254 10 0 EGAEHO c1ccc(OC2CCCC2)c(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261995409 455982270 /nfs/dbraw/zinc/98/22/70/455982270.db2.gz TYMGOXYILOCDEC-VAMGGRTRSA-N 1 3 344.499 3.255 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254499 456194754 /nfs/dbraw/zinc/19/47/54/456194754.db2.gz GFCYRROOVVDISN-HJNYFJLDSA-N 1 3 339.527 3.210 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@H](N3CC[C@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254499 456194758 /nfs/dbraw/zinc/19/47/58/456194758.db2.gz GFCYRROOVVDISN-HJNYFJLDSA-N 1 3 339.527 3.210 10 0 EGAEHO CCc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)c2ccccc2n1 ZINC000301789317 456214992 /nfs/dbraw/zinc/21/49/92/456214992.db2.gz MMKUUSDGWBIFCJ-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO CCc1cc(N2CCC[N@H+](C3CCOCC3)CC2)c2ccccc2n1 ZINC000301789317 456214999 /nfs/dbraw/zinc/21/49/99/456214999.db2.gz MMKUUSDGWBIFCJ-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000290027047 456219449 /nfs/dbraw/zinc/21/94/49/456219449.db2.gz NBWLBRGHXDCCBE-FXAWDEMLSA-N 1 3 334.504 3.012 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000290027047 456219451 /nfs/dbraw/zinc/21/94/51/456219451.db2.gz NBWLBRGHXDCCBE-FXAWDEMLSA-N 1 3 334.504 3.012 10 0 EGAEHO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000352836774 456351232 /nfs/dbraw/zinc/35/12/32/456351232.db2.gz XNOJMAFLQGFCCQ-VQIMIIECSA-N 1 3 343.515 3.060 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000340465102 456475824 /nfs/dbraw/zinc/47/58/24/456475824.db2.gz QBOGMDLPYCRNDE-HXUWFJFHSA-N 1 3 341.503 3.223 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000353311375 456628367 /nfs/dbraw/zinc/62/83/67/456628367.db2.gz UVQCVJZMIOWXRO-FQEVSTJZSA-N 1 3 329.532 3.313 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000353311375 456628370 /nfs/dbraw/zinc/62/83/70/456628370.db2.gz UVQCVJZMIOWXRO-FQEVSTJZSA-N 1 3 329.532 3.313 10 0 EGAEHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000353401055 456676365 /nfs/dbraw/zinc/67/63/65/456676365.db2.gz HFUCRYSNPVNFFO-QLIIJSOBSA-N 1 3 343.515 3.177 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000353404316 456678014 /nfs/dbraw/zinc/67/80/14/456678014.db2.gz OHZQUHPSGICXBC-VNQPRFMTSA-N 1 3 336.863 3.074 10 0 EGAEHO CC[NH+]1CCC(CCNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354460500 457238669 /nfs/dbraw/zinc/23/86/69/457238669.db2.gz LRSCQMQFVXPVLI-UHFFFAOYSA-N 1 3 330.451 3.223 10 0 EGAEHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Br)c(F)c2)C1 ZINC000459743126 458465928 /nfs/dbraw/zinc/46/59/28/458465928.db2.gz WHGIFJKFQGJRBN-LBPRGKRZSA-N 1 3 329.257 3.410 10 0 EGAEHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Br)c(F)c2)C1 ZINC000459743126 458465929 /nfs/dbraw/zinc/46/59/29/458465929.db2.gz WHGIFJKFQGJRBN-LBPRGKRZSA-N 1 3 329.257 3.410 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110805 458495054 /nfs/dbraw/zinc/49/50/54/458495054.db2.gz ZZXOUMNMNWHODZ-ZCNNSNEGSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110805 458495057 /nfs/dbraw/zinc/49/50/57/458495057.db2.gz ZZXOUMNMNWHODZ-ZCNNSNEGSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCC[N@@H+](CC[C@H](C)N2CCC[C@H](COC)CC2)CC1 ZINC000452110805 458495061 /nfs/dbraw/zinc/49/50/61/458495061.db2.gz ZZXOUMNMNWHODZ-ZCNNSNEGSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCC[N@H+](CC[C@H](C)N2CCC[C@H](COC)CC2)CC1 ZINC000452110805 458495066 /nfs/dbraw/zinc/49/50/66/458495066.db2.gz ZZXOUMNMNWHODZ-ZCNNSNEGSA-N 1 3 340.552 3.262 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(CC)CC ZINC000469057035 458552902 /nfs/dbraw/zinc/55/29/02/458552902.db2.gz UUXAUBXRCXIAME-RTBURBONSA-N 1 3 337.552 3.221 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000470774233 458649086 /nfs/dbraw/zinc/64/90/86/458649086.db2.gz RPGQSYFIIOSIHE-WTNAPCKOSA-N 1 3 340.511 3.405 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000470774233 458649090 /nfs/dbraw/zinc/64/90/90/458649090.db2.gz RPGQSYFIIOSIHE-WTNAPCKOSA-N 1 3 340.511 3.405 10 0 EGAEHO C[N@H+](Cc1ccc2c(c1)CNCC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000518385460 458864116 /nfs/dbraw/zinc/86/41/16/458864116.db2.gz TVUBARJNHDZZPR-QFIPXVFZSA-N 1 3 335.495 3.433 10 0 EGAEHO C[N@@H+](Cc1ccc2c(c1)CNCC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000518385460 458864120 /nfs/dbraw/zinc/86/41/20/458864120.db2.gz TVUBARJNHDZZPR-QFIPXVFZSA-N 1 3 335.495 3.433 10 0 EGAEHO FC(F)(F)c1ccc([C@H]2CCCCN2CCN2CC[NH2+]CC2)cc1 ZINC000519156744 458920886 /nfs/dbraw/zinc/92/08/86/458920886.db2.gz KFXLBZXRRJEHCO-QGZVFWFLSA-N 1 3 341.421 3.138 10 0 EGAEHO COC(=O)c1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)o1 ZINC000594598918 459105317 /nfs/dbraw/zinc/10/53/17/459105317.db2.gz DCXNQUFKTJBLGC-GJZGRUSLSA-N 1 3 336.476 3.222 10 0 EGAEHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1cccc(N2CCOCC2)c1 ZINC000567604043 459132229 /nfs/dbraw/zinc/13/22/29/459132229.db2.gz WIIIEUOTUPGLSK-KRWDZBQOSA-N 1 3 331.504 3.226 10 0 EGAEHO CCC[C@@H](C)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412406 459155329 /nfs/dbraw/zinc/15/53/29/459155329.db2.gz YZMJIIREXJMILO-CTNGQTDRSA-N 1 3 329.532 3.315 10 0 EGAEHO CCC[C@@H](C)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000558412406 459155333 /nfs/dbraw/zinc/15/53/33/459155333.db2.gz YZMJIIREXJMILO-CTNGQTDRSA-N 1 3 329.532 3.315 10 0 EGAEHO CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851590 459178328 /nfs/dbraw/zinc/17/83/28/459178328.db2.gz QQQHLELCKINORJ-HXUWFJFHSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCC[C@@H]1C ZINC000480624218 459209258 /nfs/dbraw/zinc/20/92/58/459209258.db2.gz JGFMCLQPEAZPRN-DYXWJJEUSA-N 1 3 329.532 3.361 10 0 EGAEHO O[C@@H]1CCCC[C@@H]1CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000568050774 459215343 /nfs/dbraw/zinc/21/53/43/459215343.db2.gz DZORGOYLJYYXEM-KURKYZTESA-N 1 3 334.529 3.243 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000484481475 459414996 /nfs/dbraw/zinc/41/49/96/459414996.db2.gz VGYAZGOETIEMGJ-HNAYVOBHSA-N 1 3 340.458 3.234 10 0 EGAEHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000484481475 459415003 /nfs/dbraw/zinc/41/50/03/459415003.db2.gz VGYAZGOETIEMGJ-HNAYVOBHSA-N 1 3 340.458 3.234 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCN(C)C2)CC1 ZINC000569434401 459448872 /nfs/dbraw/zinc/44/88/72/459448872.db2.gz JXRGTZDPTKHMSZ-AZUAARDMSA-N 1 3 329.532 3.013 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCN(C)C2)CC1 ZINC000569434403 459449219 /nfs/dbraw/zinc/44/92/19/459449219.db2.gz JXRGTZDPTKHMSZ-QUCCMNQESA-N 1 3 329.532 3.013 10 0 EGAEHO COc1cncc(/C=C/CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000583021355 459468981 /nfs/dbraw/zinc/46/89/81/459468981.db2.gz GQHPIYYNATZABM-SXQCNTSWSA-N 1 3 329.488 3.301 10 0 EGAEHO COc1cncc(/C=C/CC[N@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000583021355 459468983 /nfs/dbraw/zinc/46/89/83/459468983.db2.gz GQHPIYYNATZABM-SXQCNTSWSA-N 1 3 329.488 3.301 10 0 EGAEHO C[C@H](CC(=O)OC(C)(C)C)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592404541 459596147 /nfs/dbraw/zinc/59/61/47/459596147.db2.gz ZRLIYVBGDVBUGH-NXHRZFHOSA-N 1 3 332.488 3.042 10 0 EGAEHO C[C@H](CC(=O)OC(C)(C)C)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592404541 459596151 /nfs/dbraw/zinc/59/61/51/459596151.db2.gz ZRLIYVBGDVBUGH-NXHRZFHOSA-N 1 3 332.488 3.042 10 0 EGAEHO CCOC(=O)C1([C@@H](C)N[C@@H](CC)c2ccccc2F)CC[NH2+]CC1 ZINC000593318221 459839688 /nfs/dbraw/zinc/83/96/88/459839688.db2.gz BPBXWGKZVWJQHJ-PBHICJAKSA-N 1 3 336.451 3.188 10 0 EGAEHO C[C@H](NCCC1(C[NH3+])CC1)c1ccccc1I ZINC000593318196 459839964 /nfs/dbraw/zinc/83/99/64/459839964.db2.gz AZHOPWJGCXXXRW-NSHDSACASA-N 1 3 344.240 3.071 10 0 EGAEHO COC(=O)C(C)(C)[C@@H]([NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000614911604 460244815 /nfs/dbraw/zinc/24/48/15/460244815.db2.gz XQSGROLPXMREJC-SFHVURJKSA-N 1 3 332.488 3.393 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000600124043 460392480 /nfs/dbraw/zinc/39/24/80/460392480.db2.gz NWWAYZAAJZCVIX-CALCHBBNSA-N 1 3 347.503 3.106 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000600124043 460392488 /nfs/dbraw/zinc/39/24/88/460392488.db2.gz NWWAYZAAJZCVIX-CALCHBBNSA-N 1 3 347.503 3.106 10 0 EGAEHO COc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1OC1CC1 ZINC000623363473 460511617 /nfs/dbraw/zinc/51/16/17/460511617.db2.gz WGJUSWJRWJXZHK-UHFFFAOYSA-N 1 3 330.472 3.200 10 0 EGAEHO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000606912578 460759854 /nfs/dbraw/zinc/75/98/54/460759854.db2.gz AZMSQHUUTQNQPO-UTKZUKDTSA-N 1 3 348.531 3.294 10 0 EGAEHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623932043 460785718 /nfs/dbraw/zinc/78/57/18/460785718.db2.gz WWBZKPKLKWTXQU-FQEVSTJZSA-N 1 3 344.547 3.109 10 0 EGAEHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623932043 460785722 /nfs/dbraw/zinc/78/57/22/460785722.db2.gz WWBZKPKLKWTXQU-FQEVSTJZSA-N 1 3 344.547 3.109 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCOCC2)c2cccc(Br)c21 ZINC000629519606 460792953 /nfs/dbraw/zinc/79/29/53/460792953.db2.gz BVULYQBBDGNMIM-BXUZGUMPSA-N 1 3 339.277 3.095 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000629529279 460798344 /nfs/dbraw/zinc/79/83/44/460798344.db2.gz XOMYYLUSBSKTCR-LBPRGKRZSA-N 1 3 337.464 3.144 10 0 EGAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624310829 460952919 /nfs/dbraw/zinc/95/29/19/460952919.db2.gz LGPAMNIJBMSNQD-WRTQPQOASA-N 1 3 328.500 3.302 10 0 EGAEHO CCN(Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254104 461143439 /nfs/dbraw/zinc/14/34/39/461143439.db2.gz ZVUDMDOULCGNKJ-CYBMUJFWSA-N 1 3 329.271 3.336 10 0 EGAEHO CC(C)([NH2+]C[C@@H]1CCC2(CNC2)O1)c1ccc(Cl)c(Cl)c1 ZINC000662259029 461147250 /nfs/dbraw/zinc/14/72/50/461147250.db2.gz OLTFGCPSEHISIP-LBPRGKRZSA-N 1 3 329.271 3.339 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000633889955 461316594 /nfs/dbraw/zinc/31/65/94/461316594.db2.gz WWXXMAUSSQQHAP-HXUWFJFHSA-N 1 3 345.531 3.279 10 0 EGAEHO C[C@H]1CN(Cc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660154142 461609524 /nfs/dbraw/zinc/60/95/24/461609524.db2.gz JGBDLQBAUNVOJA-RXVVDRJESA-N 1 3 343.559 3.442 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800433 461843496 /nfs/dbraw/zinc/84/34/96/461843496.db2.gz BAFLQUFBFDALMM-CZUORRHYSA-N 1 3 343.496 3.443 10 0 EGAEHO Fc1ccccc1-c1n[nH]cc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785552 461896336 /nfs/dbraw/zinc/89/63/36/461896336.db2.gz LXCJGSPMZDYWTL-INIZCTEOSA-N 1 3 342.462 3.427 10 0 EGAEHO CCc1ccccc1NC(=O)C[C@H](C)NCc1ccccc1C[NH2+]C ZINC000650719190 461911369 /nfs/dbraw/zinc/91/13/69/461911369.db2.gz HEISDPDZZMCARC-INIZCTEOSA-N 1 3 339.483 3.475 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(OCC3CC3)cc2)C1 ZINC000650723482 461914788 /nfs/dbraw/zinc/91/47/88/461914788.db2.gz OXWLDUGRKJIQPR-HLAWJBBLSA-N 1 3 344.499 3.336 10 0 EGAEHO COc1ccc(Br)cc1C1(NCC[C@H]2CC[NH2+]C2)CC1 ZINC000647995236 461928530 /nfs/dbraw/zinc/92/85/30/461928530.db2.gz IMDCDLKABMDLKF-GFCCVEGCSA-N 1 3 339.277 3.036 10 0 EGAEHO Cc1c([C@H](C)NCCC2(C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000650744643 461929391 /nfs/dbraw/zinc/92/93/91/461929391.db2.gz SGRJDIRDNNBMLG-LBPRGKRZSA-N 1 3 333.867 3.009 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000650760058 461940626 /nfs/dbraw/zinc/94/06/26/461940626.db2.gz WEFLTQWKOAOTCU-CQSZACIVSA-N 1 3 344.455 3.283 10 0 EGAEHO C[C@H]1CCC[N@H+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657311478 462035984 /nfs/dbraw/zinc/03/59/84/462035984.db2.gz KXALPDOOHOLVAY-ZDUSSCGKSA-N 1 3 332.414 3.041 10 0 EGAEHO C[C@H]1CCC[N@@H+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657311478 462035988 /nfs/dbraw/zinc/03/59/88/462035988.db2.gz KXALPDOOHOLVAY-ZDUSSCGKSA-N 1 3 332.414 3.041 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336709 462056601 /nfs/dbraw/zinc/05/66/01/462056601.db2.gz YMIRTZMJFYJOSD-RBUKOAKNSA-N 1 3 332.488 3.064 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c2sccc21 ZINC000651228251 462145175 /nfs/dbraw/zinc/14/51/75/462145175.db2.gz DOVRMVFTMDJQIR-VKJFTORMSA-N 1 3 333.545 3.445 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CCc3ccccc3C(C)(C)C2)CC1 ZINC000661212469 462153948 /nfs/dbraw/zinc/15/39/48/462153948.db2.gz DATSCSJYGDJKEN-UHFFFAOYSA-N 1 3 343.559 3.238 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CCc3ccccc3C(C)(C)C2)CC1 ZINC000661212469 462153953 /nfs/dbraw/zinc/15/39/53/462153953.db2.gz DATSCSJYGDJKEN-UHFFFAOYSA-N 1 3 343.559 3.238 10 0 EGAEHO c1nc(C2CC2)c(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537791 462171972 /nfs/dbraw/zinc/17/19/72/462171972.db2.gz SPEKZAHKEXXWEY-UHFFFAOYSA-N 1 3 335.517 3.001 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681886 462210920 /nfs/dbraw/zinc/21/09/20/462210920.db2.gz UNUSIPGXSAUPPI-LJQANCHMSA-N 1 3 329.488 3.409 10 0 EGAEHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651753572 462325779 /nfs/dbraw/zinc/32/57/79/462325779.db2.gz WESSISOARNYRDB-MRXNPFEDSA-N 1 3 339.886 3.082 10 0 EGAEHO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000651752582 462325903 /nfs/dbraw/zinc/32/59/03/462325903.db2.gz LQFBKLGQUVXRLS-UYAOXDASSA-N 1 3 331.504 3.036 10 0 EGAEHO CC(C)n1cc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000658068488 462366508 /nfs/dbraw/zinc/36/65/08/462366508.db2.gz WXKVLBUKJITWGH-INIZCTEOSA-N 1 3 334.508 3.006 10 0 EGAEHO CO[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000658071951 462368595 /nfs/dbraw/zinc/36/85/95/462368595.db2.gz LBMKQRKXUSGCRU-AEFFLSMTSA-N 1 3 340.552 3.307 10 0 EGAEHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000665255690 462372407 /nfs/dbraw/zinc/37/24/07/462372407.db2.gz ZLPSEPIXEZBKSX-LMCOJAPRSA-N 1 3 332.488 3.078 10 0 EGAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265578 462376786 /nfs/dbraw/zinc/37/67/86/462376786.db2.gz YPWWNTNXPBCQIS-HOCLYGCPSA-N 1 3 337.305 3.489 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142190 462404530 /nfs/dbraw/zinc/40/45/30/462404530.db2.gz VDCDQPPRVIWVFR-FPOVZHCZSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142190 462404534 /nfs/dbraw/zinc/40/45/34/462404534.db2.gz VDCDQPPRVIWVFR-FPOVZHCZSA-N 1 3 340.442 3.169 10 0 EGAEHO FC1(F)C[C@@H]1OCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168631 462416359 /nfs/dbraw/zinc/41/63/59/462416359.db2.gz IPUUIELSWNNOCW-FBVQUNGASA-N 1 3 336.426 3.196 10 0 EGAEHO FC1(F)C[C@@H]1OCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658168631 462416366 /nfs/dbraw/zinc/41/63/66/462416366.db2.gz IPUUIELSWNNOCW-FBVQUNGASA-N 1 3 336.426 3.196 10 0 EGAEHO FC1(F)C[C@@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168634 462416989 /nfs/dbraw/zinc/41/69/89/462416989.db2.gz IPUUIELSWNNOCW-MHORFTMASA-N 1 3 336.426 3.196 10 0 EGAEHO FC1(F)C[C@@H]1OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658168634 462416994 /nfs/dbraw/zinc/41/69/94/462416994.db2.gz IPUUIELSWNNOCW-MHORFTMASA-N 1 3 336.426 3.196 10 0 EGAEHO Cc1cncc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000658262362 462446655 /nfs/dbraw/zinc/44/66/55/462446655.db2.gz QZSPUFSOXINHPG-MZADTFQBSA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1cncc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000658262362 462446656 /nfs/dbraw/zinc/44/66/56/462446656.db2.gz QZSPUFSOXINHPG-MZADTFQBSA-N 1 3 336.483 3.113 10 0 EGAEHO OC1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000658284232 462455833 /nfs/dbraw/zinc/45/58/33/462455833.db2.gz GCJODBYXYQEISL-HODLZWQNSA-N 1 3 342.527 3.428 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166384151 546987887 /nfs/dbraw/zinc/98/78/87/546987887.db2.gz NZPPWCQKUNNNSY-NJDAHSKKSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166384151 546987893 /nfs/dbraw/zinc/98/78/93/546987893.db2.gz NZPPWCQKUNNNSY-NJDAHSKKSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3cnccc32)C[C@@H](C)O1 ZINC000181505921 547068763 /nfs/dbraw/zinc/06/87/63/547068763.db2.gz DJJSBLZENQRTRD-IAGOWNOFSA-N 1 3 327.472 3.214 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542560 547824201 /nfs/dbraw/zinc/82/42/01/547824201.db2.gz RMXMIUOQRVMBNL-NYVOZVTQSA-N 1 3 339.527 3.113 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000671744380 548351549 /nfs/dbraw/zinc/35/15/49/548351549.db2.gz BGRUSAHBBNQZLR-LNRXMEIDSA-N 1 3 341.543 3.361 10 0 EGAEHO Cn1cc([C@@H](NCc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C)cn1 ZINC000673931633 548656029 /nfs/dbraw/zinc/65/60/29/548656029.db2.gz JZJPSGIRFGPKNG-LJQANCHMSA-N 1 3 344.503 3.238 10 0 EGAEHO CO[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1C ZINC000682245883 550086108 /nfs/dbraw/zinc/08/61/08/550086108.db2.gz VMZRLYLXISKIIV-FXAWDEMLSA-N 1 3 332.488 3.018 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000684374220 550321172 /nfs/dbraw/zinc/32/11/72/550321172.db2.gz KYQOOKSSMJZPLS-CTNGQTDRSA-N 1 3 346.515 3.454 10 0 EGAEHO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169782601 1294372970 /nfs/dbraw/zinc/37/29/70/1294372970.db2.gz NKUAPKFOIWTOKY-KRWDZBQOSA-N 1 3 332.488 3.301 10 0 EGAEHO COC[C@@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169782601 1294372972 /nfs/dbraw/zinc/37/29/72/1294372972.db2.gz NKUAPKFOIWTOKY-KRWDZBQOSA-N 1 3 332.488 3.301 10 0 EGAEHO C[C@@H](NC(=O)[C@H](C)N(C)CCCCCC[NH3+])c1cc2ccccc2o1 ZINC000872155685 1296772109 /nfs/dbraw/zinc/77/21/09/1296772109.db2.gz YLQSZLGTVCWDEY-CVEARBPZSA-N 1 3 345.487 3.449 10 0 EGAEHO c1ccc(CN2CC[C@H](C[NH2+][C@H]3CCN(Cc4ccccc4)C3)C2)cc1 ZINC000380927632 1297547950 /nfs/dbraw/zinc/54/79/50/1297547950.db2.gz DEPIGJROEQPGTA-PKTZIBPZSA-N 1 3 349.522 3.373 10 0 EGAEHO CN1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000390665028 1297632058 /nfs/dbraw/zinc/63/20/58/1297632058.db2.gz QTSHVFGNRJLPMD-UXHICEINSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000925780791 1325298721 /nfs/dbraw/zinc/29/87/21/1325298721.db2.gz GVBFLNZTSVQCCM-WCBMZHEXSA-N 1 3 338.229 3.471 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(Br)c1 ZINC000925781280 1325299268 /nfs/dbraw/zinc/29/92/68/1325299268.db2.gz XXGJJIOVLNYQGF-CMPLNLGQSA-N 1 3 333.220 3.345 10 0 EGAEHO C[C@@H]1COCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886609556 1303522124 /nfs/dbraw/zinc/52/21/24/1303522124.db2.gz WKIKRHUXDIWEEZ-GVVDHYSOSA-N 1 3 328.500 3.302 10 0 EGAEHO C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886609558 1303522199 /nfs/dbraw/zinc/52/21/99/1303522199.db2.gz WKIKRHUXDIWEEZ-RQSWOZRGSA-N 1 3 328.500 3.302 10 0 EGAEHO Cc1cnc(Cl)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000921759781 1322393844 /nfs/dbraw/zinc/39/38/44/1322393844.db2.gz NGKPPHVASXUSKV-GJZGRUSLSA-N 1 3 325.884 3.022 10 0 EGAEHO COC(=O)c1sc2ccccc2c1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500549 1322762484 /nfs/dbraw/zinc/76/24/84/1322762484.db2.gz VUWVYYFWGKVMNC-QWHCGFSZSA-N 1 3 332.469 3.105 10 0 EGAEHO C[C@H]1CC2(CC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)C2)CO1 ZINC000924938312 1323220580 /nfs/dbraw/zinc/22/05/80/1323220580.db2.gz JRFPQYXZWOLJFT-GUSVMJMASA-N 1 3 328.500 3.098 10 0 EGAEHO CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000924938629 1323221616 /nfs/dbraw/zinc/22/16/16/1323221616.db2.gz NBGZANQWKUVQFR-QHAWAJNXSA-N 1 3 330.516 3.202 10 0 EGAEHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924940210 1323222858 /nfs/dbraw/zinc/22/28/58/1323222858.db2.gz ZQKMRKFBLNROCI-SIKLNZKXSA-N 1 3 342.527 3.346 10 0 EGAEHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480431 1325168930 /nfs/dbraw/zinc/16/89/30/1325168930.db2.gz KINDXLFPZNMANY-NUEKZKHPSA-N 1 3 331.460 3.200 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000925530386 1325193893 /nfs/dbraw/zinc/19/38/93/1325193893.db2.gz KFEZQUXRPACGAC-PMPSAXMXSA-N 1 3 347.469 3.017 10 0 EGAEHO c1cc2c(cc1CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)OCCO2 ZINC000925581635 1325219620 /nfs/dbraw/zinc/21/96/20/1325219620.db2.gz UDPYVNKROOBIQW-RBUKOAKNSA-N 1 3 344.499 3.148 10 0 EGAEHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC000925703629 1325265894 /nfs/dbraw/zinc/26/58/94/1325265894.db2.gz DJTFDJQKYCRDFK-VXXGZENSSA-N 1 3 346.490 3.314 10 0 EGAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725700 1325270235 /nfs/dbraw/zinc/27/02/35/1325270235.db2.gz NCBBRPASHRLAFV-BVEJCMGZSA-N 1 3 347.300 3.206 10 0 EGAEHO [NH3+][C@@H]1C[C@H](NCC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728968 1325273748 /nfs/dbraw/zinc/27/37/48/1325273748.db2.gz GLIHKEQIMWPCTJ-CABCVRRESA-N 1 3 335.289 3.340 10 0 EGAEHO Cc1ccc(C[C@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793490 1325303569 /nfs/dbraw/zinc/30/35/69/1325303569.db2.gz DFQABLXANGMXOX-PMACEKPBSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1ccc(C[C@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793494 1325304182 /nfs/dbraw/zinc/30/41/82/1325304182.db2.gz DFQABLXANGMXOX-UXHICEINSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1c([C@@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC000925797420 1325305491 /nfs/dbraw/zinc/30/54/91/1325305491.db2.gz HFLZMAUTWNXHMA-UMVBOHGHSA-N 1 3 347.894 3.125 10 0 EGAEHO c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925880995 1325340525 /nfs/dbraw/zinc/34/05/25/1325340525.db2.gz PFGSRJUWJUTKQG-QHAWAJNXSA-N 1 3 328.500 3.448 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@@H](C)N2CCCCC2)n(C)n1 ZINC000926141720 1325445539 /nfs/dbraw/zinc/44/55/39/1325445539.db2.gz INQAMIAIJILFCE-HBFSDRIKSA-N 1 3 332.536 3.294 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)ccn1 ZINC000926694203 1327670343 /nfs/dbraw/zinc/67/03/43/1327670343.db2.gz REIFLZLJABJCDL-NHCUHLMSSA-N 1 3 343.515 3.088 10 0 EGAEHO c1ccc(CN2CCCC[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000865803978 1329740043 /nfs/dbraw/zinc/74/00/43/1329740043.db2.gz NZPPWCQKUNNNSY-HBMCJLEFSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCCC[C@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865803978 1329740045 /nfs/dbraw/zinc/74/00/45/1329740045.db2.gz NZPPWCQKUNNNSY-HBMCJLEFSA-N 1 3 327.516 3.258 10 0 EGAEHO C([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1CCN1C1CCCCCC1 ZINC000866562454 1330126923 /nfs/dbraw/zinc/12/69/23/1330126923.db2.gz SFMFJPVDXVRTTM-SFTDATJTSA-N 1 3 349.563 3.017 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001323145456 1387302106 /nfs/dbraw/zinc/30/21/06/1387302106.db2.gz ZBVXKKWPMVQECD-FAPWYTRCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001323358266 1387350905 /nfs/dbraw/zinc/35/09/05/1387350905.db2.gz RWKBVDAYHMYIAJ-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358266 1387350909 /nfs/dbraw/zinc/35/09/09/1387350909.db2.gz RWKBVDAYHMYIAJ-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358266 1387350916 /nfs/dbraw/zinc/35/09/16/1387350916.db2.gz RWKBVDAYHMYIAJ-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001323542280 1387384451 /nfs/dbraw/zinc/38/44/51/1387384451.db2.gz OPSJMQWLLYGDDP-QGZVFWFLSA-N 1 3 345.531 3.272 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001323542278 1387384503 /nfs/dbraw/zinc/38/45/03/1387384503.db2.gz OPSJMQWLLYGDDP-KRWDZBQOSA-N 1 3 345.531 3.272 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001323566230 1387390780 /nfs/dbraw/zinc/39/07/80/1387390780.db2.gz GGZNAHGGGOSZCS-GOSISDBHSA-N 1 3 335.536 3.068 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859477 1387479017 /nfs/dbraw/zinc/47/90/17/1387479017.db2.gz WYIHKHGQJFTTDX-QEVIJRNUSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859477 1387479022 /nfs/dbraw/zinc/47/90/22/1387479022.db2.gz WYIHKHGQJFTTDX-QEVIJRNUSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860702 1387481518 /nfs/dbraw/zinc/48/15/18/1387481518.db2.gz UKFRUWGVJHTXLM-AUGFPLSNSA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860702 1387481521 /nfs/dbraw/zinc/48/15/21/1387481521.db2.gz UKFRUWGVJHTXLM-AUGFPLSNSA-N 1 3 349.563 3.243 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001324097978 1387541164 /nfs/dbraw/zinc/54/11/64/1387541164.db2.gz OCKGNVPXJBMZKY-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC1(CC)CNC(=O)[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001198104831 1368960724 /nfs/dbraw/zinc/96/07/24/1368960724.db2.gz SPYYEWYVIJQVRF-LJQANCHMSA-N 1 3 343.515 3.067 10 0 EGAEHO CCC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)N1CCCCC1 ZINC001325691068 1388031043 /nfs/dbraw/zinc/03/10/43/1388031043.db2.gz ZGTRKKZZCUIURS-UHFFFAOYSA-N 1 3 345.531 3.279 10 0 EGAEHO CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)CC=C(C)C)N(C)C ZINC001326495376 1388218650 /nfs/dbraw/zinc/21/86/50/1388218650.db2.gz SSNPHCHVDUGACB-LJQANCHMSA-N 1 3 331.504 3.041 10 0 EGAEHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)CC=C(C)C)N(C)C ZINC001326495376 1388218653 /nfs/dbraw/zinc/21/86/53/1388218653.db2.gz SSNPHCHVDUGACB-LJQANCHMSA-N 1 3 331.504 3.041 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001326566087 1388241574 /nfs/dbraw/zinc/24/15/74/1388241574.db2.gz FGMFIZRQZFMDKJ-WAAHFUDESA-N 1 3 337.552 3.170 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129053 1388392945 /nfs/dbraw/zinc/39/29/45/1388392945.db2.gz FLLZXNUJZJTHQT-MJRGOJFPSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129053 1388392949 /nfs/dbraw/zinc/39/29/49/1388392949.db2.gz FLLZXNUJZJTHQT-MJRGOJFPSA-N 1 3 335.536 3.188 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001266023422 1377177265 /nfs/dbraw/zinc/17/72/65/1377177265.db2.gz LJSDNSXRVTXJCQ-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001267510227 1377449319 /nfs/dbraw/zinc/44/93/19/1377449319.db2.gz HKLLZRAFZGROGQ-LJQANCHMSA-N 1 3 337.552 3.432 10 0 EGAEHO CC(C)=CC[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001267510227 1377449322 /nfs/dbraw/zinc/44/93/22/1377449322.db2.gz HKLLZRAFZGROGQ-LJQANCHMSA-N 1 3 337.552 3.432 10 0 EGAEHO CCN(CC[NH2+]CC1CCCCCC1)C(=O)CN(C)CC(C)(C)C ZINC001273609722 1378106657 /nfs/dbraw/zinc/10/66/57/1378106657.db2.gz DIWMFMVPLUYQOL-UHFFFAOYSA-N 1 3 339.568 3.373 10 0 EGAEHO CCC1([NH2+]CC2CCCCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001327492501 1388535100 /nfs/dbraw/zinc/53/51/00/1388535100.db2.gz KKCXDVLZYHZRGE-UHFFFAOYSA-N 1 3 335.536 3.023 10 0 EGAEHO C[C@H](CCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001283186347 1378755733 /nfs/dbraw/zinc/75/57/33/1378755733.db2.gz OAOWAVXQDXCQGE-CVEARBPZSA-N 1 3 349.494 3.246 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001283939498 1379289003 /nfs/dbraw/zinc/28/90/03/1379289003.db2.gz MNJPWPXQSDJKSD-APWZRJJASA-N 1 3 349.494 3.081 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001284331880 1379727627 /nfs/dbraw/zinc/72/76/27/1379727627.db2.gz LCGZSXPBRBDSFX-JNVNVXKGSA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084584 1388666698 /nfs/dbraw/zinc/66/66/98/1388666698.db2.gz YZTKTUSRXNWYPE-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084584 1388666701 /nfs/dbraw/zinc/66/67/01/1388666701.db2.gz YZTKTUSRXNWYPE-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001298800680 1383430305 /nfs/dbraw/zinc/43/03/05/1383430305.db2.gz UCTNJPCBYFBKPG-HNNXBMFYSA-N 1 3 330.476 3.141 10 0 EGAEHO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001298800680 1383430308 /nfs/dbraw/zinc/43/03/08/1383430308.db2.gz UCTNJPCBYFBKPG-HNNXBMFYSA-N 1 3 330.476 3.141 10 0 EGAEHO COc1ccc(COCC[N@@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)cc1 ZINC001308169410 1384104564 /nfs/dbraw/zinc/10/45/64/1384104564.db2.gz BRNHVRUHHNUOCU-OYRHEFFESA-N 1 3 344.499 3.020 10 0 EGAEHO COc1ccc(COCC[N@H+]2C[C@@]34CN(C)C[C@]3(C2)CCCC4)cc1 ZINC001308169410 1384104566 /nfs/dbraw/zinc/10/45/66/1384104566.db2.gz BRNHVRUHHNUOCU-OYRHEFFESA-N 1 3 344.499 3.020 10 0 EGAEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC001328915674 1388901792 /nfs/dbraw/zinc/90/17/92/1388901792.db2.gz PICJCLBYATUCFA-UUKMXZOPSA-N 1 3 345.531 3.135 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001316624833 1384490283 /nfs/dbraw/zinc/49/02/83/1384490283.db2.gz OSXGSQMYLHITJZ-HCXYKTFWSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001316630344 1384494035 /nfs/dbraw/zinc/49/40/35/1384494035.db2.gz IZNYPQXEDMWUQN-UFYCRDLUSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C)N(C)C ZINC001316806331 1384598204 /nfs/dbraw/zinc/59/82/04/1384598204.db2.gz FXSJAJHJLJAOCI-IRXDYDNUSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCC(C)(C)C)N(C)C ZINC001316806331 1384598205 /nfs/dbraw/zinc/59/82/05/1384598205.db2.gz FXSJAJHJLJAOCI-IRXDYDNUSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001317046145 1384821044 /nfs/dbraw/zinc/82/10/44/1384821044.db2.gz XMAPQDJFSZGCRB-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317046145 1384821048 /nfs/dbraw/zinc/82/10/48/1384821048.db2.gz XMAPQDJFSZGCRB-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099919 1384863241 /nfs/dbraw/zinc/86/32/41/1384863241.db2.gz LEXYIKIXMDKYSI-OYQYDDJWSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099919 1384863249 /nfs/dbraw/zinc/86/32/49/1384863249.db2.gz LEXYIKIXMDKYSI-OYQYDDJWSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001329057933 1388949180 /nfs/dbraw/zinc/94/91/80/1388949180.db2.gz XOTXAZVDYJKRFA-MSOLQXFVSA-N 1 3 345.531 3.079 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21)CC(C)(C)C ZINC001317105977 1384869330 /nfs/dbraw/zinc/86/93/30/1384869330.db2.gz PKCRICVMHYECBB-RBUKOAKNSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21)CC(C)(C)C ZINC001317105977 1384869337 /nfs/dbraw/zinc/86/93/37/1384869337.db2.gz PKCRICVMHYECBB-RBUKOAKNSA-N 1 3 349.563 3.077 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1)N(C)C ZINC001317124124 1384882435 /nfs/dbraw/zinc/88/24/35/1384882435.db2.gz AGTDKVMOHJFTFM-KCUHQSDYSA-N 1 3 345.531 3.448 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001317173831 1384943220 /nfs/dbraw/zinc/94/32/20/1384943220.db2.gz QQVNPDWHLVKYPI-CQQBRXBZSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001317173831 1384943222 /nfs/dbraw/zinc/94/32/22/1384943222.db2.gz QQVNPDWHLVKYPI-CQQBRXBZSA-N 1 3 335.536 3.188 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C)CC(C)(C)C ZINC001317191341 1384965138 /nfs/dbraw/zinc/96/51/38/1384965138.db2.gz DLAJSOBUUYSKOK-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001317409332 1385120717 /nfs/dbraw/zinc/12/07/17/1385120717.db2.gz UFTBIFCWTNHAAK-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)(C)C)N(C)C ZINC001317437703 1385140258 /nfs/dbraw/zinc/14/02/58/1385140258.db2.gz WTNFMFVKDKGGAS-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1CCC(C)(C)C)N(C)C ZINC001317437703 1385140260 /nfs/dbraw/zinc/14/02/60/1385140260.db2.gz WTNFMFVKDKGGAS-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524101 1385244105 /nfs/dbraw/zinc/24/41/05/1385244105.db2.gz YCKMOLYLICWPAP-LXORQPIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001317524101 1385244110 /nfs/dbraw/zinc/24/41/10/1385244110.db2.gz YCKMOLYLICWPAP-LXORQPIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001317686953 1385398318 /nfs/dbraw/zinc/39/83/18/1385398318.db2.gz VSFATRYGXBCYRS-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001317686953 1385398321 /nfs/dbraw/zinc/39/83/21/1385398321.db2.gz VSFATRYGXBCYRS-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812280 1385512407 /nfs/dbraw/zinc/51/24/07/1385512407.db2.gz XDKUWPSMLSKUPQ-QZTJIDSGSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812280 1385512408 /nfs/dbraw/zinc/51/24/08/1385512408.db2.gz XDKUWPSMLSKUPQ-QZTJIDSGSA-N 1 3 345.531 3.236 10 0 EGAEHO CCC/C=C\CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317975595 1385595256 /nfs/dbraw/zinc/59/52/56/1385595256.db2.gz PGFQIVWDUYUCDB-SLVIYJBESA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317975595 1385595259 /nfs/dbraw/zinc/59/52/59/1385595259.db2.gz PGFQIVWDUYUCDB-SLVIYJBESA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686711 1385839852 /nfs/dbraw/zinc/83/98/52/1385839852.db2.gz REQATFQTIRVXKC-FPOVZHCZSA-N 1 3 347.547 3.234 10 0 EGAEHO CC(C)c1noc(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001319767361 1386287146 /nfs/dbraw/zinc/28/71/46/1386287146.db2.gz MIKFQPYQCCHTBT-WMZOPIPTSA-N 1 3 342.487 3.236 10 0 EGAEHO CC(C)c1noc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001319767361 1386287147 /nfs/dbraw/zinc/28/71/47/1386287147.db2.gz MIKFQPYQCCHTBT-WMZOPIPTSA-N 1 3 342.487 3.236 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775278 1386291438 /nfs/dbraw/zinc/29/14/38/1386291438.db2.gz SYUZWVCAEOMNBY-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948586 1386411869 /nfs/dbraw/zinc/41/18/69/1386411869.db2.gz YGDFYKISAVFFMN-QZTJIDSGSA-N 1 3 339.568 3.416 10 0 EGAEHO CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001320929236 1386762148 /nfs/dbraw/zinc/76/21/48/1386762148.db2.gz RBDZILJDMAISCQ-YPNIWSFNSA-N 1 3 343.515 3.012 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001322183257 1387093336 /nfs/dbraw/zinc/09/33/36/1387093336.db2.gz OIHLMIQNUMRUSU-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001322183257 1387093339 /nfs/dbraw/zinc/09/33/39/1387093339.db2.gz OIHLMIQNUMRUSU-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001322281523 1387137993 /nfs/dbraw/zinc/13/79/93/1387137993.db2.gz PWAFHVDNHVBRAC-IEBWSBKVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001322281523 1387137995 /nfs/dbraw/zinc/13/79/95/1387137995.db2.gz PWAFHVDNHVBRAC-IEBWSBKVSA-N 1 3 345.531 3.088 10 0 EGAEHO CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCCN2CC)c1 ZINC001322307698 1387153048 /nfs/dbraw/zinc/15/30/48/1387153048.db2.gz RQXCRMIIDXJPCX-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCCCN2CC)c1 ZINC001322307698 1387153049 /nfs/dbraw/zinc/15/30/49/1387153049.db2.gz RQXCRMIIDXJPCX-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322346621 1387165690 /nfs/dbraw/zinc/16/56/90/1387165690.db2.gz PFAIHLOMYWCXAT-OBNUAKFSSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1ccc(C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001322693321 1387226221 /nfs/dbraw/zinc/22/62/21/1387226221.db2.gz FMNPANSWJPLKMA-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO CC(C)CCC[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001322694683 1387226758 /nfs/dbraw/zinc/22/67/58/1387226758.db2.gz SGULLWBAQFHLTC-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CCC(CC)C[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001329256644 1389038209 /nfs/dbraw/zinc/03/82/09/1389038209.db2.gz IZJGAKMZOSFWSY-UHFFFAOYSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001698712496 1406354788 /nfs/dbraw/zinc/35/47/88/1406354788.db2.gz WEFGXCFAXZZNTA-FHWLQOOXSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001331470861 1389761955 /nfs/dbraw/zinc/76/19/55/1389761955.db2.gz SYYMCRHNSVSWMH-SFHVURJKSA-N 1 3 345.531 3.033 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001331559029 1389798546 /nfs/dbraw/zinc/79/85/46/1389798546.db2.gz CTWRDVHSIRLTQV-LPHOPBHVSA-N 1 3 343.531 3.072 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644641 1389843488 /nfs/dbraw/zinc/84/34/88/1389843488.db2.gz PYTJYIITYUROLQ-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC001332031171 1389952673 /nfs/dbraw/zinc/95/26/73/1389952673.db2.gz JNOZCUHVMONLFE-ICSRJNTNSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001332263955 1390068934 /nfs/dbraw/zinc/06/89/34/1390068934.db2.gz WAJXPZUVFKZQDL-QZTJIDSGSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)(C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1)N1CCCC1 ZINC001332405575 1390107869 /nfs/dbraw/zinc/10/78/69/1390107869.db2.gz ULCKTHIWPIQNBX-SFHVURJKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001479501841 1392258673 /nfs/dbraw/zinc/25/86/73/1392258673.db2.gz FKZLLADBUGLDFP-GOSISDBHSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001479688643 1392320772 /nfs/dbraw/zinc/32/07/72/1392320772.db2.gz TVDFLRSDHHPRBV-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001479778120 1392383035 /nfs/dbraw/zinc/38/30/35/1392383035.db2.gz MMGHVOZGLKUGDH-LJQANCHMSA-N 1 3 347.547 3.262 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001479778120 1392383038 /nfs/dbraw/zinc/38/30/38/1392383038.db2.gz MMGHVOZGLKUGDH-LJQANCHMSA-N 1 3 347.547 3.262 10 0 EGAEHO CCCC[NH+]1CCC(N(CCC)C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001479996605 1392529022 /nfs/dbraw/zinc/52/90/22/1392529022.db2.gz OJBXEKMAOUWYQK-HDICACEKSA-N 1 3 337.552 3.362 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295918 1392664016 /nfs/dbraw/zinc/66/40/16/1392664016.db2.gz MMLMJOSSWWVXFH-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001480361656 1392706242 /nfs/dbraw/zinc/70/62/42/1392706242.db2.gz SEMPUKDXLLLVQG-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001480412502 1392747507 /nfs/dbraw/zinc/74/75/07/1392747507.db2.gz IYBPZDMRMQZXHF-LMDPOFIKSA-N 1 3 345.531 3.413 10 0 EGAEHO CC[C@@H]([NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccc(F)cc1 ZINC001480515598 1392775880 /nfs/dbraw/zinc/77/58/80/1392775880.db2.gz HYEIKILPWDNBRE-CRAIPNDOSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480703109 1392866455 /nfs/dbraw/zinc/86/64/55/1392866455.db2.gz WDMCWUHYEQNZKU-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742602 1392908269 /nfs/dbraw/zinc/90/82/69/1392908269.db2.gz OIMFPZUTFYFFHA-MOPGFXCFSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742602 1392908274 /nfs/dbraw/zinc/90/82/74/1392908274.db2.gz OIMFPZUTFYFFHA-MOPGFXCFSA-N 1 3 345.531 3.319 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)N1CCCCC1 ZINC001481039276 1393103676 /nfs/dbraw/zinc/10/36/76/1393103676.db2.gz LBRWQDIUSNGXOQ-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1)N1CCCCC1 ZINC001481039276 1393103677 /nfs/dbraw/zinc/10/36/77/1393103677.db2.gz LBRWQDIUSNGXOQ-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001491081161 1394421781 /nfs/dbraw/zinc/42/17/81/1394421781.db2.gz YLVTZLFEAMPOCU-AHRSYUTCSA-N 1 3 345.531 3.281 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)N(CC)CC ZINC001481678675 1394444542 /nfs/dbraw/zinc/44/45/42/1394444542.db2.gz VVGPKGMRDHCWSM-UFYCRDLUSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)N(CC)CC ZINC001481678675 1394444543 /nfs/dbraw/zinc/44/45/43/1394444543.db2.gz VVGPKGMRDHCWSM-UFYCRDLUSA-N 1 3 349.563 3.362 10 0 EGAEHO CCC/C=C\CCN1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709918 1394468798 /nfs/dbraw/zinc/46/87/98/1394468798.db2.gz XMZZIQCQZPBNLP-PWBPZBFBSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740939 1394487262 /nfs/dbraw/zinc/48/72/62/1394487262.db2.gz GMVKTAWYCPJUBQ-WOJBJXKFSA-N 1 3 345.531 3.148 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854081 1394560342 /nfs/dbraw/zinc/56/03/42/1394560342.db2.gz ASFCBURWKASUDQ-UXHICEINSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482411774 1394976722 /nfs/dbraw/zinc/97/67/22/1394976722.db2.gz AMSIZANPMGTMFD-LJQANCHMSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001483945833 1395156201 /nfs/dbraw/zinc/15/62/01/1395156201.db2.gz JCGBKEDHTYRCBX-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001484173174 1395317069 /nfs/dbraw/zinc/31/70/69/1395317069.db2.gz CLGKPGASBIQPJR-HXUWFJFHSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001484173174 1395317073 /nfs/dbraw/zinc/31/70/73/1395317073.db2.gz CLGKPGASBIQPJR-HXUWFJFHSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001484618161 1395452435 /nfs/dbraw/zinc/45/24/35/1395452435.db2.gz INMUCHAMORRDRR-ASIGSXEYSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001485179718 1395688794 /nfs/dbraw/zinc/68/87/94/1395688794.db2.gz JANXRDBUDCWCBV-MSOLQXFVSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001485683160 1396103642 /nfs/dbraw/zinc/10/36/42/1396103642.db2.gz HMYYRVDEZIRWLM-CADBVGFASA-N 1 3 337.552 3.026 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930737 1396170314 /nfs/dbraw/zinc/17/03/14/1396170314.db2.gz XQQSKQAIUYWFKK-AEFFLSMTSA-N 1 3 337.552 3.122 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001486249706 1396189371 /nfs/dbraw/zinc/18/93/71/1396189371.db2.gz JZXHTRDDACXAQH-HKUYNNGSSA-N 1 3 345.531 3.223 10 0 EGAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001502714630 1396218955 /nfs/dbraw/zinc/21/89/55/1396218955.db2.gz BREZIMCFRMHKBW-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001495963814 1396580440 /nfs/dbraw/zinc/58/04/40/1396580440.db2.gz RUCMGWNINIYPDG-UHFFFAOYSA-N 1 3 343.515 3.347 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001496417558 1396701035 /nfs/dbraw/zinc/70/10/35/1396701035.db2.gz AIYLTJRLLOOWSK-IBGZPJMESA-N 1 3 335.536 3.189 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001496490952 1396708962 /nfs/dbraw/zinc/70/89/62/1396708962.db2.gz KHRJWCYLDAASEK-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585870 1396770579 /nfs/dbraw/zinc/77/05/79/1396770579.db2.gz NOKSHUMYPOVXJX-NYZDRWPISA-N 1 3 349.906 3.003 10 0 EGAEHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585870 1396770586 /nfs/dbraw/zinc/77/05/86/1396770586.db2.gz NOKSHUMYPOVXJX-NYZDRWPISA-N 1 3 349.906 3.003 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)cc1C ZINC001498132816 1396924443 /nfs/dbraw/zinc/92/44/43/1396924443.db2.gz ROCUAJWHDJAGET-AZUAARDMSA-N 1 3 345.531 3.161 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490019 1397034461 /nfs/dbraw/zinc/03/44/61/1397034461.db2.gz XFXWRWDAYSJWCI-RTBURBONSA-N 1 3 349.563 3.316 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1cccc(C)c1 ZINC001689970689 1404235006 /nfs/dbraw/zinc/23/50/06/1404235006.db2.gz YDOQOUYFCGJHMQ-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1cccc(C)c1 ZINC001689970689 1404235010 /nfs/dbraw/zinc/23/50/10/1404235010.db2.gz YDOQOUYFCGJHMQ-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001690487386 1404601638 /nfs/dbraw/zinc/60/16/38/1404601638.db2.gz RHRWYMATMQTWBG-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001690487437 1404601975 /nfs/dbraw/zinc/60/19/75/1404601975.db2.gz UABJWRKBIURDSA-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001732001738 1428212263 /nfs/dbraw/zinc/21/22/63/1428212263.db2.gz XVWQJUIGLNHCSN-QGZVFWFLSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001691061478 1404985558 /nfs/dbraw/zinc/98/55/58/1404985558.db2.gz GTCLSCVOMMMNMA-KAGICYHLSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001691061478 1404985560 /nfs/dbraw/zinc/98/55/60/1404985560.db2.gz GTCLSCVOMMMNMA-KAGICYHLSA-N 1 3 335.536 3.138 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001725741257 1426417278 /nfs/dbraw/zinc/41/72/78/1426417278.db2.gz AFQFQGFDTCGKTJ-KRWDZBQOSA-N 1 3 339.568 3.418 10 0 EGAEHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691680004 1405415763 /nfs/dbraw/zinc/41/57/63/1405415763.db2.gz ZUBINLSAZOZKHU-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001691683590 1405419002 /nfs/dbraw/zinc/41/90/02/1405419002.db2.gz VCERCCPURJLFTF-KRWDZBQOSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001691979730 1405693350 /nfs/dbraw/zinc/69/33/50/1405693350.db2.gz RRIZWMJOJUJFMW-VQTJNVASSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001691979730 1405693352 /nfs/dbraw/zinc/69/33/52/1405693352.db2.gz RRIZWMJOJUJFMW-VQTJNVASSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001692257962 1405887102 /nfs/dbraw/zinc/88/71/02/1405887102.db2.gz YESSTEPMNANTJA-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001692257962 1405887106 /nfs/dbraw/zinc/88/71/06/1405887106.db2.gz YESSTEPMNANTJA-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001692263220 1405893719 /nfs/dbraw/zinc/89/37/19/1405893719.db2.gz CJZBIVJQJLCAJG-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001692263220 1405893722 /nfs/dbraw/zinc/89/37/22/1405893722.db2.gz CJZBIVJQJLCAJG-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001692275199 1405905853 /nfs/dbraw/zinc/90/58/53/1405905853.db2.gz BZNVSQOBVQWMBZ-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001692275199 1405905859 /nfs/dbraw/zinc/90/58/59/1405905859.db2.gz BZNVSQOBVQWMBZ-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001692322781 1405941415 /nfs/dbraw/zinc/94/14/15/1405941415.db2.gz SNKVAKGYMPIKPA-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccccc1C[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001732012424 1428226831 /nfs/dbraw/zinc/22/68/31/1428226831.db2.gz LSRCLPFGIIAIBJ-SFHVURJKSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccccc1C[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001732012424 1428226837 /nfs/dbraw/zinc/22/68/37/1428226837.db2.gz LSRCLPFGIIAIBJ-SFHVURJKSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccc(CN2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001698573187 1406179574 /nfs/dbraw/zinc/17/95/74/1406179574.db2.gz LAYQHYWDDZPUET-FQEVSTJZSA-N 1 3 345.531 3.068 10 0 EGAEHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(CC)CC ZINC001732030673 1428248586 /nfs/dbraw/zinc/24/85/86/1428248586.db2.gz UMKRNWVJXDMGSD-CEXWTWQISA-N 1 3 349.563 3.218 10 0 EGAEHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(CC)CC ZINC001732030673 1428248588 /nfs/dbraw/zinc/24/85/88/1428248588.db2.gz UMKRNWVJXDMGSD-CEXWTWQISA-N 1 3 349.563 3.218 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001732206279 1428455700 /nfs/dbraw/zinc/45/57/00/1428455700.db2.gz SEVHQUBUFKUQLA-MOPGFXCFSA-N 1 3 345.531 3.497 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201899 1428452608 /nfs/dbraw/zinc/45/26/08/1428452608.db2.gz SCUJFXPVBICKMW-OALUTQOASA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001732223513 1428471930 /nfs/dbraw/zinc/47/19/30/1428471930.db2.gz UGWXFDFHRRPOSV-HXUWFJFHSA-N 1 3 341.499 3.164 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCC3)CC2)CCC1 ZINC001732309675 1428523558 /nfs/dbraw/zinc/52/35/58/1428523558.db2.gz APSXVWVGKCVUGW-IYARVYRRSA-N 1 3 335.536 3.068 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC1=CCCCC1 ZINC001732343826 1428542364 /nfs/dbraw/zinc/54/23/64/1428542364.db2.gz RTQZJINOOPVIPF-QGZVFWFLSA-N 1 3 335.536 3.093 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001732424255 1428575560 /nfs/dbraw/zinc/57/55/60/1428575560.db2.gz DJHOYFZFDCTDEU-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001699153708 1412539629 /nfs/dbraw/zinc/53/96/29/1412539629.db2.gz RUBPQDARZLZPIW-SJLPKXTDSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699387716 1412699628 /nfs/dbraw/zinc/69/96/28/1412699628.db2.gz FNYZEOLJHULUBK-IAGOWNOFSA-N 1 3 347.547 3.480 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486277 1412882198 /nfs/dbraw/zinc/88/21/98/1412882198.db2.gz GUEZKXCGUXBSBN-RBUKOAKNSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@@H](C)C[N@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001699684976 1413082185 /nfs/dbraw/zinc/08/21/85/1413082185.db2.gz ZOFLPNDQLIUQKE-MRXNPFEDSA-N 1 3 348.535 3.448 10 0 EGAEHO CC[C@@H](C)C[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001699684976 1413082191 /nfs/dbraw/zinc/08/21/91/1413082191.db2.gz ZOFLPNDQLIUQKE-MRXNPFEDSA-N 1 3 348.535 3.448 10 0 EGAEHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001699868720 1413311673 /nfs/dbraw/zinc/31/16/73/1413311673.db2.gz OXVUFSBGOUTSFC-CTNGQTDRSA-N 1 3 345.531 3.054 10 0 EGAEHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001699868720 1413311676 /nfs/dbraw/zinc/31/16/76/1413311676.db2.gz OXVUFSBGOUTSFC-CTNGQTDRSA-N 1 3 345.531 3.054 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCC(C)C)C[C@H]21)N(CC)CC ZINC001700019149 1413466009 /nfs/dbraw/zinc/46/60/09/1413466009.db2.gz DJRGSTLMLWXPAP-IPMKNSEASA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC(C)C)C[C@H]21)N(CC)CC ZINC001700019149 1413466012 /nfs/dbraw/zinc/46/60/12/1413466012.db2.gz DJRGSTLMLWXPAP-IPMKNSEASA-N 1 3 337.552 3.076 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001700124962 1413540787 /nfs/dbraw/zinc/54/07/87/1413540787.db2.gz JSGDFNWEKXHOKD-CQQBRXBZSA-N 1 3 335.536 3.186 10 0 EGAEHO CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001700443991 1414018092 /nfs/dbraw/zinc/01/80/92/1414018092.db2.gz BRUBSSGLFUQBKK-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(CC(C)(C)C[NH2+]CCC1CCCCCC1)C(=O)Cc1c[nH]cn1 ZINC001700446551 1414023012 /nfs/dbraw/zinc/02/30/12/1414023012.db2.gz QSMJYRFDCGADEI-UHFFFAOYSA-N 1 3 348.535 3.387 10 0 EGAEHO CCCCC[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001700522230 1414178346 /nfs/dbraw/zinc/17/83/46/1414178346.db2.gz YKZMIYMGJQBCGY-ROUUACIJSA-N 1 3 337.552 3.458 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001700537572 1414204821 /nfs/dbraw/zinc/20/48/21/1414204821.db2.gz FCXDOXYOTUYZOF-QGZVFWFLSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001700617876 1414285486 /nfs/dbraw/zinc/28/54/86/1414285486.db2.gz UZWVFWSUZZGHGS-HSALFYBXSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001700617876 1414285488 /nfs/dbraw/zinc/28/54/88/1414285488.db2.gz UZWVFWSUZZGHGS-HSALFYBXSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CCN(CC(=O)N2CCC([N@H+](C)CCC(C)(C)C)CC2)CC1 ZINC001700697304 1414355782 /nfs/dbraw/zinc/35/57/82/1414355782.db2.gz ZNVRVUSICOJZHU-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC1CCN(CC(=O)N2CCC([N@@H+](C)CCC(C)(C)C)CC2)CC1 ZINC001700697304 1414355786 /nfs/dbraw/zinc/35/57/86/1414355786.db2.gz ZNVRVUSICOJZHU-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001700996105 1414644743 /nfs/dbraw/zinc/64/47/43/1414644743.db2.gz NCXKHRIJIBDUEO-ZGWZEZEDSA-N 1 3 343.943 3.122 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001701013583 1414675333 /nfs/dbraw/zinc/67/53/33/1414675333.db2.gz QHNURGWLSNSCPE-KRWDZBQOSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001732909053 1429042367 /nfs/dbraw/zinc/04/23/67/1429042367.db2.gz QQTQFGVNARCZCB-GWQNQTGSSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001707276302 1417283520 /nfs/dbraw/zinc/28/35/20/1417283520.db2.gz MTRVGQAQBQTMNG-KRWDZBQOSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001707276302 1417283522 /nfs/dbraw/zinc/28/35/22/1417283522.db2.gz MTRVGQAQBQTMNG-KRWDZBQOSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001713086305 1417632427 /nfs/dbraw/zinc/63/24/27/1417632427.db2.gz IGINNLHDJVYPOL-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001713086305 1417632433 /nfs/dbraw/zinc/63/24/33/1417632433.db2.gz IGINNLHDJVYPOL-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N1CCCCC1 ZINC001713110167 1417671497 /nfs/dbraw/zinc/67/14/97/1417671497.db2.gz ZRHHMDXLXSLPEZ-SFHVURJKSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C)c1)N(C)C ZINC001713179522 1417752835 /nfs/dbraw/zinc/75/28/35/1417752835.db2.gz MKSPCGPNGWLQML-HQSKLWIPSA-N 1 3 349.544 3.008 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C)c1)N(C)C ZINC001713179522 1417752837 /nfs/dbraw/zinc/75/28/37/1417752837.db2.gz MKSPCGPNGWLQML-HQSKLWIPSA-N 1 3 349.544 3.008 10 0 EGAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713275482 1417892982 /nfs/dbraw/zinc/89/29/82/1417892982.db2.gz JIDZQQYEUOILKS-HKUYNNGSSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713275482 1417892985 /nfs/dbraw/zinc/89/29/85/1417892985.db2.gz JIDZQQYEUOILKS-HKUYNNGSSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001713392819 1418006301 /nfs/dbraw/zinc/00/63/01/1418006301.db2.gz TVGPBYZJQNIOIO-MOPGFXCFSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001713392819 1418006307 /nfs/dbraw/zinc/00/63/07/1418006307.db2.gz TVGPBYZJQNIOIO-MOPGFXCFSA-N 1 3 337.552 3.362 10 0 EGAEHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1cccc2ccccc21 ZINC001713664203 1418422027 /nfs/dbraw/zinc/42/20/27/1418422027.db2.gz KIOZUQJJOHJLLS-QGZVFWFLSA-N 1 3 339.483 3.045 10 0 EGAEHO CC(C)(C)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001713865557 1418662758 /nfs/dbraw/zinc/66/27/58/1418662758.db2.gz HAYCAQBWPLOKGL-QGZVFWFLSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001714041967 1418832408 /nfs/dbraw/zinc/83/24/08/1418832408.db2.gz QCUDPIZHPCNIAP-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001714041967 1418832411 /nfs/dbraw/zinc/83/24/11/1418832411.db2.gz QCUDPIZHPCNIAP-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC3CCCC3)C2)CC1 ZINC001714231262 1419023946 /nfs/dbraw/zinc/02/39/46/1419023946.db2.gz BQDLFGSIZWYDTO-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001714395612 1419141650 /nfs/dbraw/zinc/14/16/50/1419141650.db2.gz DZNMEXLQNMOZRT-IEBWSBKVSA-N 1 3 349.563 3.173 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001714448948 1419181263 /nfs/dbraw/zinc/18/12/63/1419181263.db2.gz NSCDHGLAOINHHW-IBGZPJMESA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001714448948 1419181266 /nfs/dbraw/zinc/18/12/66/1419181266.db2.gz NSCDHGLAOINHHW-IBGZPJMESA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624488 1419393108 /nfs/dbraw/zinc/39/31/08/1419393108.db2.gz WTZAAJSEHQGAOB-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624488 1419393110 /nfs/dbraw/zinc/39/31/10/1419393110.db2.gz WTZAAJSEHQGAOB-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001714650285 1419427771 /nfs/dbraw/zinc/42/77/71/1419427771.db2.gz RETVVIKKWQUCLN-RTBURBONSA-N 1 3 345.531 3.144 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001714650285 1419427773 /nfs/dbraw/zinc/42/77/73/1419427773.db2.gz RETVVIKKWQUCLN-RTBURBONSA-N 1 3 345.531 3.144 10 0 EGAEHO CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001714811397 1419522666 /nfs/dbraw/zinc/52/26/66/1419522666.db2.gz BPYMDDSHTOFSKO-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001715006592 1419736424 /nfs/dbraw/zinc/73/64/24/1419736424.db2.gz CFLUAQWDVFMTNI-NHQAVIFJSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001715006592 1419736426 /nfs/dbraw/zinc/73/64/26/1419736426.db2.gz CFLUAQWDVFMTNI-NHQAVIFJSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccccc1F ZINC001715076647 1419811446 /nfs/dbraw/zinc/81/14/46/1419811446.db2.gz VZWMGFLLTUIXSC-WMZOPIPTSA-N 1 3 349.494 3.075 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001715104272 1419845674 /nfs/dbraw/zinc/84/56/74/1419845674.db2.gz RAJLWYRLOLDXGD-HDICACEKSA-N 1 3 343.515 3.078 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001715121718 1419866704 /nfs/dbraw/zinc/86/67/04/1419866704.db2.gz BGYXEQIQBRZUBK-UWJYYQICSA-N 1 3 345.531 3.271 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCN1C(C)C ZINC001715382567 1420079692 /nfs/dbraw/zinc/07/96/92/1420079692.db2.gz LOMULHFMKHWNNZ-VQTJNVASSA-N 1 3 349.563 3.480 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001715463937 1420143367 /nfs/dbraw/zinc/14/33/67/1420143367.db2.gz IIVXJIMRNQOEOH-ZWKOTPCHSA-N 1 3 337.552 3.147 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001715718098 1420310124 /nfs/dbraw/zinc/31/01/24/1420310124.db2.gz YUIXCDXDYJWTAX-IEYVCLCVSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)[C@@H](C(=O)NC/C=C/CNCc1ccsc1)[NH+]1CCCCC1 ZINC001715915574 1420395826 /nfs/dbraw/zinc/39/58/26/1420395826.db2.gz UCXCCFRYCCCNNE-WRFKIARRSA-N 1 3 349.544 3.021 10 0 EGAEHO Cc1cc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001716018873 1420473540 /nfs/dbraw/zinc/47/35/40/1420473540.db2.gz BJVCOEUPFZDJRL-SFHVURJKSA-N 1 3 345.531 3.033 10 0 EGAEHO Cc1cc(C)c(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001716018873 1420473541 /nfs/dbraw/zinc/47/35/41/1420473541.db2.gz BJVCOEUPFZDJRL-SFHVURJKSA-N 1 3 345.531 3.033 10 0 EGAEHO C[C@@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)CN(C)CC(C)(C)C ZINC001716044338 1420507332 /nfs/dbraw/zinc/50/73/32/1420507332.db2.gz LGDZWYHAJJCVBN-ADKAHSJRSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H](C[N@@H+](C)CC1CCC(C)CC1)NC(=O)CN(C)CC(C)(C)C ZINC001716044338 1420507334 /nfs/dbraw/zinc/50/73/34/1420507334.db2.gz LGDZWYHAJJCVBN-ADKAHSJRSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001716198543 1420562909 /nfs/dbraw/zinc/56/29/09/1420562909.db2.gz PDZAHQSWIKQKEN-MRXNPFEDSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001716715579 1420871653 /nfs/dbraw/zinc/87/16/53/1420871653.db2.gz FPJSAPPLGBGJBD-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001716715579 1420871655 /nfs/dbraw/zinc/87/16/55/1420871655.db2.gz FPJSAPPLGBGJBD-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001716725236 1420884012 /nfs/dbraw/zinc/88/40/12/1420884012.db2.gz TWVZDBKXLZALJI-OAQYLSRUSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001716725236 1420884013 /nfs/dbraw/zinc/88/40/13/1420884013.db2.gz TWVZDBKXLZALJI-OAQYLSRUSA-N 1 3 349.563 3.221 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001716767758 1420913027 /nfs/dbraw/zinc/91/30/27/1420913027.db2.gz PMYOPNVDOJTNSM-SLVIYJBESA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCC1 ZINC001717159413 1421148824 /nfs/dbraw/zinc/14/88/24/1421148824.db2.gz ZJSDDKXDWYKDNH-PYTPGESOSA-N 1 3 335.536 3.236 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2)N(C)C ZINC001717270350 1421226983 /nfs/dbraw/zinc/22/69/83/1421226983.db2.gz VIRBZAOKSJSGIL-LJQANCHMSA-N 1 3 345.531 3.395 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)(C)C)C2)N(C)C ZINC001717270350 1421226985 /nfs/dbraw/zinc/22/69/85/1421226985.db2.gz VIRBZAOKSJSGIL-LJQANCHMSA-N 1 3 345.531 3.395 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001733296147 1429478707 /nfs/dbraw/zinc/47/87/07/1429478707.db2.gz DIMTZHHDSFYQPA-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001733296147 1429478708 /nfs/dbraw/zinc/47/87/08/1429478708.db2.gz DIMTZHHDSFYQPA-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC001717490032 1421428403 /nfs/dbraw/zinc/42/84/03/1421428403.db2.gz DNAAXRUVZVJMOV-WMZOPIPTSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001717490032 1421428404 /nfs/dbraw/zinc/42/84/04/1421428404.db2.gz DNAAXRUVZVJMOV-WMZOPIPTSA-N 1 3 337.552 3.122 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696516 1421570625 /nfs/dbraw/zinc/57/06/25/1421570625.db2.gz VLJPVAAQIFMUMI-ICSRJNTNSA-N 1 3 345.531 3.244 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001717831059 1421643525 /nfs/dbraw/zinc/64/35/25/1421643525.db2.gz WRBXMMOHCDFITF-QFBILLFUSA-N 1 3 345.531 3.377 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717870062 1421679351 /nfs/dbraw/zinc/67/93/51/1421679351.db2.gz CWJRYPQZXFGQIO-ASIGSXEYSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCC1 ZINC001717973981 1421745921 /nfs/dbraw/zinc/74/59/21/1421745921.db2.gz PJQZOESZNPQLJF-MSOLQXFVSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001733465523 1429698359 /nfs/dbraw/zinc/69/83/59/1429698359.db2.gz MNKWVQCEJOOXSO-FPOVZHCZSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001733465523 1429698360 /nfs/dbraw/zinc/69/83/60/1429698360.db2.gz MNKWVQCEJOOXSO-FPOVZHCZSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001723333284 1424355552 /nfs/dbraw/zinc/35/55/52/1424355552.db2.gz GNXIQYMLXJEYTJ-UXHICEINSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001723967305 1424614453 /nfs/dbraw/zinc/61/44/53/1424614453.db2.gz QCFDDADJJXGFAJ-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001724154155 1424695733 /nfs/dbraw/zinc/69/57/33/1424695733.db2.gz MEMQZAREXTYXST-TWPWWVQHSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001724154155 1424695735 /nfs/dbraw/zinc/69/57/35/1424695735.db2.gz MEMQZAREXTYXST-TWPWWVQHSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001724248653 1424754289 /nfs/dbraw/zinc/75/42/89/1424754289.db2.gz DZFRGZMLRQDYKM-BOXUBARPSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001724325577 1424814254 /nfs/dbraw/zinc/81/42/54/1424814254.db2.gz YWESIKZMUBYCNR-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001724325577 1424814259 /nfs/dbraw/zinc/81/42/59/1424814259.db2.gz YWESIKZMUBYCNR-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512326 1424889844 /nfs/dbraw/zinc/88/98/44/1424889844.db2.gz ROGHWVPIISZZBF-VQTJNVASSA-N 1 3 345.531 3.279 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653355 1425016535 /nfs/dbraw/zinc/01/65/35/1425016535.db2.gz QJEZWFCCDREJKY-ZKABGFLLSA-N 1 3 349.563 3.384 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653355 1425016541 /nfs/dbraw/zinc/01/65/41/1425016541.db2.gz QJEZWFCCDREJKY-ZKABGFLLSA-N 1 3 349.563 3.384 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001724890962 1425277993 /nfs/dbraw/zinc/27/79/93/1425277993.db2.gz IMXVEQNINFBDNZ-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001724900977 1425296593 /nfs/dbraw/zinc/29/65/93/1425296593.db2.gz WKTFQKAFPHBJCB-HXUWFJFHSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001724900977 1425296598 /nfs/dbraw/zinc/29/65/98/1425296598.db2.gz WKTFQKAFPHBJCB-HXUWFJFHSA-N 1 3 349.563 3.366 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001725016860 1425435457 /nfs/dbraw/zinc/43/54/57/1425435457.db2.gz GAVFAJSHTZENLT-VOTSOKGWSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001725097039 1425541208 /nfs/dbraw/zinc/54/12/08/1425541208.db2.gz UDRVRKDGVOHKQP-MSOLQXFVSA-N 1 3 345.531 3.242 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001725097043 1425541281 /nfs/dbraw/zinc/54/12/81/1425541281.db2.gz UDRVRKDGVOHKQP-ROUUACIJSA-N 1 3 345.531 3.242 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)Cc1ccc(F)cc1 ZINC001725191414 1425736236 /nfs/dbraw/zinc/73/62/36/1425736236.db2.gz UYLFGJFFQVETOI-SJORKVTESA-N 1 3 349.494 3.027 10 0 EGAEHO CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001725250994 1425871638 /nfs/dbraw/zinc/87/16/38/1425871638.db2.gz YJFJGUNRGDPQKW-ZYLKZGKVSA-N 1 3 335.536 3.042 10 0 EGAEHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC(C)CC1 ZINC001725508899 1426194556 /nfs/dbraw/zinc/19/45/56/1426194556.db2.gz YKTDUGUGRDHQOX-LXPRWKDFSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCCC[NH2+][C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001725684148 1426371969 /nfs/dbraw/zinc/37/19/69/1426371969.db2.gz YGDUJNIXVADTNU-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C ZINC001725749017 1426427354 /nfs/dbraw/zinc/42/73/54/1426427354.db2.gz CGRFCORLFORAGK-QGZVFWFLSA-N 1 3 337.552 3.029 10 0 EGAEHO CCCCC[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001725774148 1426457827 /nfs/dbraw/zinc/45/78/27/1426457827.db2.gz DPPNKMJLDQDLNT-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725779360 1426463180 /nfs/dbraw/zinc/46/31/80/1426463180.db2.gz GYYWVTCCYAUPLZ-UHFFFAOYSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001731385905 1427331502 /nfs/dbraw/zinc/33/15/02/1427331502.db2.gz OXCMXJXMAVIYCP-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(CC=C(C)C)CC1 ZINC001731386559 1427332499 /nfs/dbraw/zinc/33/24/99/1427332499.db2.gz XCHVTVLFKQSNNP-VQTJNVASSA-N 1 3 349.563 3.386 10 0 EGAEHO CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCN(CC=C(C)C)CC1 ZINC001731386559 1427332503 /nfs/dbraw/zinc/33/25/03/1427332503.db2.gz XCHVTVLFKQSNNP-VQTJNVASSA-N 1 3 349.563 3.386 10 0 EGAEHO CCCCC[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001731571492 1427612924 /nfs/dbraw/zinc/61/29/24/1427612924.db2.gz IIDFGNYVGVSINU-UHFFFAOYSA-N 1 3 325.541 3.172 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692943 1427741533 /nfs/dbraw/zinc/74/15/33/1427741533.db2.gz QCLQGPINRPAYOM-OALUTQOASA-N 1 3 349.563 3.458 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001731885539 1428161040 /nfs/dbraw/zinc/16/10/40/1428161040.db2.gz PRGBBNVKVCGOSU-HDICACEKSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001731885539 1428161041 /nfs/dbraw/zinc/16/10/41/1428161041.db2.gz PRGBBNVKVCGOSU-HDICACEKSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001733716142 1429935182 /nfs/dbraw/zinc/93/51/82/1429935182.db2.gz NOPVUHVZDWXLQT-IBGZPJMESA-N 1 3 349.563 3.460 10 0 EGAEHO C=C/C(C)=C\CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC)CC1 ZINC001733781868 1430046692 /nfs/dbraw/zinc/04/66/92/1430046692.db2.gz USCQOKSBKDFTPE-FWMCSXDOSA-N 1 3 345.531 3.058 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733812356 1430090630 /nfs/dbraw/zinc/09/06/30/1430090630.db2.gz IJUJZNDKEKZADA-RXDZQLDNSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733812356 1430090634 /nfs/dbraw/zinc/09/06/34/1430090634.db2.gz IJUJZNDKEKZADA-RXDZQLDNSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001733869300 1437695620 /nfs/dbraw/zinc/69/56/20/1437695620.db2.gz HEFIFZPCTHEDPC-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001734056903 1437848768 /nfs/dbraw/zinc/84/87/68/1437848768.db2.gz DRGVDRBXIPLXOS-MSOLQXFVSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001734056903 1437848770 /nfs/dbraw/zinc/84/87/70/1437848770.db2.gz DRGVDRBXIPLXOS-MSOLQXFVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C1 ZINC001734194665 1437935547 /nfs/dbraw/zinc/93/55/47/1437935547.db2.gz UENFPZDYPYWNER-VAMGGRTRSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C1 ZINC001734194665 1437935549 /nfs/dbraw/zinc/93/55/49/1437935549.db2.gz UENFPZDYPYWNER-VAMGGRTRSA-N 1 3 349.563 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308215 1438040172 /nfs/dbraw/zinc/04/01/72/1438040172.db2.gz HKQHAFMRIQLBGZ-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC/C=C/c2ccccc2)C[C@@H]1C ZINC001734427065 1438092365 /nfs/dbraw/zinc/09/23/65/1438092365.db2.gz OBYVZXVEMOKMST-KOXHKMTQSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001734488834 1438129815 /nfs/dbraw/zinc/12/98/15/1438129815.db2.gz SGQKQEZAIYZKOU-PXNSSMCTSA-N 1 3 343.515 3.203 10 0 EGAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C)CCC1 ZINC001734561677 1438158884 /nfs/dbraw/zinc/15/88/84/1438158884.db2.gz OLNQBRJFEGVYAK-MRXNPFEDSA-N 1 3 339.568 3.418 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001734577909 1438170390 /nfs/dbraw/zinc/17/03/90/1438170390.db2.gz PDKKPHLLKOARTN-FYCOFBDGSA-N 1 3 346.519 3.224 10 0 EGAEHO COc1ccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1NC(C)=O ZINC000183949827 235268946 /nfs/dbraw/zinc/26/89/46/235268946.db2.gz FPWYFWNAYTUQHT-HNNXBMFYSA-N 1 3 347.503 3.426 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc(F)c1 ZINC000268820337 252271269 /nfs/dbraw/zinc/27/12/69/252271269.db2.gz RUJTZZJLOULWSX-HBGVWJBISA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cccc(F)c1 ZINC000268820337 252271273 /nfs/dbraw/zinc/27/12/73/252271273.db2.gz RUJTZZJLOULWSX-HBGVWJBISA-N 1 3 342.458 3.359 10 0 EGAEHO Cn1cncc1[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000328622030 258035283 /nfs/dbraw/zinc/03/52/83/258035283.db2.gz AWZJZJKLRFYXFH-XLIONFOSSA-N 1 3 346.519 3.027 10 0 EGAEHO Cn1cncc1[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622030 258035284 /nfs/dbraw/zinc/03/52/84/258035284.db2.gz AWZJZJKLRFYXFH-XLIONFOSSA-N 1 3 346.519 3.027 10 0 EGAEHO c1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488496 141122110 /nfs/dbraw/zinc/12/21/10/141122110.db2.gz PHXUQIZSKNZAFA-HXUWFJFHSA-N 1 3 339.483 3.033 10 0 EGAEHO c1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488496 141122114 /nfs/dbraw/zinc/12/21/14/141122114.db2.gz PHXUQIZSKNZAFA-HXUWFJFHSA-N 1 3 339.483 3.033 10 0 EGAEHO c1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488496 141122117 /nfs/dbraw/zinc/12/21/17/141122117.db2.gz PHXUQIZSKNZAFA-HXUWFJFHSA-N 1 3 339.483 3.033 10 0 EGAEHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348061741 141237374 /nfs/dbraw/zinc/23/73/74/141237374.db2.gz JKACCUGNQDEVBL-RTBURBONSA-N 1 3 330.520 3.008 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192687642 144177804 /nfs/dbraw/zinc/17/78/04/144177804.db2.gz AGBQRCQZLSKAFW-SEJPIABJSA-N 1 3 327.516 3.174 10 0 EGAEHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000310950102 154145050 /nfs/dbraw/zinc/14/50/50/154145050.db2.gz LUGFHYXWMZCTQL-VQIMIIECSA-N 1 3 340.467 3.401 10 0 EGAEHO CCN(CC)CC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000337474997 154371840 /nfs/dbraw/zinc/37/18/40/154371840.db2.gz SVXBLBIMWKMDPE-UHFFFAOYSA-N 1 3 345.531 3.137 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cn1 ZINC000346169702 164355495 /nfs/dbraw/zinc/35/54/95/164355495.db2.gz MTNVJVRQOAVKSI-HNAYVOBHSA-N 1 3 342.512 3.383 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)cn1 ZINC000346169702 164355497 /nfs/dbraw/zinc/35/54/97/164355497.db2.gz MTNVJVRQOAVKSI-HNAYVOBHSA-N 1 3 342.512 3.383 10 0 EGAEHO CCN(CCn1ccnc1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000346278003 164364329 /nfs/dbraw/zinc/36/43/29/164364329.db2.gz NSZLWXJKWURKNA-XLIONFOSSA-N 1 3 326.488 3.349 10 0 EGAEHO CCN(CCn1ccnc1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000346278003 164364330 /nfs/dbraw/zinc/36/43/30/164364330.db2.gz NSZLWXJKWURKNA-XLIONFOSSA-N 1 3 326.488 3.349 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274887437 267302278 /nfs/dbraw/zinc/30/22/78/267302278.db2.gz ITVPVURZZWAVMP-QFBILLFUSA-N 1 3 342.458 3.318 10 0 EGAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397760791 308904804 /nfs/dbraw/zinc/90/48/04/308904804.db2.gz KYVUBGUNXPPQDE-RBUKOAKNSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCNC[C@H]1C ZINC000414945480 309110691 /nfs/dbraw/zinc/11/06/91/309110691.db2.gz RRSVUCBKYVMAFX-HFAKWTLXSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414945480 309110692 /nfs/dbraw/zinc/11/06/92/309110692.db2.gz RRSVUCBKYVMAFX-HFAKWTLXSA-N 1 3 329.257 3.107 10 0 EGAEHO COC[C@]1(CNC2CCC(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000414953540 309111132 /nfs/dbraw/zinc/11/11/32/309111132.db2.gz JWSLREHPTSVGIE-OUNSHVDWSA-N 1 3 332.488 3.080 10 0 EGAEHO c1cnn(-c2ccccc2CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415083851 309119213 /nfs/dbraw/zinc/11/92/13/309119213.db2.gz FWSSDMFMQVHMLG-WOJBJXKFSA-N 1 3 332.451 3.455 10 0 EGAEHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711638 309364162 /nfs/dbraw/zinc/36/41/62/309364162.db2.gz HFNPSHYGZHZGRM-OQIJWPOYSA-N 1 3 347.572 3.395 10 0 EGAEHO CCCOc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422823515 309370311 /nfs/dbraw/zinc/37/03/11/309370311.db2.gz DMXUXZQSBZUMIX-AWEZNQCLSA-N 1 3 343.471 3.497 10 0 EGAEHO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422915522 309376053 /nfs/dbraw/zinc/37/60/53/309376053.db2.gz BFBLLYLRNBFSIJ-KBPBESRZSA-N 1 3 343.471 3.148 10 0 EGAEHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1)N1CCCCC1 ZINC000423106559 309386239 /nfs/dbraw/zinc/38/62/39/309386239.db2.gz ZZTFLCZJMWJOFP-JAZQRGJZSA-N 1 3 347.547 3.068 10 0 EGAEHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1C ZINC000423158224 309388763 /nfs/dbraw/zinc/38/87/63/309388763.db2.gz CMJFLXGZMGKSLS-MXEMCNAFSA-N 1 3 330.516 3.107 10 0 EGAEHO N[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232729 309391699 /nfs/dbraw/zinc/39/16/99/309391699.db2.gz CSWNYBYKXZPQSJ-YUMYIRISSA-N 1 3 335.495 3.472 10 0 EGAEHO N[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232729 309391700 /nfs/dbraw/zinc/39/17/00/309391700.db2.gz CSWNYBYKXZPQSJ-YUMYIRISSA-N 1 3 335.495 3.472 10 0 EGAEHO CN(C)CCOc1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000426089130 309499250 /nfs/dbraw/zinc/49/92/50/309499250.db2.gz KVQOCKHLYHHTBS-UHFFFAOYSA-N 1 3 347.503 3.078 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)OCC)CC1 ZINC000436405593 309754717 /nfs/dbraw/zinc/75/47/17/309754717.db2.gz BERYAPWMGHCITA-UHFFFAOYSA-N 1 3 333.520 3.123 10 0 EGAEHO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000453304459 310270044 /nfs/dbraw/zinc/27/00/44/310270044.db2.gz GHLVTIABYRAEAE-MRXNPFEDSA-N 1 3 338.467 3.044 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H]2CCC[C@@H]21 ZINC000513697640 312215592 /nfs/dbraw/zinc/21/55/92/312215592.db2.gz PZQYZLOUYJPLPB-QYZOEREBSA-N 1 3 343.446 3.486 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H]2CCC[C@@H]21 ZINC000513697640 312215593 /nfs/dbraw/zinc/21/55/93/312215593.db2.gz PZQYZLOUYJPLPB-QYZOEREBSA-N 1 3 343.446 3.486 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029360 312359567 /nfs/dbraw/zinc/35/95/67/312359567.db2.gz JSIWNBBPKVSCGV-WOJBJXKFSA-N 1 3 327.516 3.115 10 0 EGAEHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC(F)(F)C1 ZINC000529544408 313351590 /nfs/dbraw/zinc/35/15/90/313351590.db2.gz MZKJPERMJFXCIQ-AWEZNQCLSA-N 1 3 338.442 3.167 10 0 EGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529605106 313366776 /nfs/dbraw/zinc/36/67/76/313366776.db2.gz ANTFLQBGLGNVSW-OAHLLOKOSA-N 1 3 338.442 3.037 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530208639 313496753 /nfs/dbraw/zinc/49/67/53/313496753.db2.gz GIRLMBHDFCXUSZ-YWCBWXAZSA-N 1 3 327.859 3.491 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1=CCN(C)CC1 ZINC000540606194 314391910 /nfs/dbraw/zinc/39/19/10/314391910.db2.gz HBTWHENJCNGLDE-LBPRGKRZSA-N 1 3 341.268 3.371 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247430 315209116 /nfs/dbraw/zinc/20/91/16/315209116.db2.gz OXROUGZCGHYPDB-AKHDSKFASA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247430 315209121 /nfs/dbraw/zinc/20/91/21/315209121.db2.gz OXROUGZCGHYPDB-AKHDSKFASA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247430 315209123 /nfs/dbraw/zinc/20/91/23/315209123.db2.gz OXROUGZCGHYPDB-AKHDSKFASA-N 1 3 335.923 3.405 10 0 EGAEHO Cc1ccccc1[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000552946981 315238342 /nfs/dbraw/zinc/23/83/42/315238342.db2.gz DXMAUYJDGGLIDA-OAQYLSRUSA-N 1 3 343.515 3.025 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCSC2)CC1 ZINC000564115622 316114972 /nfs/dbraw/zinc/11/49/72/316114972.db2.gz ODVAOKRNEMAEGQ-SFHVURJKSA-N 1 3 347.572 3.451 10 0 EGAEHO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000579462254 325113206 /nfs/dbraw/zinc/11/32/06/325113206.db2.gz WWRJRJJUZFYYOB-YBQNFFGRSA-N 1 3 342.531 3.190 10 0 EGAEHO C[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(F)cc1 ZINC000579647354 325138425 /nfs/dbraw/zinc/13/84/25/325138425.db2.gz LKELZTCTQUHKAA-XVSDAANHSA-N 1 3 345.506 3.172 10 0 EGAEHO C[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccc(F)cc1 ZINC000579647354 325138428 /nfs/dbraw/zinc/13/84/28/325138428.db2.gz LKELZTCTQUHKAA-XVSDAANHSA-N 1 3 345.506 3.172 10 0 EGAEHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCN ZINC000437772658 458491081 /nfs/dbraw/zinc/49/10/81/458491081.db2.gz KGMGOCUJJRIFJK-VIFPVBQESA-N 1 3 337.773 3.014 10 0 EGAEHO C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809350 460569594 /nfs/dbraw/zinc/56/95/94/460569594.db2.gz OFOHIQMRIDNXKH-QAPCUYQASA-N 1 3 328.460 3.009 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCNc2cccc(Br)c2)CC1(C)C ZINC000623487771 460576480 /nfs/dbraw/zinc/57/64/80/460576480.db2.gz SAHLMTKDNQDZHI-OAHLLOKOSA-N 1 3 340.309 3.323 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCNc2cccc(Br)c2)CC1(C)C ZINC000623487771 460576484 /nfs/dbraw/zinc/57/64/84/460576484.db2.gz SAHLMTKDNQDZHI-OAHLLOKOSA-N 1 3 340.309 3.323 10 0 EGAEHO CCC[N@H+](C)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968845 460598758 /nfs/dbraw/zinc/59/87/58/460598758.db2.gz RUSJVFCJMTZKQM-HNNXBMFYSA-N 1 3 346.302 3.054 10 0 EGAEHO CCC[N@@H+](C)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968845 460598761 /nfs/dbraw/zinc/59/87/61/460598761.db2.gz RUSJVFCJMTZKQM-HNNXBMFYSA-N 1 3 346.302 3.054 10 0 EGAEHO C[C@@H](CCc1ccccc1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000069777292 454143634 /nfs/dbraw/zinc/14/36/34/454143634.db2.gz FZLQPGIORUSOGN-PZJWPPBQSA-N 1 3 329.532 3.110 10 0 EGAEHO C[C@@H](CCc1ccccc1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000069777292 454143636 /nfs/dbraw/zinc/14/36/36/454143636.db2.gz FZLQPGIORUSOGN-PZJWPPBQSA-N 1 3 329.532 3.110 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)ccn1 ZINC000095988026 454253212 /nfs/dbraw/zinc/25/32/12/454253212.db2.gz WBMNZFWPHWZWRA-AQNXPRMDSA-N 1 3 341.499 3.235 10 0 EGAEHO CN(C)CCOc1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000132532718 454347180 /nfs/dbraw/zinc/34/71/80/454347180.db2.gz QSEPBDIKJIROJA-PMACEKPBSA-N 1 3 339.483 3.448 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH+]2CCC(COC)CC2)CC1 ZINC000093103610 454683005 /nfs/dbraw/zinc/68/30/05/454683005.db2.gz HGQXCKSTYDZXKL-UHFFFAOYSA-N 1 3 345.531 3.077 10 0 EGAEHO COCC[NH+]1CCC(N[C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154854463 454936213 /nfs/dbraw/zinc/93/62/13/454936213.db2.gz PULCDQSWLRBNFX-LJQANCHMSA-N 1 3 332.488 3.218 10 0 EGAEHO CC[C@@H](C)NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180117668 455134396 /nfs/dbraw/zinc/13/43/96/455134396.db2.gz QZCCXLBFKXVQNT-VOBGVNJCSA-N 1 3 343.515 3.076 10 0 EGAEHO CC[C@@H](C)NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180117668 455134398 /nfs/dbraw/zinc/13/43/98/455134398.db2.gz QZCCXLBFKXVQNT-VOBGVNJCSA-N 1 3 343.515 3.076 10 0 EGAEHO COc1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1O ZINC000180116113 455134766 /nfs/dbraw/zinc/13/47/66/455134766.db2.gz NHYTWXLQQWIJNC-INIZCTEOSA-N 1 3 346.496 3.464 10 0 EGAEHO COc1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1O ZINC000180116113 455134768 /nfs/dbraw/zinc/13/47/68/455134768.db2.gz NHYTWXLQQWIJNC-INIZCTEOSA-N 1 3 346.496 3.464 10 0 EGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccc(F)c1 ZINC000174252857 455374243 /nfs/dbraw/zinc/37/42/43/455374243.db2.gz HNYIBFFQRVZICF-KRWDZBQOSA-N 1 3 333.495 3.427 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1)C(C)C ZINC000247508722 455614008 /nfs/dbraw/zinc/61/40/08/455614008.db2.gz VRAUUTCHVUVRDW-XLIONFOSSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1)C(C)C ZINC000247508722 455614014 /nfs/dbraw/zinc/61/40/14/455614014.db2.gz VRAUUTCHVUVRDW-XLIONFOSSA-N 1 3 343.515 3.226 10 0 EGAEHO CN1CCC[C@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)CC[C@H]21 ZINC000248130885 455685128 /nfs/dbraw/zinc/68/51/28/455685128.db2.gz OKIJDDKJXPFNTK-ZWKOTPCHSA-N 1 3 340.471 3.085 10 0 EGAEHO CN1CCC[C@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)CC[C@H]21 ZINC000248130885 455685132 /nfs/dbraw/zinc/68/51/32/455685132.db2.gz OKIJDDKJXPFNTK-ZWKOTPCHSA-N 1 3 340.471 3.085 10 0 EGAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261928683 455972882 /nfs/dbraw/zinc/97/28/82/455972882.db2.gz SMDVVDSGAQIGPF-QRQLOZEOSA-N 1 3 329.488 3.388 10 0 EGAEHO c1ccc(CN2CC[C@@H](N3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000271238382 456186805 /nfs/dbraw/zinc/18/68/05/456186805.db2.gz DDZIGDAHRXAXNP-OAQYLSRUSA-N 1 3 327.516 3.211 10 0 EGAEHO CN1CC[C@H]([NH2+]CCCN2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000340289021 456364913 /nfs/dbraw/zinc/36/49/13/456364913.db2.gz UBGJVXPZDVPDMW-RBUKOAKNSA-N 1 3 337.458 3.176 10 0 EGAEHO C[C@H]1C[C@@H](NCCOc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000291035458 456504893 /nfs/dbraw/zinc/50/48/93/456504893.db2.gz AGWHMMLKCGWATL-WMZOPIPTSA-N 1 3 343.446 3.242 10 0 EGAEHO C[C@H]1C[C@@H](NCCOc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000291035458 456504900 /nfs/dbraw/zinc/50/49/00/456504900.db2.gz AGWHMMLKCGWATL-WMZOPIPTSA-N 1 3 343.446 3.242 10 0 EGAEHO CCC1(CNCc2nccn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000338335293 456774613 /nfs/dbraw/zinc/77/46/13/456774613.db2.gz ZWTOYWOKHRKZMK-UHFFFAOYSA-N 1 3 326.488 3.202 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(CC)CC ZINC000345799511 456994898 /nfs/dbraw/zinc/99/48/98/456994898.db2.gz NJLHDHDAZGRNAT-IBGZPJMESA-N 1 3 333.520 3.263 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(CC)CC ZINC000345799511 456994901 /nfs/dbraw/zinc/99/49/01/456994901.db2.gz NJLHDHDAZGRNAT-IBGZPJMESA-N 1 3 333.520 3.263 10 0 EGAEHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358920649 457034253 /nfs/dbraw/zinc/03/42/53/457034253.db2.gz ZFKLMPYZKYYQGO-GOSISDBHSA-N 1 3 326.488 3.427 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000354404092 457200947 /nfs/dbraw/zinc/20/09/47/457200947.db2.gz MOLBXWIEYXOGTJ-PMACEKPBSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000354404092 457200951 /nfs/dbraw/zinc/20/09/51/457200951.db2.gz MOLBXWIEYXOGTJ-PMACEKPBSA-N 1 3 343.515 3.032 10 0 EGAEHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373891653 457387966 /nfs/dbraw/zinc/38/79/66/457387966.db2.gz JMQSEONFFBLNCE-FQEVSTJZSA-N 1 3 347.547 3.118 10 0 EGAEHO C[C@@H]1C[C@@H](C)N(CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000397340085 457486007 /nfs/dbraw/zinc/48/60/07/457486007.db2.gz VIXOZUJHURYMGF-MGPQQGTHSA-N 1 3 334.489 3.036 10 0 EGAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C)N(C)C ZINC000357845534 457708985 /nfs/dbraw/zinc/70/89/85/457708985.db2.gz DOACOQRDWSXDBQ-UEXGIBASSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C)N(C)C ZINC000357845534 457708986 /nfs/dbraw/zinc/70/89/86/457708986.db2.gz DOACOQRDWSXDBQ-UEXGIBASSA-N 1 3 345.531 3.367 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1F ZINC000358343414 457947433 /nfs/dbraw/zinc/94/74/33/457947433.db2.gz HSFIEYLHZVQYGB-QFBILLFUSA-N 1 3 343.446 3.100 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1F ZINC000358343414 457947438 /nfs/dbraw/zinc/94/74/38/457947438.db2.gz HSFIEYLHZVQYGB-QFBILLFUSA-N 1 3 343.446 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000436303910 458285485 /nfs/dbraw/zinc/28/54/85/458285485.db2.gz CQGBENOXPRMYRO-NBMJBFSESA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000436303910 458285487 /nfs/dbraw/zinc/28/54/87/458285487.db2.gz CQGBENOXPRMYRO-NBMJBFSESA-N 1 3 336.520 3.351 10 0 EGAEHO c1ccc2nc(CC[NH2+]C3CCN(c4ccncc4)CC3)ccc2c1 ZINC000459390341 458356260 /nfs/dbraw/zinc/35/62/60/458356260.db2.gz PNFSVNFZBCLXJR-UHFFFAOYSA-N 1 3 332.451 3.431 10 0 EGAEHO NC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CCCC1 ZINC000423512104 458447663 /nfs/dbraw/zinc/44/76/63/458447663.db2.gz UODMSAMUIJMLPS-BURNTYAHSA-N 1 3 327.516 3.289 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527082 458452453 /nfs/dbraw/zinc/45/24/53/458452453.db2.gz MBRMULPWGZKUFW-VBCSQTKFSA-N 1 3 332.532 3.325 10 0 EGAEHO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCCC[NH3+] ZINC000437772658 458491078 /nfs/dbraw/zinc/49/10/78/458491078.db2.gz KGMGOCUJJRIFJK-VIFPVBQESA-N 1 3 337.773 3.014 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110804 458495281 /nfs/dbraw/zinc/49/52/81/458495281.db2.gz ZZXOUMNMNWHODZ-XUVXKRRUSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110804 458495283 /nfs/dbraw/zinc/49/52/83/458495283.db2.gz ZZXOUMNMNWHODZ-XUVXKRRUSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN([C@@H](C)CC[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110804 458495284 /nfs/dbraw/zinc/49/52/84/458495284.db2.gz ZZXOUMNMNWHODZ-XUVXKRRUSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN([C@@H](C)CC[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110804 458495285 /nfs/dbraw/zinc/49/52/85/458495285.db2.gz ZZXOUMNMNWHODZ-XUVXKRRUSA-N 1 3 340.552 3.262 10 0 EGAEHO C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCCCCC1 ZINC000468773326 458534487 /nfs/dbraw/zinc/53/44/87/458534487.db2.gz AUCWQIKZQNQEKO-WOJBJXKFSA-N 1 3 349.563 3.366 10 0 EGAEHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCOc1ccccc1 ZINC000438113956 458536064 /nfs/dbraw/zinc/53/60/64/458536064.db2.gz CYMFNZNIDVYVTB-HOJAQTOUSA-N 1 3 332.488 3.029 10 0 EGAEHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562322 458589144 /nfs/dbraw/zinc/58/91/44/458589144.db2.gz BVEPJWDBZIRATI-PMACEKPBSA-N 1 3 345.531 3.450 10 0 EGAEHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431562322 458589149 /nfs/dbraw/zinc/58/91/49/458589149.db2.gz BVEPJWDBZIRATI-PMACEKPBSA-N 1 3 345.531 3.450 10 0 EGAEHO C[C@@H](CCc1n[nH]c2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000475555414 458951455 /nfs/dbraw/zinc/95/14/55/458951455.db2.gz LWKBCEJIDSKEKB-GTPINHCMSA-N 1 3 326.488 3.491 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502114 459065644 /nfs/dbraw/zinc/06/56/44/459065644.db2.gz FJCHOIYHKHWYOM-BEFAXECRSA-N 1 3 330.472 3.172 10 0 EGAEHO CC[NH+](CC)CC1CCN(CCOCc2ccc(OC)cc2)CC1 ZINC000594724456 459142056 /nfs/dbraw/zinc/14/20/56/459142056.db2.gz STHHZUPRAJHGIM-UHFFFAOYSA-N 1 3 334.504 3.266 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000558652245 459188889 /nfs/dbraw/zinc/18/88/89/459188889.db2.gz HZVKPPRNWQEADA-MSOLQXFVSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000558652245 459188895 /nfs/dbraw/zinc/18/88/95/459188895.db2.gz HZVKPPRNWQEADA-MSOLQXFVSA-N 1 3 343.515 3.019 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2cc(Br)cs2)[C@H]2CCC[C@H]21 ZINC000582137914 459315197 /nfs/dbraw/zinc/31/51/97/459315197.db2.gz HIWXLDRFVMZKQM-HZSPNIEDSA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2cc(Br)cs2)[C@H]2CCC[C@H]21 ZINC000582137914 459315200 /nfs/dbraw/zinc/31/52/00/459315200.db2.gz HIWXLDRFVMZKQM-HZSPNIEDSA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@H]2CCC[C@H]21 ZINC000582137914 459315207 /nfs/dbraw/zinc/31/52/07/459315207.db2.gz HIWXLDRFVMZKQM-HZSPNIEDSA-N 1 3 329.307 3.473 10 0 EGAEHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)N(C)C)cc1 ZINC000560531869 459367645 /nfs/dbraw/zinc/36/76/45/459367645.db2.gz FWQYRBIEWUCNLC-WOZUAGRISA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N(C)C)cc1 ZINC000560531869 459367649 /nfs/dbraw/zinc/36/76/49/459367649.db2.gz FWQYRBIEWUCNLC-WOZUAGRISA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N(C)C)cc1 ZINC000560531869 459367651 /nfs/dbraw/zinc/36/76/51/459367651.db2.gz FWQYRBIEWUCNLC-WOZUAGRISA-N 1 3 329.532 3.314 10 0 EGAEHO c1ccc(CN2CC[C@@H]([NH2+]C3CCN(C4CC4)CC3)CC23CC3)cc1 ZINC000582904513 459449099 /nfs/dbraw/zinc/44/90/99/459449099.db2.gz WQHNUWRVVNFOLK-HXUWFJFHSA-N 1 3 339.527 3.400 10 0 EGAEHO C[C@@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000562495784 459573165 /nfs/dbraw/zinc/57/31/65/459573165.db2.gz SYYQIVHUTSINLS-WLRLJWMZSA-N 1 3 327.516 3.113 10 0 EGAEHO COC(=O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596595661 459689997 /nfs/dbraw/zinc/68/99/97/459689997.db2.gz ULCCLOQWTWHPTJ-FQEVSTJZSA-N 1 3 344.499 3.172 10 0 EGAEHO COC(=O)CC[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596595661 459690002 /nfs/dbraw/zinc/69/00/02/459690002.db2.gz ULCCLOQWTWHPTJ-FQEVSTJZSA-N 1 3 344.499 3.172 10 0 EGAEHO CCOc1cc(CNC2CCC(C[NH+](C)C)CC2)c(F)cc1OC ZINC000527680849 459698078 /nfs/dbraw/zinc/69/80/78/459698078.db2.gz DLDDVGCKAIGUAQ-UHFFFAOYSA-N 1 3 338.467 3.443 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000527988516 459789138 /nfs/dbraw/zinc/78/91/38/459789138.db2.gz SWRXNONBILVABL-VQIMIIECSA-N 1 3 331.504 3.265 10 0 EGAEHO COc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1Br ZINC000623394408 460525483 /nfs/dbraw/zinc/52/54/83/460525483.db2.gz DPAABZJJMOJZAZ-CYBMUJFWSA-N 1 3 341.293 3.420 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423833 460540771 /nfs/dbraw/zinc/54/07/71/460540771.db2.gz TVZYSCXMNCVMKX-SJORKVTESA-N 1 3 331.504 3.126 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623423833 460540777 /nfs/dbraw/zinc/54/07/77/460540777.db2.gz TVZYSCXMNCVMKX-SJORKVTESA-N 1 3 331.504 3.126 10 0 EGAEHO Fc1c(Br)ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000629532392 460797978 /nfs/dbraw/zinc/79/79/78/460797978.db2.gz YPYHLTXJUBADRQ-MVWJERBFSA-N 1 3 345.231 3.205 10 0 EGAEHO CC[C@@H](NCCOCC[NH2+]C)c1ccc(Br)cc1Cl ZINC000629530766 460798287 /nfs/dbraw/zinc/79/82/87/460798287.db2.gz QLVWESJNHBELPF-CQSZACIVSA-N 1 3 349.700 3.379 10 0 EGAEHO Cc1cccc([C@@H]([NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)C(C)C)c1 ZINC000629574261 460813650 /nfs/dbraw/zinc/81/36/50/460813650.db2.gz DLLGWIFOIIQXDP-ACRUOGEOSA-N 1 3 326.484 3.213 10 0 EGAEHO Cc1cccc([C@@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)C)c1 ZINC000629574261 460813656 /nfs/dbraw/zinc/81/36/56/460813656.db2.gz DLLGWIFOIIQXDP-ACRUOGEOSA-N 1 3 326.484 3.213 10 0 EGAEHO C[NH2+][C@@H](CO)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1 ZINC000629703144 460877111 /nfs/dbraw/zinc/87/71/11/460877111.db2.gz ZWXCDGLKRLFHEF-FQEVSTJZSA-N 1 3 328.431 3.341 10 0 EGAEHO CN(CCN1CC[NH+](C[C@@]2(C)CCCS2)CC1)Cc1ccccc1 ZINC000628163667 461026917 /nfs/dbraw/zinc/02/69/17/461026917.db2.gz NATWEEBMDIXGNS-HXUWFJFHSA-N 1 3 347.572 3.022 10 0 EGAEHO C[C@H](c1cccc(C(F)(F)F)c1)N(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251064 461145450 /nfs/dbraw/zinc/14/54/50/461145450.db2.gz XIIBRAWZVIEXHF-IUODEOHRSA-N 1 3 328.378 3.219 10 0 EGAEHO CC(C)[C@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280055 461162624 /nfs/dbraw/zinc/16/26/24/461162624.db2.gz BXDSYFNLKRIEJM-BBRMVZONSA-N 1 3 326.843 3.287 10 0 EGAEHO c1ccc(C[C@@H]2c3ccccc3CC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662279513 461163693 /nfs/dbraw/zinc/16/36/93/461163693.db2.gz KUANLRCBOXZTHJ-RBBKRZOGSA-N 1 3 348.490 3.350 10 0 EGAEHO c1ccc(C[C@@H]2c3ccccc3CC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662279513 461163699 /nfs/dbraw/zinc/16/36/99/461163699.db2.gz KUANLRCBOXZTHJ-RBBKRZOGSA-N 1 3 348.490 3.350 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCSc3ccc(F)cc3)CC2)C1 ZINC000662282429 461166411 /nfs/dbraw/zinc/16/64/11/461166411.db2.gz UUCZGFUYQWAQKI-SJLPKXTDSA-N 1 3 338.492 3.136 10 0 EGAEHO c1ccc(N2CC[C@H](C[N@H+]3CC[C@@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122057 461256564 /nfs/dbraw/zinc/25/65/64/461256564.db2.gz KJAFNZBQZOUCJE-VQTJNVASSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122057 461256568 /nfs/dbraw/zinc/25/65/68/461256568.db2.gz KJAFNZBQZOUCJE-VQTJNVASSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@H](CN3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122057 461256574 /nfs/dbraw/zinc/25/65/74/461256574.db2.gz KJAFNZBQZOUCJE-VQTJNVASSA-N 1 3 327.516 3.321 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3CC4(C3)CCCCC4)cc2)C1 ZINC000668490586 461302879 /nfs/dbraw/zinc/30/28/79/461302879.db2.gz XWNFSXHGQSNFAF-HXUWFJFHSA-N 1 3 328.500 3.456 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(C)(C)CC)CC2)CC1 ZINC000633968575 461362574 /nfs/dbraw/zinc/36/25/74/461362574.db2.gz OYSWGZXTKCVCLU-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](O)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668686918 461383009 /nfs/dbraw/zinc/38/30/09/461383009.db2.gz AMKQYQXXGRXPNC-NHCUHLMSSA-N 1 3 339.483 3.398 10 0 EGAEHO CSc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000659974996 461525864 /nfs/dbraw/zinc/52/58/64/461525864.db2.gz SVMOUOHEDNYHDI-UHFFFAOYSA-N 1 3 334.529 3.485 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCCc3c(F)cccc3F)CC2)C1 ZINC000655940654 461547509 /nfs/dbraw/zinc/54/75/09/461547509.db2.gz VHXASQAJLBZQQP-DNVCBOLYSA-N 1 3 338.442 3.116 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647228986 461575561 /nfs/dbraw/zinc/57/55/61/461575561.db2.gz HDJKMOTWNGKWGN-OAQYLSRUSA-N 1 3 336.479 3.466 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647228986 461575567 /nfs/dbraw/zinc/57/55/67/461575567.db2.gz HDJKMOTWNGKWGN-OAQYLSRUSA-N 1 3 336.479 3.466 10 0 EGAEHO Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647248816 461589784 /nfs/dbraw/zinc/58/97/84/461589784.db2.gz IHNFGSZBNDLTMG-MOPGFXCFSA-N 1 3 334.467 3.078 10 0 EGAEHO Cc1scc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1C ZINC000631162744 461601248 /nfs/dbraw/zinc/60/12/48/461601248.db2.gz GCRXMBKWZCYEKD-UHFFFAOYSA-N 1 3 344.524 3.482 10 0 EGAEHO COC[C@H](CC(C)(C)C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201267 461646440 /nfs/dbraw/zinc/64/64/40/461646440.db2.gz MTQIZKJPYANQDQ-VPWXQRGCSA-N 1 3 332.488 3.283 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786532 461898488 /nfs/dbraw/zinc/89/84/88/461898488.db2.gz UDDPEWIVUIKHEY-MRXNPFEDSA-N 1 3 342.512 3.417 10 0 EGAEHO C[NH+]1CCC2(CC1)CN(CCc1ccc(C(C)(C)C)cc1)CCO2 ZINC000648071980 461968497 /nfs/dbraw/zinc/96/84/97/461968497.db2.gz FKYSOASWYOYIAR-UHFFFAOYSA-N 1 3 330.516 3.323 10 0 EGAEHO Cc1ccc2cc(CNC3CC[NH+](CCOC(C)C)CC3)[nH]c2c1 ZINC000657382105 462085008 /nfs/dbraw/zinc/08/50/08/462085008.db2.gz ANDLQJZKHJMXAZ-UHFFFAOYSA-N 1 3 329.488 3.455 10 0 EGAEHO C[C@H]1C[C@H]1c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536903 462171694 /nfs/dbraw/zinc/17/16/94/462171694.db2.gz TYCYKNUZNMFBFP-HNAYVOBHSA-N 1 3 332.488 3.384 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000657597025 462199326 /nfs/dbraw/zinc/19/93/26/462199326.db2.gz QTVQONXEHDBIIN-KKSFZXQISA-N 1 3 342.458 3.286 10 0 EGAEHO Cc1nn(C)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772305 462259132 /nfs/dbraw/zinc/25/91/32/462259132.db2.gz LQLNDRCQHHORFZ-FQEVSTJZSA-N 1 3 338.499 3.120 10 0 EGAEHO CC1(C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000658036983 462353685 /nfs/dbraw/zinc/35/36/85/462353685.db2.gz SSAQXLRMMMCXNT-HSALFYBXSA-N 1 3 342.527 3.428 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658053959 462360061 /nfs/dbraw/zinc/36/00/61/462360061.db2.gz CDZBJFWDAAHRBV-DFQSSKMNSA-N 1 3 329.532 3.359 10 0 EGAEHO Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658109792 462390346 /nfs/dbraw/zinc/39/03/46/462390346.db2.gz XOQKTZMKEJECQM-GJZGRUSLSA-N 1 3 340.581 3.498 10 0 EGAEHO CC1(C)[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)[C@@H]2CCC[C@@H]21 ZINC000658137403 462400069 /nfs/dbraw/zinc/40/00/69/462400069.db2.gz KRSRCVSQJJVPAO-ZGXWSNOMSA-N 1 3 328.500 3.168 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143125 462405216 /nfs/dbraw/zinc/40/52/16/462405216.db2.gz WSZXKIPRODJPJI-UTKZUKDTSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143125 462405221 /nfs/dbraw/zinc/40/52/21/462405221.db2.gz WSZXKIPRODJPJI-UTKZUKDTSA-N 1 3 340.442 3.169 10 0 EGAEHO Cc1nc(C)c([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658143214 462407125 /nfs/dbraw/zinc/40/71/25/462407125.db2.gz XRUUNNDLIRSCEH-UGSOOPFHSA-N 1 3 345.512 3.177 10 0 EGAEHO Cc1nc(C)c([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658143214 462407131 /nfs/dbraw/zinc/40/71/31/462407131.db2.gz XRUUNNDLIRSCEH-UGSOOPFHSA-N 1 3 345.512 3.177 10 0 EGAEHO CN1CCC[N@H+](CCCN[C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000652150395 462451683 /nfs/dbraw/zinc/45/16/83/462451683.db2.gz VFLXILLKRNPOTE-INIZCTEOSA-N 1 3 339.886 3.084 10 0 EGAEHO CN1CCC[N@@H+](CCCN[C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000652150395 462451687 /nfs/dbraw/zinc/45/16/87/462451687.db2.gz VFLXILLKRNPOTE-INIZCTEOSA-N 1 3 339.886 3.084 10 0 EGAEHO Cc1c(C)c(C)c(C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)c(C)c1C ZINC000662159398 462532889 /nfs/dbraw/zinc/53/28/89/462532889.db2.gz ZRFYEJRNMTYVGZ-HXUWFJFHSA-N 1 3 330.516 3.260 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130484036 529143806 /nfs/dbraw/zinc/14/38/06/529143806.db2.gz HFNOPCVMNUXISO-SFTDATJTSA-N 1 3 329.532 3.330 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC(F)F ZINC000353439802 536897452 /nfs/dbraw/zinc/89/74/52/536897452.db2.gz IXCXNFHJWRFDMM-RRFJBIMHSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC(F)F ZINC000353439802 536897454 /nfs/dbraw/zinc/89/74/54/536897454.db2.gz IXCXNFHJWRFDMM-RRFJBIMHSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1OC(F)F ZINC000353439802 536897457 /nfs/dbraw/zinc/89/74/57/536897457.db2.gz IXCXNFHJWRFDMM-RRFJBIMHSA-N 1 3 340.414 3.259 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000166698070 546990069 /nfs/dbraw/zinc/99/00/69/546990069.db2.gz DXWSEZKRTLFARP-YWTNHNAXSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000166698070 546990071 /nfs/dbraw/zinc/99/00/71/546990071.db2.gz DXWSEZKRTLFARP-YWTNHNAXSA-N 1 3 333.545 3.347 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000340474452 547581571 /nfs/dbraw/zinc/58/15/71/547581571.db2.gz RVWXSJOQTHLLSQ-YLJYHZDGSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000340474452 547581576 /nfs/dbraw/zinc/58/15/76/547581576.db2.gz RVWXSJOQTHLLSQ-YLJYHZDGSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3cnccc3c2)C1 ZINC000683833261 550267058 /nfs/dbraw/zinc/26/70/58/550267058.db2.gz VKNOLCVDWAKDSA-FQEVSTJZSA-N 1 3 327.472 3.168 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000235318801 1296185046 /nfs/dbraw/zinc/18/50/46/1296185046.db2.gz MUNBEGOVTVEYGX-NFAWXSAZSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000235318801 1296185053 /nfs/dbraw/zinc/18/50/53/1296185053.db2.gz MUNBEGOVTVEYGX-NFAWXSAZSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000235318801 1296185056 /nfs/dbraw/zinc/18/50/56/1296185056.db2.gz MUNBEGOVTVEYGX-NFAWXSAZSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C[C@H](C)O1 ZINC000872044536 1296695177 /nfs/dbraw/zinc/69/51/77/1296695177.db2.gz BZJNMNRUPMTYJG-XMTFNYHQSA-N 1 3 326.525 3.059 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@H](C)O1 ZINC000872044535 1296695685 /nfs/dbraw/zinc/69/56/85/1296695685.db2.gz BZJNMNRUPMTYJG-XDNAFOTISA-N 1 3 326.525 3.059 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709994713 1298254020 /nfs/dbraw/zinc/25/40/20/1298254020.db2.gz DSKFECRMPSGLQX-WMLDXEAASA-N 1 3 337.305 3.456 10 0 EGAEHO c1ccc2c(c1)CC[N@@H+](CCCNCc1cccc3c1CCOC3)C2 ZINC000882882878 1302147198 /nfs/dbraw/zinc/14/71/98/1302147198.db2.gz FIFNOTWPKDVJCG-UHFFFAOYSA-N 1 3 336.479 3.297 10 0 EGAEHO c1ccc2c(c1)CC[N@H+](CCCNCc1cccc3c1CCOC3)C2 ZINC000882882878 1302147204 /nfs/dbraw/zinc/14/72/04/1302147204.db2.gz FIFNOTWPKDVJCG-UHFFFAOYSA-N 1 3 336.479 3.297 10 0 EGAEHO C[C@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc[nH]1 ZINC000894366047 1306361841 /nfs/dbraw/zinc/36/18/41/1306361841.db2.gz KKPLNCJYYIEJFB-NSHDSACASA-N 1 3 337.370 3.249 10 0 EGAEHO COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894740186 1309045618 /nfs/dbraw/zinc/04/56/18/1309045618.db2.gz FZYQPGQXNPYJMV-FHWLQOOXSA-N 1 3 344.499 3.218 10 0 EGAEHO Cc1ccc(C2=NO[C@H](C[NH2+][C@@H]3CCN(C)C(C)(C)C3)C2)cc1C ZINC000895501639 1309375287 /nfs/dbraw/zinc/37/52/87/1309375287.db2.gz INXJYOHNIXXDQO-MSOLQXFVSA-N 1 3 329.488 3.259 10 0 EGAEHO CC1CC[NH+](Cc2cccc(CNCc3cc[nH]c(=O)c3)c2)CC1 ZINC000921689983 1322378739 /nfs/dbraw/zinc/37/87/39/1322378739.db2.gz XERFWWJKCWGUAT-UHFFFAOYSA-N 1 3 325.456 3.309 10 0 EGAEHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3ccccc3o1)C2 ZINC000922388030 1322516354 /nfs/dbraw/zinc/51/63/54/1322516354.db2.gz NQFWOTWGGNBOJK-HNBVOPMISA-N 1 3 328.456 3.002 10 0 EGAEHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3ccccc3o1)C2 ZINC000922388030 1322516363 /nfs/dbraw/zinc/51/63/63/1322516363.db2.gz NQFWOTWGGNBOJK-HNBVOPMISA-N 1 3 328.456 3.002 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924663060 1323101662 /nfs/dbraw/zinc/10/16/62/1323101662.db2.gz UJCNNZBGXHSXSY-CYBMUJFWSA-N 1 3 349.466 3.445 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000924941577 1323223355 /nfs/dbraw/zinc/22/33/55/1323223355.db2.gz YJEYORUAJFPFQU-FCEUIQTBSA-N 1 3 342.527 3.346 10 0 EGAEHO C[NH+](C)C1(C)CCN(C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000931355513 1329101153 /nfs/dbraw/zinc/10/11/53/1329101153.db2.gz SUNXWQKJPOYILM-CVEARBPZSA-N 1 3 339.524 3.096 10 0 EGAEHO CN(C)C1(C)CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000931355513 1329101157 /nfs/dbraw/zinc/10/11/57/1329101157.db2.gz SUNXWQKJPOYILM-CVEARBPZSA-N 1 3 339.524 3.096 10 0 EGAEHO CC1(C)[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492747 1325174936 /nfs/dbraw/zinc/17/49/36/1325174936.db2.gz ICOLWZBBMSWLRA-XYVMCAHJSA-N 1 3 333.545 3.251 10 0 EGAEHO COc1ccccc1[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500496 1325179466 /nfs/dbraw/zinc/17/94/66/1325179466.db2.gz CYLQJWLIMOYAQM-SCTDSRPQSA-N 1 3 345.531 3.328 10 0 EGAEHO COc1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1OC(F)F ZINC000925510897 1325184782 /nfs/dbraw/zinc/18/47/82/1325184782.db2.gz BHOGMOXXLLWUFQ-QWHCGFSZSA-N 1 3 328.403 3.292 10 0 EGAEHO C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515996 1325186757 /nfs/dbraw/zinc/18/67/57/1325186757.db2.gz QWSDUFOPWYIHCA-UGFHNGPFSA-N 1 3 339.277 3.076 10 0 EGAEHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515995 1325187207 /nfs/dbraw/zinc/18/72/07/1325187207.db2.gz QWSDUFOPWYIHCA-KCPJHIHWSA-N 1 3 339.277 3.076 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925524344 1325189771 /nfs/dbraw/zinc/18/97/71/1325189771.db2.gz RQVUYZGTIRABTO-BPQIPLTHSA-N 1 3 332.488 3.220 10 0 EGAEHO FC(F)(F)c1csc(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925524986 1325190400 /nfs/dbraw/zinc/19/04/00/1325190400.db2.gz CVGUGYVOPAAGBB-QWHCGFSZSA-N 1 3 347.450 3.462 10 0 EGAEHO [NH3+][C@H]1C[C@@H](NCC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594269 1325225334 /nfs/dbraw/zinc/22/53/34/1325225334.db2.gz QDSLWMCOSWIOHD-DLBZAZTESA-N 1 3 334.891 3.248 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000925601701 1325228098 /nfs/dbraw/zinc/22/80/98/1325228098.db2.gz NCVRZTBQNAFZSF-LSDHHAIUSA-N 1 3 348.878 3.428 10 0 EGAEHO CC1(C)[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925648095 1325246162 /nfs/dbraw/zinc/24/61/62/1325246162.db2.gz OJYRCMFPDQTGHP-BRIYLRKRSA-N 1 3 332.463 3.412 10 0 EGAEHO CC1(C)[C@H](N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648095 1325246171 /nfs/dbraw/zinc/24/61/71/1325246171.db2.gz OJYRCMFPDQTGHP-BRIYLRKRSA-N 1 3 332.463 3.412 10 0 EGAEHO [NH3+][C@H]1C[C@@H](NCCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658282 1325251682 /nfs/dbraw/zinc/25/16/82/1325251682.db2.gz WHUULOFQISPSRJ-LSDHHAIUSA-N 1 3 328.378 3.030 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC2 ZINC000925658082 1325252160 /nfs/dbraw/zinc/25/21/60/1325252160.db2.gz NCLYNLXJBUJZBO-CEXWTWQISA-N 1 3 330.520 3.079 10 0 EGAEHO OC[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728722 1325271854 /nfs/dbraw/zinc/27/18/54/1325271854.db2.gz HBKUSOTWXUWZDU-UHOSZYNNSA-N 1 3 336.907 3.174 10 0 EGAEHO OC[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728722 1325271861 /nfs/dbraw/zinc/27/18/61/1325271861.db2.gz HBKUSOTWXUWZDU-UHOSZYNNSA-N 1 3 336.907 3.174 10 0 EGAEHO Cc1cccc(NC(=O)C[C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000925840169 1325323346 /nfs/dbraw/zinc/32/33/46/1325323346.db2.gz HPIPDCGLSXIIDQ-XFQXTVEOSA-N 1 3 329.488 3.142 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865415894 1329694146 /nfs/dbraw/zinc/69/41/46/1329694146.db2.gz QJRIVLWEZFPTDT-GASCZTMLSA-N 1 3 331.460 3.381 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865415894 1329694147 /nfs/dbraw/zinc/69/41/47/1329694147.db2.gz QJRIVLWEZFPTDT-GASCZTMLSA-N 1 3 331.460 3.381 10 0 EGAEHO COc1cncc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1C ZINC000865555363 1329713226 /nfs/dbraw/zinc/71/32/26/1329713226.db2.gz YHGXNODNEZIWCU-OAQYLSRUSA-N 1 3 339.483 3.400 10 0 EGAEHO CC(C)(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001323671082 1387421274 /nfs/dbraw/zinc/42/12/74/1387421274.db2.gz YUERQUTWFGSIEO-YQQQUEKLSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)=CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CCCCCC1 ZINC001323723211 1387432851 /nfs/dbraw/zinc/43/28/51/1387432851.db2.gz WDKUSTLWQXBEJM-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)=CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CCCCCC1 ZINC001323723211 1387432854 /nfs/dbraw/zinc/43/28/54/1387432854.db2.gz WDKUSTLWQXBEJM-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001324097975 1387541127 /nfs/dbraw/zinc/54/11/27/1387541127.db2.gz OCKGNVPXJBMZKY-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO COc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)ccc1F ZINC001118264989 1371154779 /nfs/dbraw/zinc/15/47/79/1371154779.db2.gz QMMFWTQCBUVLRP-MSOLQXFVSA-N 1 3 328.431 3.269 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC001326470233 1388206141 /nfs/dbraw/zinc/20/61/41/1388206141.db2.gz ZGHSJOACRFDFKX-XLIONFOSSA-N 1 3 345.531 3.484 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001326542136 1388235702 /nfs/dbraw/zinc/23/57/02/1388235702.db2.gz RQONFIURXUJBTJ-SZMVWBNQSA-N 1 3 337.552 3.027 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001264122069 1377140061 /nfs/dbraw/zinc/14/00/61/1377140061.db2.gz FUFSKVJGENOSFF-RBUKOAKNSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1)N(C)C ZINC001266223098 1377234453 /nfs/dbraw/zinc/23/44/53/1377234453.db2.gz JBWFCFIQTCVOPR-WOJBJXKFSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccc(C)c1)N(C)C ZINC001266223098 1377234455 /nfs/dbraw/zinc/23/44/55/1377234455.db2.gz JBWFCFIQTCVOPR-WOJBJXKFSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240219 1377243016 /nfs/dbraw/zinc/24/30/16/1377243016.db2.gz RDCXAWIJEFTTAF-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240219 1377243018 /nfs/dbraw/zinc/24/30/18/1377243018.db2.gz RDCXAWIJEFTTAF-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCC(C)C)CC2)CC1 ZINC001136898806 1377437765 /nfs/dbraw/zinc/43/77/65/1377437765.db2.gz ZDYRUPKYQZJHSG-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001268164539 1377490550 /nfs/dbraw/zinc/49/05/50/1377490550.db2.gz AOZKEVUABHJGAZ-LJQANCHMSA-N 1 3 349.494 3.027 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001275768220 1378156572 /nfs/dbraw/zinc/15/65/72/1378156572.db2.gz NTLWBZQFSFPFEQ-FDICQLOXSA-N 1 3 335.536 3.092 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c(C)c1 ZINC001283937190 1379287240 /nfs/dbraw/zinc/28/72/40/1379287240.db2.gz ATCRZHYBIKBSOX-QUCCMNQESA-N 1 3 345.531 3.031 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001283938783 1379288499 /nfs/dbraw/zinc/28/84/99/1379288499.db2.gz JXQSKCVVFQWOGK-FXAWDEMLSA-N 1 3 345.531 3.229 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001328288343 1388717412 /nfs/dbraw/zinc/71/74/12/1388717412.db2.gz ZJUMFABUEHMENS-QFBILLFUSA-N 1 3 349.494 3.027 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291944844 1382162775 /nfs/dbraw/zinc/16/27/75/1382162775.db2.gz FGEWALDSKJCWEG-NSHGMRRFSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001291944844 1382162776 /nfs/dbraw/zinc/16/27/76/1382162776.db2.gz FGEWALDSKJCWEG-NSHGMRRFSA-N 1 3 343.515 3.012 10 0 EGAEHO CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001328588706 1388784795 /nfs/dbraw/zinc/78/47/95/1388784795.db2.gz XYEXTTQJGWEVJY-RURPWVQCSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001328588706 1388784797 /nfs/dbraw/zinc/78/47/97/1388784797.db2.gz XYEXTTQJGWEVJY-RURPWVQCSA-N 1 3 349.563 3.245 10 0 EGAEHO CC[C@@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001328869540 1388891647 /nfs/dbraw/zinc/89/16/47/1388891647.db2.gz QEMXXOUDNWMCOK-NKELODKYSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001316624835 1384490466 /nfs/dbraw/zinc/49/04/66/1384490466.db2.gz OSXGSQMYLHITJZ-ZSYWTGECSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668657 1384513444 /nfs/dbraw/zinc/51/34/44/1384513444.db2.gz JUPLDZCKDMHBGS-MSOLQXFVSA-N 1 3 337.552 3.076 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001316772882 1384571117 /nfs/dbraw/zinc/57/11/17/1384571117.db2.gz LWBZDKCGMLHEKJ-XAVKZTDYSA-N 1 3 343.943 3.078 10 0 EGAEHO CC(C)(C(=O)NCCC[N@H+](CC1CCC1)C1CC1)N1CCCCC1 ZINC001316915244 1384685947 /nfs/dbraw/zinc/68/59/47/1384685947.db2.gz OYWSCONPGCNEEM-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NCCC[N@@H+](CC1CCC1)C1CC1)N1CCCCC1 ZINC001316915244 1384685952 /nfs/dbraw/zinc/68/59/52/1384685952.db2.gz OYWSCONPGCNEEM-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001317164641 1384927515 /nfs/dbraw/zinc/92/75/15/1384927515.db2.gz ZGVCXRRVYRZHQF-WOJBJXKFSA-N 1 3 349.563 3.291 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207711 1384982790 /nfs/dbraw/zinc/98/27/90/1384982790.db2.gz WJWRCZXMMBWCDE-RDJZCZTQSA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207711 1384982795 /nfs/dbraw/zinc/98/27/95/1384982795.db2.gz WJWRCZXMMBWCDE-RDJZCZTQSA-N 1 3 334.508 3.058 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001317437858 1385140424 /nfs/dbraw/zinc/14/04/24/1385140424.db2.gz YCIPUFZRYFYTDL-ICSRJNTNSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001317437858 1385140425 /nfs/dbraw/zinc/14/04/25/1385140425.db2.gz YCIPUFZRYFYTDL-ICSRJNTNSA-N 1 3 347.547 3.189 10 0 EGAEHO CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001319008747 1385922387 /nfs/dbraw/zinc/92/23/87/1385922387.db2.gz KIRLWWOMKBNDGW-PXNSSMCTSA-N 1 3 345.531 3.313 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001319542197 1386171055 /nfs/dbraw/zinc/17/10/55/1386171055.db2.gz ZGTIUUXRJQUACS-SJLPKXTDSA-N 1 3 325.541 3.122 10 0 EGAEHO CCc1ccccc1CN(C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320084249 1386500617 /nfs/dbraw/zinc/50/06/17/1386500617.db2.gz FWZMSOSRDIJJSB-ROUUACIJSA-N 1 3 345.531 3.012 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416819 1386604297 /nfs/dbraw/zinc/60/42/97/1386604297.db2.gz WMBYHFILKQKTQP-SJORKVTESA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280974 1387136778 /nfs/dbraw/zinc/13/67/78/1387136778.db2.gz LLGHPAXAPYJTLG-UZLBHIALSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280974 1387136782 /nfs/dbraw/zinc/13/67/82/1387136782.db2.gz LLGHPAXAPYJTLG-UZLBHIALSA-N 1 3 345.531 3.087 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001698707000 1406348829 /nfs/dbraw/zinc/34/88/29/1406348829.db2.gz GSGFEENEZYCFTD-RTLRUIJZSA-N 1 3 335.536 3.233 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC=C(C)C)CC1 ZINC001329256318 1389037236 /nfs/dbraw/zinc/03/72/36/1389037236.db2.gz AZLPHBUYEUXZPO-ACBHZAAOSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001331559024 1389798713 /nfs/dbraw/zinc/79/87/13/1389798713.db2.gz CTWRDVHSIRLTQV-APWZRJJASA-N 1 3 343.531 3.072 10 0 EGAEHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCCC(C)(C)C ZINC001331561237 1389799477 /nfs/dbraw/zinc/79/94/77/1389799477.db2.gz PWYQNVCIGFOADJ-MRXNPFEDSA-N 1 3 327.557 3.227 10 0 EGAEHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]2C1)C1CCC1 ZINC001332141748 1390005560 /nfs/dbraw/zinc/00/55/60/1390005560.db2.gz SSWDWFYGQXVBFG-QXAKKESOSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001332900244 1390212703 /nfs/dbraw/zinc/21/27/03/1390212703.db2.gz TXRSSMVLWVOELO-IAGOWNOFSA-N 1 3 325.541 3.026 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001333459128 1390309086 /nfs/dbraw/zinc/30/90/86/1390309086.db2.gz YJUSCZYFSXQHJV-HDICACEKSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001333459128 1390309091 /nfs/dbraw/zinc/30/90/91/1390309091.db2.gz YJUSCZYFSXQHJV-HDICACEKSA-N 1 3 335.536 3.044 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049938 1390467516 /nfs/dbraw/zinc/46/75/16/1390467516.db2.gz VKTPEDJBCZEFNP-JXXFODFXSA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)O2 ZINC001334049938 1390467518 /nfs/dbraw/zinc/46/75/18/1390467518.db2.gz VKTPEDJBCZEFNP-JXXFODFXSA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C3CCC3)C1)O2 ZINC001334049938 1390467521 /nfs/dbraw/zinc/46/75/21/1390467521.db2.gz VKTPEDJBCZEFNP-JXXFODFXSA-N 1 3 344.499 3.241 10 0 EGAEHO CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001479685054 1392318076 /nfs/dbraw/zinc/31/80/76/1392318076.db2.gz AXAJUHSUMNMPCW-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001479815300 1392407657 /nfs/dbraw/zinc/40/76/57/1392407657.db2.gz GFNFMNOKVWLYKZ-ICSRJNTNSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001479815300 1392407661 /nfs/dbraw/zinc/40/76/61/1392407661.db2.gz GFNFMNOKVWLYKZ-ICSRJNTNSA-N 1 3 345.531 3.369 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479821018 1392411734 /nfs/dbraw/zinc/41/17/34/1392411734.db2.gz DHIDGWQKMIDHBV-FXAWDEMLSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001479896582 1392465228 /nfs/dbraw/zinc/46/52/28/1392465228.db2.gz YGJIDERPZFCCDT-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963501 1392498984 /nfs/dbraw/zinc/49/89/84/1392498984.db2.gz IIFHOXBBNJTTNJ-OALUTQOASA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963501 1392498985 /nfs/dbraw/zinc/49/89/85/1392498985.db2.gz IIFHOXBBNJTTNJ-OALUTQOASA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085158 1392575141 /nfs/dbraw/zinc/57/51/41/1392575141.db2.gz QBDKFABXYDDITM-IRXDYDNUSA-N 1 3 349.494 3.009 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001480403682 1392742053 /nfs/dbraw/zinc/74/20/53/1392742053.db2.gz RYYNFWMOKUFVDM-MHJFOBGBSA-N 1 3 349.563 3.458 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@@H]1CCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001481136579 1393130151 /nfs/dbraw/zinc/13/01/51/1393130151.db2.gz IQLACZPKLJTHMR-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001481136579 1393130152 /nfs/dbraw/zinc/13/01/52/1393130152.db2.gz IQLACZPKLJTHMR-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001481194388 1393147403 /nfs/dbraw/zinc/14/74/03/1393147403.db2.gz HFVQIMUDFJBBCP-AZUAARDMSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CC1CCC1 ZINC001481350215 1393172984 /nfs/dbraw/zinc/17/29/84/1393172984.db2.gz GHCWKWMWYKLJTK-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CC1CCC1 ZINC001481350215 1393172986 /nfs/dbraw/zinc/17/29/86/1393172986.db2.gz GHCWKWMWYKLJTK-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1ccccc1 ZINC001490331853 1393175102 /nfs/dbraw/zinc/17/51/02/1393175102.db2.gz ZCOZPRJAQVIENO-KRWDZBQOSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1ccccc1 ZINC001490331853 1393175103 /nfs/dbraw/zinc/17/51/03/1393175103.db2.gz ZCOZPRJAQVIENO-KRWDZBQOSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001698923007 1406658388 /nfs/dbraw/zinc/65/83/88/1406658388.db2.gz KIUCBUATLQVEMN-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481509362 1394357960 /nfs/dbraw/zinc/35/79/60/1394357960.db2.gz OQOGJDVRZNLEFU-LJQANCHMSA-N 1 3 345.531 3.188 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481509362 1394357963 /nfs/dbraw/zinc/35/79/63/1394357963.db2.gz OQOGJDVRZNLEFU-LJQANCHMSA-N 1 3 345.531 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001491681282 1394525466 /nfs/dbraw/zinc/52/54/66/1394525466.db2.gz CVJKBFFWMDQPLN-IAGOWNOFSA-N 1 3 341.499 3.335 10 0 EGAEHO CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001698955893 1406703216 /nfs/dbraw/zinc/70/32/16/1406703216.db2.gz CXLLDXFIDCJLPV-IBGZPJMESA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001698955893 1406703220 /nfs/dbraw/zinc/70/32/20/1406703220.db2.gz CXLLDXFIDCJLPV-IBGZPJMESA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481964093 1394625418 /nfs/dbraw/zinc/62/54/18/1394625418.db2.gz OGISXPBJOXRSTG-NQIIRXRSSA-N 1 3 349.563 3.482 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001482006871 1394666705 /nfs/dbraw/zinc/66/67/05/1394666705.db2.gz KDQYHVJHYXNFFT-FQEVSTJZSA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001482369535 1394932325 /nfs/dbraw/zinc/93/23/25/1394932325.db2.gz NDPMYMDZCNCDCR-GJZGRUSLSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCC(C)(C)C ZINC001698970566 1406734032 /nfs/dbraw/zinc/73/40/32/1406734032.db2.gz ACPISEMNNAMGNT-MRXNPFEDSA-N 1 3 327.557 3.131 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001483847163 1395113588 /nfs/dbraw/zinc/11/35/88/1395113588.db2.gz GCVMJWNELMLWTR-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001483847163 1395113592 /nfs/dbraw/zinc/11/35/92/1395113592.db2.gz GCVMJWNELMLWTR-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C)CC1 ZINC001484132450 1395271408 /nfs/dbraw/zinc/27/14/08/1395271408.db2.gz RVGMWAUKTABJKY-IPLHWJFFSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001484562186 1395448199 /nfs/dbraw/zinc/44/81/99/1395448199.db2.gz XHZPYSSPEBAPDS-DLBZAZTESA-N 1 3 343.515 3.095 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218221 1395713848 /nfs/dbraw/zinc/71/38/48/1395713848.db2.gz VVSWNIUICBWTPZ-SJORKVTESA-N 1 3 347.547 3.309 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001486090015 1396176693 /nfs/dbraw/zinc/17/66/93/1396176693.db2.gz FFYBQQRSBRSZOH-OXUXSNCKSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001486090016 1396176727 /nfs/dbraw/zinc/17/67/27/1396176727.db2.gz FFYBQQRSBRSZOH-PWBPZBFBSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCN(C)[C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877988 1396327831 /nfs/dbraw/zinc/32/78/31/1396327831.db2.gz FHGQPUVMRWZXOW-APWZRJJASA-N 1 3 349.494 3.055 10 0 EGAEHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC2(CCC2)C1 ZINC001492951483 1396329531 /nfs/dbraw/zinc/32/95/31/1396329531.db2.gz CYPLJDDEICUEST-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC2(CCC2)C1 ZINC001492951483 1396329532 /nfs/dbraw/zinc/32/95/32/1396329532.db2.gz CYPLJDDEICUEST-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159177 1396390333 /nfs/dbraw/zinc/39/03/33/1396390333.db2.gz IEADSCHZVDQCPU-UYAOXDASSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159177 1396390338 /nfs/dbraw/zinc/39/03/38/1396390338.db2.gz IEADSCHZVDQCPU-UYAOXDASSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001496359898 1396666354 /nfs/dbraw/zinc/66/63/54/1396666354.db2.gz RYYRKZUHQIYGJZ-ZWKOTPCHSA-N 1 3 339.568 3.227 10 0 EGAEHO CCc1ncc(C(=O)NCC=CC[NH2+]C2CCc3ccccc32)s1 ZINC001497767005 1396838190 /nfs/dbraw/zinc/83/81/90/1396838190.db2.gz VOWAKMXBNAPEOS-JFDDCEBESA-N 1 3 341.480 3.269 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001689197966 1396968348 /nfs/dbraw/zinc/96/83/48/1396968348.db2.gz KUVACJZKEWGPIV-XUVXKRRUSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)CC[N@H+]1CC1CCC1 ZINC001689197966 1396968352 /nfs/dbraw/zinc/96/83/52/1396968352.db2.gz KUVACJZKEWGPIV-XUVXKRRUSA-N 1 3 349.563 3.266 10 0 EGAEHO CCc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001689891130 1404187422 /nfs/dbraw/zinc/18/74/22/1404187422.db2.gz QOFHNPYULJGUST-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO CCc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001689891130 1404187424 /nfs/dbraw/zinc/18/74/24/1404187424.db2.gz QOFHNPYULJGUST-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO CCc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001689891305 1404187468 /nfs/dbraw/zinc/18/74/68/1404187468.db2.gz WUDUPCLSAZTSRS-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO CCc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001689891305 1404187474 /nfs/dbraw/zinc/18/74/74/1404187474.db2.gz WUDUPCLSAZTSRS-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690199332 1404410137 /nfs/dbraw/zinc/41/01/37/1404410137.db2.gz PBTCWEJBJUCPSH-SLVIYJBESA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690199332 1404410138 /nfs/dbraw/zinc/41/01/38/1404410138.db2.gz PBTCWEJBJUCPSH-SLVIYJBESA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394379 1404536918 /nfs/dbraw/zinc/53/69/18/1404536918.db2.gz YRKLAXFXRVQCNO-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394379 1404536922 /nfs/dbraw/zinc/53/69/22/1404536922.db2.gz YRKLAXFXRVQCNO-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690778329 1404727667 /nfs/dbraw/zinc/72/76/67/1404727667.db2.gz XYYCORHULHDURZ-ZWKOTPCHSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001690788116 1404734589 /nfs/dbraw/zinc/73/45/89/1404734589.db2.gz OAUHYRUMSHJCHK-MSOLQXFVSA-N 1 3 346.519 3.248 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1)c1ccccc1 ZINC001691107994 1405048616 /nfs/dbraw/zinc/04/86/16/1405048616.db2.gz XUPBSBSJHCKLIV-LMMKCTJWSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001691172611 1405108148 /nfs/dbraw/zinc/10/81/48/1405108148.db2.gz LECDMGOEGTXYES-BZSNNMDCSA-N 1 3 337.552 3.170 10 0 EGAEHO CCCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001691628875 1405366537 /nfs/dbraw/zinc/36/65/37/1405366537.db2.gz DQBXXONPIYRAFV-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001691683241 1405419043 /nfs/dbraw/zinc/41/90/43/1405419043.db2.gz RIJDZIFFSKKASN-ZWKOTPCHSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691823835 1405540075 /nfs/dbraw/zinc/54/00/75/1405540075.db2.gz YNCYFSOXCPAIMT-MSOLQXFVSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691823835 1405540079 /nfs/dbraw/zinc/54/00/79/1405540079.db2.gz YNCYFSOXCPAIMT-MSOLQXFVSA-N 1 3 339.568 3.226 10 0 EGAEHO C[N@H+](CCC1=CCCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001692023104 1405742021 /nfs/dbraw/zinc/74/20/21/1405742021.db2.gz OAZOJQQIMTWEBX-UHFFFAOYSA-N 1 3 344.503 3.013 10 0 EGAEHO C[N@@H+](CCC1=CCCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001692023104 1405742025 /nfs/dbraw/zinc/74/20/25/1405742025.db2.gz OAZOJQQIMTWEBX-UHFFFAOYSA-N 1 3 344.503 3.013 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001692257573 1405884953 /nfs/dbraw/zinc/88/49/53/1405884953.db2.gz JCCQVSCXXAWWHU-ZBWOGFRMSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001692257573 1405884960 /nfs/dbraw/zinc/88/49/60/1405884960.db2.gz JCCQVSCXXAWWHU-ZBWOGFRMSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001692329390 1405947663 /nfs/dbraw/zinc/94/76/63/1405947663.db2.gz IBYSJZPWLDGPON-LAQIPUCWSA-N 1 3 332.492 3.059 10 0 EGAEHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580576 1406191816 /nfs/dbraw/zinc/19/18/16/1406191816.db2.gz DIMSZZMQEXQELP-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001698580576 1406191821 /nfs/dbraw/zinc/19/18/21/1406191821.db2.gz DIMSZZMQEXQELP-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001732082673 1428339272 /nfs/dbraw/zinc/33/92/72/1428339272.db2.gz DYUMAWYSEJCGCT-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCCC2)C1 ZINC001732082673 1428339274 /nfs/dbraw/zinc/33/92/74/1428339274.db2.gz DYUMAWYSEJCGCT-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085039 1428344425 /nfs/dbraw/zinc/34/44/25/1428344425.db2.gz YGVVQEKXPOYYPY-RTBURBONSA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085039 1428344429 /nfs/dbraw/zinc/34/44/29/1428344429.db2.gz YGVVQEKXPOYYPY-RTBURBONSA-N 1 3 345.531 3.177 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174768 1428419605 /nfs/dbraw/zinc/41/96/05/1428419605.db2.gz WIELYUUMYCZPIR-IRXDYDNUSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174768 1428419606 /nfs/dbraw/zinc/41/96/06/1428419606.db2.gz WIELYUUMYCZPIR-IRXDYDNUSA-N 1 3 325.541 3.076 10 0 EGAEHO CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732213335 1428461428 /nfs/dbraw/zinc/46/14/28/1428461428.db2.gz YBWZDUSIBMHMNE-VQIMIIECSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)N1CCCC1 ZINC001732311067 1428524078 /nfs/dbraw/zinc/52/40/78/1428524078.db2.gz KQSQXYIPEKNHGC-QAQDUYKDSA-N 1 3 341.515 3.018 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001732316208 1428527283 /nfs/dbraw/zinc/52/72/83/1428527283.db2.gz JZVUYRGFLNSOJJ-BUCWVBENSA-N 1 3 349.906 3.019 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001732316208 1428527284 /nfs/dbraw/zinc/52/72/84/1428527284.db2.gz JZVUYRGFLNSOJJ-BUCWVBENSA-N 1 3 349.906 3.019 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001732328697 1428535529 /nfs/dbraw/zinc/53/55/29/1428535529.db2.gz GIPHFKRHTQUTLP-WYNBNGFRSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001732397465 1428564542 /nfs/dbraw/zinc/56/45/42/1428564542.db2.gz WVSORBXELJYSSS-SFHVURJKSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001732491497 1428614188 /nfs/dbraw/zinc/61/41/88/1428614188.db2.gz QEUXZKWYCQMANA-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001699432669 1412751225 /nfs/dbraw/zinc/75/12/25/1412751225.db2.gz BMFAGCKJYWQXBZ-INIZCTEOSA-N 1 3 343.515 3.036 10 0 EGAEHO CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001699680367 1413074885 /nfs/dbraw/zinc/07/48/85/1413074885.db2.gz NVILNNVNAIDAJG-QQGXREIKSA-N 1 3 347.547 3.330 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001699806938 1413221402 /nfs/dbraw/zinc/22/14/02/1413221402.db2.gz WMPXQTYCKQUXIN-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001699806938 1413221403 /nfs/dbraw/zinc/22/14/03/1413221403.db2.gz WMPXQTYCKQUXIN-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001699852631 1413281913 /nfs/dbraw/zinc/28/19/13/1413281913.db2.gz DZETXXHLLSMVGS-UYAOXDASSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001699978987 1413424017 /nfs/dbraw/zinc/42/40/17/1413424017.db2.gz JJFIEKLSAXSASD-IYARVYRRSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1cc(C[NH2+]C2(CNC(=O)CN3[C@H](C)CC[C@@H]3C)CCC2)cs1 ZINC001700142799 1413564938 /nfs/dbraw/zinc/56/49/38/1413564938.db2.gz FIWMEYUVGXMMFL-GASCZTMLSA-N 1 3 349.544 3.058 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001700184382 1413602702 /nfs/dbraw/zinc/60/27/02/1413602702.db2.gz LQRTZOUADSQINA-SFHVURJKSA-N 1 3 349.494 3.028 10 0 EGAEHO CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199725 1413643345 /nfs/dbraw/zinc/64/33/45/1413643345.db2.gz ZCNGJDFIXRKWRN-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199725 1413643348 /nfs/dbraw/zinc/64/33/48/1413643348.db2.gz ZCNGJDFIXRKWRN-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001700289586 1413739325 /nfs/dbraw/zinc/73/93/25/1413739325.db2.gz RABBSDGTYMFBOO-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001700545546 1414214157 /nfs/dbraw/zinc/21/41/57/1414214157.db2.gz JGCIKNTUSCQTAN-LGYYHMKYSA-N 1 3 349.563 3.432 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001732584973 1428797357 /nfs/dbraw/zinc/79/73/57/1428797357.db2.gz DWZQGBCBOCWNDC-HXUWFJFHSA-N 1 3 345.531 3.014 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001732584973 1428797359 /nfs/dbraw/zinc/79/73/59/1428797359.db2.gz DWZQGBCBOCWNDC-HXUWFJFHSA-N 1 3 345.531 3.014 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001732585505 1428798150 /nfs/dbraw/zinc/79/81/50/1428798150.db2.gz QARNBCVKPXQZSE-HXUWFJFHSA-N 1 3 345.531 3.014 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001732585505 1428798157 /nfs/dbraw/zinc/79/81/57/1428798157.db2.gz QARNBCVKPXQZSE-HXUWFJFHSA-N 1 3 345.531 3.014 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689323 1414341895 /nfs/dbraw/zinc/34/18/95/1414341895.db2.gz KNFLPQSPYNPAIX-QUCCMNQESA-N 1 3 345.531 3.244 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001701001578 1414654382 /nfs/dbraw/zinc/65/43/82/1414654382.db2.gz SFKVRENSFJIXQF-ZWKOTPCHSA-N 1 3 339.568 3.418 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001701007274 1414663917 /nfs/dbraw/zinc/66/39/17/1414663917.db2.gz VHYBPIQEFFYPQI-PWBPZBFBSA-N 1 3 349.563 3.291 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001707119006 1417209114 /nfs/dbraw/zinc/20/91/14/1417209114.db2.gz IGOBHVMWFNGZJJ-AZUAARDMSA-N 1 3 345.531 3.020 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450129 1417353999 /nfs/dbraw/zinc/35/39/99/1417353999.db2.gz ZGWXPSIMNMWBQL-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001712951655 1417510314 /nfs/dbraw/zinc/51/03/14/1417510314.db2.gz VXSGPOPWTMMHOM-SFHVURJKSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001712951655 1417510316 /nfs/dbraw/zinc/51/03/16/1417510316.db2.gz VXSGPOPWTMMHOM-SFHVURJKSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713202465 1417772790 /nfs/dbraw/zinc/77/27/90/1417772790.db2.gz FKSIDMZLJIWYQY-FGTMMUONSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)=CCN1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001713259635 1417867210 /nfs/dbraw/zinc/86/72/10/1417867210.db2.gz XNAJLTNYTUECIY-IBGZPJMESA-N 1 3 335.536 3.189 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)N1CCCC1 ZINC001713510838 1418239125 /nfs/dbraw/zinc/23/91/25/1418239125.db2.gz HTOLRNDCXIKLGY-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1)N1CCCC1 ZINC001713510838 1418239138 /nfs/dbraw/zinc/23/91/38/1418239138.db2.gz HTOLRNDCXIKLGY-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001713684026 1418436901 /nfs/dbraw/zinc/43/69/01/1418436901.db2.gz GSTJXNCJXAEXBZ-CWHLKURSSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)(C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N1CCCCC1 ZINC001733172457 1429275107 /nfs/dbraw/zinc/27/51/07/1429275107.db2.gz QPRATOJSCLATMY-SFHVURJKSA-N 1 3 349.563 3.172 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001714043779 1418835454 /nfs/dbraw/zinc/83/54/54/1418835454.db2.gz ZAZZVAPWKJHATP-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001714043779 1418835455 /nfs/dbraw/zinc/83/54/55/1418835455.db2.gz ZAZZVAPWKJHATP-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC3CCCC3)C2)CC1 ZINC001714231261 1419023727 /nfs/dbraw/zinc/02/37/27/1419023727.db2.gz BQDLFGSIZWYDTO-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001714366307 1419126529 /nfs/dbraw/zinc/12/65/29/1419126529.db2.gz NQQAHBOQLZUEOO-LJQANCHMSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001714366307 1419126530 /nfs/dbraw/zinc/12/65/30/1419126530.db2.gz NQQAHBOQLZUEOO-LJQANCHMSA-N 1 3 349.563 3.223 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714418892 1419155433 /nfs/dbraw/zinc/15/54/33/1419155433.db2.gz HMWWWWXCVSVNLO-FUHWJXTLSA-N 1 3 345.531 3.272 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001714492958 1419216680 /nfs/dbraw/zinc/21/66/80/1419216680.db2.gz BGQBFTNYQICYGR-XFHJGTJQSA-N 1 3 335.536 3.234 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1 ZINC001714510116 1419237396 /nfs/dbraw/zinc/23/73/96/1419237396.db2.gz IOOPLYPGVOEJKA-UHFFFAOYSA-N 1 3 346.519 3.250 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769675 1419500660 /nfs/dbraw/zinc/50/06/60/1419500660.db2.gz FKYJDRPGJVVGCR-SJLPKXTDSA-N 1 3 337.552 3.122 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001714810783 1419522169 /nfs/dbraw/zinc/52/21/69/1419522169.db2.gz DOLSHJXJPFBHTO-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1 ZINC001714839740 1419552325 /nfs/dbraw/zinc/55/23/25/1419552325.db2.gz MONXBZMQFMRTAY-MOPGFXCFSA-N 1 3 331.504 3.105 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1 ZINC001714839746 1419552471 /nfs/dbraw/zinc/55/24/71/1419552471.db2.gz MONXBZMQFMRTAY-RTBURBONSA-N 1 3 331.504 3.105 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001714884812 1419624381 /nfs/dbraw/zinc/62/43/81/1419624381.db2.gz YHDHNPMKHRRBFV-ICSRJNTNSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001714884812 1419624384 /nfs/dbraw/zinc/62/43/84/1419624384.db2.gz YHDHNPMKHRRBFV-ICSRJNTNSA-N 1 3 347.547 3.047 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCCC(C)(C)C ZINC001715066240 1419803196 /nfs/dbraw/zinc/80/31/96/1419803196.db2.gz FNIWRKAGKNXGCG-INIZCTEOSA-N 1 3 325.541 3.172 10 0 EGAEHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001715536291 1420231397 /nfs/dbraw/zinc/23/13/97/1420231397.db2.gz SLLJHJVNEQXXJA-GOSISDBHSA-N 1 3 333.520 3.096 10 0 EGAEHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001715536291 1420231400 /nfs/dbraw/zinc/23/14/00/1420231400.db2.gz SLLJHJVNEQXXJA-GOSISDBHSA-N 1 3 333.520 3.096 10 0 EGAEHO CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC001715657329 1420281562 /nfs/dbraw/zinc/28/15/62/1420281562.db2.gz BSNWPESKAFCEJI-MSOLQXFVSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042574 1420505624 /nfs/dbraw/zinc/50/56/24/1420505624.db2.gz QQGKHWQSGRWLQP-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001716042574 1420505625 /nfs/dbraw/zinc/50/56/25/1420505625.db2.gz QQGKHWQSGRWLQP-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001716051533 1420515847 /nfs/dbraw/zinc/51/58/47/1420515847.db2.gz ZTAYFUVTAIPYSF-OALUTQOASA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001716051533 1420515849 /nfs/dbraw/zinc/51/58/49/1420515849.db2.gz ZTAYFUVTAIPYSF-OALUTQOASA-N 1 3 349.563 3.364 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716496058 1420719930 /nfs/dbraw/zinc/71/99/30/1420719930.db2.gz NULCJBRBVSBBJD-KXBFYZLASA-N 1 3 343.531 3.072 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716496058 1420719932 /nfs/dbraw/zinc/71/99/32/1420719932.db2.gz NULCJBRBVSBBJD-KXBFYZLASA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001716519931 1420748768 /nfs/dbraw/zinc/74/87/68/1420748768.db2.gz IERSYLRPELXVAN-MOPGFXCFSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717004449 1421073493 /nfs/dbraw/zinc/07/34/93/1421073493.db2.gz LTHFWFWHXBRROD-WGSAOQKQSA-N 1 3 337.552 3.029 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001717197059 1421163661 /nfs/dbraw/zinc/16/36/61/1421163661.db2.gz SBAORLRFVNMSOQ-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001717197059 1421163662 /nfs/dbraw/zinc/16/36/62/1421163662.db2.gz SBAORLRFVNMSOQ-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001733287468 1429462664 /nfs/dbraw/zinc/46/26/64/1429462664.db2.gz FXGLXLHOEYUKNY-FPOVZHCZSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001733287468 1429462668 /nfs/dbraw/zinc/46/26/68/1429462668.db2.gz FXGLXLHOEYUKNY-FPOVZHCZSA-N 1 3 349.563 3.223 10 0 EGAEHO CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001717301422 1421243713 /nfs/dbraw/zinc/24/37/13/1421243713.db2.gz PJVYBORISGSTTJ-MJRGOJFPSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001717337997 1421275367 /nfs/dbraw/zinc/27/53/67/1421275367.db2.gz ONAZQTWJPJSQLP-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001717337997 1421275369 /nfs/dbraw/zinc/27/53/69/1421275369.db2.gz ONAZQTWJPJSQLP-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)CC(C)(C)C ZINC001717372976 1421313050 /nfs/dbraw/zinc/31/30/50/1421313050.db2.gz GBFGVJIGZFRDQN-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1)CC(C)(C)C ZINC001717372976 1421313053 /nfs/dbraw/zinc/31/30/53/1421313053.db2.gz GBFGVJIGZFRDQN-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001717375889 1421317569 /nfs/dbraw/zinc/31/75/69/1421317569.db2.gz FXKYDMUUFQQJEC-OALUTQOASA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001717375889 1421317573 /nfs/dbraw/zinc/31/75/73/1421317573.db2.gz FXKYDMUUFQQJEC-OALUTQOASA-N 1 3 337.552 3.364 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC1CCCC1 ZINC001717471804 1421405179 /nfs/dbraw/zinc/40/51/79/1421405179.db2.gz GBHVCTOXRHAIIC-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001717471804 1421405182 /nfs/dbraw/zinc/40/51/82/1421405182.db2.gz GBHVCTOXRHAIIC-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC001717474839 1421408681 /nfs/dbraw/zinc/40/86/81/1421408681.db2.gz UWVLMALGQUTFRQ-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001717474839 1421408682 /nfs/dbraw/zinc/40/86/82/1421408682.db2.gz UWVLMALGQUTFRQ-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001717490023 1421427813 /nfs/dbraw/zinc/42/78/13/1421427813.db2.gz DMAQKIOSDKBPNO-QUCCMNQESA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001717490023 1421427815 /nfs/dbraw/zinc/42/78/15/1421427815.db2.gz DMAQKIOSDKBPNO-QUCCMNQESA-N 1 3 345.531 3.194 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001717558668 1421494708 /nfs/dbraw/zinc/49/47/08/1421494708.db2.gz JLIWGHMFCMSBEC-ZWKOTPCHSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001717844937 1421659403 /nfs/dbraw/zinc/65/94/03/1421659403.db2.gz AHRCGYCCYJFWHI-XUVXKRRUSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001717973832 1421745686 /nfs/dbraw/zinc/74/56/86/1421745686.db2.gz MMNWKBUPUZMPCP-LJQANCHMSA-N 1 3 347.547 3.264 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001733336185 1429521098 /nfs/dbraw/zinc/52/10/98/1429521098.db2.gz RKNQRXPNKXQNCY-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1CC ZINC001723369840 1424373993 /nfs/dbraw/zinc/37/39/93/1424373993.db2.gz FJHQJQJJWANJBI-WAQVGJNASA-N 1 3 335.536 3.044 10 0 EGAEHO CC1CCC(C[N@@H+]2CC[C@H]2CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001723430124 1424399067 /nfs/dbraw/zinc/39/90/67/1424399067.db2.gz WNPDPXHFUQFHLE-ACBHZAAOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CCC(C[N@H+]2CC[C@H]2CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001723430124 1424399068 /nfs/dbraw/zinc/39/90/68/1424399068.db2.gz WNPDPXHFUQFHLE-ACBHZAAOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001723430125 1424399895 /nfs/dbraw/zinc/39/98/95/1424399895.db2.gz WNPDPXHFUQFHLE-CTWPCTMYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CCC(C[N@H+]2CC[C@@H]2CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001723430125 1424399900 /nfs/dbraw/zinc/39/99/00/1424399900.db2.gz WNPDPXHFUQFHLE-CTWPCTMYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001723950295 1424609869 /nfs/dbraw/zinc/60/98/69/1424609869.db2.gz WPMCCNRKSFXWJX-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC1CC(C[NH2+]C[C@@H](NC(=O)C(C)(C)N2CCCC2)C2CCCC2)C1 ZINC001724097542 1424661026 /nfs/dbraw/zinc/66/10/26/1424661026.db2.gz LLWBBFKWIBHGKH-FAFZWHIHSA-N 1 3 349.563 3.172 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173118 1424707766 /nfs/dbraw/zinc/70/77/66/1424707766.db2.gz BHOKEOCLHLVWJJ-WIYYLYMNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173118 1424707770 /nfs/dbraw/zinc/70/77/70/1424707770.db2.gz BHOKEOCLHLVWJJ-WIYYLYMNSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001724753106 1425123193 /nfs/dbraw/zinc/12/31/93/1425123193.db2.gz XWKCPIPUBXYEQC-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833208 1425178836 /nfs/dbraw/zinc/17/88/36/1425178836.db2.gz BXCXMSXDXRNNSN-QWNKOJSDSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833208 1425178838 /nfs/dbraw/zinc/17/88/38/1425178838.db2.gz BXCXMSXDXRNNSN-QWNKOJSDSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725057414 1425495571 /nfs/dbraw/zinc/49/55/71/1425495571.db2.gz HJSKCPSTCUHJCH-FQEVSTJZSA-N 1 3 343.515 3.251 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725057414 1425495575 /nfs/dbraw/zinc/49/55/75/1425495575.db2.gz HJSKCPSTCUHJCH-FQEVSTJZSA-N 1 3 343.515 3.251 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130528 1425599118 /nfs/dbraw/zinc/59/91/18/1425599118.db2.gz ROVFRUUOHGMMBB-HOTGVXAUSA-N 1 3 325.541 3.026 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725135248 1425608850 /nfs/dbraw/zinc/60/88/50/1425608850.db2.gz QBAKUUPWATXXQI-DDABTOOBSA-N 1 3 343.515 3.057 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001725523029 1426214227 /nfs/dbraw/zinc/21/42/27/1426214227.db2.gz KYUDAZIUCMSMJT-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001725649284 1426332132 /nfs/dbraw/zinc/33/21/32/1426332132.db2.gz GKUPWUGQDCDMRE-RTBURBONSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684635 1426372032 /nfs/dbraw/zinc/37/20/32/1426372032.db2.gz RPMRZQVXFFFUTK-CRAIPNDOSA-N 1 3 349.494 3.054 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498974 1427477698 /nfs/dbraw/zinc/47/76/98/1427477698.db2.gz BNWHAGUEYPVZFT-OVKVCFKUSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498974 1427477702 /nfs/dbraw/zinc/47/77/02/1427477702.db2.gz BNWHAGUEYPVZFT-OVKVCFKUSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837908 1428055932 /nfs/dbraw/zinc/05/59/32/1428055932.db2.gz IVLFPMDPZRMDRZ-KKHYBRAUSA-N 1 3 343.515 3.299 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837908 1428055934 /nfs/dbraw/zinc/05/59/34/1428055934.db2.gz IVLFPMDPZRMDRZ-KKHYBRAUSA-N 1 3 343.515 3.299 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733777463 1430027262 /nfs/dbraw/zinc/02/72/62/1430027262.db2.gz NKVDRQONFBBLNM-IRXDYDNUSA-N 1 3 349.494 3.009 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001733777463 1430027268 /nfs/dbraw/zinc/02/72/68/1430027268.db2.gz NKVDRQONFBBLNM-IRXDYDNUSA-N 1 3 349.494 3.009 10 0 EGAEHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001733861582 1437691258 /nfs/dbraw/zinc/69/12/58/1437691258.db2.gz OZYYYVANUWYFHW-LPHOPBHVSA-N 1 3 345.531 3.235 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001733975043 1437774814 /nfs/dbraw/zinc/77/48/14/1437774814.db2.gz XQTZJTDYTQQSOI-DLBZAZTESA-N 1 3 349.563 3.314 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1C ZINC001733987232 1437783293 /nfs/dbraw/zinc/78/32/93/1437783293.db2.gz JNLKQWOYDVSMBG-QZTJIDSGSA-N 1 3 347.547 3.264 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001734489853 1438129967 /nfs/dbraw/zinc/12/99/67/1438129967.db2.gz XVQNCBSEKBTPMQ-QUCCMNQESA-N 1 3 345.531 3.018 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001734574687 1438168201 /nfs/dbraw/zinc/16/82/01/1438168201.db2.gz CNOREZKTGBRAKL-SFHVURJKSA-N 1 3 333.520 3.282 10 0 EGAEHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000262092601 244799450 /nfs/dbraw/zinc/79/94/50/244799450.db2.gz ATUCZGDGHSDRKO-LJQANCHMSA-N 1 3 333.476 3.007 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268834779 252283456 /nfs/dbraw/zinc/28/34/56/252283456.db2.gz GIIOCEGBXQBGFG-FXAWDEMLSA-N 1 3 326.488 3.082 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000237511383 141005643 /nfs/dbraw/zinc/00/56/43/141005643.db2.gz DJOOPKSEUJHNQS-WNHJNPCNSA-N 1 3 343.515 3.153 10 0 EGAEHO CCCN(CCC[NH+](C)C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000347902812 141213212 /nfs/dbraw/zinc/21/32/12/141213212.db2.gz JUAJHXUFSWEZDG-UHFFFAOYSA-N 1 3 331.504 3.086 10 0 EGAEHO CCCC[C@H](CNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192954588 153270429 /nfs/dbraw/zinc/27/04/29/153270429.db2.gz IECXRCAUOZZXQB-MGNMYUMUSA-N 1 3 339.524 3.285 10 0 EGAEHO CCCC[C@H](CNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192954588 153270434 /nfs/dbraw/zinc/27/04/34/153270434.db2.gz IECXRCAUOZZXQB-MGNMYUMUSA-N 1 3 339.524 3.285 10 0 EGAEHO CC(C)C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000341061507 155131176 /nfs/dbraw/zinc/13/11/76/155131176.db2.gz OVCAUUPCIZSZQB-HXUWFJFHSA-N 1 3 343.515 3.106 10 0 EGAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000346860172 156166777 /nfs/dbraw/zinc/16/67/77/156166777.db2.gz IXHPDLQTZRHOPN-QGZVFWFLSA-N 1 3 345.531 3.455 10 0 EGAEHO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000359773245 167228479 /nfs/dbraw/zinc/22/84/79/167228479.db2.gz IEIUYXYRMSQEPK-KRWDZBQOSA-N 1 3 331.504 3.133 10 0 EGAEHO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000359773245 167228482 /nfs/dbraw/zinc/22/84/82/167228482.db2.gz IEIUYXYRMSQEPK-KRWDZBQOSA-N 1 3 331.504 3.133 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367617037 168250304 /nfs/dbraw/zinc/25/03/04/168250304.db2.gz PIYANVSVUCXGPA-ZCNNSNEGSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367617037 168250306 /nfs/dbraw/zinc/25/03/06/168250306.db2.gz PIYANVSVUCXGPA-ZCNNSNEGSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000367617037 168250308 /nfs/dbraw/zinc/25/03/08/168250308.db2.gz PIYANVSVUCXGPA-ZCNNSNEGSA-N 1 3 343.515 3.131 10 0 EGAEHO CN1CCC(O)(C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000270023891 266403576 /nfs/dbraw/zinc/40/35/76/266403576.db2.gz OUVICAGGHVFBHB-GOSISDBHSA-N 1 3 344.499 3.259 10 0 EGAEHO CC[NH+](CC)CCOc1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000273264691 267009118 /nfs/dbraw/zinc/00/91/18/267009118.db2.gz UGKQSWJMUUUNFY-UHFFFAOYSA-N 1 3 347.503 3.078 10 0 EGAEHO CN1CCC(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000273296134 267014929 /nfs/dbraw/zinc/01/49/29/267014929.db2.gz YWNKCMFAPZGCJP-UHFFFAOYSA-N 1 3 343.515 3.385 10 0 EGAEHO C[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000279255134 275316684 /nfs/dbraw/zinc/31/66/84/275316684.db2.gz UEGNSLDKAIAWLK-WMZOPIPTSA-N 1 3 329.488 3.341 10 0 EGAEHO C[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000279255134 275316686 /nfs/dbraw/zinc/31/66/86/275316686.db2.gz UEGNSLDKAIAWLK-WMZOPIPTSA-N 1 3 329.488 3.341 10 0 EGAEHO Cc1ccc2nccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000354577735 281170214 /nfs/dbraw/zinc/17/02/14/281170214.db2.gz XYYGBTBDEXLDHV-FXAWDEMLSA-N 1 3 338.499 3.005 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000414162652 309064103 /nfs/dbraw/zinc/06/41/03/309064103.db2.gz DOLRJEQAFMVVNI-DYESRHJHSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cncn2c1 ZINC000414162652 309064104 /nfs/dbraw/zinc/06/41/04/309064104.db2.gz DOLRJEQAFMVVNI-DYESRHJHSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cncn2c1 ZINC000414162652 309064105 /nfs/dbraw/zinc/06/41/05/309064105.db2.gz DOLRJEQAFMVVNI-DYESRHJHSA-N 1 3 334.467 3.335 10 0 EGAEHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378870 307973570 /nfs/dbraw/zinc/97/35/70/307973570.db2.gz BLITXHXPZARUEY-YESZJQIVSA-N 1 3 339.524 3.096 10 0 EGAEHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248990551 308016589 /nfs/dbraw/zinc/01/65/89/308016589.db2.gz FTCHDYUQIVYZOT-WRTQPQOASA-N 1 3 328.500 3.444 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000414498019 309084631 /nfs/dbraw/zinc/08/46/31/309084631.db2.gz LXJSAZOCVBJOLG-WMZOPIPTSA-N 1 3 333.545 3.202 10 0 EGAEHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000414523034 309086283 /nfs/dbraw/zinc/08/62/83/309086283.db2.gz HRGZGBKCCKECEU-MOPGFXCFSA-N 1 3 348.556 3.133 10 0 EGAEHO COc1ccc(-c2n[nH]cc2CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414808128 309102712 /nfs/dbraw/zinc/10/27/12/309102712.db2.gz KGNHYMXDMVPFFW-CQSZACIVSA-N 1 3 336.439 3.395 10 0 EGAEHO CCOc1c(OC)cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414811175 309102955 /nfs/dbraw/zinc/10/29/55/309102955.db2.gz OXDODVWAXABYPS-CQSZACIVSA-N 1 3 344.455 3.412 10 0 EGAEHO CCCOc1ccc(Br)cc1CNCC[C@H]1CC[NH2+]C1 ZINC000414824909 309103976 /nfs/dbraw/zinc/10/39/76/309103976.db2.gz BLMGZJQZVBKWSX-CYBMUJFWSA-N 1 3 341.293 3.327 10 0 EGAEHO CCN(CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000327205414 308771241 /nfs/dbraw/zinc/77/12/41/308771241.db2.gz GFGFCKCSFHGNQD-FQEVSTJZSA-N 1 3 339.483 3.001 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000397687433 308904642 /nfs/dbraw/zinc/90/46/42/308904642.db2.gz ONOUTTLZSLKISH-INIZCTEOSA-N 1 3 330.497 3.426 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CNC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852239 309105657 /nfs/dbraw/zinc/10/56/57/309105657.db2.gz VUVBNURKUJUJPY-NRFANRHFSA-N 1 3 349.482 3.489 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H](N)c1ccc(C(C)C)cc1 ZINC000414852239 309105658 /nfs/dbraw/zinc/10/56/58/309105658.db2.gz VUVBNURKUJUJPY-NRFANRHFSA-N 1 3 349.482 3.489 10 0 EGAEHO COc1ccccc1N1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415074507 309118555 /nfs/dbraw/zinc/11/85/55/309118555.db2.gz AHJWTQCFRSZJQC-GUDVDZBRSA-N 1 3 343.515 3.174 10 0 EGAEHO COc1ccc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000415081092 309118916 /nfs/dbraw/zinc/11/89/16/309118916.db2.gz JZWGKBAINPRMAU-KZNAEPCWSA-N 1 3 332.488 3.147 10 0 EGAEHO COC[C@H](CCC[NH3+])NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422709452 309364180 /nfs/dbraw/zinc/36/41/80/309364180.db2.gz DJXXOQYECLWXTB-IBGZPJMESA-N 1 3 347.503 3.049 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000422757152 309366823 /nfs/dbraw/zinc/36/68/23/309366823.db2.gz IFFPXAYFENPQFO-HOTGVXAUSA-N 1 3 327.472 3.352 10 0 EGAEHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818903 309370103 /nfs/dbraw/zinc/37/01/03/309370103.db2.gz HJMLQAHQACNUMC-PWRODBHTSA-N 1 3 338.499 3.315 10 0 EGAEHO c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)cc2)c1 ZINC000422818903 309370104 /nfs/dbraw/zinc/37/01/04/309370104.db2.gz HJMLQAHQACNUMC-PWRODBHTSA-N 1 3 338.499 3.315 10 0 EGAEHO COc1cccc(N2CC[C@H](CN[C@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896988 309374884 /nfs/dbraw/zinc/37/48/84/309374884.db2.gz BCBXZFCEPDCKNU-QRVBRYPASA-N 1 3 345.531 3.422 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@H]2CCNCC[C@H]2C)CCOCC1 ZINC000422901267 309375266 /nfs/dbraw/zinc/37/52/66/309375266.db2.gz RTZKWCBDAQQVEI-MJGOQNOKSA-N 1 3 346.515 3.030 10 0 EGAEHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916757 309376009 /nfs/dbraw/zinc/37/60/09/309376009.db2.gz DZPXARVFBWPVTJ-KHHDVDEJSA-N 1 3 334.463 3.463 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937828 309377264 /nfs/dbraw/zinc/37/72/64/309377264.db2.gz OZTAROYVXYSVKD-PZJWPPBQSA-N 1 3 342.483 3.437 10 0 EGAEHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000423084081 309385141 /nfs/dbraw/zinc/38/51/41/309385141.db2.gz ZSGWBGLQOGZHIK-NCXUSEDFSA-N 1 3 330.520 3.222 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC2 ZINC000423084081 309385142 /nfs/dbraw/zinc/38/51/42/309385142.db2.gz ZSGWBGLQOGZHIK-NCXUSEDFSA-N 1 3 330.520 3.222 10 0 EGAEHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093081 309385494 /nfs/dbraw/zinc/38/54/94/309385494.db2.gz FSJFIFOXWFAESN-GVARAGBVSA-N 1 3 327.241 3.304 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423126058 309387156 /nfs/dbraw/zinc/38/71/56/309387156.db2.gz ANYHUGUSHUQJNX-LLVKDONJSA-N 1 3 338.377 3.156 10 0 EGAEHO CCOC(=O)C1([C@@H](C)NCc2ccc(C3CC3)cc2F)CC[NH2+]CC1 ZINC000423129806 309387383 /nfs/dbraw/zinc/38/73/83/309387383.db2.gz MIYRXULHMYJCTN-CQSZACIVSA-N 1 3 348.462 3.114 10 0 EGAEHO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(=O)NCCN(C)C ZINC000437788506 309799698 /nfs/dbraw/zinc/79/96/98/309799698.db2.gz UAMHRBCHNDJSAA-UFYCRDLUSA-N 1 3 345.531 3.005 10 0 EGAEHO CCN1CC[C@H](C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449088548 310036153 /nfs/dbraw/zinc/03/61/53/310036153.db2.gz HXSFETDHNPGZHZ-UYAOXDASSA-N 1 3 329.532 3.013 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(CO)CCOCC2)CC1 ZINC000449213435 310045036 /nfs/dbraw/zinc/04/50/36/310045036.db2.gz XAXIWCBQXIHGPN-UHFFFAOYSA-N 1 3 340.552 3.044 10 0 EGAEHO Cn1nccc1-c1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000507211441 312063463 /nfs/dbraw/zinc/06/34/63/312063463.db2.gz MFDRMMUGIGHQCC-UHFFFAOYSA-N 1 3 338.499 3.395 10 0 EGAEHO CC[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)N1CCc2ccccc2C1 ZINC000514096585 312224719 /nfs/dbraw/zinc/22/47/19/312224719.db2.gz XBRNKNHNKCHSSI-MBDNFAEBSA-N 1 3 341.543 3.286 10 0 EGAEHO NC[C@H](NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165457 312268780 /nfs/dbraw/zinc/26/87/80/312268780.db2.gz HVSSCDAFPWUKRX-UFYCRDLUSA-N 1 3 339.483 3.254 10 0 EGAEHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000529722828 313399213 /nfs/dbraw/zinc/39/92/13/313399213.db2.gz NDGRBGFMXLTWCO-PXNSSMCTSA-N 1 3 347.547 3.164 10 0 EGAEHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000529722828 313399217 /nfs/dbraw/zinc/39/92/17/313399217.db2.gz NDGRBGFMXLTWCO-PXNSSMCTSA-N 1 3 347.547 3.164 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000552046861 315192841 /nfs/dbraw/zinc/19/28/41/315192841.db2.gz UYGIOLUVNKXNBG-MYGLTJDJSA-N 1 3 341.543 3.013 10 0 EGAEHO Cc1cc(C[NH2+]CCCCN2CCN(C)CC2)ccc1C(F)(F)F ZINC000565938827 316391006 /nfs/dbraw/zinc/39/10/06/316391006.db2.gz NEHJXOGAVKSKMJ-UHFFFAOYSA-N 1 3 343.437 3.131 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCOCC2CCC2)CC1 ZINC000571492640 317205664 /nfs/dbraw/zinc/20/56/64/317205664.db2.gz NBKOXTDUUPOYJA-SFHVURJKSA-N 1 3 330.516 3.488 10 0 EGAEHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000172262875 323274584 /nfs/dbraw/zinc/27/45/84/323274584.db2.gz OMYBFSQNKQSMCW-QGZVFWFLSA-N 1 3 345.531 3.100 10 0 EGAEHO C[C@H](CCc1ccco1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397519234 324294884 /nfs/dbraw/zinc/29/48/84/324294884.db2.gz USFHKYLENLCDHR-GOSISDBHSA-N 1 3 342.483 3.217 10 0 EGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000105862663 454660800 /nfs/dbraw/zinc/66/08/00/454660800.db2.gz OEOPJRVCOSJLPA-KGLIPLIRSA-N 1 3 326.431 3.050 10 0 EGAEHO C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000151954560 455053558 /nfs/dbraw/zinc/05/35/58/455053558.db2.gz BJNJPXKWWMQUCT-VQTJNVASSA-N 1 3 343.559 3.404 10 0 EGAEHO Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000179685393 455067098 /nfs/dbraw/zinc/06/70/98/455067098.db2.gz LGNBVUQHYKJTAI-UHFFFAOYSA-N 1 3 344.528 3.456 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000181944350 455403346 /nfs/dbraw/zinc/40/33/46/455403346.db2.gz GTSSNAUBNVJBTL-IBGZPJMESA-N 1 3 339.474 3.279 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000247039870 455549142 /nfs/dbraw/zinc/54/91/42/455549142.db2.gz MRCITWQARGGBEU-CHWSQXEVSA-N 1 3 328.403 3.289 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000247270520 455580768 /nfs/dbraw/zinc/58/07/68/455580768.db2.gz WFGWFROPLMYTKO-MISYRCLQSA-N 1 3 348.531 3.147 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000247270520 455580771 /nfs/dbraw/zinc/58/07/71/455580771.db2.gz WFGWFROPLMYTKO-MISYRCLQSA-N 1 3 348.531 3.147 10 0 EGAEHO c1ccc(CN2CC[C@@H](N3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000271364075 455612352 /nfs/dbraw/zinc/61/23/52/455612352.db2.gz NYHHTYMXSMMSJZ-OAQYLSRUSA-N 1 3 327.516 3.211 10 0 EGAEHO c1ccc(CN2CC[C@@H](N3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000271364075 455612356 /nfs/dbraw/zinc/61/23/56/455612356.db2.gz NYHHTYMXSMMSJZ-OAQYLSRUSA-N 1 3 327.516 3.211 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248119479 455683129 /nfs/dbraw/zinc/68/31/29/455683129.db2.gz NEGMABQUABPCEO-ZQOJQMTGSA-N 1 3 335.561 3.449 10 0 EGAEHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000338002734 456650383 /nfs/dbraw/zinc/65/03/83/456650383.db2.gz ZDHOQTRJOFDBNC-SFTDATJTSA-N 1 3 328.500 3.312 10 0 EGAEHO CCOc1c(OC)cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000353494453 456714330 /nfs/dbraw/zinc/71/43/30/456714330.db2.gz CTEXHFGDJFMKMP-BRWVUGGUSA-N 1 3 348.487 3.065 10 0 EGAEHO CC(C)C[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000347226102 457299018 /nfs/dbraw/zinc/29/90/18/457299018.db2.gz MDAZXNJQSTWSTN-YOEHRIQHSA-N 1 3 339.911 3.083 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000339841913 457305950 /nfs/dbraw/zinc/30/59/50/457305950.db2.gz LGUIUYZKCSDHRV-UHFFFAOYSA-N 1 3 340.515 3.485 10 0 EGAEHO Cc1ccccc1[C@@]1(F)CCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000374339410 457591182 /nfs/dbraw/zinc/59/11/82/457591182.db2.gz XOVCSQCAVCPKHM-OAQYLSRUSA-N 1 3 347.522 3.282 10 0 EGAEHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CS1 ZINC000364862671 457708182 /nfs/dbraw/zinc/70/81/82/457708182.db2.gz RIKKQWZITKIRMJ-MSOLQXFVSA-N 1 3 339.593 3.056 10 0 EGAEHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2c(s1)CCC2 ZINC000358231692 457874748 /nfs/dbraw/zinc/87/47/48/457874748.db2.gz AELXSTIQAPRSGX-CQSZACIVSA-N 1 3 345.512 3.423 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411413878 457880486 /nfs/dbraw/zinc/88/04/86/457880486.db2.gz LBCZFPQEBUCDEQ-GOSISDBHSA-N 1 3 343.515 3.277 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411413878 457880493 /nfs/dbraw/zinc/88/04/93/457880493.db2.gz LBCZFPQEBUCDEQ-GOSISDBHSA-N 1 3 343.515 3.277 10 0 EGAEHO Cc1cccc(NCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000358386784 457969164 /nfs/dbraw/zinc/96/91/64/457969164.db2.gz SPGRDDWYWVBLNG-XLIONFOSSA-N 1 3 338.499 3.302 10 0 EGAEHO Cc1cccc(NCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000358386784 457969171 /nfs/dbraw/zinc/96/91/71/457969171.db2.gz SPGRDDWYWVBLNG-XLIONFOSSA-N 1 3 338.499 3.302 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H](CN)C2CCCC2)CC1 ZINC000423495670 458443294 /nfs/dbraw/zinc/44/32/94/458443294.db2.gz CKHKMIZAKXNOLW-DYESRHJHSA-N 1 3 329.532 3.189 10 0 EGAEHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000470254913 458626609 /nfs/dbraw/zinc/62/66/09/458626609.db2.gz MZZLHVQOARGUJH-NSHGMRRFSA-N 1 3 346.515 3.230 10 0 EGAEHO CCCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247960 458730417 /nfs/dbraw/zinc/73/04/17/458730417.db2.gz FJPXBEHRHMUGJK-FQEVSTJZSA-N 1 3 332.488 3.066 10 0 EGAEHO CC1=CCN(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548158594 458846736 /nfs/dbraw/zinc/84/67/36/458846736.db2.gz QHBRFIOOOXUVID-CTNGQTDRSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158594 458846737 /nfs/dbraw/zinc/84/67/37/458846737.db2.gz QHBRFIOOOXUVID-CTNGQTDRSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548158594 458846739 /nfs/dbraw/zinc/84/67/39/458846739.db2.gz QHBRFIOOOXUVID-CTNGQTDRSA-N 1 3 327.516 3.139 10 0 EGAEHO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475024675 458912427 /nfs/dbraw/zinc/91/24/27/458912427.db2.gz TYBFHQBBRYQKGT-MOPGFXCFSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475024675 458912430 /nfs/dbraw/zinc/91/24/30/458912430.db2.gz TYBFHQBBRYQKGT-MOPGFXCFSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000576979501 458957817 /nfs/dbraw/zinc/95/78/17/458957817.db2.gz KABGWZBNASTKHP-GOSISDBHSA-N 1 3 348.531 3.261 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000521322572 459140838 /nfs/dbraw/zinc/14/08/38/459140838.db2.gz XZULLXCHRAYHTF-AZUAARDMSA-N 1 3 333.564 3.328 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CCCC1 ZINC000480146127 459185460 /nfs/dbraw/zinc/18/54/60/459185460.db2.gz VWZPZRLPZWRYLC-QUCCMNQESA-N 1 3 329.532 3.361 10 0 EGAEHO CC1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615845 459209517 /nfs/dbraw/zinc/20/95/17/459209517.db2.gz UANUXUCLEMEBHT-FPOVZHCZSA-N 1 3 329.532 3.219 10 0 EGAEHO C[C@H](CSCCF)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000595043182 459227145 /nfs/dbraw/zinc/22/71/45/459227145.db2.gz IPZBJASBDUJCHR-OAHLLOKOSA-N 1 3 340.508 3.340 10 0 EGAEHO C[NH+](C)CCOCCN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000581983221 459285811 /nfs/dbraw/zinc/28/58/11/459285811.db2.gz OAHBSAMXQXESKG-GOSISDBHSA-N 1 3 332.488 3.381 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000560514269 459363522 /nfs/dbraw/zinc/36/35/22/459363522.db2.gz VLGDLKQTFDMQPA-YPAWHYETSA-N 1 3 341.543 3.422 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(I)cc1 ZINC000596655900 459717231 /nfs/dbraw/zinc/71/72/31/459717231.db2.gz ZIOUTIIYYSWBQQ-SMDDNHRTSA-N 1 3 346.256 3.315 10 0 EGAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011722 459795801 /nfs/dbraw/zinc/79/58/01/459795801.db2.gz IXJFMBOBIQRGFF-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011722 459795805 /nfs/dbraw/zinc/79/58/05/459795805.db2.gz IXJFMBOBIQRGFF-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000597199455 459873565 /nfs/dbraw/zinc/87/35/65/459873565.db2.gz CZFGIIGURUCYBD-FHWLQOOXSA-N 1 3 342.483 3.110 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000597199455 459873567 /nfs/dbraw/zinc/87/35/67/459873567.db2.gz CZFGIIGURUCYBD-FHWLQOOXSA-N 1 3 342.483 3.110 10 0 EGAEHO Cc1cccc([C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)c1 ZINC000625984058 460326564 /nfs/dbraw/zinc/32/65/64/460326564.db2.gz JSLXDGBZCSXZDA-NRFANRHFSA-N 1 3 345.531 3.271 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC1(C)C ZINC000623347969 460502268 /nfs/dbraw/zinc/50/22/68/460502268.db2.gz NEMKYCWUFNXNDU-SFHVURJKSA-N 1 3 329.488 3.388 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000623879268 460758400 /nfs/dbraw/zinc/75/84/00/460758400.db2.gz BSRZHWALMQDADU-UWJYYQICSA-N 1 3 346.515 3.454 10 0 EGAEHO NC1(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CCOCC1 ZINC000629520125 460792277 /nfs/dbraw/zinc/79/22/77/460792277.db2.gz KPVBDUXXBDSMNF-IBGZPJMESA-N 1 3 328.431 3.207 10 0 EGAEHO CC[C@H](NCCOCC[NH2+]C)c1ccc(Br)cc1Cl ZINC000629530765 460798239 /nfs/dbraw/zinc/79/82/39/460798239.db2.gz QLVWESJNHBELPF-AWEZNQCLSA-N 1 3 349.700 3.379 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000629528782 460798273 /nfs/dbraw/zinc/79/82/73/460798273.db2.gz JBUHFJGPAAOKCD-CQSZACIVSA-N 1 3 333.501 3.314 10 0 EGAEHO [NH3+]CCCOCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629541497 460800660 /nfs/dbraw/zinc/80/06/60/460800660.db2.gz POFODNZKROXOJV-IBGZPJMESA-N 1 3 334.410 3.204 10 0 EGAEHO CCSc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000629673416 460861069 /nfs/dbraw/zinc/86/10/69/460861069.db2.gz LQRLVJVLJBUPMU-SFHVURJKSA-N 1 3 334.529 3.389 10 0 EGAEHO Fc1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c(F)c1 ZINC000662252544 461145538 /nfs/dbraw/zinc/14/55/38/461145538.db2.gz QBNQLWCAXRPZEO-QGZVFWFLSA-N 1 3 336.426 3.230 10 0 EGAEHO Clc1ccccc1[C@@H]1CNCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662272785 461160399 /nfs/dbraw/zinc/16/03/99/461160399.db2.gz PUSVZUTXSWUQRD-FQEVSTJZSA-N 1 3 341.886 3.132 10 0 EGAEHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000662279530 461162720 /nfs/dbraw/zinc/16/27/20/461162720.db2.gz AAHZMUCANQRAHX-MSOLQXFVSA-N 1 3 338.492 3.136 10 0 EGAEHO Fc1ccccc1[C@H](Cc1ccccc1)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283814 461166282 /nfs/dbraw/zinc/16/62/82/461166282.db2.gz VOTIXGZRFOLPGX-PXNSSMCTSA-N 1 3 340.442 3.220 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3CC4(C3)CCCCC4)cc2)C1 ZINC000668490581 461302313 /nfs/dbraw/zinc/30/23/13/461302313.db2.gz XWNFSXHGQSNFAF-FQEVSTJZSA-N 1 3 328.500 3.456 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000646697066 461374948 /nfs/dbraw/zinc/37/49/48/461374948.db2.gz SSXRTFGVIZKFNF-GUDVDZBRSA-N 1 3 331.504 3.224 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000653044906 461474201 /nfs/dbraw/zinc/47/42/01/461474201.db2.gz IICLSLUSXXDHFJ-UONOGXRCSA-N 1 3 344.377 3.482 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000659910842 461494099 /nfs/dbraw/zinc/49/40/99/461494099.db2.gz UVTYMVKWCQKXEG-NHCUHLMSSA-N 1 3 341.543 3.208 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000659910842 461494107 /nfs/dbraw/zinc/49/41/07/461494107.db2.gz UVTYMVKWCQKXEG-NHCUHLMSSA-N 1 3 341.543 3.208 10 0 EGAEHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631043423 461495484 /nfs/dbraw/zinc/49/54/84/461495484.db2.gz VQRCRGNZCHTXMS-IRXDYDNUSA-N 1 3 332.536 3.147 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C[C@@H]2CCCCO2)cc1 ZINC000656402401 461733362 /nfs/dbraw/zinc/73/33/62/461733362.db2.gz FYDOOAHZTSFSQQ-CUUWFGFTSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C[C@@H]2CCCCO2)cc1 ZINC000656402401 461733370 /nfs/dbraw/zinc/73/33/70/461733370.db2.gz FYDOOAHZTSFSQQ-CUUWFGFTSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCCO2)cc1 ZINC000656402401 461733374 /nfs/dbraw/zinc/73/33/74/461733374.db2.gz FYDOOAHZTSFSQQ-CUUWFGFTSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@@H]2CCCCO2)cc1 ZINC000656402401 461733382 /nfs/dbraw/zinc/73/33/82/461733382.db2.gz FYDOOAHZTSFSQQ-CUUWFGFTSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCO2)cc1 ZINC000656405397 461736700 /nfs/dbraw/zinc/73/67/00/461736700.db2.gz PVVKKVHAZDSPHX-AFDCHOCNSA-N 1 3 326.484 3.008 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@@H]2CCCO2)cc1 ZINC000656405397 461736705 /nfs/dbraw/zinc/73/67/05/461736705.db2.gz PVVKKVHAZDSPHX-AFDCHOCNSA-N 1 3 326.484 3.008 10 0 EGAEHO FC(F)OC1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000656637370 461816634 /nfs/dbraw/zinc/81/66/34/461816634.db2.gz SJAITVNWTRGYBF-UHFFFAOYSA-N 1 3 325.403 3.190 10 0 EGAEHO Cc1c([C@@H](C)NCCC2(C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000650744809 461929211 /nfs/dbraw/zinc/92/92/11/461929211.db2.gz WDOZUZQBLOTUNW-GFCCVEGCSA-N 1 3 333.867 3.009 10 0 EGAEHO CC[C@H](NCc1ccccc1C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000650758732 461939064 /nfs/dbraw/zinc/93/90/64/461939064.db2.gz WPVIAQWXOHWIKW-SFHVURJKSA-N 1 3 326.440 3.418 10 0 EGAEHO c1cc(CNC2CC[NH+](Cc3ccccc3)CC2)n(-c2ccncc2)n1 ZINC000657285535 462018682 /nfs/dbraw/zinc/01/86/82/462018682.db2.gz IKUGBBPFLHYURU-UHFFFAOYSA-N 1 3 347.466 3.022 10 0 EGAEHO c1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)n(-c2ccncc2)n1 ZINC000657285535 462018691 /nfs/dbraw/zinc/01/86/91/462018691.db2.gz IKUGBBPFLHYURU-UHFFFAOYSA-N 1 3 347.466 3.022 10 0 EGAEHO CN1CCC(N2CCC([NH2+][C@@H]3CCCc4ccccc4C3)CC2)CC1 ZINC000648439135 462119415 /nfs/dbraw/zinc/11/94/15/462119415.db2.gz PWDJYBIWZYYKAJ-OAQYLSRUSA-N 1 3 341.543 3.082 10 0 EGAEHO CN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000651198353 462131892 /nfs/dbraw/zinc/13/18/92/462131892.db2.gz BXDLNKCDRUIKPL-DOIPELPJSA-N 1 3 327.516 3.113 10 0 EGAEHO C[NH+]1CCC(N2CCC(NC(=O)C3CC4(C3)CCCCC4)CC2)CC1 ZINC000667641813 462186532 /nfs/dbraw/zinc/18/65/32/462186532.db2.gz DVKHHOCHEWZSNY-UHFFFAOYSA-N 1 3 347.547 3.022 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc4cccnc43)cc2)C1 ZINC000657596834 462196624 /nfs/dbraw/zinc/19/66/24/462196624.db2.gz ZMTBOUXIKZLQAG-OAQYLSRUSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4cccnc43)cc2)C1 ZINC000657596834 462196629 /nfs/dbraw/zinc/19/66/29/462196629.db2.gz ZMTBOUXIKZLQAG-OAQYLSRUSA-N 1 3 347.462 3.091 10 0 EGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C(C)(C)C(F)F ZINC000657891698 462309579 /nfs/dbraw/zinc/30/95/79/462309579.db2.gz ILTUFCALBVLJTM-HNNXBMFYSA-N 1 3 331.495 3.206 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970549 462354187 /nfs/dbraw/zinc/35/41/87/462354187.db2.gz MYYLCQFACAQVQZ-BIRZXAFVSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970549 462354194 /nfs/dbraw/zinc/35/41/94/462354194.db2.gz MYYLCQFACAQVQZ-BIRZXAFVSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970549 462354200 /nfs/dbraw/zinc/35/42/00/462354200.db2.gz MYYLCQFACAQVQZ-BIRZXAFVSA-N 1 3 340.511 3.444 10 0 EGAEHO OC[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCc2ccccc21 ZINC000651884248 462368335 /nfs/dbraw/zinc/36/83/35/462368335.db2.gz CBDIKXIYODNVQC-QFIPXVFZSA-N 1 3 342.527 3.250 10 0 EGAEHO OC[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCc2ccccc21 ZINC000651884248 462368337 /nfs/dbraw/zinc/36/83/37/462368337.db2.gz CBDIKXIYODNVQC-QFIPXVFZSA-N 1 3 342.527 3.250 10 0 EGAEHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nsc2ccccc12 ZINC000665275214 462380138 /nfs/dbraw/zinc/38/01/38/462380138.db2.gz FKHRNKJQAXZHHP-KSSFIOAISA-N 1 3 325.481 3.387 10 0 EGAEHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339076 462480948 /nfs/dbraw/zinc/48/09/48/462480948.db2.gz PUOBONVYCNWFPJ-HKUYNNGSSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274821 462495489 /nfs/dbraw/zinc/49/54/89/462495489.db2.gz WUSLMVGGZSNBFJ-APWZRJJASA-N 1 3 326.488 3.024 10 0 EGAEHO O[C@@H]1CCN(C2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000662154968 462532605 /nfs/dbraw/zinc/53/26/05/462532605.db2.gz ZWYCWLICHIBCQC-QGZVFWFLSA-N 1 3 334.463 3.287 10 0 EGAEHO Cc1ccccc1[C@H](C)NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000182012876 547075495 /nfs/dbraw/zinc/07/54/95/547075495.db2.gz YYBYQIMJBYSEKQ-PXNSSMCTSA-N 1 3 339.483 3.065 10 0 EGAEHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964244 547862321 /nfs/dbraw/zinc/86/23/21/547862321.db2.gz UMTYNSKETNCWPK-ABAIWWIYSA-N 1 3 334.261 3.085 10 0 EGAEHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(CN(C)C)cc1 ZINC000672491508 548440137 /nfs/dbraw/zinc/44/01/37/548440137.db2.gz ALQPSEJNGGQVQF-UHFFFAOYSA-N 1 3 345.531 3.475 10 0 EGAEHO CN1CCC[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638651 1297097581 /nfs/dbraw/zinc/09/75/81/1297097581.db2.gz GGEIWYWIWPGVCX-QZTJIDSGSA-N 1 3 347.503 3.326 10 0 EGAEHO CC(C)C[NH+]1CCC(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000378902594 1297528119 /nfs/dbraw/zinc/52/81/19/1297528119.db2.gz ZEFFZKUBFFVRGP-KRWDZBQOSA-N 1 3 339.524 3.096 10 0 EGAEHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000378902594 1297528124 /nfs/dbraw/zinc/52/81/24/1297528124.db2.gz ZEFFZKUBFFVRGP-KRWDZBQOSA-N 1 3 339.524 3.096 10 0 EGAEHO CCN(CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCC(F)(F)F ZINC000925649709 1325246936 /nfs/dbraw/zinc/24/69/36/1325246936.db2.gz IBYJKLPJZAPTDT-HZPDHXFCSA-N 1 3 335.458 3.019 10 0 EGAEHO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534451 1303490379 /nfs/dbraw/zinc/49/03/79/1303490379.db2.gz IYXWOSNHLLLMEA-RQUKQETFSA-N 1 3 330.516 3.426 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC1(C)C ZINC000858105672 1328683856 /nfs/dbraw/zinc/68/38/56/1328683856.db2.gz MAOYMIZJDISPJK-KRWDZBQOSA-N 1 3 329.488 3.166 10 0 EGAEHO CSCc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000921858264 1322413553 /nfs/dbraw/zinc/41/35/53/1322413553.db2.gz CJWPIMFTGRJMIZ-WOJBJXKFSA-N 1 3 348.556 3.407 10 0 EGAEHO C[C@H](NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376101 1322742311 /nfs/dbraw/zinc/74/23/11/1322742311.db2.gz HVOPOSKTDBULLJ-UWVGGRQHSA-N 1 3 333.234 3.162 10 0 EGAEHO COC(=O)c1sc2ccccc2c1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500551 1322762510 /nfs/dbraw/zinc/76/25/10/1322762510.db2.gz VUWVYYFWGKVMNC-STQMWFEESA-N 1 3 332.469 3.105 10 0 EGAEHO CN1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000924746819 1323144179 /nfs/dbraw/zinc/14/41/79/1323144179.db2.gz HQBBWLOAWFJWQN-UDEWTMQYSA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@@H]1CC2(CC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)C2)CO1 ZINC000924938313 1323221569 /nfs/dbraw/zinc/22/15/69/1323221569.db2.gz JRFPQYXZWOLJFT-IDGBJLRDSA-N 1 3 328.500 3.098 10 0 EGAEHO C[C@@H](NCC1CCN(CC[NH+](C)C)CC1)C(F)(F)c1ccccc1 ZINC000924958470 1323227063 /nfs/dbraw/zinc/22/70/63/1323227063.db2.gz LHMQQFJJOJHLJF-MRXNPFEDSA-N 1 3 339.474 3.030 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2nccc3Cl)C[C@H](C)O1 ZINC000925438459 1325149835 /nfs/dbraw/zinc/14/98/35/1325149835.db2.gz AXVBKEQQZVZBIR-JKIFEVAISA-N 1 3 337.895 3.201 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439575 1325150058 /nfs/dbraw/zinc/15/00/58/1325150058.db2.gz MTXMWYBEERQBHU-KZNAEPCWSA-N 1 3 348.535 3.223 10 0 EGAEHO C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512932 1325185768 /nfs/dbraw/zinc/18/57/68/1325185768.db2.gz CXXWNHIEFJJFPX-BYCMXARLSA-N 1 3 339.277 3.076 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000925601700 1325228399 /nfs/dbraw/zinc/22/83/99/1325228399.db2.gz NCVRZTBQNAFZSF-HUUCEWRRSA-N 1 3 348.878 3.428 10 0 EGAEHO Cn1ncc(C(F)(F)F)c1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925721760 1325269443 /nfs/dbraw/zinc/26/94/43/1325269443.db2.gz FNFWEKAUDPWLCT-AWEZNQCLSA-N 1 3 326.366 3.009 10 0 EGAEHO [NH3+]CCC[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccccc1 ZINC000925723320 1325270493 /nfs/dbraw/zinc/27/04/93/1325270493.db2.gz PJIBMDXNGNYBLQ-LSDHHAIUSA-N 1 3 326.366 3.056 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000925728225 1325272305 /nfs/dbraw/zinc/27/23/05/1325272305.db2.gz JYJVAHQIVSLANC-XSLAGTTESA-N 1 3 330.472 3.004 10 0 EGAEHO [NH3+]CCC[C@H](NCc1ccnc(-c2ccccn2)n1)c1ccccc1 ZINC000925762088 1325289487 /nfs/dbraw/zinc/28/94/87/1325289487.db2.gz GLOAWBCYWVAZGO-SFHVURJKSA-N 1 3 333.439 3.108 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925781381 1325299429 /nfs/dbraw/zinc/29/94/29/1325299429.db2.gz YKBZOIJCBBTJOS-ZYHUDNBSSA-N 1 3 333.220 3.345 10 0 EGAEHO Cc1cccc([C@H](NCCN2CCC([NH3+])CC2)c2cccc(F)c2)c1 ZINC000925817705 1325314947 /nfs/dbraw/zinc/31/49/47/1325314947.db2.gz VTKCUNFKKPWKHC-NRFANRHFSA-N 1 3 341.474 3.236 10 0 EGAEHO C[C@H](C[NH2+][C@H]1CCCc2ncc(Br)cc21)CN(C)C ZINC000926473611 1325566620 /nfs/dbraw/zinc/56/66/20/1325566620.db2.gz MFIKWROSEWJWIF-RISCZKNCSA-N 1 3 326.282 3.009 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)ccn1 ZINC000926694206 1327669940 /nfs/dbraw/zinc/66/99/40/1327669940.db2.gz REIFLZLJABJCDL-SFTDATJTSA-N 1 3 343.515 3.088 10 0 EGAEHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001324742825 1387758978 /nfs/dbraw/zinc/75/89/78/1387758978.db2.gz TVJWZINXYWTIIS-NRFANRHFSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001324817904 1387783045 /nfs/dbraw/zinc/78/30/45/1387783045.db2.gz OUCUHHBWTNLPIZ-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001325465647 1387982754 /nfs/dbraw/zinc/98/27/54/1387982754.db2.gz HYKYGNXCGNZVKL-FXAWDEMLSA-N 1 3 343.515 3.155 10 0 EGAEHO CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119873 1377196272 /nfs/dbraw/zinc/19/62/72/1377196272.db2.gz OGUHNYOISOFBAH-WOJBJXKFSA-N 1 3 345.531 3.401 10 0 EGAEHO CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119873 1377196273 /nfs/dbraw/zinc/19/62/73/1377196273.db2.gz OGUHNYOISOFBAH-WOJBJXKFSA-N 1 3 345.531 3.401 10 0 EGAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526459 1377327913 /nfs/dbraw/zinc/32/79/13/1377327913.db2.gz VNYLDIRTKQFNHQ-QZTJIDSGSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526459 1377327915 /nfs/dbraw/zinc/32/79/15/1377327915.db2.gz VNYLDIRTKQFNHQ-QZTJIDSGSA-N 1 3 343.515 3.060 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCC1CCCCCC1 ZINC001268420339 1377508064 /nfs/dbraw/zinc/50/80/64/1377508064.db2.gz WRDFAFSJIQVVNL-OAHLLOKOSA-N 1 3 334.508 3.106 10 0 EGAEHO CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001327454375 1388523014 /nfs/dbraw/zinc/52/30/14/1388523014.db2.gz AGPBEUWEBFZYLC-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001275657224 1378150673 /nfs/dbraw/zinc/15/06/73/1378150673.db2.gz BYZUHOSQEHLKIW-PBHICJAKSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001275657224 1378150674 /nfs/dbraw/zinc/15/06/74/1378150674.db2.gz BYZUHOSQEHLKIW-PBHICJAKSA-N 1 3 347.528 3.178 10 0 EGAEHO CC(C)=CCN1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282832814 1378633318 /nfs/dbraw/zinc/63/33/18/1378633318.db2.gz GMKXLWRNQKLIAP-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001283268451 1378777871 /nfs/dbraw/zinc/77/78/71/1378777871.db2.gz KWQSUICNKWCVEE-JKSUJKDBSA-N 1 3 342.487 3.205 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001283679533 1379108812 /nfs/dbraw/zinc/10/88/12/1379108812.db2.gz WUYFSQWFIMBWTR-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c(C)c1 ZINC001283937177 1379287162 /nfs/dbraw/zinc/28/71/62/1379287162.db2.gz ATCRZHYBIKBSOX-AZUAARDMSA-N 1 3 345.531 3.031 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069430 1379429950 /nfs/dbraw/zinc/42/99/50/1379429950.db2.gz QHSOBLJGHMJUAW-QWFCFKBJSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069430 1379429954 /nfs/dbraw/zinc/42/99/54/1379429954.db2.gz QHSOBLJGHMJUAW-QWFCFKBJSA-N 1 3 335.536 3.020 10 0 EGAEHO Cc1cccc(CN(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)C)c1 ZINC001284544074 1379950822 /nfs/dbraw/zinc/95/08/22/1379950822.db2.gz KTZYLRHNUDHIJB-LJQANCHMSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1cccc(CN(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C(C)C)c1 ZINC001284544074 1379950825 /nfs/dbraw/zinc/95/08/25/1379950825.db2.gz KTZYLRHNUDHIJB-LJQANCHMSA-N 1 3 345.531 3.006 10 0 EGAEHO CN(C)C1(C(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001327995410 1388640975 /nfs/dbraw/zinc/64/09/75/1388640975.db2.gz LASIDTNXXJNRBS-UHFFFAOYSA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001328112212 1388676227 /nfs/dbraw/zinc/67/62/27/1388676227.db2.gz CGTUMWJRJWITQJ-PKOBYXMFSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001328112212 1388676229 /nfs/dbraw/zinc/67/62/29/1388676229.db2.gz CGTUMWJRJWITQJ-PKOBYXMFSA-N 1 3 345.531 3.305 10 0 EGAEHO Brc1cc(CNCc2ccnn2-c2cc[nH+]cc2)cs1 ZINC001308256415 1384113677 /nfs/dbraw/zinc/11/36/77/1384113677.db2.gz IMXWFADCRGYMCX-UHFFFAOYSA-N 1 3 349.257 3.381 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001316772881 1384571580 /nfs/dbraw/zinc/57/15/80/1384571580.db2.gz LWBZDKCGMLHEKJ-SIJIIQCFSA-N 1 3 343.943 3.078 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810851 1384606922 /nfs/dbraw/zinc/60/69/22/1384606922.db2.gz JQICKQLQHDYFDA-DKRLNXSXSA-N 1 3 346.519 3.224 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810851 1384606920 /nfs/dbraw/zinc/60/69/20/1384606920.db2.gz JQICKQLQHDYFDA-DKRLNXSXSA-N 1 3 346.519 3.224 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001317164638 1384928056 /nfs/dbraw/zinc/92/80/56/1384928056.db2.gz ZGVCXRRVYRZHQF-UXHICEINSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317208257 1384983920 /nfs/dbraw/zinc/98/39/20/1384983920.db2.gz XRSUAKNRUBPBKC-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317208257 1384983923 /nfs/dbraw/zinc/98/39/23/1384983923.db2.gz XRSUAKNRUBPBKC-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355782 1385102196 /nfs/dbraw/zinc/10/21/96/1385102196.db2.gz MOABEPHNSXPUOV-SJORKVTESA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1)N1CCCCC1 ZINC001317423189 1385130161 /nfs/dbraw/zinc/13/01/61/1385130161.db2.gz LQRVPQGMZMUBDI-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NCCC[C@@H]1CCC[N@H+]1CCC1CC1)N1CCCCC1 ZINC001317423189 1385130163 /nfs/dbraw/zinc/13/01/63/1385130163.db2.gz LQRVPQGMZMUBDI-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317445956 1385146413 /nfs/dbraw/zinc/14/64/13/1385146413.db2.gz OWTIOTNHTZBHMN-GBESFXJTSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001317445956 1385146414 /nfs/dbraw/zinc/14/64/14/1385146414.db2.gz OWTIOTNHTZBHMN-GBESFXJTSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723353 1385423852 /nfs/dbraw/zinc/42/38/52/1385423852.db2.gz GBEWVQNYTIGTQK-VQTJNVASSA-N 1 3 343.515 3.106 10 0 EGAEHO CCCC[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001317725327 1385425410 /nfs/dbraw/zinc/42/54/10/1385425410.db2.gz SIHOHXVESRQQJJ-AZUAARDMSA-N 1 3 345.531 3.498 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317810157 1385507648 /nfs/dbraw/zinc/50/76/48/1385507648.db2.gz YONOQZKCGYIUGI-PMACEKPBSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317810157 1385507652 /nfs/dbraw/zinc/50/76/52/1385507652.db2.gz YONOQZKCGYIUGI-PMACEKPBSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686712 1385840295 /nfs/dbraw/zinc/84/02/95/1385840295.db2.gz REQATFQTIRVXKC-PZJWPPBQSA-N 1 3 347.547 3.234 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001319044455 1385944784 /nfs/dbraw/zinc/94/47/84/1385944784.db2.gz QCQFPAONAPXZCL-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C(C)C)N(C)C ZINC001319478187 1386139849 /nfs/dbraw/zinc/13/98/49/1386139849.db2.gz RUCLXEZRVADUNJ-VQIMIIECSA-N 1 3 333.520 3.087 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592304 1386194709 /nfs/dbraw/zinc/19/47/09/1386194709.db2.gz IPJVPIHKSKHWAK-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830799 1386324194 /nfs/dbraw/zinc/32/41/94/1386324194.db2.gz GPTBELDTPNCOSX-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001698651642 1406302041 /nfs/dbraw/zinc/30/20/41/1406302041.db2.gz IJLCGIJTBFXSAL-TZIWHRDSSA-N 1 3 345.531 3.018 10 0 EGAEHO Cc1ccccc1C[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001329257237 1389038982 /nfs/dbraw/zinc/03/89/82/1389038982.db2.gz ZDDDIXANUJSLBK-UHFFFAOYSA-N 1 3 345.531 3.194 10 0 EGAEHO CC[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001329341827 1389068429 /nfs/dbraw/zinc/06/84/29/1389068429.db2.gz HFDNXLJKPDSYPN-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001329591579 1389170757 /nfs/dbraw/zinc/17/07/57/1389170757.db2.gz CKCKINPJUIUQHE-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001329591579 1389170760 /nfs/dbraw/zinc/17/07/60/1389170760.db2.gz CKCKINPJUIUQHE-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001486441662 1391008529 /nfs/dbraw/zinc/00/85/29/1391008529.db2.gz QZFCOTIPCSJFCE-OAHLLOKOSA-N 1 3 346.519 3.058 10 0 EGAEHO CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001698802161 1406479595 /nfs/dbraw/zinc/47/95/95/1406479595.db2.gz BWFHVUNWTGJWKP-ZWKOTPCHSA-N 1 3 337.552 3.314 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001479500461 1392257652 /nfs/dbraw/zinc/25/76/52/1392257652.db2.gz FWOQWIJVYHBFLT-HKVOBHHDSA-N 1 3 349.563 3.386 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C)cc1C ZINC001479815692 1392408589 /nfs/dbraw/zinc/40/85/89/1392408589.db2.gz LGZQVRCRXWBIQR-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C)cc1C ZINC001479815692 1392408592 /nfs/dbraw/zinc/40/85/92/1392408592.db2.gz LGZQVRCRXWBIQR-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001479895948 1392464625 /nfs/dbraw/zinc/46/46/25/1392464625.db2.gz DZCWQDFTNSSTRM-OVKVCFKUSA-N 1 3 335.536 3.140 10 0 EGAEHO CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480100682 1392585010 /nfs/dbraw/zinc/58/50/10/1392585010.db2.gz PGVTVLWXUVBFIS-BGYRXZFFSA-N 1 3 343.515 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001480412537 1392747731 /nfs/dbraw/zinc/74/77/31/1392747731.db2.gz JVEXVAZGBQNJOP-UHFFFAOYSA-N 1 3 349.494 3.013 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703349 1392866394 /nfs/dbraw/zinc/86/63/94/1392866394.db2.gz YGRWAHDYIUCIDN-MOPGFXCFSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480723278 1392885718 /nfs/dbraw/zinc/88/57/18/1392885718.db2.gz BOTAQBZUSRBYLC-SFHVURJKSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480723278 1392885719 /nfs/dbraw/zinc/88/57/19/1392885719.db2.gz BOTAQBZUSRBYLC-SFHVURJKSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001490808297 1394352392 /nfs/dbraw/zinc/35/23/92/1394352392.db2.gz BHUMTOAMLIJUHJ-KDURUIRLSA-N 1 3 335.536 3.118 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001481744077 1394489616 /nfs/dbraw/zinc/48/96/16/1394489616.db2.gz JRURWBPKCVVTBH-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001481744077 1394489619 /nfs/dbraw/zinc/48/96/19/1394489619.db2.gz JRURWBPKCVVTBH-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1=CCCCC1 ZINC001481883801 1394577692 /nfs/dbraw/zinc/57/76/92/1394577692.db2.gz YXOXSZAXBQBNGN-FQEVSTJZSA-N 1 3 343.515 3.347 10 0 EGAEHO CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001698955894 1406703590 /nfs/dbraw/zinc/70/35/90/1406703590.db2.gz CXLLDXFIDCJLPV-LJQANCHMSA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001698955894 1406703592 /nfs/dbraw/zinc/70/35/92/1406703592.db2.gz CXLLDXFIDCJLPV-LJQANCHMSA-N 1 3 339.568 3.179 10 0 EGAEHO CCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001482481644 1395035192 /nfs/dbraw/zinc/03/51/92/1395035192.db2.gz PAGSKPWYZCTBLK-MSOLQXFVSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)=CCN(C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001484556421 1395436241 /nfs/dbraw/zinc/43/62/41/1395436241.db2.gz WGQGILHGYYFVKW-UHFFFAOYSA-N 1 3 343.515 3.043 10 0 EGAEHO C[NH+](C)CCCCC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001484875802 1395579603 /nfs/dbraw/zinc/57/96/03/1395579603.db2.gz RUDNULRISKDHDH-UHFFFAOYSA-N 1 3 343.515 3.150 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001484975848 1395615746 /nfs/dbraw/zinc/61/57/46/1395615746.db2.gz JNPHFHNYWDJJJN-MSOLQXFVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001484975848 1395615749 /nfs/dbraw/zinc/61/57/49/1395615749.db2.gz JNPHFHNYWDJJJN-MSOLQXFVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930740 1396170207 /nfs/dbraw/zinc/17/02/07/1396170207.db2.gz XQQSKQAIUYWFKK-WMZOPIPTSA-N 1 3 337.552 3.122 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960204 1396174074 /nfs/dbraw/zinc/17/40/74/1396174074.db2.gz BKQLVNLDUPEHMD-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC001486235071 1396185703 /nfs/dbraw/zinc/18/57/03/1396185703.db2.gz RFRIOUXGBGPPNB-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCc1ccccc1C[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001486365059 1396193575 /nfs/dbraw/zinc/19/35/75/1396193575.db2.gz ODCXFYLYXMJDHB-FQEVSTJZSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001486365059 1396193579 /nfs/dbraw/zinc/19/35/79/1396193579.db2.gz ODCXFYLYXMJDHB-FQEVSTJZSA-N 1 3 345.531 3.012 10 0 EGAEHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001494072823 1396351324 /nfs/dbraw/zinc/35/13/24/1396351324.db2.gz GJKGRNNGGXVDIW-LJQANCHMSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001494072823 1396351329 /nfs/dbraw/zinc/35/13/29/1396351329.db2.gz GJKGRNNGGXVDIW-LJQANCHMSA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001497268723 1396740804 /nfs/dbraw/zinc/74/08/04/1396740804.db2.gz PDLWETPZKYFFQE-APWZRJJASA-N 1 3 347.547 3.309 10 0 EGAEHO CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)CN(C)C1CCC1 ZINC001497400904 1396755467 /nfs/dbraw/zinc/75/54/67/1396755467.db2.gz MGVBLIIDTSEGOO-GOSISDBHSA-N 1 3 345.531 3.287 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1)N(C)C ZINC001497969639 1396894011 /nfs/dbraw/zinc/89/40/11/1396894011.db2.gz ZIJDBZMTGMNUHD-SJLPKXTDSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)[C@H](C)c1ccccc1 ZINC001689353668 1403685372 /nfs/dbraw/zinc/68/53/72/1403685372.db2.gz JVMFCYBBWSBEQT-QUCCMNQESA-N 1 3 345.531 3.402 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001689353668 1403685380 /nfs/dbraw/zinc/68/53/80/1403685380.db2.gz JVMFCYBBWSBEQT-QUCCMNQESA-N 1 3 345.531 3.402 10 0 EGAEHO CC[C@H](F)CN1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365347 1403704861 /nfs/dbraw/zinc/70/48/61/1403704861.db2.gz DJWSSNISXSUQPT-DLBZAZTESA-N 1 3 343.531 3.073 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)CN(C)C(C)C)c1 ZINC001689891166 1404187711 /nfs/dbraw/zinc/18/77/11/1404187711.db2.gz RQOXJTVUBAIDEO-GOSISDBHSA-N 1 3 333.520 3.143 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)CN(C)C(C)C)c1 ZINC001689891166 1404187712 /nfs/dbraw/zinc/18/77/12/1404187712.db2.gz RQOXJTVUBAIDEO-GOSISDBHSA-N 1 3 333.520 3.143 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001690370379 1404501257 /nfs/dbraw/zinc/50/12/57/1404501257.db2.gz UINRYZQOPSRAEJ-AHRSYUTCSA-N 1 3 345.531 3.448 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001690427892 1404554357 /nfs/dbraw/zinc/55/43/57/1404554357.db2.gz XTXYBPQGTVCWGV-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@H](C(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001690535371 1404624885 /nfs/dbraw/zinc/62/48/85/1404624885.db2.gz IKAOQFYYYIDHCQ-LFUZSFIQSA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001690574909 1404637435 /nfs/dbraw/zinc/63/74/35/1404637435.db2.gz KMZGXZBJJPHLRF-JXFKEZNVSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCCC1CCCC1 ZINC001690575705 1404637805 /nfs/dbraw/zinc/63/78/05/1404637805.db2.gz YOOOYKJMBRGRFZ-KRWDZBQOSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001691228407 1405168242 /nfs/dbraw/zinc/16/82/42/1405168242.db2.gz KOIPTFJPAUPEFP-KSZLIROESA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001691402551 1405240577 /nfs/dbraw/zinc/24/05/77/1405240577.db2.gz NBWQABXWVJYYTG-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001691402551 1405240581 /nfs/dbraw/zinc/24/05/81/1405240581.db2.gz NBWQABXWVJYYTG-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001691476819 1405293795 /nfs/dbraw/zinc/29/37/95/1405293795.db2.gz RIJWKQYKKLGODN-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691586277 1405347677 /nfs/dbraw/zinc/34/76/77/1405347677.db2.gz XRYPBVBUZZUIJL-XUVXKRRUSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001691726678 1405450167 /nfs/dbraw/zinc/45/01/67/1405450167.db2.gz CGMWFPPRZXKKMQ-APWZRJJASA-N 1 3 344.503 3.059 10 0 EGAEHO CC(C)N(C/C=C\Cl)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691760316 1405476369 /nfs/dbraw/zinc/47/63/69/1405476369.db2.gz ROUFKWUVLMVWCI-XRMLWCHGSA-N 1 3 343.943 3.076 10 0 EGAEHO Cc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001692101668 1405771859 /nfs/dbraw/zinc/77/18/59/1405771859.db2.gz IXNNWHPLDTWHJC-XLIONFOSSA-N 1 3 345.531 3.052 10 0 EGAEHO CCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001692118317 1405780929 /nfs/dbraw/zinc/78/09/29/1405780929.db2.gz MAOBYWMUHRBVMC-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692169809 1405819245 /nfs/dbraw/zinc/81/92/45/1405819245.db2.gz OFSJETOWEIFWGG-YZGWKJHDSA-N 1 3 349.563 3.409 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692169809 1405819252 /nfs/dbraw/zinc/81/92/52/1405819252.db2.gz OFSJETOWEIFWGG-YZGWKJHDSA-N 1 3 349.563 3.409 10 0 EGAEHO C[C@H](c1cccc(F)c1)N(C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001692258006 1405887120 /nfs/dbraw/zinc/88/71/20/1405887120.db2.gz ZRCOAGAYZLTBIE-APWZRJJASA-N 1 3 349.494 3.151 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601962 1406227384 /nfs/dbraw/zinc/22/73/84/1406227384.db2.gz XQTIMPYXTHEVFK-OALUTQOASA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698602313 1406228231 /nfs/dbraw/zinc/22/82/31/1406228231.db2.gz XIJHHHQJRMSMDM-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001732085935 1428345220 /nfs/dbraw/zinc/34/52/20/1428345220.db2.gz BZSMMOBZMYVMHQ-YJJPMGAVSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001732085935 1428345222 /nfs/dbraw/zinc/34/52/22/1428345222.db2.gz BZSMMOBZMYVMHQ-YJJPMGAVSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732150174 1428393974 /nfs/dbraw/zinc/39/39/74/1428393974.db2.gz VTWNNRQZOAJWGW-PMACEKPBSA-N 1 3 343.515 3.083 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001732303589 1428520698 /nfs/dbraw/zinc/52/06/98/1428520698.db2.gz VFPAYTDPPPOSCO-HXUWFJFHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001732396093 1428563680 /nfs/dbraw/zinc/56/36/80/1428563680.db2.gz GRZORSWZCRGAOM-DLBZAZTESA-N 1 3 341.515 3.016 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001699345924 1412654925 /nfs/dbraw/zinc/65/49/25/1412654925.db2.gz RKMHTIJEWUUTFE-UCFODXPJSA-N 1 3 333.520 3.013 10 0 EGAEHO C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001699421920 1412737100 /nfs/dbraw/zinc/73/71/00/1412737100.db2.gz DCKULLJNZIYDLR-HNAYVOBHSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCC1 ZINC001699463407 1412822322 /nfs/dbraw/zinc/82/23/22/1412822322.db2.gz HGAHQIRAAPGCDP-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC1CCC1 ZINC001699463407 1412822327 /nfs/dbraw/zinc/82/23/27/1412822327.db2.gz HGAHQIRAAPGCDP-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1C ZINC001699474176 1412862577 /nfs/dbraw/zinc/86/25/77/1412862577.db2.gz KFWFIXGJIFDIKO-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1C ZINC001699474176 1412862583 /nfs/dbraw/zinc/86/25/83/1412862583.db2.gz KFWFIXGJIFDIKO-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001699847921 1413277223 /nfs/dbraw/zinc/27/72/23/1413277223.db2.gz ZSAXNCHOCKUKJT-HXUWFJFHSA-N 1 3 339.568 3.229 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001700064763 1413482119 /nfs/dbraw/zinc/48/21/19/1413482119.db2.gz DYUABQXMPSAKAP-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700225308 1413677302 /nfs/dbraw/zinc/67/73/02/1413677302.db2.gz BIAAOQRQGFNSFQ-UYAOXDASSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700225308 1413677303 /nfs/dbraw/zinc/67/73/03/1413677303.db2.gz BIAAOQRQGFNSFQ-UYAOXDASSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccsc1 ZINC001700328038 1413799282 /nfs/dbraw/zinc/79/92/82/1413799282.db2.gz FYWANMCHHYDDNK-HNNXBMFYSA-N 1 3 345.512 3.108 10 0 EGAEHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732584816 1428796348 /nfs/dbraw/zinc/79/63/48/1428796348.db2.gz CHVJCWMCPRASSD-APWZRJJASA-N 1 3 349.494 3.151 10 0 EGAEHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001732584816 1428796351 /nfs/dbraw/zinc/79/63/51/1428796351.db2.gz CHVJCWMCPRASSD-APWZRJJASA-N 1 3 349.494 3.151 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001700766469 1414441914 /nfs/dbraw/zinc/44/19/14/1414441914.db2.gz GDPCIYKGIAFLBB-APWZRJJASA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001700766469 1414441917 /nfs/dbraw/zinc/44/19/17/1414441917.db2.gz GDPCIYKGIAFLBB-APWZRJJASA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767757 1414444180 /nfs/dbraw/zinc/44/41/80/1414444180.db2.gz LBJVTRXIWTXHAS-LPHOPBHVSA-N 1 3 349.494 3.025 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001700822086 1414478639 /nfs/dbraw/zinc/47/86/39/1414478639.db2.gz ISPUVVUXDJZFAW-FUHWJXTLSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001701007272 1414664022 /nfs/dbraw/zinc/66/40/22/1414664022.db2.gz VHYBPIQEFFYPQI-LXORQPIJSA-N 1 3 349.563 3.291 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001732690402 1428911450 /nfs/dbraw/zinc/91/14/50/1428911450.db2.gz OVJSGKQLYFUFDO-QUCCMNQESA-N 1 3 345.531 3.161 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732801008 1428980564 /nfs/dbraw/zinc/98/05/64/1428980564.db2.gz DXWNTVXGNWAVBZ-QZTJIDSGSA-N 1 3 349.544 3.012 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001732801008 1428980566 /nfs/dbraw/zinc/98/05/66/1428980566.db2.gz DXWNTVXGNWAVBZ-QZTJIDSGSA-N 1 3 349.544 3.012 10 0 EGAEHO CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)[C@H]1CCCCN1CC ZINC001732811958 1428990238 /nfs/dbraw/zinc/99/02/38/1428990238.db2.gz HJSRSFRKZJRBNA-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)C1 ZINC001707051758 1417164719 /nfs/dbraw/zinc/16/47/19/1417164719.db2.gz SSWWKYZEEZPUTA-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)C1 ZINC001707051758 1417164722 /nfs/dbraw/zinc/16/47/22/1417164722.db2.gz SSWWKYZEEZPUTA-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001707057666 1417173191 /nfs/dbraw/zinc/17/31/91/1417173191.db2.gz ARHYHBJPGXWBGT-KSZLIROESA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1C[C@H](C)CC(C)C ZINC001707198056 1417240376 /nfs/dbraw/zinc/24/03/76/1417240376.db2.gz OQCQWALNGXSLGC-CEXWTWQISA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1C[C@H](C)CC(C)C ZINC001707198056 1417240381 /nfs/dbraw/zinc/24/03/81/1417240381.db2.gz OQCQWALNGXSLGC-CEXWTWQISA-N 1 3 349.563 3.266 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001713208314 1417778612 /nfs/dbraw/zinc/77/86/12/1417778612.db2.gz ISRGHBSLZXJMHF-KDURUIRLSA-N 1 3 331.504 3.035 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275292 1417893688 /nfs/dbraw/zinc/89/36/88/1417893688.db2.gz GVTVQSFOLCZYDZ-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275292 1417893694 /nfs/dbraw/zinc/89/36/94/1417893694.db2.gz GVTVQSFOLCZYDZ-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713563372 1418366554 /nfs/dbraw/zinc/36/65/54/1418366554.db2.gz KATTXNIGJWYHFV-VQTJNVASSA-N 1 3 345.531 3.084 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001713563372 1418366558 /nfs/dbraw/zinc/36/65/58/1418366558.db2.gz KATTXNIGJWYHFV-VQTJNVASSA-N 1 3 345.531 3.084 10 0 EGAEHO CC(C)C[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001713692478 1418446696 /nfs/dbraw/zinc/44/66/96/1418446696.db2.gz JOCOFDRPNXEFNR-SFHVURJKSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)C[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001713692478 1418446698 /nfs/dbraw/zinc/44/66/98/1418446698.db2.gz JOCOFDRPNXEFNR-SFHVURJKSA-N 1 3 325.541 3.122 10 0 EGAEHO CC1CCC(C[N@@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001714036308 1418825280 /nfs/dbraw/zinc/82/52/80/1418825280.db2.gz RXIGXTCKGZQHFY-ACBHZAAOSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CCC(C[N@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001714036308 1418825282 /nfs/dbraw/zinc/82/52/82/1418825282.db2.gz RXIGXTCKGZQHFY-ACBHZAAOSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001714302696 1419082826 /nfs/dbraw/zinc/08/28/26/1419082826.db2.gz JCUALGJRCXWVEY-IYARVYRRSA-N 1 3 337.552 3.458 10 0 EGAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001714323556 1419102157 /nfs/dbraw/zinc/10/21/57/1419102157.db2.gz LVCJXVYQBWYVFJ-LUUVYUSYSA-N 1 3 349.906 3.018 10 0 EGAEHO CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001714330232 1419109774 /nfs/dbraw/zinc/10/97/74/1419109774.db2.gz GKDCHESKBQKYCH-HXUWFJFHSA-N 1 3 349.563 3.434 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001714455160 1419187869 /nfs/dbraw/zinc/18/78/69/1419187869.db2.gz VJMGHRMNJMPYFC-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001714455160 1419187871 /nfs/dbraw/zinc/18/78/71/1419187871.db2.gz VJMGHRMNJMPYFC-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CCN(CC=C(C)C)C1 ZINC001714856670 1419574397 /nfs/dbraw/zinc/57/43/97/1419574397.db2.gz RWRRPJCYSDNRJI-RBUKOAKNSA-N 1 3 335.536 3.138 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCN(CC=C(C)C)C1 ZINC001714856670 1419574400 /nfs/dbraw/zinc/57/44/00/1419574400.db2.gz RWRRPJCYSDNRJI-RBUKOAKNSA-N 1 3 335.536 3.138 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226542 1429352887 /nfs/dbraw/zinc/35/28/87/1429352887.db2.gz OLZZQGLILBSSSK-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226542 1429352893 /nfs/dbraw/zinc/35/28/93/1429352893.db2.gz OLZZQGLILBSSSK-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCN1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226542 1429352901 /nfs/dbraw/zinc/35/29/01/1429352901.db2.gz OLZZQGLILBSSSK-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001715210636 1419943544 /nfs/dbraw/zinc/94/35/44/1419943544.db2.gz SGDINAOYMZEXPZ-DHJFXDNESA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001715708744 1420304513 /nfs/dbraw/zinc/30/45/13/1420304513.db2.gz PLXSCWSZEOKFMH-MRXNPFEDSA-N 1 3 331.504 3.036 10 0 EGAEHO CCCN(C)CC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716888880 1421012776 /nfs/dbraw/zinc/01/27/76/1421012776.db2.gz OBNIQNAJNHZNKD-UHFFFAOYSA-N 1 3 335.536 3.047 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001717117075 1421121156 /nfs/dbraw/zinc/12/11/56/1421121156.db2.gz ZUXDIRUALPICFD-LPHOPBHVSA-N 1 3 349.494 3.186 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001717117075 1421121158 /nfs/dbraw/zinc/12/11/58/1421121158.db2.gz ZUXDIRUALPICFD-LPHOPBHVSA-N 1 3 349.494 3.186 10 0 EGAEHO CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001717235890 1421204285 /nfs/dbraw/zinc/20/42/85/1421204285.db2.gz CBNSAVGMGBSPPX-ACBHZAAOSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001717278108 1421231332 /nfs/dbraw/zinc/23/13/32/1421231332.db2.gz GDACOGYNAVZZPH-YZPMEYCISA-N 1 3 349.563 3.434 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001717394758 1421330503 /nfs/dbraw/zinc/33/05/03/1421330503.db2.gz SPCMHEPIUXOELW-SOAGJPPSSA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001717452412 1421381993 /nfs/dbraw/zinc/38/19/93/1421381993.db2.gz CMWZKKYORHXNTF-MRXNPFEDSA-N 1 3 343.531 3.073 10 0 EGAEHO CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001717542892 1421483422 /nfs/dbraw/zinc/48/34/22/1421483422.db2.gz NUZBJYLVXMXAFQ-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001717542892 1421483424 /nfs/dbraw/zinc/48/34/24/1421483424.db2.gz NUZBJYLVXMXAFQ-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001717587839 1421516566 /nfs/dbraw/zinc/51/65/66/1421516566.db2.gz MXBVVVKKIMGTGJ-LJQANCHMSA-N 1 3 345.531 3.054 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001717587839 1421516569 /nfs/dbraw/zinc/51/65/69/1421516569.db2.gz MXBVVVKKIMGTGJ-LJQANCHMSA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC001717630235 1421539554 /nfs/dbraw/zinc/53/95/54/1421539554.db2.gz JHPREKFPESUBSO-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC001717630235 1421539559 /nfs/dbraw/zinc/53/95/59/1421539559.db2.gz JHPREKFPESUBSO-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001717856272 1421668658 /nfs/dbraw/zinc/66/86/58/1421668658.db2.gz QTPVXIMQBGMLME-QZTJIDSGSA-N 1 3 335.536 3.164 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001717856272 1421668664 /nfs/dbraw/zinc/66/86/64/1421668664.db2.gz QTPVXIMQBGMLME-QZTJIDSGSA-N 1 3 335.536 3.164 10 0 EGAEHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881865 1421685902 /nfs/dbraw/zinc/68/59/02/1421685902.db2.gz VXGFBADSRATXPJ-RBUKOAKNSA-N 1 3 349.563 3.339 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001717888144 1421689095 /nfs/dbraw/zinc/68/90/95/1421689095.db2.gz YVGFGAWPMCGZMG-LPHOPBHVSA-N 1 3 331.504 3.036 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001733361942 1429546502 /nfs/dbraw/zinc/54/65/02/1429546502.db2.gz MBPPOBPQFQCSDS-SFHVURJKSA-N 1 3 345.531 3.367 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001733457439 1429676949 /nfs/dbraw/zinc/67/69/49/1429676949.db2.gz DKCLHMKQWNYWSA-WBWXQYNJSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001733457439 1429676950 /nfs/dbraw/zinc/67/69/50/1429676950.db2.gz DKCLHMKQWNYWSA-WBWXQYNJSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC001733457698 1429678012 /nfs/dbraw/zinc/67/80/12/1429678012.db2.gz AOQLUQOKIOWCBY-AZUAARDMSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)C)C1 ZINC001733457698 1429678015 /nfs/dbraw/zinc/67/80/15/1429678015.db2.gz AOQLUQOKIOWCBY-AZUAARDMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001733459040 1429680215 /nfs/dbraw/zinc/68/02/15/1429680215.db2.gz LAEDTEMYPMXKRF-VSQWLSRBSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001733459040 1429680219 /nfs/dbraw/zinc/68/02/19/1429680219.db2.gz LAEDTEMYPMXKRF-VSQWLSRBSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cc2ccccc2s1 ZINC001722916984 1424255314 /nfs/dbraw/zinc/25/53/14/1424255314.db2.gz QJEXSPPXBUSELS-OAHLLOKOSA-N 1 3 347.528 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cc2ccccc2s1 ZINC001722916984 1424255317 /nfs/dbraw/zinc/25/53/17/1424255317.db2.gz QJEXSPPXBUSELS-OAHLLOKOSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045511 1425475592 /nfs/dbraw/zinc/47/55/92/1425475592.db2.gz ZFOKRJIBHVVDOM-MSOLQXFVSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045511 1425475597 /nfs/dbraw/zinc/47/55/97/1425475597.db2.gz ZFOKRJIBHVVDOM-MSOLQXFVSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001725061907 1425503064 /nfs/dbraw/zinc/50/30/64/1425503064.db2.gz ZQWPHELSXBIIOF-KRWDZBQOSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001725061907 1425503070 /nfs/dbraw/zinc/50/30/70/1425503070.db2.gz ZQWPHELSXBIIOF-KRWDZBQOSA-N 1 3 325.541 3.076 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001725094461 1425537467 /nfs/dbraw/zinc/53/74/67/1425537467.db2.gz PDEFTGXFWRJKRE-JKSUJKDBSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001725132973 1425603683 /nfs/dbraw/zinc/60/36/83/1425603683.db2.gz XMGHAXUVQYVEJP-DLBZAZTESA-N 1 3 339.483 3.045 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CC(NCc2ccccc2F)C1)[NH+](CC)CC ZINC001725786694 1426472770 /nfs/dbraw/zinc/47/27/70/1426472770.db2.gz NTCIKFOQZVUWKR-FAFZWHIHSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423808 1427403547 /nfs/dbraw/zinc/40/35/47/1427403547.db2.gz CCCOXMXQOQMWSE-RBUKOAKNSA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423808 1427403548 /nfs/dbraw/zinc/40/35/48/1427403548.db2.gz CCCOXMXQOQMWSE-RBUKOAKNSA-N 1 3 339.568 3.179 10 0 EGAEHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001731565435 1427604349 /nfs/dbraw/zinc/60/43/49/1427604349.db2.gz KXQYEPGIUQQKAV-XQIVIYOKSA-N 1 3 347.547 3.042 10 0 EGAEHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001731565435 1427604351 /nfs/dbraw/zinc/60/43/51/1427604351.db2.gz KXQYEPGIUQQKAV-XQIVIYOKSA-N 1 3 347.547 3.042 10 0 EGAEHO CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731710950 1427767772 /nfs/dbraw/zinc/76/77/72/1427767772.db2.gz MHHGMHNRXUGVLR-SFHVURJKSA-N 1 3 339.568 3.467 10 0 EGAEHO CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731710950 1427767777 /nfs/dbraw/zinc/76/77/77/1427767777.db2.gz MHHGMHNRXUGVLR-SFHVURJKSA-N 1 3 339.568 3.467 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC001731761757 1427866264 /nfs/dbraw/zinc/86/62/64/1427866264.db2.gz YALKQKPTCRDGOA-LJQANCHMSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC001731761757 1427866273 /nfs/dbraw/zinc/86/62/73/1427866273.db2.gz YALKQKPTCRDGOA-LJQANCHMSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731987922 1428198580 /nfs/dbraw/zinc/19/85/80/1428198580.db2.gz OQVKDVPAEDVNSO-QGZVFWFLSA-N 1 3 347.547 3.433 10 0 EGAEHO C[N@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001733938227 1437753374 /nfs/dbraw/zinc/75/33/74/1437753374.db2.gz GWPUJCNKIVRARS-FQEVSTJZSA-N 1 3 349.563 3.366 10 0 EGAEHO C[N@@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001733938227 1437753378 /nfs/dbraw/zinc/75/33/78/1437753378.db2.gz GWPUJCNKIVRARS-FQEVSTJZSA-N 1 3 349.563 3.366 10 0 EGAEHO CC(C)c1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001734150028 1437917362 /nfs/dbraw/zinc/91/73/62/1437917362.db2.gz OHJFLMDYLHOOIP-IBGZPJMESA-N 1 3 345.531 3.088 10 0 EGAEHO Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2nc[nH]c2C)c(C)s1 ZINC001734262119 1437979704 /nfs/dbraw/zinc/97/97/04/1437979704.db2.gz WWBILKPVVHARIP-GFCCVEGCSA-N 1 3 348.516 3.014 10 0 EGAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001734286532 1438014987 /nfs/dbraw/zinc/01/49/87/1438014987.db2.gz QVEJRSADCVVBCA-QGZVFWFLSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001734398038 1438081458 /nfs/dbraw/zinc/08/14/58/1438081458.db2.gz DIEMJLGUTPPCCK-IAGOWNOFSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)=CCN1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001734456715 1438113977 /nfs/dbraw/zinc/11/39/77/1438113977.db2.gz IAWQVQWIQLMXKN-RBUKOAKNSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1cccc(CN(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)C)c1 ZINC001734546932 1438142679 /nfs/dbraw/zinc/14/26/79/1438142679.db2.gz DDBWSKYNZZWRPO-UYAOXDASSA-N 1 3 345.531 3.004 10 0 EGAEHO Cc1cccc(CN(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)C)c1 ZINC001734546932 1438142680 /nfs/dbraw/zinc/14/26/80/1438142680.db2.gz DDBWSKYNZZWRPO-UYAOXDASSA-N 1 3 345.531 3.004 10 0 EGAEHO CC[NH+]1CCC(N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000095433530 218375657 /nfs/dbraw/zinc/37/56/57/218375657.db2.gz ZDKLCWJNZBAQPC-MRXNPFEDSA-N 1 3 344.421 3.025 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000353456983 141300701 /nfs/dbraw/zinc/30/07/01/141300701.db2.gz XOVRBXDNPYNCBT-QHAWAJNXSA-N 1 3 327.516 3.113 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000191463991 153198219 /nfs/dbraw/zinc/19/82/19/153198219.db2.gz WDIOTLHIVCRUBR-OAQYLSRUSA-N 1 3 347.522 3.249 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000191463991 153198224 /nfs/dbraw/zinc/19/82/24/153198224.db2.gz WDIOTLHIVCRUBR-OAQYLSRUSA-N 1 3 347.522 3.249 10 0 EGAEHO CCCCOC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195184151 275231095 /nfs/dbraw/zinc/23/10/95/275231095.db2.gz BDYWUGZZJMLZQY-ICSRJNTNSA-N 1 3 340.552 3.141 10 0 EGAEHO CCCCOC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000195184151 275231096 /nfs/dbraw/zinc/23/10/96/275231096.db2.gz BDYWUGZZJMLZQY-ICSRJNTNSA-N 1 3 340.552 3.141 10 0 EGAEHO C[C@@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000278831070 275278972 /nfs/dbraw/zinc/27/89/72/275278972.db2.gz TZITVOLKMYOYJR-YYIAUSFCSA-N 1 3 342.405 3.085 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367617034 279083733 /nfs/dbraw/zinc/08/37/33/279083733.db2.gz PIYANVSVUCXGPA-AQNXPRMDSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367617034 279083736 /nfs/dbraw/zinc/08/37/36/279083736.db2.gz PIYANVSVUCXGPA-AQNXPRMDSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000367617034 279083737 /nfs/dbraw/zinc/08/37/37/279083737.db2.gz PIYANVSVUCXGPA-AQNXPRMDSA-N 1 3 343.515 3.131 10 0 EGAEHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000349713908 279109215 /nfs/dbraw/zinc/10/92/15/279109215.db2.gz BUQPIKZJYOUUIV-IBGZPJMESA-N 1 3 334.504 3.465 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000248549739 308005366 /nfs/dbraw/zinc/00/53/66/308005366.db2.gz GAVSYVMRISSZNU-PGRDOPGGSA-N 1 3 338.495 3.222 10 0 EGAEHO Fc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000414564180 309089681 /nfs/dbraw/zinc/08/96/81/309089681.db2.gz CLZPDSHIABIJJZ-GOSISDBHSA-N 1 3 340.446 3.058 10 0 EGAEHO CCCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](CC)c1ccccc1 ZINC000414691036 309095600 /nfs/dbraw/zinc/09/56/00/309095600.db2.gz IKGIBVOAAMVPIF-ICSRJNTNSA-N 1 3 345.531 3.437 10 0 EGAEHO CCCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](CC)c1ccccc1 ZINC000414691036 309095601 /nfs/dbraw/zinc/09/56/01/309095601.db2.gz IKGIBVOAAMVPIF-ICSRJNTNSA-N 1 3 345.531 3.437 10 0 EGAEHO Cc1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc(C)c1O ZINC000298697708 308633813 /nfs/dbraw/zinc/63/38/13/308633813.db2.gz OCFYZZKVWDCGTI-UHFFFAOYSA-N 1 3 328.456 3.239 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414930382 309109869 /nfs/dbraw/zinc/10/98/69/309109869.db2.gz ASPVKCAODISQOH-UEKVPHQBSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414930382 309109870 /nfs/dbraw/zinc/10/98/70/309109870.db2.gz ASPVKCAODISQOH-UEKVPHQBSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccccc1C(=O)N(C)C ZINC000417862868 309225721 /nfs/dbraw/zinc/22/57/21/309225721.db2.gz DLEWVTPIBRERBO-KRWDZBQOSA-N 1 3 331.504 3.133 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccccc1C(=O)N(C)C ZINC000417862868 309225722 /nfs/dbraw/zinc/22/57/22/309225722.db2.gz DLEWVTPIBRERBO-KRWDZBQOSA-N 1 3 331.504 3.133 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000421369935 309320974 /nfs/dbraw/zinc/32/09/74/309320974.db2.gz BLHYWIIVPWNJRA-VQTJNVASSA-N 1 3 345.531 3.266 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707019 309364071 /nfs/dbraw/zinc/36/40/71/309364071.db2.gz GLMCYCNKRNPIGE-UAFMIMERSA-N 1 3 333.495 3.329 10 0 EGAEHO Fc1ccc(F)c(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816760 309369888 /nfs/dbraw/zinc/36/98/88/309369888.db2.gz BGXIZARGJZDUCN-QUCCMNQESA-N 1 3 344.405 3.353 10 0 EGAEHO [NH3+]CC1CCC(NCc2nccn2CCCc2ccccc2)CC1 ZINC000422825396 309370313 /nfs/dbraw/zinc/37/03/13/309370313.db2.gz ADWNMYCBSKEOQK-UHFFFAOYSA-N 1 3 326.488 3.123 10 0 EGAEHO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422915525 309376034 /nfs/dbraw/zinc/37/60/34/309376034.db2.gz BFBLLYLRNBFSIJ-ZIAGYGMSSA-N 1 3 343.471 3.148 10 0 EGAEHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000423084076 309385271 /nfs/dbraw/zinc/38/52/71/309385271.db2.gz ZSGWBGLQOGZHIK-AKHDSKFASA-N 1 3 330.520 3.222 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)CC2 ZINC000423084076 309385272 /nfs/dbraw/zinc/38/52/72/309385272.db2.gz ZSGWBGLQOGZHIK-AKHDSKFASA-N 1 3 330.520 3.222 10 0 EGAEHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1C ZINC000423158225 309388665 /nfs/dbraw/zinc/38/86/65/309388665.db2.gz CMJFLXGZMGKSLS-PLACYPQZSA-N 1 3 330.516 3.107 10 0 EGAEHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCCC[NH3+])nc1 ZINC000423196432 309390137 /nfs/dbraw/zinc/39/01/37/309390137.db2.gz VIGOBGJQFGPBOF-IBGZPJMESA-N 1 3 331.891 3.390 10 0 EGAEHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCCN)nc1 ZINC000423196432 309390138 /nfs/dbraw/zinc/39/01/38/309390138.db2.gz VIGOBGJQFGPBOF-IBGZPJMESA-N 1 3 331.891 3.390 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423293636 309394254 /nfs/dbraw/zinc/39/42/54/309394254.db2.gz RUTIOFHACSIDQR-HZPDHXFCSA-N 1 3 325.456 3.238 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCO[C@@H]2CCOC2)CC1 ZINC000449189682 310043387 /nfs/dbraw/zinc/04/33/87/310043387.db2.gz MSMHKKXKXJGQET-GOSISDBHSA-N 1 3 340.552 3.451 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2(N(C)C)CCC2)CC1 ZINC000449262563 310048484 /nfs/dbraw/zinc/04/84/84/310048484.db2.gz DNJOHDWKQUQSMH-SFHVURJKSA-N 1 3 329.532 3.156 10 0 EGAEHO COC(=O)C(C)(C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449316871 310053010 /nfs/dbraw/zinc/05/30/10/310053010.db2.gz QNTOKFVSZWWNKF-KRWDZBQOSA-N 1 3 346.515 3.261 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449403273 310059020 /nfs/dbraw/zinc/05/90/20/310059020.db2.gz PGNFHJYSQKTALE-PWRODBHTSA-N 1 3 326.484 3.223 10 0 EGAEHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CF)CCOCC2)CC1 ZINC000449488245 310066230 /nfs/dbraw/zinc/06/62/30/310066230.db2.gz FCLPDYOEFRHWLS-WMZOPIPTSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488245 310066231 /nfs/dbraw/zinc/06/62/31/310066231.db2.gz FCLPDYOEFRHWLS-WMZOPIPTSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CF)CCOCC2)CC1 ZINC000449488243 310066290 /nfs/dbraw/zinc/06/62/90/310066290.db2.gz FCLPDYOEFRHWLS-FUHWJXTLSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488243 310066291 /nfs/dbraw/zinc/06/62/91/310066291.db2.gz FCLPDYOEFRHWLS-FUHWJXTLSA-N 1 3 326.500 3.385 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449508075 310067828 /nfs/dbraw/zinc/06/78/28/310067828.db2.gz GNTVLKRZNDZAJE-OWYHZJEWSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449508075 310067829 /nfs/dbraw/zinc/06/78/29/310067829.db2.gz GNTVLKRZNDZAJE-OWYHZJEWSA-N 1 3 336.520 3.351 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124900 310259471 /nfs/dbraw/zinc/25/94/71/310259471.db2.gz ITXZILBWDWWMSM-FUHWJXTLSA-N 1 3 344.503 3.095 10 0 EGAEHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000453420135 310276142 /nfs/dbraw/zinc/27/61/42/310276142.db2.gz ZGJBRPSQOPHJCR-CQSZACIVSA-N 1 3 347.894 3.446 10 0 EGAEHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000453420135 310276143 /nfs/dbraw/zinc/27/61/43/310276143.db2.gz ZGJBRPSQOPHJCR-CQSZACIVSA-N 1 3 347.894 3.446 10 0 EGAEHO Cc1cc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc(C)c1O ZINC000459489370 310556026 /nfs/dbraw/zinc/55/60/26/310556026.db2.gz ALYQECCMGGPOBD-UHFFFAOYSA-N 1 3 325.456 3.205 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514086747 312224606 /nfs/dbraw/zinc/22/46/06/312224606.db2.gz CMYOXOUOSLHOBO-FKBYEOEOSA-N 1 3 341.543 3.156 10 0 EGAEHO C[NH+](C)CC1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527680696 312909750 /nfs/dbraw/zinc/90/97/50/312909750.db2.gz BJDDRGWONBUGQS-UHFFFAOYSA-N 1 3 344.272 3.193 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527720933 312923096 /nfs/dbraw/zinc/92/30/96/312923096.db2.gz KQMJKNCXEMVEHO-VDGAXYAQSA-N 1 3 328.500 3.038 10 0 EGAEHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000552062014 315194364 /nfs/dbraw/zinc/19/43/64/315194364.db2.gz IKLNNUFAJGMWNZ-UXHICEINSA-N 1 3 343.515 3.036 10 0 EGAEHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000552062015 315194379 /nfs/dbraw/zinc/19/43/79/315194379.db2.gz IKLNNUFAJGMWNZ-VQTJNVASSA-N 1 3 343.515 3.036 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247432 315209063 /nfs/dbraw/zinc/20/90/63/315209063.db2.gz OXROUGZCGHYPDB-WJFTUGDTSA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247432 315209066 /nfs/dbraw/zinc/20/90/66/315209066.db2.gz OXROUGZCGHYPDB-WJFTUGDTSA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247432 315209070 /nfs/dbraw/zinc/20/90/70/315209070.db2.gz OXROUGZCGHYPDB-WJFTUGDTSA-N 1 3 335.923 3.405 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000552248551 315209252 /nfs/dbraw/zinc/20/92/52/315209252.db2.gz KXWQWHCMZIYZCP-BODMPHMZSA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000552248551 315209253 /nfs/dbraw/zinc/20/92/53/315209253.db2.gz KXWQWHCMZIYZCP-BODMPHMZSA-N 1 3 335.442 3.006 10 0 EGAEHO NC[C@@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000570281878 317033243 /nfs/dbraw/zinc/03/32/43/317033243.db2.gz PAPWJADKAMHISA-UYAOXDASSA-N 1 3 343.515 3.149 10 0 EGAEHO COc1ccc(CN(C)C)cc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000570775810 317105380 /nfs/dbraw/zinc/10/53/80/317105380.db2.gz ZYUYXKZGHZWSEL-UHFFFAOYSA-N 1 3 347.503 3.207 10 0 EGAEHO c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572521336 317351164 /nfs/dbraw/zinc/35/11/64/317351164.db2.gz FMNAKSOQLDEWEL-WOJBJXKFSA-N 1 3 339.527 3.258 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000572632887 317367906 /nfs/dbraw/zinc/36/79/06/317367906.db2.gz YBFORRZWOUJKCW-OALUTQOASA-N 1 3 348.531 3.404 10 0 EGAEHO CN1CC[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475659 460570526 /nfs/dbraw/zinc/57/05/26/460570526.db2.gz WZCLUAWSLOGNPO-LSDHHAIUSA-N 1 3 330.394 3.201 10 0 EGAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc(Br)c(F)c2F)C1 ZINC000623560690 460611917 /nfs/dbraw/zinc/61/19/17/460611917.db2.gz PBFYGEZQTWHOLK-JGZJWPJOSA-N 1 3 333.220 3.157 10 0 EGAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000105862666 454662024 /nfs/dbraw/zinc/66/20/24/454662024.db2.gz BHGSZMBMZPTHGS-KBPBESRZSA-N 1 3 326.431 3.050 10 0 EGAEHO COCCOc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152688634 454713490 /nfs/dbraw/zinc/71/34/90/454713490.db2.gz VJAHDLFECYCPRI-UHFFFAOYSA-N 1 3 332.488 3.020 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425613 455047565 /nfs/dbraw/zinc/04/75/65/455047565.db2.gz OITKHJBRSZBBKR-QAPCUYQASA-N 1 3 345.512 3.239 10 0 EGAEHO COc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000180080314 455128596 /nfs/dbraw/zinc/12/85/96/455128596.db2.gz SFGVJZHXUOQOTL-IBGZPJMESA-N 1 3 340.467 3.355 10 0 EGAEHO COc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000180080314 455128598 /nfs/dbraw/zinc/12/85/98/455128598.db2.gz SFGVJZHXUOQOTL-IBGZPJMESA-N 1 3 340.467 3.355 10 0 EGAEHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000180461833 455174607 /nfs/dbraw/zinc/17/46/07/455174607.db2.gz HOJOIOMUOYDJNY-PKOBYXMFSA-N 1 3 349.906 3.074 10 0 EGAEHO C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)CN1CCO[C@H]2CCCC[C@H]21 ZINC000246853636 455530144 /nfs/dbraw/zinc/53/01/44/455530144.db2.gz DDVHPDARDNMAIT-ZRNYENFQSA-N 1 3 336.520 3.053 10 0 EGAEHO C(CC[N@H+]1CCO[C@H]2CCCC[C@H]21)CN1CCO[C@H]2CCCC[C@H]21 ZINC000246853636 455530148 /nfs/dbraw/zinc/53/01/48/455530148.db2.gz DDVHPDARDNMAIT-ZRNYENFQSA-N 1 3 336.520 3.053 10 0 EGAEHO c1cnn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248400534 455713694 /nfs/dbraw/zinc/71/36/94/455713694.db2.gz LCJDYTFVAIFSAG-PWRODBHTSA-N 1 3 338.499 3.164 10 0 EGAEHO COc1cc(CCC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000261996847 455982689 /nfs/dbraw/zinc/98/26/89/455982689.db2.gz SVXZTVCPCFGXAQ-LJQANCHMSA-N 1 3 346.515 3.348 10 0 EGAEHO COc1cc(CCC2CC[NH+](C[C@@H]3CCCNC3)CC2)cc(OC)c1 ZINC000261996847 455982695 /nfs/dbraw/zinc/98/26/95/455982695.db2.gz SVXZTVCPCFGXAQ-LJQANCHMSA-N 1 3 346.515 3.348 10 0 EGAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236939248 456205488 /nfs/dbraw/zinc/20/54/88/456205488.db2.gz SMDVVDSGAQIGPF-WDSOQIARSA-N 1 3 329.488 3.388 10 0 EGAEHO Cc1ccc2nccc(NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000302140438 456298116 /nfs/dbraw/zinc/29/81/16/456298116.db2.gz DPBARNIJFWJBMH-FQEVSTJZSA-N 1 3 326.488 3.227 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000352836772 456350996 /nfs/dbraw/zinc/35/09/96/456350996.db2.gz XNOJMAFLQGFCCQ-LPHOPBHVSA-N 1 3 343.515 3.060 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000340477080 456483997 /nfs/dbraw/zinc/48/39/97/456483997.db2.gz WZHCFHRPOJHHDX-PXNSSMCTSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000340477080 456484000 /nfs/dbraw/zinc/48/40/00/456484000.db2.gz WZHCFHRPOJHHDX-PXNSSMCTSA-N 1 3 341.503 3.221 10 0 EGAEHO CCN1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000658320346 462477483 /nfs/dbraw/zinc/47/74/83/462477483.db2.gz SGAKPMYYDREURE-HXUWFJFHSA-N 1 3 341.543 3.363 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CN1Cc1ccccc1 ZINC000353396308 456673728 /nfs/dbraw/zinc/67/37/28/456673728.db2.gz SOJXKGWWSSPIRE-RSRIQPTJSA-N 1 3 327.516 3.112 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000353410918 456683883 /nfs/dbraw/zinc/68/38/83/456683883.db2.gz XRVMZAFIUNAHNP-RWMBFGLXSA-N 1 3 329.307 3.473 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000348683304 456814709 /nfs/dbraw/zinc/81/47/09/456814709.db2.gz OUHWRIBREMFELY-ZPQVWODMSA-N 1 3 335.536 3.066 10 0 EGAEHO CC(=O)NC1CCC(NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000348683304 456814714 /nfs/dbraw/zinc/81/47/14/456814714.db2.gz OUHWRIBREMFELY-ZPQVWODMSA-N 1 3 335.536 3.066 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000353754190 456892462 /nfs/dbraw/zinc/89/24/62/456892462.db2.gz YQTSIHVPKBCGOK-RHSMWYFYSA-N 1 3 330.501 3.367 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000353754190 456892465 /nfs/dbraw/zinc/89/24/65/456892465.db2.gz YQTSIHVPKBCGOK-RHSMWYFYSA-N 1 3 330.501 3.367 10 0 EGAEHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000342080214 457096787 /nfs/dbraw/zinc/09/67/87/457096787.db2.gz HEBJPVSTYDALLN-RKCSUWQLSA-N 1 3 342.405 3.155 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412684 457540062 /nfs/dbraw/zinc/54/00/62/457540062.db2.gz BYUDJSWJBAQNBH-HKUYNNGSSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412684 457540070 /nfs/dbraw/zinc/54/00/70/457540070.db2.gz BYUDJSWJBAQNBH-HKUYNNGSSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H](CCC1CCCC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000358065851 457762397 /nfs/dbraw/zinc/76/23/97/457762397.db2.gz SUKUCONSORQSPB-QGZVFWFLSA-N 1 3 345.531 3.427 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358178640 457839500 /nfs/dbraw/zinc/83/95/00/457839500.db2.gz DKMUYKJBOOLOOS-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358178640 457839501 /nfs/dbraw/zinc/83/95/01/457839501.db2.gz DKMUYKJBOOLOOS-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423452680 458435746 /nfs/dbraw/zinc/43/57/46/458435746.db2.gz WOHMAZKTXOQINY-OAGGEKHMSA-N 1 3 338.455 3.300 10 0 EGAEHO Cc1nc2ccc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc2s1 ZINC000494188690 458638229 /nfs/dbraw/zinc/63/82/29/458638229.db2.gz LNUKYYBEXFCBJX-ROUUACIJSA-N 1 3 345.512 3.072 10 0 EGAEHO CN(c1ccccc1CNCCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000531595628 458942604 /nfs/dbraw/zinc/94/26/04/458942604.db2.gz VEQJOBAUXKEZAJ-UHFFFAOYSA-N 1 3 333.520 3.122 10 0 EGAEHO CSc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000556259934 458942976 /nfs/dbraw/zinc/94/29/76/458942976.db2.gz GBAHJJBTJNWRLH-WTGUMLROSA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000556259934 458942985 /nfs/dbraw/zinc/94/29/85/458942985.db2.gz GBAHJJBTJNWRLH-WTGUMLROSA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000556259934 458942994 /nfs/dbraw/zinc/94/29/94/458942994.db2.gz GBAHJJBTJNWRLH-WTGUMLROSA-N 1 3 347.572 3.474 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000594490936 459058672 /nfs/dbraw/zinc/05/86/72/459058672.db2.gz UQANMDFCVAOUGE-LJQANCHMSA-N 1 3 328.456 3.067 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000594490930 459058885 /nfs/dbraw/zinc/05/88/85/459058885.db2.gz UQANMDFCVAOUGE-IBGZPJMESA-N 1 3 328.456 3.067 10 0 EGAEHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502117 459064416 /nfs/dbraw/zinc/06/44/16/459064416.db2.gz FJCHOIYHKHWYOM-KXBFYZLASA-N 1 3 330.472 3.172 10 0 EGAEHO CC[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000567794988 459169463 /nfs/dbraw/zinc/16/94/63/459169463.db2.gz SFTPCROAMWISBD-WTBLGDFPSA-N 1 3 341.543 3.423 10 0 EGAEHO CC[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000567794988 459169465 /nfs/dbraw/zinc/16/94/65/459169465.db2.gz SFTPCROAMWISBD-WTBLGDFPSA-N 1 3 341.543 3.423 10 0 EGAEHO CCN(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567852141 459178741 /nfs/dbraw/zinc/17/87/41/459178741.db2.gz SKGLMZHSYHAFLE-LJQANCHMSA-N 1 3 327.516 3.258 10 0 EGAEHO O[C@@H]1CCCC[C@H]1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000568050776 459214689 /nfs/dbraw/zinc/21/46/89/459214689.db2.gz DZORGOYLJYYXEM-RCCFBDPRSA-N 1 3 334.529 3.243 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000560521476 459364572 /nfs/dbraw/zinc/36/45/72/459364572.db2.gz RZVZJUCKEZOWTN-PLACYPQZSA-N 1 3 327.516 3.286 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C1 ZINC000560531376 459367979 /nfs/dbraw/zinc/36/79/79/459367979.db2.gz XRWYPMRYKCWAFS-RSRIQPTJSA-N 1 3 327.516 3.284 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1nc(-c2ccccc2)no1 ZINC000573858703 459747230 /nfs/dbraw/zinc/74/72/30/459747230.db2.gz SNMKMHZDIDVGHU-SPUZQDLCSA-N 1 3 340.471 3.303 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1nc(-c2ccccc2)no1 ZINC000573858703 459747237 /nfs/dbraw/zinc/74/72/37/459747237.db2.gz SNMKMHZDIDVGHU-SPUZQDLCSA-N 1 3 340.471 3.303 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917844 459773056 /nfs/dbraw/zinc/77/30/56/459773056.db2.gz UWKQNLVFFDPILA-SJORKVTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917844 459773062 /nfs/dbraw/zinc/77/30/62/459773062.db2.gz UWKQNLVFFDPILA-SJORKVTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014594 459796642 /nfs/dbraw/zinc/79/66/42/459796642.db2.gz QIEVRUZKJJRTOU-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014594 459796647 /nfs/dbraw/zinc/79/66/47/459796647.db2.gz QIEVRUZKJJRTOU-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014596 459796740 /nfs/dbraw/zinc/79/67/40/459796740.db2.gz QIEVRUZKJJRTOU-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014596 459796744 /nfs/dbraw/zinc/79/67/44/459796744.db2.gz QIEVRUZKJJRTOU-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CC=CCC3)CC2)CC1 ZINC000529865531 459866477 /nfs/dbraw/zinc/86/64/77/459866477.db2.gz DXYQBMGXANCXBO-GOSISDBHSA-N 1 3 347.547 3.045 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000600122555 460391555 /nfs/dbraw/zinc/39/15/55/460391555.db2.gz BUZNRLCTVWZANG-MRXNPFEDSA-N 1 3 333.476 3.003 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000600122555 460391561 /nfs/dbraw/zinc/39/15/61/460391561.db2.gz BUZNRLCTVWZANG-MRXNPFEDSA-N 1 3 333.476 3.003 10 0 EGAEHO CCN(CC)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355041 460507870 /nfs/dbraw/zinc/50/78/70/460507870.db2.gz VOXFURYLDZCXDM-WOJBJXKFSA-N 1 3 331.548 3.402 10 0 EGAEHO CCN(CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355041 460507877 /nfs/dbraw/zinc/50/78/77/460507877.db2.gz VOXFURYLDZCXDM-WOJBJXKFSA-N 1 3 331.548 3.402 10 0 EGAEHO Cc1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)ccn1 ZINC000623363044 460511639 /nfs/dbraw/zinc/51/16/39/460511639.db2.gz VPYHTTPFTAIRQN-UHFFFAOYSA-N 1 3 338.499 3.082 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623425271 460542235 /nfs/dbraw/zinc/54/22/35/460542235.db2.gz WXNLHLUDIQTALO-HNNXBMFYSA-N 1 3 330.501 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623425271 460542245 /nfs/dbraw/zinc/54/22/45/460542245.db2.gz WXNLHLUDIQTALO-HNNXBMFYSA-N 1 3 330.501 3.210 10 0 EGAEHO C/C=C\COc1ccc(CC[C@@H](C)NCC2([NH3+])CCOCC2)cc1 ZINC000629521415 460793946 /nfs/dbraw/zinc/79/39/46/460793946.db2.gz PFFKKLFGZFUWFU-CWIOURORSA-N 1 3 332.488 3.060 10 0 EGAEHO [NH3+]CCCOCCN[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000629541474 460800476 /nfs/dbraw/zinc/80/04/76/460800476.db2.gz PEQJNGWVVBFKQP-ZDUSSCGKSA-N 1 3 333.259 3.162 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3cccc(C)c3C2)[C@@H](C)C1 ZINC000624072087 460845559 /nfs/dbraw/zinc/84/55/59/460845559.db2.gz UANMWUKOUCBBOR-BJLQDIEVSA-N 1 3 346.515 3.025 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3cccc(C)c3C2)[C@@H](C)C1 ZINC000624072087 460845566 /nfs/dbraw/zinc/84/55/66/460845566.db2.gz UANMWUKOUCBBOR-BJLQDIEVSA-N 1 3 346.515 3.025 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2ccc(Cl)cc2)C1 ZINC000652361200 461154385 /nfs/dbraw/zinc/15/43/85/461154385.db2.gz ZLWUHPNUHPUGSK-NXHRZFHOSA-N 1 3 338.879 3.080 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCOc2cccc(Cl)c2)C1 ZINC000652360329 461155744 /nfs/dbraw/zinc/15/57/44/461155744.db2.gz FLYMBDHZPWSDBY-NXHRZFHOSA-N 1 3 338.879 3.080 10 0 EGAEHO Cc1cccc(C)c1OCCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363786 461157980 /nfs/dbraw/zinc/15/79/80/461157980.db2.gz NLEOOFIYVOJKFB-IPMKNSEASA-N 1 3 332.488 3.043 10 0 EGAEHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299046 461177630 /nfs/dbraw/zinc/17/76/30/461177630.db2.gz ZIMPTFGUOUHPIR-RDJZCZTQSA-N 1 3 347.478 3.173 10 0 EGAEHO c1ccc(N2CC[C@@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106085 461243206 /nfs/dbraw/zinc/24/32/06/461243206.db2.gz YKTZDBXMUZJZFI-PZJWPPBQSA-N 1 3 327.516 3.463 10 0 EGAEHO CC(C)[C@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292442 461279142 /nfs/dbraw/zinc/27/91/42/461279142.db2.gz PLKCYFCXMZKIFN-UXHICEINSA-N 1 3 343.515 3.094 10 0 EGAEHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(NC3CC3)CCC2)CC1 ZINC000662721173 461357180 /nfs/dbraw/zinc/35/71/80/461357180.db2.gz KULUUBGGEVKSLJ-MRXNPFEDSA-N 1 3 341.499 3.003 10 0 EGAEHO C[N@@H+]1C[C@@H](CNCc2cccc(-n3cccn3)c2)[C@H](c2ccccc2)C1 ZINC000647249229 461587758 /nfs/dbraw/zinc/58/77/58/461587758.db2.gz LEFHCBWOBYCWBN-IRLDBZIGSA-N 1 3 346.478 3.307 10 0 EGAEHO C[N@H+]1C[C@@H](CNCc2cccc(-n3cccn3)c2)[C@H](c2ccccc2)C1 ZINC000647249229 461587768 /nfs/dbraw/zinc/58/77/68/461587768.db2.gz LEFHCBWOBYCWBN-IRLDBZIGSA-N 1 3 346.478 3.307 10 0 EGAEHO Cc1cccc2ncc(C[NH2+]C[C@@H]3CN(C)C[C@H]3c3ccccc3)n21 ZINC000647248960 461589017 /nfs/dbraw/zinc/58/90/17/461589017.db2.gz TTXZQMJKAFKTKQ-QUCCMNQESA-N 1 3 334.467 3.078 10 0 EGAEHO CC(C)C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000647295648 461619131 /nfs/dbraw/zinc/61/91/31/461619131.db2.gz QSEDLIPQRMJSJY-LJQANCHMSA-N 1 3 342.487 3.294 10 0 EGAEHO CC(C)[C@H]([NH3+])CCNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000663499767 461672649 /nfs/dbraw/zinc/67/26/49/461672649.db2.gz MGDIZSWBJNTSFN-OAHLLOKOSA-N 1 3 340.393 3.354 10 0 EGAEHO CC(C)[C@H]([NH3+])CCNCc1ccc(Br)c2cccnc12 ZINC000663500379 461674609 /nfs/dbraw/zinc/67/46/09/461674609.db2.gz QUQVWJYTOQIJJL-OAHLLOKOSA-N 1 3 336.277 3.460 10 0 EGAEHO CCCOc1ccc(CNCc2ccccc2C[NH2+]C)cc1OC ZINC000650718264 461909975 /nfs/dbraw/zinc/90/99/75/461909975.db2.gz FGYAMLLLRWYASH-UHFFFAOYSA-N 1 3 328.456 3.493 10 0 EGAEHO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000650750794 461933859 /nfs/dbraw/zinc/93/38/59/461933859.db2.gz LDUKXFOUBBBBSK-QFBILLFUSA-N 1 3 339.483 3.314 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761103 461940028 /nfs/dbraw/zinc/94/00/28/461940028.db2.gz SAZQOTRLMVLKPF-LLVKDONJSA-N 1 3 349.381 3.064 10 0 EGAEHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)CC1CCCC1 ZINC000644545359 461979175 /nfs/dbraw/zinc/97/91/75/461979175.db2.gz LFSCOKKIQLVVMJ-NHCUHLMSSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545359 461979182 /nfs/dbraw/zinc/97/91/82/461979182.db2.gz LFSCOKKIQLVVMJ-NHCUHLMSSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545359 461979190 /nfs/dbraw/zinc/97/91/90/461979190.db2.gz LFSCOKKIQLVVMJ-NHCUHLMSSA-N 1 3 330.516 3.082 10 0 EGAEHO CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336710 462057164 /nfs/dbraw/zinc/05/71/64/462057164.db2.gz YMIRTZMJFYJOSD-RTBURBONSA-N 1 3 332.488 3.064 10 0 EGAEHO Cc1ccc2cc(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)[nH]c2c1 ZINC000657597440 462199796 /nfs/dbraw/zinc/19/97/96/462199796.db2.gz OKXYXKULDDKGJK-NRFANRHFSA-N 1 3 349.478 3.333 10 0 EGAEHO Cc1ccc2cc(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)[nH]c2c1 ZINC000657597440 462199803 /nfs/dbraw/zinc/19/98/03/462199803.db2.gz OKXYXKULDDKGJK-NRFANRHFSA-N 1 3 349.478 3.333 10 0 EGAEHO COCCc1ccc(OC[C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000667883331 462307574 /nfs/dbraw/zinc/30/75/74/462307574.db2.gz QEURJODIBPLVPZ-OHSMVPPVSA-N 1 3 346.515 3.248 10 0 EGAEHO COCCc1ccc(OC[C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000667883331 462307577 /nfs/dbraw/zinc/30/75/77/462307577.db2.gz QEURJODIBPLVPZ-OHSMVPPVSA-N 1 3 346.515 3.248 10 0 EGAEHO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139933 462403791 /nfs/dbraw/zinc/40/37/91/462403791.db2.gz OPIIORWRJHSXOM-HNAYVOBHSA-N 1 3 330.497 3.036 10 0 EGAEHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCCCC1 ZINC000658142526 462405537 /nfs/dbraw/zinc/40/55/37/462405537.db2.gz ZSFVXIHUIGEIPL-PXNSSMCTSA-N 1 3 346.515 3.081 10 0 EGAEHO COC1(C[C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000658168422 462415872 /nfs/dbraw/zinc/41/58/72/462415872.db2.gz WZHVIEFGNAZZRJ-QGZVFWFLSA-N 1 3 331.504 3.231 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000339067060 547568695 /nfs/dbraw/zinc/56/86/95/547568695.db2.gz DXWSEZKRTLFARP-VXNCWWDNSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000339067060 547568698 /nfs/dbraw/zinc/56/86/98/547568698.db2.gz DXWSEZKRTLFARP-VXNCWWDNSA-N 1 3 333.545 3.347 10 0 EGAEHO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@@H]3CCC[C@H]31)CCO2 ZINC000671761232 548354996 /nfs/dbraw/zinc/35/49/96/548354996.db2.gz XIKGRDSYHMVDMY-JCHJZTRSSA-N 1 3 330.472 3.371 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCOC(C)(C)C2)CC1 ZINC000678271990 549453201 /nfs/dbraw/zinc/45/32/01/549453201.db2.gz XAPCOZGFWOLWAX-UHFFFAOYSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCCOC(C)(C)C2)CC1 ZINC000678271990 549453204 /nfs/dbraw/zinc/45/32/04/549453204.db2.gz XAPCOZGFWOLWAX-UHFFFAOYSA-N 1 3 345.531 3.220 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000679022337 549616967 /nfs/dbraw/zinc/61/69/67/549616967.db2.gz DATYIKYOXODCCE-SLFFLAALSA-N 1 3 348.494 3.217 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@H]2CC[N@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000679022337 549616971 /nfs/dbraw/zinc/61/69/71/549616971.db2.gz DATYIKYOXODCCE-SLFFLAALSA-N 1 3 348.494 3.217 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCSC2)CC1 ZINC000684111496 550292647 /nfs/dbraw/zinc/29/26/47/550292647.db2.gz XSDJKAIGKLSTHZ-QGZVFWFLSA-N 1 3 333.545 3.061 10 0 EGAEHO C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684410901 550326619 /nfs/dbraw/zinc/32/66/19/550326619.db2.gz COIKAJMACYNKNT-CJNGLKHVSA-N 1 3 330.394 3.400 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000871153282 1296243756 /nfs/dbraw/zinc/24/37/56/1296243756.db2.gz JVHOPUZLPQBKFN-UHFFFAOYSA-N 1 3 345.531 3.475 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000871153282 1296243768 /nfs/dbraw/zinc/24/37/68/1296243768.db2.gz JVHOPUZLPQBKFN-UHFFFAOYSA-N 1 3 345.531 3.475 10 0 EGAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284258 1298280316 /nfs/dbraw/zinc/28/03/16/1298280316.db2.gz WXYGHKFQJMXAFE-IXDOHACOSA-N 1 3 339.524 3.238 10 0 EGAEHO OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886593918 1303516192 /nfs/dbraw/zinc/51/61/92/1303516192.db2.gz BQJLTJKZBDRGCP-WHZJULEDSA-N 1 3 328.500 3.180 10 0 EGAEHO COCCC[NH+]1CCC(NCc2cc3c(cccc3O)s2)CC1 ZINC000894214550 1306282364 /nfs/dbraw/zinc/28/23/64/1306282364.db2.gz JAECNTRBTDGAFP-UHFFFAOYSA-N 1 3 334.485 3.197 10 0 EGAEHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000929637626 1328653537 /nfs/dbraw/zinc/65/35/37/1328653537.db2.gz LQYJOOSUKRPYIK-UKPHBRMFSA-N 1 3 342.405 3.052 10 0 EGAEHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000929637626 1328653540 /nfs/dbraw/zinc/65/35/40/1328653540.db2.gz LQYJOOSUKRPYIK-UKPHBRMFSA-N 1 3 342.405 3.052 10 0 EGAEHO CN(C)Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1C(F)(F)F ZINC000899671860 1317129303 /nfs/dbraw/zinc/12/93/03/1317129303.db2.gz GFYBYDUYCKEZDJ-UHFFFAOYSA-N 1 3 343.393 3.047 10 0 EGAEHO CN(CCC1(C(=O)OC(C)(C)C)CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461447 1328862770 /nfs/dbraw/zinc/86/27/70/1328862770.db2.gz XEFZOEVTPNPBGA-SJPCQFCGSA-N 1 3 336.520 3.446 10 0 EGAEHO CN(CCC1(C(=O)OC(C)(C)C)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930461447 1328862775 /nfs/dbraw/zinc/86/27/75/1328862775.db2.gz XEFZOEVTPNPBGA-SJPCQFCGSA-N 1 3 336.520 3.446 10 0 EGAEHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921535711 1322343888 /nfs/dbraw/zinc/34/38/88/1322343888.db2.gz LDYRGJPASFIOJO-MRXNPFEDSA-N 1 3 325.456 3.309 10 0 EGAEHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921535711 1322343895 /nfs/dbraw/zinc/34/38/95/1322343895.db2.gz LDYRGJPASFIOJO-MRXNPFEDSA-N 1 3 325.456 3.309 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)n2)[C@@H](C)C1 ZINC000925076885 1323269167 /nfs/dbraw/zinc/26/91/67/1323269167.db2.gz AGRBVKQRDLAJFX-BZSNNMDCSA-N 1 3 349.519 3.268 10 0 EGAEHO COc1ccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c(OC)c1 ZINC000925513757 1325185784 /nfs/dbraw/zinc/18/57/84/1325185784.db2.gz AUKIGKMJQMZGRZ-RBUKOAKNSA-N 1 3 332.488 3.004 10 0 EGAEHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512936 1325185924 /nfs/dbraw/zinc/18/59/24/1325185924.db2.gz CXXWNHIEFJJFPX-KCPJHIHWSA-N 1 3 339.277 3.076 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000925601699 1325228899 /nfs/dbraw/zinc/22/88/99/1325228899.db2.gz NCVRZTBQNAFZSF-GJZGRUSLSA-N 1 3 348.878 3.428 10 0 EGAEHO CCN(CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCC(F)(F)F ZINC000925649707 1325247326 /nfs/dbraw/zinc/24/73/26/1325247326.db2.gz IBYJKLPJZAPTDT-CVEARBPZSA-N 1 3 335.458 3.019 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925677048 1325259152 /nfs/dbraw/zinc/25/91/52/1325259152.db2.gz MZVOXQJQGVPOHD-HOTGVXAUSA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1cccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)n1 ZINC000925677048 1325259159 /nfs/dbraw/zinc/25/91/59/1325259159.db2.gz MZVOXQJQGVPOHD-HOTGVXAUSA-N 1 3 341.421 3.401 10 0 EGAEHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)CCS2 ZINC000925776275 1325294784 /nfs/dbraw/zinc/29/47/84/1325294784.db2.gz KRBGNMXBCWJXAW-FZMZJTMJSA-N 1 3 328.428 3.067 10 0 EGAEHO CC[NH+](CC)CCOCCN[C@H]1CCCc2c(Cl)ccnc21 ZINC000926150292 1325449157 /nfs/dbraw/zinc/44/91/57/1325449157.db2.gz JRNAXJRIVCMQSR-INIZCTEOSA-N 1 3 325.884 3.060 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cccc2c1OCO2 ZINC000926636175 1327646718 /nfs/dbraw/zinc/64/67/18/1327646718.db2.gz SRVPQJOLIFIBII-WDYCEAGBSA-N 1 3 338.451 3.411 10 0 EGAEHO CCN1CC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000926857597 1327742423 /nfs/dbraw/zinc/74/24/23/1327742423.db2.gz FKNCEOZUVKCBQK-VTHDOGFWSA-N 1 3 327.516 3.256 10 0 EGAEHO CN(C)Cc1cc(C[NH2+]Cc2cnc(Cl)c(F)c2)ccc1F ZINC000865465252 1329700968 /nfs/dbraw/zinc/70/09/68/1329700968.db2.gz XBCINZHTYPBEDC-UHFFFAOYSA-N 1 3 325.790 3.365 10 0 EGAEHO COc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc(Cl)c1OC ZINC001331496475 1389771368 /nfs/dbraw/zinc/77/13/68/1389771368.db2.gz AWOICPILFGJZLJ-ZDUSSCGKSA-N 1 3 326.868 3.320 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c1 ZINC001323441680 1387370482 /nfs/dbraw/zinc/37/04/82/1387370482.db2.gz JBPRICJACMLWNZ-IEBWSBKVSA-N 1 3 343.515 3.167 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001324100402 1387542521 /nfs/dbraw/zinc/54/25/21/1387542521.db2.gz XGQQSPAPPLIMAE-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1)CC(C)(C)C ZINC001324224533 1387561827 /nfs/dbraw/zinc/56/18/27/1387561827.db2.gz CETBIKBKEXVKDV-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647784 1387717687 /nfs/dbraw/zinc/71/76/87/1387717687.db2.gz QNVGYARTQQKWNV-UYAOXDASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647784 1387717689 /nfs/dbraw/zinc/71/76/89/1387717689.db2.gz QNVGYARTQQKWNV-UYAOXDASSA-N 1 3 349.563 3.268 10 0 EGAEHO c1c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001202227842 1369718228 /nfs/dbraw/zinc/71/82/28/1369718228.db2.gz PDCLIUYAAWDOOT-GOSISDBHSA-N 1 3 347.466 3.083 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001326512637 1388225352 /nfs/dbraw/zinc/22/53/52/1388225352.db2.gz JLNRJELRKGLSSW-VJANTYMQSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)N1CCCCCC1 ZINC001326900386 1388343697 /nfs/dbraw/zinc/34/36/97/1388343697.db2.gz SBGKSOKVFDMTCM-GOSISDBHSA-N 1 3 347.547 3.380 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1)N(C)C ZINC001327148919 1388406031 /nfs/dbraw/zinc/40/60/31/1388406031.db2.gz WIYZPIZEDDGAAK-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1)N(C)C ZINC001327148919 1388406032 /nfs/dbraw/zinc/40/60/32/1388406032.db2.gz WIYZPIZEDDGAAK-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001266119441 1377194768 /nfs/dbraw/zinc/19/47/68/1377194768.db2.gz FNAYNKINYZOIIF-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001266119441 1377194774 /nfs/dbraw/zinc/19/47/74/1377194774.db2.gz FNAYNKINYZOIIF-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001266234681 1377241035 /nfs/dbraw/zinc/24/10/35/1377241035.db2.gz IZDPSULEPNMSGW-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001266234681 1377241039 /nfs/dbraw/zinc/24/10/39/1377241039.db2.gz IZDPSULEPNMSGW-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001268194792 1377491149 /nfs/dbraw/zinc/49/11/49/1377491149.db2.gz XNZUUOJLWWEDIG-DLBZAZTESA-N 1 3 343.531 3.073 10 0 EGAEHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001268194792 1377491151 /nfs/dbraw/zinc/49/11/51/1377491151.db2.gz XNZUUOJLWWEDIG-DLBZAZTESA-N 1 3 343.531 3.073 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001268589946 1377513503 /nfs/dbraw/zinc/51/35/03/1377513503.db2.gz AIHPRZSZIDHURA-LKGOPFMKSA-N 1 3 345.531 3.296 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001269681593 1377563755 /nfs/dbraw/zinc/56/37/55/1377563755.db2.gz PEBNSDIUTGSFOU-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001269681593 1377563758 /nfs/dbraw/zinc/56/37/58/1377563758.db2.gz PEBNSDIUTGSFOU-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001269787314 1377571728 /nfs/dbraw/zinc/57/17/28/1377571728.db2.gz ZJEFZTDKVGHQIL-IBGZPJMESA-N 1 3 337.552 3.127 10 0 EGAEHO Cc1cc(CNC/C=C/CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413815 1378124244 /nfs/dbraw/zinc/12/42/44/1378124244.db2.gz ORXGEMUXQBUGAZ-RTRPANQVSA-N 1 3 349.544 3.083 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001275768224 1378156243 /nfs/dbraw/zinc/15/62/43/1378156243.db2.gz NTLWBZQFSFPFEQ-ZBKUBXTQSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC(C)CC1 ZINC001281968816 1378465764 /nfs/dbraw/zinc/46/57/64/1378465764.db2.gz PFEXEIQGZDHUEW-ACBHZAAOSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC(C)CC1 ZINC001281968816 1378465767 /nfs/dbraw/zinc/46/57/67/1378465767.db2.gz PFEXEIQGZDHUEW-ACBHZAAOSA-N 1 3 337.552 3.076 10 0 EGAEHO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001282129993 1378478723 /nfs/dbraw/zinc/47/87/23/1378478723.db2.gz VRLZACZURQMEOL-QZTJIDSGSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282666956 1378539288 /nfs/dbraw/zinc/53/92/88/1378539288.db2.gz VBAPZUILVPYWJB-SFHVURJKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282666956 1378539294 /nfs/dbraw/zinc/53/92/94/1378539294.db2.gz VBAPZUILVPYWJB-SFHVURJKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001327694758 1388584510 /nfs/dbraw/zinc/58/45/10/1388584510.db2.gz CALYZWCYGAMPJR-IAGOWNOFSA-N 1 3 343.515 3.006 10 0 EGAEHO CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001327694758 1388584512 /nfs/dbraw/zinc/58/45/12/1388584512.db2.gz CALYZWCYGAMPJR-IAGOWNOFSA-N 1 3 343.515 3.006 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)CC1CCC(C)CC1)C(C)C)N(C)C ZINC001284553590 1379961453 /nfs/dbraw/zinc/96/14/53/1379961453.db2.gz PXTCJRLETLLNGC-ACBHZAAOSA-N 1 3 339.568 3.322 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)CC1CCC(C)CC1)C(C)C)N(C)C ZINC001284553590 1379961456 /nfs/dbraw/zinc/96/14/56/1379961456.db2.gz PXTCJRLETLLNGC-ACBHZAAOSA-N 1 3 339.568 3.322 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284558484 1379967491 /nfs/dbraw/zinc/96/74/91/1379967491.db2.gz MPDQEAOOSQAQTD-FUHWJXTLSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284558484 1379967496 /nfs/dbraw/zinc/96/74/96/1379967496.db2.gz MPDQEAOOSQAQTD-FUHWJXTLSA-N 1 3 349.494 3.007 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597599 1379998812 /nfs/dbraw/zinc/99/88/12/1379998812.db2.gz IVQQYDUVDKOFPH-MOPGFXCFSA-N 1 3 349.563 3.482 10 0 EGAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CCC1 ZINC001284600063 1380001150 /nfs/dbraw/zinc/00/11/50/1380001150.db2.gz YPQUOXBRGJVOLG-QGZVFWFLSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C)N1CCCC1 ZINC001284652601 1380067080 /nfs/dbraw/zinc/06/70/80/1380067080.db2.gz KRQJBAMLUZKITD-ROUUACIJSA-N 1 3 337.552 3.027 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084592 1388666885 /nfs/dbraw/zinc/66/68/85/1388666885.db2.gz YZTKTUSRXNWYPE-LKGOPFMKSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084592 1388666886 /nfs/dbraw/zinc/66/68/86/1388666886.db2.gz YZTKTUSRXNWYPE-LKGOPFMKSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001297931141 1383295778 /nfs/dbraw/zinc/29/57/78/1383295778.db2.gz WUSKUCSUDLUXJC-QGZVFWFLSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001297931141 1383295781 /nfs/dbraw/zinc/29/57/81/1383295781.db2.gz WUSKUCSUDLUXJC-QGZVFWFLSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@H](CC[NH+](C)C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001302852464 1383771057 /nfs/dbraw/zinc/77/10/57/1383771057.db2.gz NIWRKOCMTDKWIQ-UYAOXDASSA-N 1 3 345.531 3.087 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001316772160 1384570847 /nfs/dbraw/zinc/57/08/47/1384570847.db2.gz IHAJMVIKUKQDEK-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001316830990 1384623637 /nfs/dbraw/zinc/62/36/37/1384623637.db2.gz VQPBHGSAHYNLLF-SFHVURJKSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001316830990 1384623640 /nfs/dbraw/zinc/62/36/40/1384623640.db2.gz VQPBHGSAHYNLLF-SFHVURJKSA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001316874758 1384659694 /nfs/dbraw/zinc/65/96/94/1384659694.db2.gz CWAYKRQYBWFHCN-RDJZCZTQSA-N 1 3 334.508 3.138 10 0 EGAEHO CN(CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1)C1CCC1 ZINC001316934408 1384705317 /nfs/dbraw/zinc/70/53/17/1384705317.db2.gz OZHPTIJSXJRANN-UHFFFAOYSA-N 1 3 347.547 3.284 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030572 1384797770 /nfs/dbraw/zinc/79/77/70/1384797770.db2.gz UZNUNIBGPQHNLF-XLIONFOSSA-N 1 3 349.563 3.173 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1)[NH+](CC)CC ZINC001317040756 1384813356 /nfs/dbraw/zinc/81/33/56/1384813356.db2.gz GACFFQHRESUXMT-AITIYTRBSA-N 1 3 343.943 3.030 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001317041294 1384814609 /nfs/dbraw/zinc/81/46/09/1384814609.db2.gz AZGJFYWVEGFNJJ-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001317041294 1384814612 /nfs/dbraw/zinc/81/46/12/1384814612.db2.gz AZGJFYWVEGFNJJ-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCCC3CCC3)C2)C1 ZINC001317042946 1384816882 /nfs/dbraw/zinc/81/68/82/1384816882.db2.gz LNVUGHCUYCRVDM-ICSRJNTNSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCCC3CCC3)C2)C1 ZINC001317042946 1384816886 /nfs/dbraw/zinc/81/68/86/1384816886.db2.gz LNVUGHCUYCRVDM-ICSRJNTNSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001317190202 1384963816 /nfs/dbraw/zinc/96/38/16/1384963816.db2.gz NNCGUDLXTXIDJN-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC1=CCCCC1 ZINC001317243887 1385017051 /nfs/dbraw/zinc/01/70/51/1385017051.db2.gz YRXKZQWJKKDSGF-QGZVFWFLSA-N 1 3 335.536 3.236 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001317415908 1385125975 /nfs/dbraw/zinc/12/59/75/1385125975.db2.gz PGZCNSQURXLBHQ-ROUUACIJSA-N 1 3 333.520 3.189 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001317430956 1385135601 /nfs/dbraw/zinc/13/56/01/1385135601.db2.gz CSHGOUMTTWBQBG-OALUTQOASA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1 ZINC001317430956 1385135603 /nfs/dbraw/zinc/13/56/03/1385135603.db2.gz CSHGOUMTTWBQBG-OALUTQOASA-N 1 3 335.536 3.020 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317861867 1385546117 /nfs/dbraw/zinc/54/61/17/1385546117.db2.gz FFDIDENLEJXPBG-PXIXMTEYSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317861867 1385546121 /nfs/dbraw/zinc/54/61/21/1385546121.db2.gz FFDIDENLEJXPBG-PXIXMTEYSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCCN1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317974978 1385594918 /nfs/dbraw/zinc/59/49/18/1385594918.db2.gz FXXPPXJTWPWCBZ-KRWDZBQOSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCCN1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317974978 1385594922 /nfs/dbraw/zinc/59/49/22/1385594922.db2.gz FXXPPXJTWPWCBZ-KRWDZBQOSA-N 1 3 337.552 3.410 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524805 1385734744 /nfs/dbraw/zinc/73/47/44/1385734744.db2.gz PSYQFUJHRYRWCL-PMACEKPBSA-N 1 3 345.531 3.161 10 0 EGAEHO CCc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001318983188 1385908728 /nfs/dbraw/zinc/90/87/28/1385908728.db2.gz FPWANQQMCCDLJI-MXVIHJGJSA-N 1 3 345.531 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001319285039 1386042628 /nfs/dbraw/zinc/04/26/28/1386042628.db2.gz JDXRSGRDNDZIIC-LSDHHAIUSA-N 1 3 339.911 3.083 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)cc1 ZINC001319472817 1386137173 /nfs/dbraw/zinc/13/71/73/1386137173.db2.gz LHRVEWZPVAELSX-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F)N(C)C ZINC001319788448 1386296234 /nfs/dbraw/zinc/29/62/34/1386296234.db2.gz NSFDWRKDHQZLAS-MJGOQNOKSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC(C)CC1 ZINC001319919499 1386392073 /nfs/dbraw/zinc/39/20/73/1386392073.db2.gz VSSUACDAGWVLLX-ABHNRTSZSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C)N(C)C ZINC001319955028 1386414964 /nfs/dbraw/zinc/41/49/64/1386414964.db2.gz BTWVIEQDZPUXEF-ZWKOTPCHSA-N 1 3 339.568 3.273 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001320104292 1386515900 /nfs/dbraw/zinc/51/59/00/1386515900.db2.gz QHHKPXAIUDXZAM-WYTZPYIFSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@H]21 ZINC001320104292 1386515902 /nfs/dbraw/zinc/51/59/02/1386515902.db2.gz QHHKPXAIUDXZAM-WYTZPYIFSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001320104291 1386516235 /nfs/dbraw/zinc/51/62/35/1386516235.db2.gz QHHKPXAIUDXZAM-OANMOWAGSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001320104291 1386516238 /nfs/dbraw/zinc/51/62/38/1386516238.db2.gz QHHKPXAIUDXZAM-OANMOWAGSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416815 1386604340 /nfs/dbraw/zinc/60/43/40/1386604340.db2.gz WMBYHFILKQKTQP-IAGOWNOFSA-N 1 3 325.541 3.170 10 0 EGAEHO CCN(CCNCc1ccsc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320864297 1386742406 /nfs/dbraw/zinc/74/24/06/1386742406.db2.gz NJLRDBBNPSGGCE-UHFFFAOYSA-N 1 3 345.512 3.062 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001321419323 1386900518 /nfs/dbraw/zinc/90/05/18/1386900518.db2.gz OUSFCJPANYAUQZ-DDRDIHNTSA-N 1 3 343.515 3.192 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001322281522 1387137689 /nfs/dbraw/zinc/13/76/89/1387137689.db2.gz PWAFHVDNHVBRAC-HKUYNNGSSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001322281522 1387137692 /nfs/dbraw/zinc/13/76/92/1387137692.db2.gz PWAFHVDNHVBRAC-HKUYNNGSSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001698704472 1406346226 /nfs/dbraw/zinc/34/62/26/1406346226.db2.gz PBYSEBIMNMDLRL-SFHVURJKSA-N 1 3 345.531 3.306 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCCC1)N(C)C ZINC001329861342 1389238767 /nfs/dbraw/zinc/23/87/67/1389238767.db2.gz RAZODTNJQYGKDF-IBGZPJMESA-N 1 3 345.531 3.244 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001331491823 1389770154 /nfs/dbraw/zinc/77/01/54/1389770154.db2.gz WWORHSVSZJHFQB-VQIMIIECSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)N(C)C ZINC001332809406 1390192111 /nfs/dbraw/zinc/19/21/11/1390192111.db2.gz YAINEQYFNHWVQW-IRXDYDNUSA-N 1 3 339.568 3.129 10 0 EGAEHO CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001332960986 1390225670 /nfs/dbraw/zinc/22/56/70/1390225670.db2.gz QRRXWSFGVAABFW-IEBWSBKVSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)CC[NH+]1CCC([C@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001332996384 1390233094 /nfs/dbraw/zinc/23/30/94/1390233094.db2.gz AGCFGNMDEXBKGL-KRWDZBQOSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001333344077 1390286408 /nfs/dbraw/zinc/28/64/08/1390286408.db2.gz WFDIOILEUKYNGK-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001333344077 1390286410 /nfs/dbraw/zinc/28/64/10/1390286410.db2.gz WFDIOILEUKYNGK-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698834621 1406529616 /nfs/dbraw/zinc/52/96/16/1406529616.db2.gz FHZKKGQCRVOFJR-HOTGVXAUSA-N 1 3 349.494 3.198 10 0 EGAEHO CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001479249161 1392199553 /nfs/dbraw/zinc/19/95/53/1392199553.db2.gz FCJQPHPFCITLQO-IEBWSBKVSA-N 1 3 337.552 3.220 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001479478890 1392252791 /nfs/dbraw/zinc/25/27/91/1392252791.db2.gz FOAUYFHOUNPWHL-XMLJFVSMSA-N 1 3 349.563 3.482 10 0 EGAEHO CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001479685051 1392317888 /nfs/dbraw/zinc/31/78/88/1392317888.db2.gz AXAJUHSUMNMPCW-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479734165 1392345608 /nfs/dbraw/zinc/34/56/08/1392345608.db2.gz AJYGCWMVOSZJCG-VOFKWLDRSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479734165 1392345612 /nfs/dbraw/zinc/34/56/12/1392345612.db2.gz AJYGCWMVOSZJCG-VOFKWLDRSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1 ZINC001479748674 1392366666 /nfs/dbraw/zinc/36/66/66/1392366666.db2.gz ZXJBIORCPINCOK-LJQANCHMSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC(C)(C)C1 ZINC001479748674 1392366669 /nfs/dbraw/zinc/36/66/69/1392366669.db2.gz ZXJBIORCPINCOK-LJQANCHMSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1)N1CCCC1 ZINC001698880358 1406608768 /nfs/dbraw/zinc/60/87/68/1406608768.db2.gz DZXNUOPZZBVQBZ-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001481279127 1393157234 /nfs/dbraw/zinc/15/72/34/1393157234.db2.gz FPLJXHYBXHKKBP-GOSISDBHSA-N 1 3 347.547 3.390 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001490785251 1394345206 /nfs/dbraw/zinc/34/52/06/1394345206.db2.gz YNHWJIUGIDYTHS-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001490785251 1394345209 /nfs/dbraw/zinc/34/52/09/1394345209.db2.gz YNHWJIUGIDYTHS-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001491125902 1394442295 /nfs/dbraw/zinc/44/22/95/1394442295.db2.gz QUBFKKVMTXKUQE-IBGZPJMESA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001491125902 1394442296 /nfs/dbraw/zinc/44/22/96/1394442296.db2.gz QUBFKKVMTXKUQE-IBGZPJMESA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740937 1394486980 /nfs/dbraw/zinc/48/69/80/1394486980.db2.gz GMVKTAWYCPJUBQ-UXHICEINSA-N 1 3 345.531 3.148 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001491270494 1394498935 /nfs/dbraw/zinc/49/89/35/1394498935.db2.gz CVTKAENBSMLLSJ-PMACEKPBSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856156 1394561354 /nfs/dbraw/zinc/56/13/54/1394561354.db2.gz PHKJPTSLWGVKOI-PKOBYXMFSA-N 1 3 335.536 3.236 10 0 EGAEHO CCC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001482002759 1394662429 /nfs/dbraw/zinc/66/24/29/1394662429.db2.gz BREDIHDLUGZZGY-SFFCAUCYSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001482033607 1394693385 /nfs/dbraw/zinc/69/33/85/1394693385.db2.gz XDAFLBOQXKFEGN-UHFFFAOYSA-N 1 3 331.504 3.067 10 0 EGAEHO CC[C@@H]([NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1)c1ccccc1 ZINC001482238562 1394834946 /nfs/dbraw/zinc/83/49/46/1394834946.db2.gz SVFOXZITAYJKPH-LJQANCHMSA-N 1 3 345.531 3.497 10 0 EGAEHO C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170189 1395309587 /nfs/dbraw/zinc/30/95/87/1395309587.db2.gz LINNHLWRRHWEAR-RXVVDRJESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170189 1395309595 /nfs/dbraw/zinc/30/95/95/1395309595.db2.gz LINNHLWRRHWEAR-RXVVDRJESA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001484522994 1395415255 /nfs/dbraw/zinc/41/52/55/1395415255.db2.gz OCVXVXHEQKYXGW-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001484559294 1395442554 /nfs/dbraw/zinc/44/25/54/1395442554.db2.gz PGUKDLOLYMFFNZ-INIZCTEOSA-N 1 3 331.504 3.238 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCC(C)C)C2)C1)N(C)C ZINC001484833179 1395569810 /nfs/dbraw/zinc/56/98/10/1395569810.db2.gz YHXNFVPCANQBMM-ICSRJNTNSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(C)C)C2)C1)N(C)C ZINC001484833179 1395569815 /nfs/dbraw/zinc/56/98/15/1395569815.db2.gz YHXNFVPCANQBMM-ICSRJNTNSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218218 1395714029 /nfs/dbraw/zinc/71/40/29/1395714029.db2.gz VVSWNIUICBWTPZ-DLBZAZTESA-N 1 3 347.547 3.309 10 0 EGAEHO CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001485260548 1395746493 /nfs/dbraw/zinc/74/64/93/1395746493.db2.gz RWFMSVCXARZRRK-SJORKVTESA-N 1 3 343.531 3.072 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001501392144 1396193713 /nfs/dbraw/zinc/19/37/13/1396193713.db2.gz WFVSEZVDYNQXGN-PTWHKANQSA-N 1 3 347.547 3.282 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001501392144 1396193715 /nfs/dbraw/zinc/19/37/15/1396193715.db2.gz WFVSEZVDYNQXGN-PTWHKANQSA-N 1 3 347.547 3.282 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001492092606 1396303901 /nfs/dbraw/zinc/30/39/01/1396303901.db2.gz XDWLCHVDEVCXKK-PKOBYXMFSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)N(C)C ZINC001493134875 1396337338 /nfs/dbraw/zinc/33/73/38/1396337338.db2.gz GDJNLAPMFLLBRP-RTBURBONSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1)N(C)C ZINC001493134875 1396337339 /nfs/dbraw/zinc/33/73/39/1396337339.db2.gz GDJNLAPMFLLBRP-RTBURBONSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001495817289 1396564209 /nfs/dbraw/zinc/56/42/09/1396564209.db2.gz YBTNLTWYKALCFH-CABCVRRESA-N 1 3 339.911 3.083 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C)cc1 ZINC001496418916 1396701563 /nfs/dbraw/zinc/70/15/63/1396701563.db2.gz LMXILMCNRQDDQP-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1C(C)C ZINC001689149534 1396949284 /nfs/dbraw/zinc/94/92/84/1396949284.db2.gz BUDVSULQZJZMFY-YRPNKDGESA-N 1 3 349.563 3.076 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1C(C)C ZINC001689149534 1396949288 /nfs/dbraw/zinc/94/92/88/1396949288.db2.gz BUDVSULQZJZMFY-YRPNKDGESA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001699029068 1406866867 /nfs/dbraw/zinc/86/68/67/1406866867.db2.gz OETUEKUSPOPDLS-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689821028 1404160032 /nfs/dbraw/zinc/16/00/32/1404160032.db2.gz LQVPHJKHSBLNTH-INIZCTEOSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001690131129 1404326417 /nfs/dbraw/zinc/32/64/17/1404326417.db2.gz NVSYEAHMZCLIGO-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690199334 1404410481 /nfs/dbraw/zinc/41/04/81/1404410481.db2.gz PBTCWEJBJUCPSH-ZBWOGFRMSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690199334 1404410484 /nfs/dbraw/zinc/41/04/84/1404410484.db2.gz PBTCWEJBJUCPSH-ZBWOGFRMSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)ccc2ccccc21)N(C)C ZINC001690638015 1404669922 /nfs/dbraw/zinc/66/99/22/1404669922.db2.gz AWYYOFNJVSIZBB-OXQOHEQNSA-N 1 3 341.499 3.083 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062628 1404987323 /nfs/dbraw/zinc/98/73/23/1404987323.db2.gz UNJDIHHMHXOXBE-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062628 1404987328 /nfs/dbraw/zinc/98/73/28/1404987328.db2.gz UNJDIHHMHXOXBE-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001691304580 1405198520 /nfs/dbraw/zinc/19/85/20/1405198520.db2.gz CKXODJZNESOQEM-VQIMIIECSA-N 1 3 346.519 3.139 10 0 EGAEHO CN(CC(=O)N(C)CC[NH2+]Cc1ccccc1C1CC1)CC(C)(C)C ZINC001691476692 1405293717 /nfs/dbraw/zinc/29/37/17/1405293717.db2.gz OYOUQZKXBCBYRH-UHFFFAOYSA-N 1 3 345.531 3.090 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001691683234 1405418867 /nfs/dbraw/zinc/41/88/67/1405418867.db2.gz RIJDZIFFSKKASN-MSOLQXFVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CC(C[N@@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)CC(C)(C)C2)C1 ZINC001692275507 1405907626 /nfs/dbraw/zinc/90/76/26/1405907626.db2.gz IYLDQOBRIWLGQY-DAWZGUTISA-N 1 3 349.563 3.124 10 0 EGAEHO CC1CC(C[N@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)CC(C)(C)C2)C1 ZINC001692275507 1405907631 /nfs/dbraw/zinc/90/76/31/1405907631.db2.gz IYLDQOBRIWLGQY-DAWZGUTISA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)=CCN1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001732167711 1428411052 /nfs/dbraw/zinc/41/10/52/1428411052.db2.gz ZGQGAMZHNGYXPV-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)=CCN1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001732167711 1428411056 /nfs/dbraw/zinc/41/10/56/1428411056.db2.gz ZGQGAMZHNGYXPV-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187885 1428439101 /nfs/dbraw/zinc/43/91/01/1428439101.db2.gz VSUXLWCFBMAPDB-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001732187885 1428439103 /nfs/dbraw/zinc/43/91/03/1428439103.db2.gz VSUXLWCFBMAPDB-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001732313473 1428525483 /nfs/dbraw/zinc/52/54/83/1428525483.db2.gz UDIXGKLKGKRLEC-MISYRCLQSA-N 1 3 345.531 3.413 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001732470285 1428598791 /nfs/dbraw/zinc/59/87/91/1428598791.db2.gz RLPOSCQSXNZRBI-OALUTQOASA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)N1CCCCCC1 ZINC001732478378 1428604192 /nfs/dbraw/zinc/60/41/92/1428604192.db2.gz UHLWIBGUIZIBNK-XLIONFOSSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001732497621 1428619274 /nfs/dbraw/zinc/61/92/74/1428619274.db2.gz CGQWTEBNZLAJBP-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)N1CCCCC1 ZINC001699099460 1412509531 /nfs/dbraw/zinc/50/95/31/1412509531.db2.gz KLYROQVLFQFURD-INIZCTEOSA-N 1 3 325.541 3.172 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001699531009 1412908561 /nfs/dbraw/zinc/90/85/61/1412908561.db2.gz SQBTTZSWTJKAMM-IEBWSBKVSA-N 1 3 333.520 3.080 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001699579846 1412935909 /nfs/dbraw/zinc/93/59/09/1412935909.db2.gz STXVXINPRSIECO-MOPGFXCFSA-N 1 3 349.563 3.027 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1)N1CCCCC1 ZINC001699622318 1412986557 /nfs/dbraw/zinc/98/65/57/1412986557.db2.gz QMFPVYYONUBXAN-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1)N1CCCCC1 ZINC001699622318 1412986563 /nfs/dbraw/zinc/98/65/63/1412986563.db2.gz QMFPVYYONUBXAN-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001699689256 1413092442 /nfs/dbraw/zinc/09/24/42/1413092442.db2.gz NGXFSIXAXOMHKL-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001699689256 1413092446 /nfs/dbraw/zinc/09/24/46/1413092446.db2.gz NGXFSIXAXOMHKL-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CN(CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1)CC(C)(C)C ZINC001699773427 1413181556 /nfs/dbraw/zinc/18/15/56/1413181556.db2.gz RZXSERLYQDSNAB-UHFFFAOYSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H](c1ccccc1Cl)N1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824704 1413249540 /nfs/dbraw/zinc/24/95/40/1413249540.db2.gz RIVLQPOECJRGKG-BEFAXECRSA-N 1 3 349.906 3.077 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018397 1413464891 /nfs/dbraw/zinc/46/48/91/1413464891.db2.gz YLKRNDVGBNOXLQ-DLBZAZTESA-N 1 3 346.519 3.189 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018397 1413464893 /nfs/dbraw/zinc/46/48/93/1413464893.db2.gz YLKRNDVGBNOXLQ-DLBZAZTESA-N 1 3 346.519 3.189 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094338 1413508686 /nfs/dbraw/zinc/50/86/86/1413508686.db2.gz SMMLEHJIODKHQJ-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1)N(C)C ZINC001700101711 1413519707 /nfs/dbraw/zinc/51/97/07/1413519707.db2.gz PBZPXEIZMBPUCV-VAMGGRTRSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001700103489 1413521501 /nfs/dbraw/zinc/52/15/01/1413521501.db2.gz BEXUCNINCLTKSE-KESTWPANSA-N 1 3 345.531 3.100 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001700184847 1413603509 /nfs/dbraw/zinc/60/35/09/1413603509.db2.gz OXTJDDDZUAMYIZ-IBGZPJMESA-N 1 3 349.494 3.028 10 0 EGAEHO CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700341586 1413824187 /nfs/dbraw/zinc/82/41/87/1413824187.db2.gz WVSDERHICDDJRQ-KRWDZBQOSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C)C[N@@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700341586 1413824192 /nfs/dbraw/zinc/82/41/92/1413824192.db2.gz WVSDERHICDDJRQ-KRWDZBQOSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566285 1428758334 /nfs/dbraw/zinc/75/83/34/1428758334.db2.gz LRVBMHDIBCJIBW-IEBWSBKVSA-N 1 3 349.563 3.029 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700359122 1413867847 /nfs/dbraw/zinc/86/78/47/1413867847.db2.gz HBKWLRVARJKAJE-QGZVFWFLSA-N 1 3 339.568 3.323 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700359122 1413867852 /nfs/dbraw/zinc/86/78/52/1413867852.db2.gz HBKWLRVARJKAJE-QGZVFWFLSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001700463767 1414067604 /nfs/dbraw/zinc/06/76/04/1414067604.db2.gz MJVLEVAXTTXDSZ-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001700463767 1414067608 /nfs/dbraw/zinc/06/76/08/1414067608.db2.gz MJVLEVAXTTXDSZ-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC1CC2(CCC2)C1 ZINC001700498846 1414145520 /nfs/dbraw/zinc/14/55/20/1414145520.db2.gz GWBBMDQERWAPMH-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001700520635 1414175180 /nfs/dbraw/zinc/17/51/80/1414175180.db2.gz HZWHFJIEXULLAB-UHFFFAOYSA-N 1 3 344.503 3.170 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001700527540 1414191456 /nfs/dbraw/zinc/19/14/56/1414191456.db2.gz WBLDQJYMPVRTNV-AWTIPJNISA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001700527540 1414191457 /nfs/dbraw/zinc/19/14/57/1414191457.db2.gz WBLDQJYMPVRTNV-AWTIPJNISA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001700620445 1414289278 /nfs/dbraw/zinc/28/92/78/1414289278.db2.gz WJGWXJDXLAUVJV-FPLPWBNLSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001700620445 1414289280 /nfs/dbraw/zinc/28/92/80/1414289280.db2.gz WJGWXJDXLAUVJV-FPLPWBNLSA-N 1 3 349.563 3.245 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001700822087 1414478738 /nfs/dbraw/zinc/47/87/38/1414478738.db2.gz ISPUVVUXDJZFAW-SJLPKXTDSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001701001262 1414653803 /nfs/dbraw/zinc/65/38/03/1414653803.db2.gz NUOFUEVALJHBCF-SJLPKXTDSA-N 1 3 333.520 3.208 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001701058039 1414714290 /nfs/dbraw/zinc/71/42/90/1414714290.db2.gz OMONAANABUSDHJ-GOSISDBHSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001701058039 1414714292 /nfs/dbraw/zinc/71/42/92/1414714292.db2.gz OMONAANABUSDHJ-GOSISDBHSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001707076464 1417187507 /nfs/dbraw/zinc/18/75/07/1417187507.db2.gz ZDKQIRVUKUXZGF-QGZVKYPTSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC001707108319 1417204366 /nfs/dbraw/zinc/20/43/66/1417204366.db2.gz VKBBBNYADOURSH-IPMKNSEASA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001707123069 1417210157 /nfs/dbraw/zinc/21/01/57/1417210157.db2.gz CLYUURKLIXSZEB-KRWDZBQOSA-N 1 3 346.519 3.091 10 0 EGAEHO CC1CCC(C[NH+]2CCC(N(C)C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001713052337 1417604485 /nfs/dbraw/zinc/60/44/85/1417604485.db2.gz BQQMLSALFFVEFQ-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181089 1417755431 /nfs/dbraw/zinc/75/54/31/1417755431.db2.gz DEUOXDOCFATPNW-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181089 1417755432 /nfs/dbraw/zinc/75/54/32/1417755432.db2.gz DEUOXDOCFATPNW-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001713386107 1417996514 /nfs/dbraw/zinc/99/65/14/1417996514.db2.gz QKGINMYGVWOFKM-HXUWFJFHSA-N 1 3 345.531 3.108 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001713417352 1418041585 /nfs/dbraw/zinc/04/15/85/1418041585.db2.gz OQHLWCABDUQZID-XANICSHESA-N 1 3 341.515 3.040 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001713438695 1418071620 /nfs/dbraw/zinc/07/16/20/1418071620.db2.gz IKLKKIZYWKLFTQ-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001713438695 1418071624 /nfs/dbraw/zinc/07/16/24/1418071624.db2.gz IKLKKIZYWKLFTQ-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001713478363 1418161811 /nfs/dbraw/zinc/16/18/11/1418161811.db2.gz YULHDLVPPLUUCC-QGZVFWFLSA-N 1 3 339.911 3.179 10 0 EGAEHO CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001713478363 1418161813 /nfs/dbraw/zinc/16/18/13/1418161813.db2.gz YULHDLVPPLUUCC-QGZVFWFLSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001713666807 1418422329 /nfs/dbraw/zinc/42/23/29/1418422329.db2.gz DNGCFXPCCQHJFU-QGZVFWFLSA-N 1 3 341.499 3.289 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](CC1CCC1)C1CC1 ZINC001713773743 1418589532 /nfs/dbraw/zinc/58/95/32/1418589532.db2.gz YKGWHHOJQFNNAU-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC1CCC1)C1CC1 ZINC001713773743 1418589535 /nfs/dbraw/zinc/58/95/35/1418589535.db2.gz YKGWHHOJQFNNAU-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001713900168 1418700015 /nfs/dbraw/zinc/70/00/15/1418700015.db2.gz RCYAFYPZLCYYEL-GOSISDBHSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001713900168 1418700017 /nfs/dbraw/zinc/70/00/17/1418700017.db2.gz RCYAFYPZLCYYEL-GOSISDBHSA-N 1 3 349.563 3.079 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001714034239 1418823292 /nfs/dbraw/zinc/82/32/92/1418823292.db2.gz OKOSZRONAIJGJR-GLCUZYPYSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001714034239 1418823293 /nfs/dbraw/zinc/82/32/93/1418823293.db2.gz OKOSZRONAIJGJR-GLCUZYPYSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001714034241 1418823321 /nfs/dbraw/zinc/82/33/21/1418823321.db2.gz OKOSZRONAIJGJR-KJYWSYJISA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001714034241 1418823322 /nfs/dbraw/zinc/82/33/22/1418823322.db2.gz OKOSZRONAIJGJR-KJYWSYJISA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001714386396 1419136713 /nfs/dbraw/zinc/13/67/13/1419136713.db2.gz WIQKMKFEMRMPMA-SFHVURJKSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001714417836 1419154833 /nfs/dbraw/zinc/15/48/33/1419154833.db2.gz RBCFYCFNIVZNJC-WLTZFMEZSA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001714434654 1419167533 /nfs/dbraw/zinc/16/75/33/1419167533.db2.gz CTQUOXAYXYTCFL-ROUUACIJSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001714434654 1419167535 /nfs/dbraw/zinc/16/75/35/1419167535.db2.gz CTQUOXAYXYTCFL-ROUUACIJSA-N 1 3 337.552 3.218 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001714976354 1419710658 /nfs/dbraw/zinc/71/06/58/1419710658.db2.gz MKJSAJFYTHCENO-VQTJNVASSA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001715062087 1419800541 /nfs/dbraw/zinc/80/05/41/1419800541.db2.gz GFZZIGJNRCMPKL-QZTJIDSGSA-N 1 3 345.531 3.333 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157006 1419899964 /nfs/dbraw/zinc/89/99/64/1419899964.db2.gz SZPHUWBPGYBWGM-QUCCMNQESA-N 1 3 347.547 3.047 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC2CCCCC2)CC1 ZINC001715204222 1419937953 /nfs/dbraw/zinc/93/79/53/1419937953.db2.gz OEWIVFGATOKAFX-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001715256809 1419979315 /nfs/dbraw/zinc/97/93/15/1419979315.db2.gz OTZSPKQMHCJRCC-MSOLQXFVSA-N 1 3 349.563 3.173 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829334 1420359292 /nfs/dbraw/zinc/35/92/92/1420359292.db2.gz SQFBPRAYYLZKKQ-AJLCRXFPSA-N 1 3 347.478 3.023 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001715829334 1420359296 /nfs/dbraw/zinc/35/92/96/1420359296.db2.gz SQFBPRAYYLZKKQ-AJLCRXFPSA-N 1 3 347.478 3.023 10 0 EGAEHO CN(CCN(C)C(=O)CCC[NH+](C)C)Cc1cc2ccccc2s1 ZINC001715936983 1420407928 /nfs/dbraw/zinc/40/79/28/1420407928.db2.gz DBDFHVKJVUMUKY-UHFFFAOYSA-N 1 3 347.528 3.133 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001716075935 1420530418 /nfs/dbraw/zinc/53/04/18/1420530418.db2.gz TUQGTVOJJRAPBH-UYAOXDASSA-N 1 3 345.531 3.018 10 0 EGAEHO Cc1cc(CNC/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)s1 ZINC001716329974 1420606466 /nfs/dbraw/zinc/60/64/66/1420606466.db2.gz MVOQNHHZJYWRPG-AATRIKPKSA-N 1 3 349.544 3.001 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001716520365 1420748974 /nfs/dbraw/zinc/74/89/74/1420748974.db2.gz LCHDGTWJRPPEKS-IRXDYDNUSA-N 1 3 348.535 3.352 10 0 EGAEHO CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001733272065 1429434654 /nfs/dbraw/zinc/43/46/54/1429434654.db2.gz GCKNPFNRFQHLBH-WRDDNVDJSA-N 1 3 347.547 3.186 10 0 EGAEHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H](C)C2)cc1 ZINC001716770190 1420914398 /nfs/dbraw/zinc/91/43/98/1420914398.db2.gz WMKYCKYTHSRLFH-PXNSSMCTSA-N 1 3 345.531 3.058 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCC3)C2)CC1 ZINC001717103858 1421111550 /nfs/dbraw/zinc/11/15/50/1421111550.db2.gz LZGVRCYBXPEYSV-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001717201382 1421169042 /nfs/dbraw/zinc/16/90/42/1421169042.db2.gz AVUKHUHJQFWXON-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001717201382 1421169043 /nfs/dbraw/zinc/16/90/43/1421169043.db2.gz AVUKHUHJQFWXON-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309378 1421251794 /nfs/dbraw/zinc/25/17/94/1421251794.db2.gz LMRNMANMFXBRDF-PXEQJPNCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309378 1421251796 /nfs/dbraw/zinc/25/17/96/1421251796.db2.gz LMRNMANMFXBRDF-PXEQJPNCSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001717337998 1421275481 /nfs/dbraw/zinc/27/54/81/1421275481.db2.gz ONAZQTWJPJSQLP-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001717337998 1421275484 /nfs/dbraw/zinc/27/54/84/1421275484.db2.gz ONAZQTWJPJSQLP-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001717448156 1421378004 /nfs/dbraw/zinc/37/80/04/1421378004.db2.gz YIYPPTOFJZZBQW-UHFFFAOYSA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC1CCCC1 ZINC001717471808 1421404930 /nfs/dbraw/zinc/40/49/30/1421404930.db2.gz GBHVCTOXRHAIIC-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001717471808 1421404931 /nfs/dbraw/zinc/40/49/31/1421404931.db2.gz GBHVCTOXRHAIIC-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001717558666 1421494792 /nfs/dbraw/zinc/49/47/92/1421494792.db2.gz JLIWGHMFCMSBEC-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001717652686 1421552039 /nfs/dbraw/zinc/55/20/39/1421552039.db2.gz QYTSJIAJQDAQDR-UFYCRDLUSA-N 1 3 347.547 3.236 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001717979425 1421750770 /nfs/dbraw/zinc/75/07/70/1421750770.db2.gz AVOHMQBTDNHFCK-DLBZAZTESA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1cc(C)cc(C[NH+]2CCC(C)(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733361564 1429545802 /nfs/dbraw/zinc/54/58/02/1429545802.db2.gz ANIWHUCUOSOEHB-UHFFFAOYSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384166 1429570559 /nfs/dbraw/zinc/57/05/59/1429570559.db2.gz RXSOEQDENUQHPW-HNAYVOBHSA-N 1 3 349.494 3.103 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C)N(C)C ZINC001733563171 1429761793 /nfs/dbraw/zinc/76/17/93/1429761793.db2.gz KTDUQTQBPGZAEM-FCGDIQPGSA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C)N(C)C ZINC001733563171 1429761798 /nfs/dbraw/zinc/76/17/98/1429761798.db2.gz KTDUQTQBPGZAEM-FCGDIQPGSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001724859426 1425241762 /nfs/dbraw/zinc/24/17/62/1425241762.db2.gz DWBWDOQJKHLBRI-MRXNPFEDSA-N 1 3 337.483 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001724859426 1425241767 /nfs/dbraw/zinc/24/17/67/1425241767.db2.gz DWBWDOQJKHLBRI-MRXNPFEDSA-N 1 3 337.483 3.007 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167162 1425672134 /nfs/dbraw/zinc/67/21/34/1425672134.db2.gz USNUNTNUPHTKIO-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167162 1425672139 /nfs/dbraw/zinc/67/21/39/1425672139.db2.gz USNUNTNUPHTKIO-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCC2)CCCCC1 ZINC001725223833 1425793300 /nfs/dbraw/zinc/79/33/00/1425793300.db2.gz NOXCSNFIDBEZHH-SFHVURJKSA-N 1 3 335.536 3.068 10 0 EGAEHO C[C@@H]1C[C@@H](NCc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588773 1426244114 /nfs/dbraw/zinc/24/41/14/1426244114.db2.gz JIYYRFLQQVGNKD-SJLPKXTDSA-N 1 3 349.544 3.093 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001725668046 1426352010 /nfs/dbraw/zinc/35/20/10/1426352010.db2.gz ZOOBOAWPSNNGFH-QUCCMNQESA-N 1 3 345.531 3.018 10 0 EGAEHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CC3CCC4(CC4)CC3)C2)CCC1 ZINC001725779123 1426463312 /nfs/dbraw/zinc/46/33/12/1426463312.db2.gz AVBBPLIHEJBNSY-UHFFFAOYSA-N 1 3 347.547 3.020 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](Cc1ccsc1)C1CC1 ZINC001731346277 1427283759 /nfs/dbraw/zinc/28/37/59/1427283759.db2.gz LVFDIWPKJQRENB-GOSISDBHSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](Cc1ccsc1)C1CC1 ZINC001731346277 1427283764 /nfs/dbraw/zinc/28/37/64/1427283764.db2.gz LVFDIWPKJQRENB-GOSISDBHSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)(C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1)N1CCCC1 ZINC001731401930 1427362092 /nfs/dbraw/zinc/36/20/92/1427362092.db2.gz LRIGTZYVPFMYLG-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731522572 1427511585 /nfs/dbraw/zinc/51/15/85/1427511585.db2.gz DXDWRACPVWYXRC-LKGOPFMKSA-N 1 3 337.552 3.149 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555032 1427580328 /nfs/dbraw/zinc/58/03/28/1427580328.db2.gz QFCZAXGENDZBLT-PKOBYXMFSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001731555032 1427580333 /nfs/dbraw/zinc/58/03/33/1427580333.db2.gz QFCZAXGENDZBLT-PKOBYXMFSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001731761170 1427866587 /nfs/dbraw/zinc/86/65/87/1427866587.db2.gz QYXJFNFYKWGGRD-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001731761170 1427866590 /nfs/dbraw/zinc/86/65/90/1427866590.db2.gz QYXJFNFYKWGGRD-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)CC1=CCCCC1 ZINC001731777585 1427896139 /nfs/dbraw/zinc/89/61/39/1427896139.db2.gz FWVIDWMFFIMYFK-UHFFFAOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CN(CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC1=CCCCC1 ZINC001731777585 1427896144 /nfs/dbraw/zinc/89/61/44/1427896144.db2.gz FWVIDWMFFIMYFK-UHFFFAOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001733682323 1429893471 /nfs/dbraw/zinc/89/34/71/1429893471.db2.gz GNICYIYGDYLVTM-APWZRJJASA-N 1 3 349.494 3.187 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001733728355 1429958429 /nfs/dbraw/zinc/95/84/29/1429958429.db2.gz SNLHBVNYVQQUJW-UHFFFAOYSA-N 1 3 345.531 3.279 10 0 EGAEHO CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001733804090 1430072296 /nfs/dbraw/zinc/07/22/96/1430072296.db2.gz XTHIGYUYOJDXCG-UHFFFAOYSA-N 1 3 347.547 3.332 10 0 EGAEHO CCC1([NH2+]CC2CCCC2)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001733806981 1430078338 /nfs/dbraw/zinc/07/83/38/1430078338.db2.gz HYLDQOBPJMXZNW-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001733936731 1437751224 /nfs/dbraw/zinc/75/12/24/1437751224.db2.gz JTOGIKLKFMGUEY-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001733936731 1437751226 /nfs/dbraw/zinc/75/12/26/1437751226.db2.gz JTOGIKLKFMGUEY-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1C ZINC001733987233 1437783422 /nfs/dbraw/zinc/78/34/22/1437783422.db2.gz JNLKQWOYDVSMBG-ROUUACIJSA-N 1 3 347.547 3.264 10 0 EGAEHO CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001734197210 1437938566 /nfs/dbraw/zinc/93/85/66/1437938566.db2.gz MZFCYDKWEDCPEW-LJQANCHMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001734197210 1437938567 /nfs/dbraw/zinc/93/85/67/1437938567.db2.gz MZFCYDKWEDCPEW-LJQANCHMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001734352419 1438070449 /nfs/dbraw/zinc/07/04/49/1438070449.db2.gz OIJSWETVYNXTEF-OAHLLOKOSA-N 1 3 347.528 3.180 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001734394686 1438080298 /nfs/dbraw/zinc/08/02/98/1438080298.db2.gz JVTPTKFAQBAIJJ-QFBILLFUSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001734398376 1438081690 /nfs/dbraw/zinc/08/16/90/1438081690.db2.gz GTYKNCMJZMTEIM-IEBWSBKVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001734503654 1438136417 /nfs/dbraw/zinc/13/64/17/1438136417.db2.gz FUACRYQOBRTJGT-IBGZPJMESA-N 1 3 345.531 3.235 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@@H](C)OC)CC1 ZINC000361017415 283349375 /nfs/dbraw/zinc/34/93/75/283349375.db2.gz NHAFPMIOQODBGR-GOSISDBHSA-N 1 3 333.520 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@@H](C)OC)CC1 ZINC000361017415 283349376 /nfs/dbraw/zinc/34/93/76/283349376.db2.gz NHAFPMIOQODBGR-GOSISDBHSA-N 1 3 333.520 3.075 10 0 EGAEHO CCCCN1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000242191261 243011999 /nfs/dbraw/zinc/01/19/99/243011999.db2.gz XEDNBZSHQADMMQ-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCN1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000242191261 243012005 /nfs/dbraw/zinc/01/20/05/243012005.db2.gz XEDNBZSHQADMMQ-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccsc1 ZINC000262088630 284820803 /nfs/dbraw/zinc/82/08/03/284820803.db2.gz CFFXQRBBPZKHHY-NRSFXHEJSA-N 1 3 349.544 3.168 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000268704302 252154645 /nfs/dbraw/zinc/15/46/45/252154645.db2.gz HIOPWBWLQDOEBX-MISYRCLQSA-N 1 3 341.499 3.383 10 0 EGAEHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)Cc1ccc(Br)cc1F ZINC000414855533 309105802 /nfs/dbraw/zinc/10/58/02/309105802.db2.gz WWIUUEAQKFGHNF-FZMZJTMJSA-N 1 3 331.273 3.482 10 0 EGAEHO CC(C)N1CCC([N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352122388 165246607 /nfs/dbraw/zinc/24/66/07/165246607.db2.gz BVTYESMPFOARGK-UHFFFAOYSA-N 1 3 326.387 3.313 10 0 EGAEHO CC(C)N1CCC([N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352122388 165246610 /nfs/dbraw/zinc/24/66/10/165246610.db2.gz BVTYESMPFOARGK-UHFFFAOYSA-N 1 3 326.387 3.313 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367585587 168245304 /nfs/dbraw/zinc/24/53/04/168245304.db2.gz DQSQSESIQPPARG-GBESFXJTSA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367585587 168245306 /nfs/dbraw/zinc/24/53/06/168245306.db2.gz DQSQSESIQPPARG-GBESFXJTSA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367585587 168245307 /nfs/dbraw/zinc/24/53/07/168245307.db2.gz DQSQSESIQPPARG-GBESFXJTSA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H]2CCC[C@H]21 ZINC000367624089 168251389 /nfs/dbraw/zinc/25/13/89/168251389.db2.gz WCJZKDWJFZBOIV-HSALFYBXSA-N 1 3 342.462 3.016 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H]2CCC[C@H]21 ZINC000367624089 168251390 /nfs/dbraw/zinc/25/13/90/168251390.db2.gz WCJZKDWJFZBOIV-HSALFYBXSA-N 1 3 342.462 3.016 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cn2)CC1 ZINC000367638811 168253694 /nfs/dbraw/zinc/25/36/94/168253694.db2.gz QUUXCKAXLLMCPG-AQNXPRMDSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cn2)CC1 ZINC000367638811 168253696 /nfs/dbraw/zinc/25/36/96/168253696.db2.gz QUUXCKAXLLMCPG-AQNXPRMDSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)cn2)CC1 ZINC000367638811 168253698 /nfs/dbraw/zinc/25/36/98/168253698.db2.gz QUUXCKAXLLMCPG-AQNXPRMDSA-N 1 3 342.531 3.280 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[C@H](C)O1 ZINC000353249510 288160246 /nfs/dbraw/zinc/16/02/46/288160246.db2.gz MSUGNZHWPPGMRH-PXTPFGJHSA-N 1 3 338.536 3.061 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[C@@H](C)O1 ZINC000353249508 288160482 /nfs/dbraw/zinc/16/04/82/288160482.db2.gz MSUGNZHWPPGMRH-OUUBHVDSSA-N 1 3 338.536 3.061 10 0 EGAEHO CN(C[C@@H](O)C1CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249032517 308017310 /nfs/dbraw/zinc/01/73/10/308017310.db2.gz FKXAEAJWXROPLE-PZJWPPBQSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@@H](O)C1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249032517 308017311 /nfs/dbraw/zinc/01/73/11/308017311.db2.gz FKXAEAJWXROPLE-PZJWPPBQSA-N 1 3 330.516 3.382 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000414513392 309085753 /nfs/dbraw/zinc/08/57/53/309085753.db2.gz KDNPYDIWXPUHKP-HBFSDRIKSA-N 1 3 345.531 3.122 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295872005 308369665 /nfs/dbraw/zinc/36/96/65/308369665.db2.gz GGOWZQSDIQEKJP-ZMWHVPEISA-N 1 3 327.516 3.112 10 0 EGAEHO CCCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](CC)c1ccccc1 ZINC000414691037 309095605 /nfs/dbraw/zinc/09/56/05/309095605.db2.gz IKGIBVOAAMVPIF-QUCCMNQESA-N 1 3 345.531 3.437 10 0 EGAEHO CCCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](CC)c1ccccc1 ZINC000414691037 309095606 /nfs/dbraw/zinc/09/56/06/309095606.db2.gz IKGIBVOAAMVPIF-QUCCMNQESA-N 1 3 345.531 3.437 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000414816265 309103396 /nfs/dbraw/zinc/10/33/96/309103396.db2.gz ZSVJTWCBAPANGW-UONOGXRCSA-N 1 3 329.419 3.352 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414822597 309103763 /nfs/dbraw/zinc/10/37/63/309103763.db2.gz NDZLKSWBGYSJHF-DYEKYZERSA-N 1 3 343.284 3.497 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414822597 309103764 /nfs/dbraw/zinc/10/37/64/309103764.db2.gz NDZLKSWBGYSJHF-DYEKYZERSA-N 1 3 343.284 3.497 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000397571580 308904592 /nfs/dbraw/zinc/90/45/92/308904592.db2.gz YVCUWUXNKYSJQI-QWFCFKBJSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414908247 309108662 /nfs/dbraw/zinc/10/86/62/309108662.db2.gz BDUVPOZQQYPXIW-SCLBCKFNSA-N 1 3 339.886 3.031 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415057074 309117115 /nfs/dbraw/zinc/11/71/15/309117115.db2.gz TVJBWXVGAXHEQX-IEZWGBDMSA-N 1 3 334.479 3.477 10 0 EGAEHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000415131027 309122751 /nfs/dbraw/zinc/12/27/51/309122751.db2.gz RSTDEYZVFBMGGE-PZJWPPBQSA-N 1 3 344.499 3.194 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000415994814 309153685 /nfs/dbraw/zinc/15/36/85/309153685.db2.gz ISTMLNDYTWLCPB-OAHLLOKOSA-N 1 3 330.476 3.066 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000415994814 309153686 /nfs/dbraw/zinc/15/36/86/309153686.db2.gz ISTMLNDYTWLCPB-OAHLLOKOSA-N 1 3 330.476 3.066 10 0 EGAEHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422703100 309363902 /nfs/dbraw/zinc/36/39/02/309363902.db2.gz HAMVHYOADVYECS-VRXWPRPYSA-N 1 3 343.515 3.174 10 0 EGAEHO CCOc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC ZINC000422727392 309365260 /nfs/dbraw/zinc/36/52/60/309365260.db2.gz HIJVHLUBDLEGRC-CYBMUJFWSA-N 1 3 329.444 3.107 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752650 309366684 /nfs/dbraw/zinc/36/66/84/309366684.db2.gz CVAVMOVEGOMZIO-QAPCUYQASA-N 1 3 342.462 3.307 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422818253 309370171 /nfs/dbraw/zinc/37/01/71/309370171.db2.gz FUPILCVWGROANO-CYBMUJFWSA-N 1 3 341.455 3.206 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818232 309370212 /nfs/dbraw/zinc/37/02/12/309370212.db2.gz FSFYGKYYUFMQMB-OAHLLOKOSA-N 1 3 330.520 3.296 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871269 309373009 /nfs/dbraw/zinc/37/30/09/309373009.db2.gz YNGOXMBOUKHEIU-UKRRQHHQSA-N 1 3 346.425 3.056 10 0 EGAEHO Clc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422879165 309373603 /nfs/dbraw/zinc/37/36/03/309373603.db2.gz UUQLPDPQXRKHCX-CIRFHOKZSA-N 1 3 348.922 3.214 10 0 EGAEHO COc1ccc(C)cc1C1(CN[C@H]2CCCCC[C@H]2[NH3+])CCOCC1 ZINC000422895719 309374920 /nfs/dbraw/zinc/37/49/20/309374920.db2.gz GKFFYHURCIAVSO-MOPGFXCFSA-N 1 3 346.515 3.301 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422921668 309376164 /nfs/dbraw/zinc/37/61/64/309376164.db2.gz OOMKFVXBMVBTNF-HBGVWJBISA-N 1 3 343.515 3.240 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422921668 309376165 /nfs/dbraw/zinc/37/61/65/309376165.db2.gz OOMKFVXBMVBTNF-HBGVWJBISA-N 1 3 343.515 3.240 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422921667 309376188 /nfs/dbraw/zinc/37/61/88/309376188.db2.gz OOMKFVXBMVBTNF-CZAAIQMYSA-N 1 3 343.515 3.240 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422921667 309376189 /nfs/dbraw/zinc/37/61/89/309376189.db2.gz OOMKFVXBMVBTNF-CZAAIQMYSA-N 1 3 343.515 3.240 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033683 309381969 /nfs/dbraw/zinc/38/19/69/309381969.db2.gz ZPCRZRFPAVLKGL-PKOBYXMFSA-N 1 3 347.890 3.362 10 0 EGAEHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000423176255 309389198 /nfs/dbraw/zinc/38/91/98/309389198.db2.gz FYYLRSBBZQENAK-PSGMQZRDSA-N 1 3 325.456 3.312 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)[C@H]1CCCNC1 ZINC000423204934 309390309 /nfs/dbraw/zinc/39/03/09/309390309.db2.gz AVRACNIWZKUSSD-QEJZJMRPSA-N 1 3 337.305 3.284 10 0 EGAEHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(N2CCOCC2)c1 ZINC000423291960 309394051 /nfs/dbraw/zinc/39/40/51/309394051.db2.gz KTRAWEQPJOJROJ-DLBZAZTESA-N 1 3 339.483 3.394 10 0 EGAEHO C[C@@H]1CC[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400344 309398541 /nfs/dbraw/zinc/39/85/41/309398541.db2.gz VBJDDRMOGVXLAW-MRVWCRGKSA-N 1 3 347.450 3.112 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000449071989 310034690 /nfs/dbraw/zinc/03/46/90/310034690.db2.gz CZRVZQDRAIUNCR-QUCCMNQESA-N 1 3 341.543 3.156 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC[C@@H](C)C2)CC1 ZINC000449084976 310035780 /nfs/dbraw/zinc/03/57/80/310035780.db2.gz ZKDAETUJLGYCSG-WOJBJXKFSA-N 1 3 343.559 3.404 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](C)N(C)C2CC2)CC1 ZINC000449133105 310039345 /nfs/dbraw/zinc/03/93/45/310039345.db2.gz CMJKLTFRACNMRZ-MSOLQXFVSA-N 1 3 329.532 3.154 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+]Cc3ccnc(C)c3)CC2)cc1 ZINC000527647660 312897757 /nfs/dbraw/zinc/89/77/57/312897757.db2.gz OOPIOGTVUGMSBS-UHFFFAOYSA-N 1 3 339.483 3.400 10 0 EGAEHO Cc1cc([C@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)ccc1F ZINC000539164607 314299446 /nfs/dbraw/zinc/29/94/46/314299446.db2.gz XGLPYCSTVIFNKV-HXUWFJFHSA-N 1 3 333.495 3.202 10 0 EGAEHO Cc1cc([C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)ccc1F ZINC000540260456 314372480 /nfs/dbraw/zinc/37/24/80/314372480.db2.gz IEYLDVPAYNHBCF-FQEVSTJZSA-N 1 3 333.495 3.201 10 0 EGAEHO CN1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000570310206 317038501 /nfs/dbraw/zinc/03/85/01/317038501.db2.gz QRGIAFURLCUYIH-VHDGCEQUSA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000570310206 317038504 /nfs/dbraw/zinc/03/85/04/317038504.db2.gz QRGIAFURLCUYIH-VHDGCEQUSA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000570310206 317038507 /nfs/dbraw/zinc/03/85/07/317038507.db2.gz QRGIAFURLCUYIH-VHDGCEQUSA-N 1 3 344.286 3.230 10 0 EGAEHO COc1ccc(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)c1OC ZINC000623532496 460600254 /nfs/dbraw/zinc/60/02/54/460600254.db2.gz VUVUKKPPDDEXCI-CQSZACIVSA-N 1 3 340.895 3.362 10 0 EGAEHO COc1ccc(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(Cl)c1OC ZINC000623532496 460600258 /nfs/dbraw/zinc/60/02/58/460600258.db2.gz VUVUKKPPDDEXCI-CQSZACIVSA-N 1 3 340.895 3.362 10 0 EGAEHO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245776140 455378048 /nfs/dbraw/zinc/37/80/48/455378048.db2.gz YDCAOSUNBYUWKH-DKQPQCJKSA-N 1 3 348.490 3.430 10 0 EGAEHO CCN(CC)C(=O)C[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000119732037 454217100 /nfs/dbraw/zinc/21/71/00/454217100.db2.gz BQZBLIHFDDZTTI-GOSISDBHSA-N 1 3 345.531 3.409 10 0 EGAEHO COc1ccc([C@@H]2[C@H](CN[C@H](C)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000095982625 454249816 /nfs/dbraw/zinc/24/98/16/454249816.db2.gz QERKCKAFEGHNIQ-MOXGXCLJSA-N 1 3 325.456 3.434 10 0 EGAEHO COc1ccc([C@@H]2[C@H](CN[C@H](C)c3ccncc3)CC[N@H+]2C)cc1 ZINC000095982625 454249819 /nfs/dbraw/zinc/24/98/19/454249819.db2.gz QERKCKAFEGHNIQ-MOXGXCLJSA-N 1 3 325.456 3.434 10 0 EGAEHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)CC3 ZINC000123112408 454602981 /nfs/dbraw/zinc/60/29/81/454602981.db2.gz FBERTKIUFGLSGX-HOTGVXAUSA-N 1 3 341.499 3.355 10 0 EGAEHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccc(OC)c1 ZINC000154463285 454898653 /nfs/dbraw/zinc/89/86/53/454898653.db2.gz ICRDECGIAXJRPJ-HXUWFJFHSA-N 1 3 333.520 3.154 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000180170918 455144275 /nfs/dbraw/zinc/14/42/75/455144275.db2.gz OEZASGMLTOSAMM-LRGNLBRXSA-N 1 3 328.500 3.302 10 0 EGAEHO Cc1cc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n[nH]1 ZINC000245646288 455346452 /nfs/dbraw/zinc/34/64/52/455346452.db2.gz BNWVZZDBFDLJCE-SKBHOOIQSA-N 1 3 338.499 3.434 10 0 EGAEHO CC[C@@H](C)NC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737187 455368771 /nfs/dbraw/zinc/36/87/71/455368771.db2.gz QZCCXLBFKXVQNT-AFYVEPGGSA-N 1 3 343.515 3.076 10 0 EGAEHO CC[C@@H](C)NC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737187 455368774 /nfs/dbraw/zinc/36/87/74/455368774.db2.gz QZCCXLBFKXVQNT-AFYVEPGGSA-N 1 3 343.515 3.076 10 0 EGAEHO Cc1cccc2c1[nH+]cc(C)c2N1CCCN(Cc2cnn(C)c2)CC1 ZINC000185298882 455536088 /nfs/dbraw/zinc/53/60/88/455536088.db2.gz HGVOAEPDXGSCOF-UHFFFAOYSA-N 1 3 349.482 3.297 10 0 EGAEHO C[N@@H+]1CC[C@@]2(CCN(CCC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292235707 455604034 /nfs/dbraw/zinc/60/40/34/455604034.db2.gz WEYONLLHEYRQSI-OAQYLSRUSA-N 1 3 337.467 3.196 10 0 EGAEHO C[N@H+]1CC[C@@]2(CCN(CCC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292235707 455604038 /nfs/dbraw/zinc/60/40/38/455604038.db2.gz WEYONLLHEYRQSI-OAQYLSRUSA-N 1 3 337.467 3.196 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000268895085 455722288 /nfs/dbraw/zinc/72/22/88/455722288.db2.gz ARVQBOHEEHUCCW-WLRLJWMZSA-N 1 3 329.532 3.359 10 0 EGAEHO CO[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000249156194 455745813 /nfs/dbraw/zinc/74/58/13/455745813.db2.gz IHKBPJMWKWQVDX-LAUBAEHRSA-N 1 3 345.531 3.074 10 0 EGAEHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000270986075 456087862 /nfs/dbraw/zinc/08/78/62/456087862.db2.gz WHEJJCLNOAGKDW-QGZVFWFLSA-N 1 3 343.515 3.085 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CC=CCC2)C3)cc1 ZINC000280959775 456092882 /nfs/dbraw/zinc/09/28/82/456092882.db2.gz KJABGBXCQGAYKS-WKCHPHFGSA-N 1 3 325.500 3.034 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2CC=CCC2)C3)cc1 ZINC000280959775 456092889 /nfs/dbraw/zinc/09/28/89/456092889.db2.gz KJABGBXCQGAYKS-WKCHPHFGSA-N 1 3 325.500 3.034 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCN2CC=CCC2)C3)cc1 ZINC000280959775 456092892 /nfs/dbraw/zinc/09/28/92/456092892.db2.gz KJABGBXCQGAYKS-WKCHPHFGSA-N 1 3 325.500 3.034 10 0 EGAEHO CCCc1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301789299 456214808 /nfs/dbraw/zinc/21/48/08/456214808.db2.gz MLXNDFQGETVRQQ-HZPDHXFCSA-N 1 3 327.472 3.079 10 0 EGAEHO COc1ccc([C@@H](Cc2ccncc2)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281925 462382454 /nfs/dbraw/zinc/38/24/54/462382454.db2.gz MIFIRNWZEYVKTL-WOJBJXKFSA-N 1 3 327.472 3.337 10 0 EGAEHO COC1(C[C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000277057218 456666870 /nfs/dbraw/zinc/66/68/70/456666870.db2.gz HRXIMQXTPHKXEL-UYAOXDASSA-N 1 3 330.516 3.488 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CN1Cc1ccccc1 ZINC000353396300 456673442 /nfs/dbraw/zinc/67/34/42/456673442.db2.gz SOJXKGWWSSPIRE-PPQDBTBKSA-N 1 3 327.516 3.112 10 0 EGAEHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348465109 456699571 /nfs/dbraw/zinc/69/95/71/456699571.db2.gz KEWJVKQSFBCNMU-GYMWCJPTSA-N 1 3 343.515 3.075 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000353456981 456701023 /nfs/dbraw/zinc/70/10/23/456701023.db2.gz XOVRBXDNPYNCBT-HKBOAZHASA-N 1 3 327.516 3.113 10 0 EGAEHO CC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000341304088 456837497 /nfs/dbraw/zinc/83/74/97/456837497.db2.gz STRYMGAWJMRMGH-GOSISDBHSA-N 1 3 349.906 3.124 10 0 EGAEHO Cc1cc(C)c(NC(=O)CCCN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292151627 456869479 /nfs/dbraw/zinc/86/94/79/456869479.db2.gz NNRCYKXSXKPZTO-OAQYLSRUSA-N 1 3 343.515 3.358 10 0 EGAEHO Cc1cc(C)c(NC(=O)CCCN2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000292151627 456869483 /nfs/dbraw/zinc/86/94/83/456869483.db2.gz NNRCYKXSXKPZTO-OAQYLSRUSA-N 1 3 343.515 3.358 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000349970702 457126532 /nfs/dbraw/zinc/12/65/32/457126532.db2.gz XVDBUDRARMDKMK-HXUWFJFHSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000349970702 457126537 /nfs/dbraw/zinc/12/65/37/457126537.db2.gz XVDBUDRARMDKMK-HXUWFJFHSA-N 1 3 343.515 3.032 10 0 EGAEHO Cc1ccccc1[C@]1(F)CCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000374339407 457591152 /nfs/dbraw/zinc/59/11/52/457591152.db2.gz XOVCSQCAVCPKHM-NRFANRHFSA-N 1 3 347.522 3.282 10 0 EGAEHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620817 457683470 /nfs/dbraw/zinc/68/34/70/457683470.db2.gz XWXDDAIKWAIZIM-UTKZUKDTSA-N 1 3 342.527 3.149 10 0 EGAEHO C[C@H]1CC(C)(C)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000412030680 458052993 /nfs/dbraw/zinc/05/29/93/458052993.db2.gz ACQZRZFKDFCANV-KRWDZBQOSA-N 1 3 343.515 3.019 10 0 EGAEHO C[N@H+](Cc1ccccc1)C1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000423480205 458439202 /nfs/dbraw/zinc/43/92/02/458439202.db2.gz NEOPHJHKNULJDB-DAWZGUTISA-N 1 3 337.458 3.016 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000423480205 458439206 /nfs/dbraw/zinc/43/92/06/458439206.db2.gz NEOPHJHKNULJDB-DAWZGUTISA-N 1 3 337.458 3.016 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000462903854 458666365 /nfs/dbraw/zinc/66/63/65/458666365.db2.gz DDCCWZBRZUYBDS-NRFANRHFSA-N 1 3 345.531 3.123 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2cc(Br)cs2)[C@@H]2CCC[C@@H]21 ZINC000582137915 459315135 /nfs/dbraw/zinc/31/51/35/459315135.db2.gz HIWXLDRFVMZKQM-IHRRRGAJSA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2cc(Br)cs2)[C@@H]2CCC[C@@H]21 ZINC000582137915 459315137 /nfs/dbraw/zinc/31/51/37/459315137.db2.gz HIWXLDRFVMZKQM-IHRRRGAJSA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@@H]2CCC[C@@H]21 ZINC000582137915 459315144 /nfs/dbraw/zinc/31/51/44/459315144.db2.gz HIWXLDRFVMZKQM-IHRRRGAJSA-N 1 3 329.307 3.473 10 0 EGAEHO C[C@H]1CCN(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000562495783 459572916 /nfs/dbraw/zinc/57/29/16/459572916.db2.gz SYYQIVHUTSINLS-WJMWBRGCSA-N 1 3 327.516 3.113 10 0 EGAEHO CC(C)[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000543774423 459698253 /nfs/dbraw/zinc/69/82/53/459698253.db2.gz MWNPBUXNLFQCQY-LJQANCHMSA-N 1 3 339.474 3.279 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000544846676 459787670 /nfs/dbraw/zinc/78/76/70/459787670.db2.gz FMIOFOYCELMMPP-QGZVFWFLSA-N 1 3 327.472 3.480 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575195075 459946555 /nfs/dbraw/zinc/94/65/55/459946555.db2.gz ASSVTGVHCQBHRF-KJWYOANISA-N 1 3 339.886 3.474 10 0 EGAEHO CCn1nccc1CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000576055227 460060209 /nfs/dbraw/zinc/06/02/09/460060209.db2.gz KWWZVIVTSZNGBH-SFHVURJKSA-N 1 3 332.536 3.422 10 0 EGAEHO CCn1nccc1CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000576055227 460060216 /nfs/dbraw/zinc/06/02/16/460060216.db2.gz KWWZVIVTSZNGBH-SFHVURJKSA-N 1 3 332.536 3.422 10 0 EGAEHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338128 460495550 /nfs/dbraw/zinc/49/55/50/460495550.db2.gz MIKXSOZIMFAMDP-QUCCMNQESA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338128 460495558 /nfs/dbraw/zinc/49/55/58/460495558.db2.gz MIKXSOZIMFAMDP-QUCCMNQESA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338128 460495562 /nfs/dbraw/zinc/49/55/62/460495562.db2.gz MIKXSOZIMFAMDP-QUCCMNQESA-N 1 3 345.531 3.295 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CC1(C)C ZINC000623356538 460507041 /nfs/dbraw/zinc/50/70/41/460507041.db2.gz WEKNNTKZJZXWHO-FQEVSTJZSA-N 1 3 329.532 3.156 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000623378667 460518614 /nfs/dbraw/zinc/51/86/14/460518614.db2.gz KWJKWKKEWIEPDS-RDJZCZTQSA-N 1 3 329.488 3.337 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623383175 460519342 /nfs/dbraw/zinc/51/93/42/460519342.db2.gz HPGOFXDXFPWMSW-PMACEKPBSA-N 1 3 329.532 3.361 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CC1(C)C ZINC000623386360 460522063 /nfs/dbraw/zinc/52/20/63/460522063.db2.gz SRRUGVPICFFCOX-IAGOWNOFSA-N 1 3 335.561 3.423 10 0 EGAEHO COc1cccc(C[C@@H]([NH2+]CC2(N)CCOCC2)c2ccccc2)c1 ZINC000629525564 460796360 /nfs/dbraw/zinc/79/63/60/460796360.db2.gz WINMEXGTCYIHEM-HXUWFJFHSA-N 1 3 340.467 3.077 10 0 EGAEHO C[NH2+]CCOCCN[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000629529985 460797309 /nfs/dbraw/zinc/79/73/09/460797309.db2.gz SADXPCBEEAOWSR-CYBMUJFWSA-N 1 3 333.259 3.033 10 0 EGAEHO Cc1nc(-c2cc([C@H](C)NCCOCCC[NH3+])cs2)cs1 ZINC000629542382 460801186 /nfs/dbraw/zinc/80/11/86/460801186.db2.gz YQOSKSODBQDMDD-NSHDSACASA-N 1 3 325.503 3.196 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000617556031 460905030 /nfs/dbraw/zinc/90/50/30/460905030.db2.gz IHQDBKRUNVZTCY-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000617556031 460905035 /nfs/dbraw/zinc/90/50/35/460905035.db2.gz IHQDBKRUNVZTCY-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248868 461141818 /nfs/dbraw/zinc/14/18/18/461141818.db2.gz LJRUBDPNXLCQRC-MRXNPFEDSA-N 1 3 347.466 3.106 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccccc2Cl)C1 ZINC000652360356 461154721 /nfs/dbraw/zinc/15/47/21/461154721.db2.gz FYUFYSUOEDEEPH-QGPMSJSTSA-N 1 3 338.879 3.080 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cc(F)cc3cccnc32)C1 ZINC000652363039 461156709 /nfs/dbraw/zinc/15/67/09/461156709.db2.gz VZYLBQCLAWGHLC-QRVBRYPASA-N 1 3 343.446 3.235 10 0 EGAEHO C[C@@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)c(Cl)cc1Cl ZINC000662280825 461163494 /nfs/dbraw/zinc/16/34/94/461163494.db2.gz GBQMUBRVDPRWTE-ZJUUUORDSA-N 1 3 333.234 3.304 10 0 EGAEHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCSc3ccc(F)cc3)CC2)C1 ZINC000662282428 461165354 /nfs/dbraw/zinc/16/53/54/461165354.db2.gz UUCZGFUYQWAQKI-FUHWJXTLSA-N 1 3 338.492 3.136 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662402028 461232471 /nfs/dbraw/zinc/23/24/71/461232471.db2.gz FGNUIARWZXWRNA-GPMSIDNRSA-N 1 3 343.515 3.094 10 0 EGAEHO c1ccc(N2CC[C@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106036 461243317 /nfs/dbraw/zinc/24/33/17/461243317.db2.gz YKTZDBXMUZJZFI-CTNGQTDRSA-N 1 3 327.516 3.463 10 0 EGAEHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288735 461275857 /nfs/dbraw/zinc/27/58/57/461275857.db2.gz QAHLCGCEIIMWHX-PZJWPPBQSA-N 1 3 349.478 3.002 10 0 EGAEHO O=C(C[C@H]1NCc2ccccc21)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000659288735 461275869 /nfs/dbraw/zinc/27/58/69/461275869.db2.gz QAHLCGCEIIMWHX-PZJWPPBQSA-N 1 3 349.478 3.002 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)Cc1ccccc1 ZINC000668489129 461302798 /nfs/dbraw/zinc/30/27/98/461302798.db2.gz CQHRHFYCQIHPJA-AVRDEDQJSA-N 1 3 338.495 3.222 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H](CN[C@@H]3CO[C@@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713324 461391869 /nfs/dbraw/zinc/39/18/69/461391869.db2.gz MQESQTKLGUAKAU-PCCBWWKXSA-N 1 3 340.511 3.446 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H](CN[C@@H]3CO[C@@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713324 461391877 /nfs/dbraw/zinc/39/18/77/461391877.db2.gz MQESQTKLGUAKAU-PCCBWWKXSA-N 1 3 340.511 3.446 10 0 EGAEHO c1ccc(CN2C[C@H](C[NH2+]CC[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713299 461392976 /nfs/dbraw/zinc/39/29/76/461392976.db2.gz LWBMBVOCCNURJN-UXHICEINSA-N 1 3 328.500 3.305 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631043421 461495936 /nfs/dbraw/zinc/49/59/36/461495936.db2.gz VQRCRGNZCHTXMS-CALCHBBNSA-N 1 3 332.536 3.147 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631043421 461495944 /nfs/dbraw/zinc/49/59/44/461495944.db2.gz VQRCRGNZCHTXMS-CALCHBBNSA-N 1 3 332.536 3.147 10 0 EGAEHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655940057 461547043 /nfs/dbraw/zinc/54/70/43/461547043.db2.gz OJPPRXYKWHZEMZ-OALUTQOASA-N 1 3 338.442 3.116 10 0 EGAEHO Cc1scc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1C ZINC000631109277 461558236 /nfs/dbraw/zinc/55/82/36/461558236.db2.gz BUSXOEVQPDWFDX-LJQANCHMSA-N 1 3 330.497 3.221 10 0 EGAEHO Cc1scc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C ZINC000631109277 461558243 /nfs/dbraw/zinc/55/82/43/461558243.db2.gz BUSXOEVQPDWFDX-LJQANCHMSA-N 1 3 330.497 3.221 10 0 EGAEHO CC(C)C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000647295647 461620176 /nfs/dbraw/zinc/62/01/76/461620176.db2.gz QSEDLIPQRMJSJY-IBGZPJMESA-N 1 3 342.487 3.294 10 0 EGAEHO Cc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc(C)n1 ZINC000643293849 461671489 /nfs/dbraw/zinc/67/14/89/461671489.db2.gz FNDLXWIOUNHXCS-UHFFFAOYSA-N 1 3 339.483 3.463 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C[C@H]2CCCCO2)cc1 ZINC000656402403 461733014 /nfs/dbraw/zinc/73/30/14/461733014.db2.gz FYDOOAHZTSFSQQ-MNVIUDHYSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C[C@H]2CCCCO2)cc1 ZINC000656402403 461733019 /nfs/dbraw/zinc/73/30/19/461733019.db2.gz FYDOOAHZTSFSQQ-MNVIUDHYSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCCO2)cc1 ZINC000656402403 461733023 /nfs/dbraw/zinc/73/30/23/461733023.db2.gz FYDOOAHZTSFSQQ-MNVIUDHYSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@H]2CCCCO2)cc1 ZINC000656402403 461733027 /nfs/dbraw/zinc/73/30/27/461733027.db2.gz FYDOOAHZTSFSQQ-MNVIUDHYSA-N 1 3 340.511 3.398 10 0 EGAEHO c1cnn(C2CC([NH2+]C[C@H]3CCCCN(Cc4ccccc4)C3)C2)c1 ZINC000639196396 461796910 /nfs/dbraw/zinc/79/69/10/461796910.db2.gz ZPLCYTFYLCPKEF-QNGMFEMESA-N 1 3 338.499 3.479 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(OCC3CC3)cc2)C1 ZINC000650723484 461914311 /nfs/dbraw/zinc/91/43/11/461914311.db2.gz OXWLDUGRKJIQPR-NRSPTQNISA-N 1 3 344.499 3.336 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650757975 461938521 /nfs/dbraw/zinc/93/85/21/461938521.db2.gz FWLMNWFNOUBHKH-AWEZNQCLSA-N 1 3 337.467 3.487 10 0 EGAEHO FC1(F)Oc2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cc2O1 ZINC000648052104 461959778 /nfs/dbraw/zinc/95/97/78/461959778.db2.gz MDJLDSARVHOARB-UHFFFAOYSA-N 1 3 347.365 3.162 10 0 EGAEHO Cn1ncc(C2CCC2)c1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000657425990 462115403 /nfs/dbraw/zinc/11/54/03/462115403.db2.gz UCYPAWWXVVYPGP-UHFFFAOYSA-N 1 3 339.487 3.089 10 0 EGAEHO CN1CCC(N2CCC([NH2+][C@H]3CCCc4ccccc4C3)CC2)CC1 ZINC000648439134 462120086 /nfs/dbraw/zinc/12/00/86/462120086.db2.gz PWDJYBIWZYYKAJ-NRFANRHFSA-N 1 3 341.543 3.082 10 0 EGAEHO COc1ccc([C@@H]2CCN(Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667569658 462149841 /nfs/dbraw/zinc/14/98/41/462149841.db2.gz PGVMHRIPBGUKME-QGZVFWFLSA-N 1 3 334.423 3.265 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc4cc[nH]c43)cc2)C1 ZINC000657596626 462197934 /nfs/dbraw/zinc/19/79/34/462197934.db2.gz XZVRMXRUFGFICT-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4cc[nH]c43)cc2)C1 ZINC000657596626 462197941 /nfs/dbraw/zinc/19/79/41/462197941.db2.gz XZVRMXRUFGFICT-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO Cc1ccc2cc(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)[nH]c2c1 ZINC000657597441 462198625 /nfs/dbraw/zinc/19/86/25/462198625.db2.gz OKXYXKULDDKGJK-OAQYLSRUSA-N 1 3 349.478 3.333 10 0 EGAEHO Cc1ccc2cc(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)[nH]c2c1 ZINC000657597441 462198630 /nfs/dbraw/zinc/19/86/30/462198630.db2.gz OKXYXKULDDKGJK-OAQYLSRUSA-N 1 3 349.478 3.333 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCO[C@H]1CC1(F)F ZINC000657619172 462206754 /nfs/dbraw/zinc/20/67/54/462206754.db2.gz STOXOUQDCXJMPR-INIZCTEOSA-N 1 3 326.431 3.158 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCO[C@H]1CC1(F)F ZINC000657619172 462206760 /nfs/dbraw/zinc/20/67/60/462206760.db2.gz STOXOUQDCXJMPR-INIZCTEOSA-N 1 3 326.431 3.158 10 0 EGAEHO CN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676841 462299692 /nfs/dbraw/zinc/29/96/92/462299692.db2.gz PKIQLDZGPMARJE-MRXNPFEDSA-N 1 3 339.886 3.084 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C(C)(C)C(F)F ZINC000657872871 462303943 /nfs/dbraw/zinc/30/39/43/462303943.db2.gz JBLZRLISBPJCJQ-CQSZACIVSA-N 1 3 340.458 3.413 10 0 EGAEHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273209 462378582 /nfs/dbraw/zinc/37/85/82/462378582.db2.gz RQLRFOLUQUJEQE-ZJOUEHCJSA-N 1 3 335.451 3.102 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000665276023 462379791 /nfs/dbraw/zinc/37/97/91/462379791.db2.gz XBCOIIVKOUJXDD-GFCCVEGCSA-N 1 3 326.469 3.352 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1nccc2ccccc21 ZINC000658109308 462390498 /nfs/dbraw/zinc/39/04/98/462390498.db2.gz VOQGYIGFYTZNFA-IRXDYDNUSA-N 1 3 328.504 3.157 10 0 EGAEHO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658136617 462400680 /nfs/dbraw/zinc/40/06/80/462400680.db2.gz DOHZJGBFIGYCHO-RTBURBONSA-N 1 3 344.524 3.426 10 0 EGAEHO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139932 462403382 /nfs/dbraw/zinc/40/33/82/462403382.db2.gz OPIIORWRJHSXOM-DNVCBOLYSA-N 1 3 330.497 3.036 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCc4occc43)cc2)C1 ZINC000658141954 462405663 /nfs/dbraw/zinc/40/56/63/462405663.db2.gz YEMQRNNFXBVGSB-MJGOQNOKSA-N 1 3 326.440 3.013 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCc4occc43)cc2)C1 ZINC000658141954 462405672 /nfs/dbraw/zinc/40/56/72/462405672.db2.gz YEMQRNNFXBVGSB-MJGOQNOKSA-N 1 3 326.440 3.013 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658141773 462405725 /nfs/dbraw/zinc/40/57/25/462405725.db2.gz UOENIQXOBPJIJI-MAUKXSAKSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658141773 462405731 /nfs/dbraw/zinc/40/57/31/462405731.db2.gz UOENIQXOBPJIJI-MAUKXSAKSA-N 1 3 330.497 3.474 10 0 EGAEHO OCC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000652037254 462412331 /nfs/dbraw/zinc/41/23/31/462412331.db2.gz KKZALUVHEUCRBT-QHAWAJNXSA-N 1 3 342.527 3.429 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339069555 547568501 /nfs/dbraw/zinc/56/85/01/547568501.db2.gz XGMFALINTRIVHL-ULQDDVLXSA-N 1 3 349.469 3.146 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339069555 547568507 /nfs/dbraw/zinc/56/85/07/547568507.db2.gz XGMFALINTRIVHL-ULQDDVLXSA-N 1 3 349.469 3.146 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCN(C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542563 547823723 /nfs/dbraw/zinc/82/37/23/547823723.db2.gz RMXMIUOQRVMBNL-VLCRHTCISA-N 1 3 339.527 3.113 10 0 EGAEHO c1cncc(CN2CCC([C@@H]3CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC000169749228 1294370423 /nfs/dbraw/zinc/37/04/23/1294370423.db2.gz BOTNQWURTUWDOI-OAQYLSRUSA-N 1 3 336.483 3.211 10 0 EGAEHO c1cncc(CN2CCC([C@@H]3CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC000169749228 1294370427 /nfs/dbraw/zinc/37/04/27/1294370427.db2.gz BOTNQWURTUWDOI-OAQYLSRUSA-N 1 3 336.483 3.211 10 0 EGAEHO C[C@@H](NC(=O)[C@@H](C)N(C)CCCCCC[NH3+])c1cc2ccccc2o1 ZINC000872155687 1296771516 /nfs/dbraw/zinc/77/15/16/1296771516.db2.gz YLQSZLGTVCWDEY-HZPDHXFCSA-N 1 3 345.487 3.449 10 0 EGAEHO CC(C)CN1CCC([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000405940758 1297766664 /nfs/dbraw/zinc/76/66/64/1297766664.db2.gz LOTKWDHAUJGIIX-UHFFFAOYSA-N 1 3 341.540 3.390 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550656 1298280620 /nfs/dbraw/zinc/28/06/20/1298280620.db2.gz CIUUUOITUJHYHX-NCOADZHNSA-N 1 3 339.524 3.237 10 0 EGAEHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550656 1298280629 /nfs/dbraw/zinc/28/06/29/1298280629.db2.gz CIUUUOITUJHYHX-NCOADZHNSA-N 1 3 339.524 3.237 10 0 EGAEHO c1nc(-c2ccccc2)oc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806041 1328976715 /nfs/dbraw/zinc/97/67/15/1328976715.db2.gz MBXLSYIXLRYTDK-UHFFFAOYSA-N 1 3 334.423 3.449 10 0 EGAEHO CSCc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000921753507 1322392632 /nfs/dbraw/zinc/39/26/32/1322392632.db2.gz DEINKIDGWMYXRH-SFHVURJKSA-N 1 3 334.529 3.140 10 0 EGAEHO CCCC[N@H+](C[C@H]1CCc2ncnn21)C1CC(C)(C)NC(C)(C)C1 ZINC000931032891 1329033846 /nfs/dbraw/zinc/03/38/46/1329033846.db2.gz BAZAGMKYOCHVCF-OAHLLOKOSA-N 1 3 333.524 3.177 10 0 EGAEHO CCCC[N@@H+](C[C@H]1CCc2ncnn21)C1CC(C)(C)NC(C)(C)C1 ZINC000931032891 1329033848 /nfs/dbraw/zinc/03/38/48/1329033848.db2.gz BAZAGMKYOCHVCF-OAHLLOKOSA-N 1 3 333.524 3.177 10 0 EGAEHO COC(=O)c1ccc(CNC2CCC(C)([NH+]3CCC3)CC2)c(F)c1 ZINC000922846578 1322631588 /nfs/dbraw/zinc/63/15/88/1322631588.db2.gz NKDRALTZSWCEFT-UHFFFAOYSA-N 1 3 334.435 3.109 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1 ZINC000923027145 1322677672 /nfs/dbraw/zinc/67/76/72/1322677672.db2.gz ZSCPKWKWYVXPAV-OAQYLSRUSA-N 1 3 340.467 3.415 10 0 EGAEHO CCc1cc2oc(=O)cc(CN3CC[C@H](C[NH3+])[C@@H](C)C3)c2cc1Cl ZINC000923496588 1322761396 /nfs/dbraw/zinc/76/13/96/1322761396.db2.gz HYLQSEJCTMZWRY-GXTWGEPZSA-N 1 3 348.874 3.426 10 0 EGAEHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481985 1325169683 /nfs/dbraw/zinc/16/96/83/1325169683.db2.gz PKIICUNHKATGMF-IMJJTQAJSA-N 1 3 331.460 3.200 10 0 EGAEHO C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512940 1325185735 /nfs/dbraw/zinc/18/57/35/1325185735.db2.gz CXXWNHIEFJJFPX-UGFHNGPFSA-N 1 3 339.277 3.076 10 0 EGAEHO Cc1nc2ccccc2n1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925516570 1325186691 /nfs/dbraw/zinc/18/66/91/1325186691.db2.gz DQSTYWNSBANNFF-ROUUACIJSA-N 1 3 326.488 3.103 10 0 EGAEHO c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925536085 1325196531 /nfs/dbraw/zinc/19/65/31/1325196531.db2.gz MWUZLJGHLNVWRU-RTWAWAEBSA-N 1 3 338.499 3.173 10 0 EGAEHO [NH3+][C@@H]1C[C@@H](NCCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658281 1325251860 /nfs/dbraw/zinc/25/18/60/1325251860.db2.gz WHUULOFQISPSRJ-HUUCEWRRSA-N 1 3 328.378 3.030 10 0 EGAEHO FC(F)(F)c1ccnc(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925678733 1325259121 /nfs/dbraw/zinc/25/91/21/1325259121.db2.gz WZMVJVQGDCFMOX-IRXDYDNUSA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1ccnc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925678733 1325259125 /nfs/dbraw/zinc/25/91/25/1325259125.db2.gz WZMVJVQGDCFMOX-IRXDYDNUSA-N 1 3 341.421 3.401 10 0 EGAEHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCC1(F)F)CCCS2 ZINC000925775867 1325295094 /nfs/dbraw/zinc/29/50/94/1325295094.db2.gz HVQWYSZLFSRCHS-IUODEOHRSA-N 1 3 342.455 3.457 10 0 EGAEHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCC1(F)F)CCS2 ZINC000925776274 1325295127 /nfs/dbraw/zinc/29/51/27/1325295127.db2.gz KRBGNMXBCWJXAW-BXUZGUMPSA-N 1 3 328.428 3.067 10 0 EGAEHO COCCC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925775312 1325295867 /nfs/dbraw/zinc/29/58/67/1325295867.db2.gz FNNPWZFGWFHHKU-HOCLYGCPSA-N 1 3 330.394 3.128 10 0 EGAEHO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(C)(C)CN2CCCC2)n(C)n1 ZINC000926274952 1325500439 /nfs/dbraw/zinc/50/04/39/1325500439.db2.gz MEZPVGYLDDNUNW-MJGOQNOKSA-N 1 3 332.536 3.151 10 0 EGAEHO COCC[N@H+](C)CCCC1CCN(Cc2ccnc(F)c2C)CC1 ZINC000862249892 1329471416 /nfs/dbraw/zinc/47/14/16/1329471416.db2.gz GCCLGTURJUEHOW-UHFFFAOYSA-N 1 3 337.483 3.100 10 0 EGAEHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnc(F)c2C)CC1 ZINC000862249892 1329471418 /nfs/dbraw/zinc/47/14/18/1329471418.db2.gz GCCLGTURJUEHOW-UHFFFAOYSA-N 1 3 337.483 3.100 10 0 EGAEHO Cc1ccnc(CNC(C)(C)CCC[NH+](C)C)c1Br ZINC000865591005 1329717279 /nfs/dbraw/zinc/71/72/79/1329717279.db2.gz ZNDDLKNNKNOFKL-UHFFFAOYSA-N 1 3 328.298 3.363 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001324096566 1387539472 /nfs/dbraw/zinc/53/94/72/1387539472.db2.gz COVAPPPCFUMFQB-IEBWSBKVSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)N(C)C ZINC001324496896 1387650457 /nfs/dbraw/zinc/65/04/57/1387650457.db2.gz DNXBWOBMFJZQSC-MOPGFXCFSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658375 1387720467 /nfs/dbraw/zinc/72/04/67/1387720467.db2.gz VIFPYXFPMNZLJF-RXVVDRJESA-N 1 3 347.547 3.332 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658375 1387720470 /nfs/dbraw/zinc/72/04/70/1387720470.db2.gz VIFPYXFPMNZLJF-RXVVDRJESA-N 1 3 347.547 3.332 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001324787360 1387773142 /nfs/dbraw/zinc/77/31/42/1387773142.db2.gz DZETXXHLLSMVGS-AZUAARDMSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1(C)[C@@H](O)CCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001194627225 1368299215 /nfs/dbraw/zinc/29/92/15/1368299215.db2.gz WRNOAOGKVMTMCC-FQEVSTJZSA-N 1 3 330.516 3.176 10 0 EGAEHO C[C@H]1CN(Cc2ccc(-c3cnn(C)c3)cc2)CCN1c1cc[nH+]cc1 ZINC001119516240 1371360168 /nfs/dbraw/zinc/36/01/68/1371360168.db2.gz SETZZAGLSLFERT-KRWDZBQOSA-N 1 3 347.466 3.193 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001326675713 1388279558 /nfs/dbraw/zinc/27/95/58/1388279558.db2.gz RFPZPPAQSYFDCV-OXQOHEQNSA-N 1 3 345.531 3.047 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001326675713 1388279560 /nfs/dbraw/zinc/27/95/60/1388279560.db2.gz RFPZPPAQSYFDCV-OXQOHEQNSA-N 1 3 345.531 3.047 10 0 EGAEHO CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001266374203 1377299060 /nfs/dbraw/zinc/29/90/60/1377299060.db2.gz ULAZMXUMYQKIRS-KRWDZBQOSA-N 1 3 335.536 3.022 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001266842677 1377390440 /nfs/dbraw/zinc/39/04/40/1377390440.db2.gz SDXHRFBMXVKUCL-WYNBNGFRSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001266842677 1377390445 /nfs/dbraw/zinc/39/04/45/1377390445.db2.gz SDXHRFBMXVKUCL-WYNBNGFRSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001266971956 1377406168 /nfs/dbraw/zinc/40/61/68/1377406168.db2.gz RSGWSJJHLDYHKS-MRXNPFEDSA-N 1 3 337.552 3.029 10 0 EGAEHO C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001146982802 1378952776 /nfs/dbraw/zinc/95/27/76/1378952776.db2.gz YFJWDTVOLGSVJG-DFOCNDDDSA-N 1 3 337.552 3.147 10 0 EGAEHO C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001146982802 1378952778 /nfs/dbraw/zinc/95/27/78/1378952778.db2.gz YFJWDTVOLGSVJG-DFOCNDDDSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001284088132 1379454552 /nfs/dbraw/zinc/45/45/52/1379454552.db2.gz UGUWYEPMFGQXPO-GUDVDZBRSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001327905563 1388620525 /nfs/dbraw/zinc/62/05/25/1388620525.db2.gz VOVLHFNCMWNGTD-PKOBYXMFSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)Cc1cc(C)ccc1C)C(C)C)N(C)C ZINC001284538887 1379946032 /nfs/dbraw/zinc/94/60/32/1379946032.db2.gz YQBNHJHCZJBVBB-HXUWFJFHSA-N 1 3 347.547 3.312 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)Cc1cc(C)ccc1C)C(C)C)N(C)C ZINC001284538887 1379946036 /nfs/dbraw/zinc/94/60/36/1379946036.db2.gz YQBNHJHCZJBVBB-HXUWFJFHSA-N 1 3 347.547 3.312 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)[C@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554078 1379962943 /nfs/dbraw/zinc/96/29/43/1379962943.db2.gz YRTRIYRYIOZKTC-PMACEKPBSA-N 1 3 345.531 3.183 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554078 1379962944 /nfs/dbraw/zinc/96/29/44/1379962944.db2.gz YRTRIYRYIOZKTC-PMACEKPBSA-N 1 3 345.531 3.183 10 0 EGAEHO C[C@H](CCNC(=O)c1ccc(NC2=NCCC2)cc1)[NH+]1CCCCC1 ZINC001154078589 1380200709 /nfs/dbraw/zinc/20/07/09/1380200709.db2.gz OIZZSKNBASRAAV-MRXNPFEDSA-N 1 3 342.487 3.285 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001328048358 1388653246 /nfs/dbraw/zinc/65/32/46/1388653246.db2.gz GUBHRWLTNJAXPT-KRWDZBQOSA-N 1 3 339.568 3.370 10 0 EGAEHO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)n1 ZINC001328186379 1388686205 /nfs/dbraw/zinc/68/62/05/1388686205.db2.gz UMRQVNPMVICGSJ-SFHVURJKSA-N 1 3 348.454 3.047 10 0 EGAEHO Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)n1 ZINC001328186379 1388686207 /nfs/dbraw/zinc/68/62/07/1388686207.db2.gz UMRQVNPMVICGSJ-SFHVURJKSA-N 1 3 348.454 3.047 10 0 EGAEHO CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001328588703 1388784294 /nfs/dbraw/zinc/78/42/94/1388784294.db2.gz XYEXTTQJGWEVJY-GHOSXJJBSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001328588703 1388784297 /nfs/dbraw/zinc/78/42/97/1388784297.db2.gz XYEXTTQJGWEVJY-GHOSXJJBSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328662161 1388801751 /nfs/dbraw/zinc/80/17/51/1388801751.db2.gz PXBHAMCVRWZISA-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001316774480 1384573244 /nfs/dbraw/zinc/57/32/44/1384573244.db2.gz UCFZKYWCXIXOKM-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001316804869 1384595315 /nfs/dbraw/zinc/59/53/15/1384595315.db2.gz DKLNNCUIVABQGR-ZWKOTPCHSA-N 1 3 325.541 3.076 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001316804869 1384595318 /nfs/dbraw/zinc/59/53/18/1384595318.db2.gz DKLNNCUIVABQGR-ZWKOTPCHSA-N 1 3 325.541 3.076 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001171808350 1384644931 /nfs/dbraw/zinc/64/49/31/1384644931.db2.gz UVSYXSUMXMYYJM-CMKODMSKSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001171808350 1384644939 /nfs/dbraw/zinc/64/49/39/1384644939.db2.gz UVSYXSUMXMYYJM-CMKODMSKSA-N 1 3 343.515 3.030 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001316904759 1384684386 /nfs/dbraw/zinc/68/43/86/1384684386.db2.gz YZNXMGFHEPYSSU-HKUYNNGSSA-N 1 3 345.531 3.226 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001316904759 1384684389 /nfs/dbraw/zinc/68/43/89/1384684389.db2.gz YZNXMGFHEPYSSU-HKUYNNGSSA-N 1 3 345.531 3.226 10 0 EGAEHO CN(CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001317065015 1384835391 /nfs/dbraw/zinc/83/53/91/1384835391.db2.gz NXGKFSRMNGHZBX-SFHVURJKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001317272536 1385043092 /nfs/dbraw/zinc/04/30/92/1385043092.db2.gz ULRVIDAOTNIPDA-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407037 1385119298 /nfs/dbraw/zinc/11/92/98/1385119298.db2.gz VFDVUKUPQCAWLW-DNVCBOLYSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)(C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CC1)N1CCCCC1 ZINC001317423188 1385130179 /nfs/dbraw/zinc/13/01/79/1385130179.db2.gz LQRVPQGMZMUBDI-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NCCC[C@H]1CCC[N@H+]1CCC1CC1)N1CCCCC1 ZINC001317423188 1385130181 /nfs/dbraw/zinc/13/01/81/1385130181.db2.gz LQRVPQGMZMUBDI-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C(C)C)c1 ZINC001317434167 1385137910 /nfs/dbraw/zinc/13/79/10/1385137910.db2.gz JUFXMXTVWCBHFV-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C(C)C)c1 ZINC001317434167 1385137911 /nfs/dbraw/zinc/13/79/11/1385137911.db2.gz JUFXMXTVWCBHFV-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317478815 1385174661 /nfs/dbraw/zinc/17/46/61/1385174661.db2.gz XZEKCDARZWQDRX-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317478815 1385174663 /nfs/dbraw/zinc/17/46/63/1385174663.db2.gz XZEKCDARZWQDRX-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CCC/C=C\CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317975596 1385594806 /nfs/dbraw/zinc/59/48/06/1385594806.db2.gz PGFQIVWDUYUCDB-XOUUWWQPSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317975596 1385594808 /nfs/dbraw/zinc/59/48/08/1385594808.db2.gz PGFQIVWDUYUCDB-XOUUWWQPSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001318929575 1385885325 /nfs/dbraw/zinc/88/53/25/1385885325.db2.gz SGQQGLCYQIHJIP-UHFFFAOYSA-N 1 3 345.531 3.055 10 0 EGAEHO CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001318938060 1385888781 /nfs/dbraw/zinc/88/87/81/1385888781.db2.gz RRXNDUJKJNSBRB-PRPIBZDOSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001319251399 1386025464 /nfs/dbraw/zinc/02/54/64/1386025464.db2.gz SAFUFOQRRZBTGC-SJORKVTESA-N 1 3 337.552 3.029 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001319251396 1386025930 /nfs/dbraw/zinc/02/59/30/1386025930.db2.gz SAFUFOQRRZBTGC-DLBZAZTESA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001319591996 1386194480 /nfs/dbraw/zinc/19/44/80/1386194480.db2.gz GDLDYTIKEGEXDU-KRWDZBQOSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCN1C(C)C ZINC001319609371 1386207658 /nfs/dbraw/zinc/20/76/58/1386207658.db2.gz LLVQNSNHDRDXMB-QZTJIDSGSA-N 1 3 339.568 3.416 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001321663553 1386953326 /nfs/dbraw/zinc/95/33/26/1386953326.db2.gz QPIFDYDNRZIXJS-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001322281524 1387138055 /nfs/dbraw/zinc/13/80/55/1387138055.db2.gz PWAFHVDNHVBRAC-MJGOQNOKSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001322281524 1387138057 /nfs/dbraw/zinc/13/80/57/1387138057.db2.gz PWAFHVDNHVBRAC-MJGOQNOKSA-N 1 3 345.531 3.088 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322346622 1387165884 /nfs/dbraw/zinc/16/58/84/1387165884.db2.gz PFAIHLOMYWCXAT-WLMAVBAVSA-N 1 3 349.563 3.482 10 0 EGAEHO CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC001322852605 1387246753 /nfs/dbraw/zinc/24/67/53/1387246753.db2.gz SGGSPNPPWQDKLI-PMACEKPBSA-N 1 3 345.531 3.450 10 0 EGAEHO CCCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001329291397 1389051847 /nfs/dbraw/zinc/05/18/47/1389051847.db2.gz TVDGFJBGRBVCPB-UHFFFAOYSA-N 1 3 325.541 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001331075260 1389622067 /nfs/dbraw/zinc/62/20/67/1389622067.db2.gz UATWENYABVGYPV-INIZCTEOSA-N 1 3 349.494 3.150 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001331075260 1389622072 /nfs/dbraw/zinc/62/20/72/1389622072.db2.gz UATWENYABVGYPV-INIZCTEOSA-N 1 3 349.494 3.150 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001331176544 1389643370 /nfs/dbraw/zinc/64/33/70/1389643370.db2.gz LPNBBWGTWRWEDQ-SFHVURJKSA-N 1 3 331.504 3.108 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748724 1406399235 /nfs/dbraw/zinc/39/92/35/1406399235.db2.gz PALFMNDWTAUXPK-PKOBYXMFSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)N(C)C ZINC001332809408 1390191980 /nfs/dbraw/zinc/19/19/80/1390191980.db2.gz YAINEQYFNHWVQW-SJORKVTESA-N 1 3 339.568 3.129 10 0 EGAEHO C[C@H](NC(=O)CN(C)C1CCC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001332992754 1390232355 /nfs/dbraw/zinc/23/23/55/1390232355.db2.gz QTBIKTWWPVDAFJ-KRWDZBQOSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001333459129 1390309270 /nfs/dbraw/zinc/30/92/70/1390309270.db2.gz YJUSCZYFSXQHJV-QZTJIDSGSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001333459129 1390309274 /nfs/dbraw/zinc/30/92/74/1390309274.db2.gz YJUSCZYFSXQHJV-QZTJIDSGSA-N 1 3 335.536 3.044 10 0 EGAEHO CN(CC(=O)NCCC[N@H+](C)[C@H]1CCc2ccccc21)CC(C)(C)C ZINC001479796023 1392395414 /nfs/dbraw/zinc/39/54/14/1392395414.db2.gz ALZREPAWKRILMQ-IBGZPJMESA-N 1 3 345.531 3.090 10 0 EGAEHO CN(CC(=O)NCCC[N@@H+](C)[C@H]1CCc2ccccc21)CC(C)(C)C ZINC001479796023 1392395416 /nfs/dbraw/zinc/39/54/16/1392395416.db2.gz ALZREPAWKRILMQ-IBGZPJMESA-N 1 3 345.531 3.090 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001480103306 1392587087 /nfs/dbraw/zinc/58/70/87/1392587087.db2.gz KGPFLMFNYBZWGB-KDURUIRLSA-N 1 3 335.536 3.118 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)c1 ZINC001480122226 1392595272 /nfs/dbraw/zinc/59/52/72/1392595272.db2.gz XCGYOFRJBYLJFK-FQEVSTJZSA-N 1 3 343.515 3.133 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001480266460 1392651020 /nfs/dbraw/zinc/65/10/20/1392651020.db2.gz STYRCSPWLYFXIX-TZFVZSICSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001480266460 1392651021 /nfs/dbraw/zinc/65/10/21/1392651021.db2.gz STYRCSPWLYFXIX-TZFVZSICSA-N 1 3 349.563 3.435 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC001480366543 1392709677 /nfs/dbraw/zinc/70/96/77/1392709677.db2.gz ALZSCVRSRSVSFK-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001480461841 1392759839 /nfs/dbraw/zinc/75/98/39/1392759839.db2.gz OWRGZYDBDSZSJB-QGZVFWFLSA-N 1 3 349.563 3.316 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001481976818 1394637996 /nfs/dbraw/zinc/63/79/96/1394637996.db2.gz MFKRTPFBXUNLJO-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(C)C1(C(=O)NCC2([NH2+]CC3CC4(CCC4)C3)CCCC2)CCC1 ZINC001482222037 1394815482 /nfs/dbraw/zinc/81/54/82/1394815482.db2.gz UNHQOLYOPPKJJS-UHFFFAOYSA-N 1 3 347.547 3.070 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CCCCC2)CCC1 ZINC001482406732 1394970565 /nfs/dbraw/zinc/97/05/65/1394970565.db2.gz TXANVYNMHXPERN-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001482954837 1395098543 /nfs/dbraw/zinc/09/85/43/1395098543.db2.gz AGIXPUCRDMLGEM-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCCC1)C2 ZINC001484321432 1395339589 /nfs/dbraw/zinc/33/95/89/1395339589.db2.gz KIZXCYLKTGTMIT-UFYCRDLUSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCCC1)C2 ZINC001484321432 1395339590 /nfs/dbraw/zinc/33/95/90/1395339590.db2.gz KIZXCYLKTGTMIT-UFYCRDLUSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)CC1CCCC1)N(C)C ZINC001484553251 1395433078 /nfs/dbraw/zinc/43/30/78/1395433078.db2.gz BNGBMUJEDBDKGA-HXUWFJFHSA-N 1 3 345.531 3.265 10 0 EGAEHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)CC1CCCC1)N(C)C ZINC001484553251 1395433082 /nfs/dbraw/zinc/43/30/82/1395433082.db2.gz BNGBMUJEDBDKGA-HXUWFJFHSA-N 1 3 345.531 3.265 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960203 1396174063 /nfs/dbraw/zinc/17/40/63/1396174063.db2.gz BKQLVNLDUPEHMD-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)N(C)C ZINC001493134873 1396337416 /nfs/dbraw/zinc/33/74/16/1396337416.db2.gz GDJNLAPMFLLBRP-RBUKOAKNSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1)N(C)C ZINC001493134873 1396337417 /nfs/dbraw/zinc/33/74/17/1396337417.db2.gz GDJNLAPMFLLBRP-RBUKOAKNSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001494083060 1396357941 /nfs/dbraw/zinc/35/79/41/1396357941.db2.gz LUNMUVQYZKUFEU-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001494083060 1396357945 /nfs/dbraw/zinc/35/79/45/1396357945.db2.gz LUNMUVQYZKUFEU-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001495602564 1396548373 /nfs/dbraw/zinc/54/83/73/1396548373.db2.gz PAMOJIDZQFJWLB-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)(C)CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001495602564 1396548376 /nfs/dbraw/zinc/54/83/76/1396548376.db2.gz PAMOJIDZQFJWLB-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001496366163 1396670106 /nfs/dbraw/zinc/67/01/06/1396670106.db2.gz AJTIGFHFONVJOU-IEBWSBKVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585869 1396770933 /nfs/dbraw/zinc/77/09/33/1396770933.db2.gz NOKSHUMYPOVXJX-KWNLBSCQSA-N 1 3 349.906 3.003 10 0 EGAEHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585869 1396770939 /nfs/dbraw/zinc/77/09/39/1396770939.db2.gz NOKSHUMYPOVXJX-KWNLBSCQSA-N 1 3 349.906 3.003 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C ZINC001497678161 1396780650 /nfs/dbraw/zinc/78/06/50/1396780650.db2.gz CMUMKYWHQPBMNL-LPADLIQXSA-N 1 3 345.531 3.296 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001497765652 1396835873 /nfs/dbraw/zinc/83/58/73/1396835873.db2.gz SRHBUSDCMVPCAA-LLYBFZRZSA-N 1 3 337.895 3.003 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001498316737 1396964556 /nfs/dbraw/zinc/96/45/56/1396964556.db2.gz NGEXCDITPDMLCH-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001498316737 1396964562 /nfs/dbraw/zinc/96/45/62/1396964562.db2.gz NGEXCDITPDMLCH-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001731999548 1428209685 /nfs/dbraw/zinc/20/96/85/1428209685.db2.gz FSUBQDHIVZKRQB-ZWKOTPCHSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001690207361 1404415380 /nfs/dbraw/zinc/41/53/80/1404415380.db2.gz VJBSEAGTDIVJRF-UVRCQCPESA-N 1 3 347.547 3.282 10 0 EGAEHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001690207361 1404415386 /nfs/dbraw/zinc/41/53/86/1404415386.db2.gz VJBSEAGTDIVJRF-UVRCQCPESA-N 1 3 347.547 3.282 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001690427794 1404554400 /nfs/dbraw/zinc/55/44/00/1404554400.db2.gz VYENXKCMVCEAMV-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CN(CC(=O)N1CC[C@H](C[NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001690713203 1404695767 /nfs/dbraw/zinc/69/57/67/1404695767.db2.gz LXEUKVMJLMKRNB-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815476 1404750405 /nfs/dbraw/zinc/75/04/05/1404750405.db2.gz UTQZTIYXPTWOJF-RURPWVQCSA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815476 1404750407 /nfs/dbraw/zinc/75/04/07/1404750407.db2.gz UTQZTIYXPTWOJF-RURPWVQCSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CC1CCC2(CC2)CC1 ZINC001691055609 1404975504 /nfs/dbraw/zinc/97/55/04/1404975504.db2.gz FMDDXVYURUJGLI-HDICACEKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CC1CCC2(CC2)CC1 ZINC001691055609 1404975509 /nfs/dbraw/zinc/97/55/09/1404975509.db2.gz FMDDXVYURUJGLI-HDICACEKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691065835 1404992182 /nfs/dbraw/zinc/99/21/82/1404992182.db2.gz GXMQLGSZOWSYKX-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001691585949 1405347438 /nfs/dbraw/zinc/34/74/38/1405347438.db2.gz LXHNPJRWHLVRTK-GPXQEHKYSA-N 1 3 335.536 3.090 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001691620098 1405360716 /nfs/dbraw/zinc/36/07/16/1405360716.db2.gz GTZWZTAVQYGGKX-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCCCC2)C1 ZINC001691661609 1405395347 /nfs/dbraw/zinc/39/53/47/1405395347.db2.gz VWPZRHUGERGJPH-AZUAARDMSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCCCC2)C1 ZINC001691661609 1405395352 /nfs/dbraw/zinc/39/53/52/1405395352.db2.gz VWPZRHUGERGJPH-AZUAARDMSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001691692458 1405426901 /nfs/dbraw/zinc/42/69/01/1405426901.db2.gz PGHRHFRDMKYPOE-ROUUACIJSA-N 1 3 339.568 3.226 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001691796718 1405508148 /nfs/dbraw/zinc/50/81/48/1405508148.db2.gz MQDXNOZLANLOLM-YLJYHZDGSA-N 1 3 349.494 3.056 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001731771146 1427881189 /nfs/dbraw/zinc/88/11/89/1427881189.db2.gz JGFRAUVHPQILFD-VQTJNVASSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCN(C)Cc2ccc(C(C)C)cc2)CC[N@H+]1C ZINC001731771146 1427881195 /nfs/dbraw/zinc/88/11/95/1427881195.db2.gz JGFRAUVHPQILFD-VQTJNVASSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001692194862 1405833883 /nfs/dbraw/zinc/83/38/83/1405833883.db2.gz MZGRLHHKSUEXFC-HMTUNPETSA-N 1 3 347.547 3.330 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001692194862 1405833889 /nfs/dbraw/zinc/83/38/89/1405833889.db2.gz MZGRLHHKSUEXFC-HMTUNPETSA-N 1 3 347.547 3.330 10 0 EGAEHO Cc1cc(CN2CC[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C)cs1 ZINC001692368387 1405977699 /nfs/dbraw/zinc/97/76/99/1405977699.db2.gz QQHYXVWTCSMKQA-NJAFHUGGSA-N 1 3 349.544 3.010 10 0 EGAEHO Cc1cc(CN2CC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C)cs1 ZINC001692368387 1405977700 /nfs/dbraw/zinc/97/77/00/1405977700.db2.gz QQHYXVWTCSMKQA-NJAFHUGGSA-N 1 3 349.544 3.010 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCCCC2)C1 ZINC001732067888 1428315877 /nfs/dbraw/zinc/31/58/77/1428315877.db2.gz BCQVWUKQUMLCTF-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCCCC2)C1 ZINC001732067888 1428315878 /nfs/dbraw/zinc/31/58/78/1428315878.db2.gz BCQVWUKQUMLCTF-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)CCC(C)(C)C)CC2)CCC1 ZINC001732085326 1428344879 /nfs/dbraw/zinc/34/48/79/1428344879.db2.gz IDGZBKWEILZPDP-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)CCC(C)(C)C)CC2)CCC1 ZINC001732085326 1428344881 /nfs/dbraw/zinc/34/48/81/1428344881.db2.gz IDGZBKWEILZPDP-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001732399891 1428566102 /nfs/dbraw/zinc/56/61/02/1428566102.db2.gz IZCBXOBNSMNRJV-IRXDYDNUSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)N1CCCCCC1 ZINC001732470022 1428598570 /nfs/dbraw/zinc/59/85/70/1428598570.db2.gz PRTOSJXSGZVAKQ-ZWKOTPCHSA-N 1 3 325.541 3.027 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001699101850 1412510920 /nfs/dbraw/zinc/51/09/20/1412510920.db2.gz YFGDDVKFLUHART-ICSRJNTNSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)cc1 ZINC001699236451 1412592938 /nfs/dbraw/zinc/59/29/38/1412592938.db2.gz KQGGKUPDLNKWSW-OEIHOAGASA-N 1 3 343.515 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001699346903 1412655511 /nfs/dbraw/zinc/65/55/11/1412655511.db2.gz WJXBMZYQFHTGOR-BQYQJAHWSA-N 1 3 345.531 3.086 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1C ZINC001699553747 1412921006 /nfs/dbraw/zinc/92/10/06/1412921006.db2.gz HQPVVVYHLQGALJ-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCC(C)C ZINC001699608720 1412972509 /nfs/dbraw/zinc/97/25/09/1412972509.db2.gz WSBXUTRQBDSGGI-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCC(C)C ZINC001699608718 1412972685 /nfs/dbraw/zinc/97/26/85/1412972685.db2.gz WSBXUTRQBDSGGI-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](NC1(CNC(=O)CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC001699676155 1413069658 /nfs/dbraw/zinc/06/96/58/1413069658.db2.gz PKEKQFYGPIPTDJ-INIZCTEOSA-N 1 3 347.478 3.001 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001699732571 1413144411 /nfs/dbraw/zinc/14/44/11/1413144411.db2.gz HFJQFKKGWGDULE-IKSUFZCESA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001699767958 1413173095 /nfs/dbraw/zinc/17/30/95/1413173095.db2.gz YTFXTMGHXRUOGZ-KKHYBRAUSA-N 1 3 343.515 3.299 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876442 1413334928 /nfs/dbraw/zinc/33/49/28/1413334928.db2.gz YATJNBUEISSIIG-RRFGBZISSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876442 1413334930 /nfs/dbraw/zinc/33/49/30/1413334930.db2.gz YATJNBUEISSIIG-RRFGBZISSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001699876865 1413336328 /nfs/dbraw/zinc/33/63/28/1413336328.db2.gz LAEDTEMYPMXKRF-YDFHMDALSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001699876865 1413336332 /nfs/dbraw/zinc/33/63/32/1413336332.db2.gz LAEDTEMYPMXKRF-YDFHMDALSA-N 1 3 337.552 3.147 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001700053375 1413475128 /nfs/dbraw/zinc/47/51/28/1413475128.db2.gz LMQVIBVZHVTMNE-OALUTQOASA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001700142620 1413565022 /nfs/dbraw/zinc/56/50/22/1413565022.db2.gz BPHNUIYGKMXRKG-IAGOWNOFSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)N1CCCCC1 ZINC001700142982 1413565876 /nfs/dbraw/zinc/56/58/76/1413565876.db2.gz KSXUCWNNZWXQSY-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001700178251 1413588247 /nfs/dbraw/zinc/58/82/47/1413588247.db2.gz INVAJHFNFWZNHS-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001700178251 1413588250 /nfs/dbraw/zinc/58/82/50/1413588250.db2.gz INVAJHFNFWZNHS-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](C/C=C\c2ccccc2)CC1 ZINC001700183338 1413599344 /nfs/dbraw/zinc/59/93/44/1413599344.db2.gz DLDMIEGCKBMZCM-QRGKHIHXSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)CC1 ZINC001700183338 1413599346 /nfs/dbraw/zinc/59/93/46/1413599346.db2.gz DLDMIEGCKBMZCM-QRGKHIHXSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001700229501 1413687656 /nfs/dbraw/zinc/68/76/56/1413687656.db2.gz KLTPHKUVPFAMNS-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001700229501 1413687658 /nfs/dbraw/zinc/68/76/58/1413687658.db2.gz KLTPHKUVPFAMNS-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCCC2CCC2)CC1)N(C)C ZINC001700437608 1414006147 /nfs/dbraw/zinc/00/61/47/1414006147.db2.gz KBNRBTVAOMTZFH-ACBHZAAOSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001700677740 1414332312 /nfs/dbraw/zinc/33/23/12/1414332312.db2.gz GTPGDKFHCRSYOL-ZWKOTPCHSA-N 1 3 345.531 3.415 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001700780636 1414463237 /nfs/dbraw/zinc/46/32/37/1414463237.db2.gz OBNYMRKXRCIGGS-MSOLQXFVSA-N 1 3 333.520 3.141 10 0 EGAEHO CC(C)c1ccc(CN2CC=C(CNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001701056011 1414711644 /nfs/dbraw/zinc/71/16/44/1414711644.db2.gz RZXYWZJCNVLMBX-UHFFFAOYSA-N 1 3 343.515 3.010 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001732604859 1428858579 /nfs/dbraw/zinc/85/85/79/1428858579.db2.gz GJFSFLROTDVUDY-ZSQQTYLHSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001732604859 1428858582 /nfs/dbraw/zinc/85/85/82/1428858582.db2.gz GJFSFLROTDVUDY-ZSQQTYLHSA-N 1 3 349.563 3.243 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)CN2CCC(C)CC2)c1 ZINC001732915388 1429045735 /nfs/dbraw/zinc/04/57/35/1429045735.db2.gz USOCUYFHQZDTRP-PXPVJAHISA-N 1 3 343.515 3.050 10 0 EGAEHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001707049213 1417161017 /nfs/dbraw/zinc/16/10/17/1417161017.db2.gz XGTWRAFOHKFSEP-IBGZPJMESA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CCN1C/C=C\c1ccccc1 ZINC001707207143 1417245139 /nfs/dbraw/zinc/24/51/39/1417245139.db2.gz ZOUUHZQSQANOOS-KLMKZAPQSA-N 1 3 343.515 3.011 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CCN1C/C=C\c1ccccc1 ZINC001707207143 1417245142 /nfs/dbraw/zinc/24/51/42/1417245142.db2.gz ZOUUHZQSQANOOS-KLMKZAPQSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001707239506 1417259561 /nfs/dbraw/zinc/25/95/61/1417259561.db2.gz QJPQQYDPUXVXLG-SFHVURJKSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713102131 1417656341 /nfs/dbraw/zinc/65/63/41/1417656341.db2.gz MYMGJOYMKNUCJT-QZTJIDSGSA-N 1 3 349.563 3.362 10 0 EGAEHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001713179678 1417753512 /nfs/dbraw/zinc/75/35/12/1417753512.db2.gz PFKGYLZSHFMIFK-IPQPSQTFSA-N 1 3 349.563 3.120 10 0 EGAEHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001713179678 1417753515 /nfs/dbraw/zinc/75/35/15/1417753515.db2.gz PFKGYLZSHFMIFK-IPQPSQTFSA-N 1 3 349.563 3.120 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181088 1417755175 /nfs/dbraw/zinc/75/51/75/1417755175.db2.gz DEUOXDOCFATPNW-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181088 1417755178 /nfs/dbraw/zinc/75/51/78/1417755178.db2.gz DEUOXDOCFATPNW-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001713259636 1417867346 /nfs/dbraw/zinc/86/73/46/1417867346.db2.gz XNAJLTNYTUECIY-LJQANCHMSA-N 1 3 335.536 3.189 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001713417351 1418040538 /nfs/dbraw/zinc/04/05/38/1418040538.db2.gz OQHLWCABDUQZID-WHJOBHEISA-N 1 3 341.515 3.040 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001713492975 1418194228 /nfs/dbraw/zinc/19/42/28/1418194228.db2.gz RPQVNUDHVJYVKP-IEBWSBKVSA-N 1 3 345.531 3.144 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001713492975 1418194231 /nfs/dbraw/zinc/19/42/31/1418194231.db2.gz RPQVNUDHVJYVKP-IEBWSBKVSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713683996 1418437148 /nfs/dbraw/zinc/43/71/48/1418437148.db2.gz GNYUAGXMNSHGBP-ROUUACIJSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)C[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001713705436 1418465484 /nfs/dbraw/zinc/46/54/84/1418465484.db2.gz YSIFZVBRFLLNDO-ICSRJNTNSA-N 1 3 345.531 3.354 10 0 EGAEHO CC/C=C\CCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804928 1418617801 /nfs/dbraw/zinc/61/78/01/1418617801.db2.gz UENRHNCUKVTCMU-DSQZMVHQSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001714043782 1418835474 /nfs/dbraw/zinc/83/54/74/1418835474.db2.gz ZAZZVAPWKJHATP-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001714043782 1418835476 /nfs/dbraw/zinc/83/54/76/1418835476.db2.gz ZAZZVAPWKJHATP-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001714152677 1418959662 /nfs/dbraw/zinc/95/96/62/1418959662.db2.gz YGAQQMDLIOQORM-SFHVURJKSA-N 1 3 345.531 3.415 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C2CC2)cc1C ZINC001714179096 1418987320 /nfs/dbraw/zinc/98/73/20/1418987320.db2.gz YRRXHXMHXWQCHA-NRFANRHFSA-N 1 3 345.531 3.018 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001714210306 1419010364 /nfs/dbraw/zinc/01/03/64/1419010364.db2.gz LUVOTNRPTYYBRP-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001714455162 1419187689 /nfs/dbraw/zinc/18/76/89/1419187689.db2.gz VJMGHRMNJMPYFC-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001714455162 1419187690 /nfs/dbraw/zinc/18/76/90/1419187690.db2.gz VJMGHRMNJMPYFC-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714754475 1419495061 /nfs/dbraw/zinc/49/50/61/1419495061.db2.gz YFZUSIQDQWMQRJ-QFBILLFUSA-N 1 3 343.531 3.216 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714921856 1419674340 /nfs/dbraw/zinc/67/43/40/1419674340.db2.gz XZUZHIAMWBLEDD-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001714921856 1419674342 /nfs/dbraw/zinc/67/43/42/1419674342.db2.gz XZUZHIAMWBLEDD-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCCC(C)(C)C ZINC001715066241 1419803158 /nfs/dbraw/zinc/80/31/58/1419803158.db2.gz FNIWRKAGKNXGCG-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001715184023 1419916986 /nfs/dbraw/zinc/91/69/86/1419916986.db2.gz RIXAAFKMLLWQAP-WGSAOQKQSA-N 1 3 347.547 3.378 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001715191423 1419923504 /nfs/dbraw/zinc/92/35/04/1419923504.db2.gz OGJALTHEPCFBNC-ATZDWAIDSA-N 1 3 349.494 3.244 10 0 EGAEHO CCN(CC[NH2+]CC[C@@H]1CCC[C@@H](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001715737841 1420319383 /nfs/dbraw/zinc/31/93/83/1420319383.db2.gz JKYSXGVCGOYEOO-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001715911572 1420394030 /nfs/dbraw/zinc/39/40/30/1420394030.db2.gz ICPAFHIXJJAXPL-NFAHFFEMSA-N 1 3 337.895 3.003 10 0 EGAEHO Cc1cc(C)c(C[NH2+]CC[C@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001716146797 1420541687 /nfs/dbraw/zinc/54/16/87/1420541687.db2.gz ZEKSCEMMAQKQGK-SFHVURJKSA-N 1 3 345.531 3.081 10 0 EGAEHO C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001716174371 1420551727 /nfs/dbraw/zinc/55/17/27/1420551727.db2.gz QNGADFCATZBOLG-SJORKVTESA-N 1 3 337.552 3.029 10 0 EGAEHO C[C@@H]([NH2+]C/C=C/CNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001716307287 1420599637 /nfs/dbraw/zinc/59/96/37/1420599637.db2.gz WNWQEYKYNWFDRR-NHZBNJEXSA-N 1 3 349.906 3.147 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001716520589 1420749224 /nfs/dbraw/zinc/74/92/24/1420749224.db2.gz MSUANDNKVIRVTL-VQTJNVASSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717112746 1421116505 /nfs/dbraw/zinc/11/65/05/1421116505.db2.gz NHBLECAGCGKSGV-FQEVSTJZSA-N 1 3 345.531 3.263 10 0 EGAEHO CC(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001717112746 1421116506 /nfs/dbraw/zinc/11/65/06/1421116506.db2.gz NHBLECAGCGKSGV-FQEVSTJZSA-N 1 3 345.531 3.263 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001717130134 1421131013 /nfs/dbraw/zinc/13/10/13/1421131013.db2.gz LKRLUHFYSHFKJQ-SFFCAUCYSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197794 1421164369 /nfs/dbraw/zinc/16/43/69/1421164369.db2.gz FSUFUCFEAPEANH-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197794 1421164370 /nfs/dbraw/zinc/16/43/70/1421164370.db2.gz FSUFUCFEAPEANH-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001717201381 1421169312 /nfs/dbraw/zinc/16/93/12/1421169312.db2.gz AVUKHUHJQFWXON-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001717201381 1421169315 /nfs/dbraw/zinc/16/93/15/1421169315.db2.gz AVUKHUHJQFWXON-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001717278107 1421231427 /nfs/dbraw/zinc/23/14/27/1421231427.db2.gz GDACOGYNAVZZPH-AWTIPJNISA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)cc1C ZINC001717422375 1421352085 /nfs/dbraw/zinc/35/20/85/1421352085.db2.gz FPZPEDOWJSGTOF-MSOLQXFVSA-N 1 3 345.531 3.161 10 0 EGAEHO CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717582946 1421508809 /nfs/dbraw/zinc/50/88/09/1421508809.db2.gz SXARHOCTCBNWLI-KNJKRIMISA-N 1 3 337.552 3.146 10 0 EGAEHO CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717582946 1421508810 /nfs/dbraw/zinc/50/88/10/1421508810.db2.gz SXARHOCTCBNWLI-KNJKRIMISA-N 1 3 337.552 3.146 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668048 1421558500 /nfs/dbraw/zinc/55/85/00/1421558500.db2.gz RZBYASZCYLXEDA-PKOBYXMFSA-N 1 3 335.536 3.234 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695335 1421569670 /nfs/dbraw/zinc/56/96/70/1421569670.db2.gz FOHRALSDRDFOEL-SJLPKXTDSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696515 1421570588 /nfs/dbraw/zinc/57/05/88/1421570588.db2.gz VLJPVAAQIFMUMI-AZUAARDMSA-N 1 3 345.531 3.244 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C)N(C)C ZINC001717970801 1421742940 /nfs/dbraw/zinc/74/29/40/1421742940.db2.gz BQOCHNTUVPHIJW-SJORKVTESA-N 1 3 337.552 3.027 10 0 EGAEHO CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001717984244 1421756722 /nfs/dbraw/zinc/75/67/22/1421756722.db2.gz VPSGPOUOPGTWSR-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](c1ccccc1)[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001718028716 1421782151 /nfs/dbraw/zinc/78/21/51/1421782151.db2.gz SUMIQEUMCQQKTJ-UXHICEINSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[C@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001718028716 1421782152 /nfs/dbraw/zinc/78/21/52/1421782152.db2.gz SUMIQEUMCQQKTJ-UXHICEINSA-N 1 3 343.515 3.226 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001718033514 1421785542 /nfs/dbraw/zinc/78/55/42/1421785542.db2.gz MLIUEYOVVMYWTD-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001718033514 1421785544 /nfs/dbraw/zinc/78/55/44/1421785544.db2.gz MLIUEYOVVMYWTD-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CCC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)C1CCCCCC1 ZINC001723640841 1424507425 /nfs/dbraw/zinc/50/74/25/1424507425.db2.gz SRETZTWYTTXQAT-QZTJIDSGSA-N 1 3 337.552 3.410 10 0 EGAEHO CCC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@H]1C)C1CCCCCC1 ZINC001723640841 1424507429 /nfs/dbraw/zinc/50/74/29/1424507429.db2.gz SRETZTWYTTXQAT-QZTJIDSGSA-N 1 3 337.552 3.410 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001724532033 1424896426 /nfs/dbraw/zinc/89/64/26/1424896426.db2.gz MYBDZYLLXOPAKK-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001724753127 1425123783 /nfs/dbraw/zinc/12/37/83/1425123783.db2.gz YFVKBZXTZNEWDM-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001724886910 1425271826 /nfs/dbraw/zinc/27/18/26/1425271826.db2.gz OROSNTPNBJGFEM-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001724980249 1425380985 /nfs/dbraw/zinc/38/09/85/1425380985.db2.gz SDXXXCBSAVPPTQ-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C1 ZINC001724980249 1425380992 /nfs/dbraw/zinc/38/09/92/1425380992.db2.gz SDXXXCBSAVPPTQ-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001725094458 1425537534 /nfs/dbraw/zinc/53/75/34/1425537534.db2.gz PDEFTGXFWRJKRE-CVEARBPZSA-N 1 3 343.515 3.031 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247369 1425866579 /nfs/dbraw/zinc/86/65/79/1425866579.db2.gz IMUFGYQUHDZQRW-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471842 1426143319 /nfs/dbraw/zinc/14/33/19/1426143319.db2.gz JWVICTSVZQFUEV-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)Cc1ccc(C)cc1)C(C)C)N(C)C ZINC001725729020 1426396313 /nfs/dbraw/zinc/39/63/13/1426396313.db2.gz XYHSYWNILUNZLC-LJQANCHMSA-N 1 3 333.520 3.004 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)Cc1ccc(C)cc1)C(C)C)N(C)C ZINC001725729020 1426396319 /nfs/dbraw/zinc/39/63/19/1426396319.db2.gz XYHSYWNILUNZLC-LJQANCHMSA-N 1 3 333.520 3.004 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001725764310 1426446480 /nfs/dbraw/zinc/44/64/80/1426446480.db2.gz SZVBQDLQQNDAOE-GOSISDBHSA-N 1 3 345.531 3.054 10 0 EGAEHO CCCCCC[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001725793251 1426478581 /nfs/dbraw/zinc/47/85/81/1426478581.db2.gz CFKKRUIXBPSMEG-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731318046 1427258756 /nfs/dbraw/zinc/25/87/56/1427258756.db2.gz XJKZRQMGCVIDER-IAGOWNOFSA-N 1 3 349.494 3.057 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731318046 1427258758 /nfs/dbraw/zinc/25/87/58/1427258758.db2.gz XJKZRQMGCVIDER-IAGOWNOFSA-N 1 3 349.494 3.057 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544551 1427561005 /nfs/dbraw/zinc/56/10/05/1427561005.db2.gz WFFCNFYARQTHPK-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544551 1427561008 /nfs/dbraw/zinc/56/10/08/1427561008.db2.gz WFFCNFYARQTHPK-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001731565432 1427604658 /nfs/dbraw/zinc/60/46/58/1427604658.db2.gz KXQYEPGIUQQKAV-GKLZWNAASA-N 1 3 347.547 3.042 10 0 EGAEHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001731565432 1427604662 /nfs/dbraw/zinc/60/46/62/1427604662.db2.gz KXQYEPGIUQQKAV-GKLZWNAASA-N 1 3 347.547 3.042 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001731754887 1427853551 /nfs/dbraw/zinc/85/35/51/1427853551.db2.gz DVUZSVRBAIGESE-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001731754887 1427853555 /nfs/dbraw/zinc/85/35/55/1427853555.db2.gz DVUZSVRBAIGESE-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001733813891 1430093874 /nfs/dbraw/zinc/09/38/74/1430093874.db2.gz RSILPLIVSMPPJB-NRFANRHFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001733813891 1430093878 /nfs/dbraw/zinc/09/38/78/1430093878.db2.gz RSILPLIVSMPPJB-NRFANRHFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001734034229 1437822288 /nfs/dbraw/zinc/82/22/88/1437822288.db2.gz ICQCELFABLALJU-PKOBYXMFSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001734034229 1437822290 /nfs/dbraw/zinc/82/22/90/1437822290.db2.gz ICQCELFABLALJU-PKOBYXMFSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2C1 ZINC001734194668 1437935502 /nfs/dbraw/zinc/93/55/02/1437935502.db2.gz UENFPZDYPYWNER-XUVXKRRUSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C1 ZINC001734194668 1437935504 /nfs/dbraw/zinc/93/55/04/1437935504.db2.gz UENFPZDYPYWNER-XUVXKRRUSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001734215169 1437945888 /nfs/dbraw/zinc/94/58/88/1437945888.db2.gz NFPMYMPXGJDWNU-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC/C=C\c2ccccc2)C[C@@H]1C ZINC001734427067 1438092385 /nfs/dbraw/zinc/09/23/85/1438092385.db2.gz OBYVZXVEMOKMST-TYLQSNEBSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC001734575106 1438168573 /nfs/dbraw/zinc/16/85/73/1438168573.db2.gz GMMLPTWVMLQWTB-QHSLDKKCSA-N 1 3 345.531 3.161 10 0 EGAEHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000171746299 529865849 /nfs/dbraw/zinc/86/58/49/529865849.db2.gz OWAYXHIPBGSYPJ-LEWJYISDSA-N 1 3 328.500 3.473 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000171746299 529865850 /nfs/dbraw/zinc/86/58/50/529865850.db2.gz OWAYXHIPBGSYPJ-LEWJYISDSA-N 1 3 328.500 3.473 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000131377862 223227377 /nfs/dbraw/zinc/22/73/77/223227377.db2.gz KSFPVKJRYKPXLA-INIZCTEOSA-N 1 3 333.545 3.154 10 0 EGAEHO CCCCN1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000242191262 243011543 /nfs/dbraw/zinc/01/15/43/243011543.db2.gz XEDNBZSHQADMMQ-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCN1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000242191262 243011549 /nfs/dbraw/zinc/01/15/49/243011549.db2.gz XEDNBZSHQADMMQ-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO C[C@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377714110 169067666 /nfs/dbraw/zinc/06/76/66/169067666.db2.gz FAGZDKFYSZZYCB-VMSMKEMKSA-N 1 3 341.543 3.423 10 0 EGAEHO C[C@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000377714110 169067668 /nfs/dbraw/zinc/06/76/68/169067668.db2.gz FAGZDKFYSZZYCB-VMSMKEMKSA-N 1 3 341.543 3.423 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000119755551 152225633 /nfs/dbraw/zinc/22/56/33/152225633.db2.gz ZDBQHXZLGVMVEX-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000119755551 152225636 /nfs/dbraw/zinc/22/56/36/152225636.db2.gz ZDBQHXZLGVMVEX-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000341557340 155351452 /nfs/dbraw/zinc/35/14/52/155351452.db2.gz DFDZJNHFYSOAFG-ROUUACIJSA-N 1 3 349.544 3.002 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000341557340 155351457 /nfs/dbraw/zinc/35/14/57/155351457.db2.gz DFDZJNHFYSOAFG-ROUUACIJSA-N 1 3 349.544 3.002 10 0 EGAEHO CCCn1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000310280870 154143108 /nfs/dbraw/zinc/14/31/08/154143108.db2.gz WKKFEZBHTQYPMM-XLIONFOSSA-N 1 3 326.488 3.293 10 0 EGAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000355598385 166256506 /nfs/dbraw/zinc/25/65/06/166256506.db2.gz JGZJVKUIFPJWBU-ZHALLVOQSA-N 1 3 348.535 3.016 10 0 EGAEHO C[C@H]1C[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000123585188 222300523 /nfs/dbraw/zinc/30/05/23/222300523.db2.gz JVIPZSHWQYRNLS-RDJZCZTQSA-N 1 3 328.460 3.084 10 0 EGAEHO C[C@H]1C[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123585188 222300525 /nfs/dbraw/zinc/30/05/25/222300525.db2.gz JVIPZSHWQYRNLS-RDJZCZTQSA-N 1 3 328.460 3.084 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc(F)cc1 ZINC000278452131 268016313 /nfs/dbraw/zinc/01/63/13/268016313.db2.gz LPQMBZWPXBBFSD-DQLDELGASA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccc(F)cc1 ZINC000278452131 268016317 /nfs/dbraw/zinc/01/63/17/268016317.db2.gz LPQMBZWPXBBFSD-DQLDELGASA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000279767421 275357641 /nfs/dbraw/zinc/35/76/41/275357641.db2.gz SDHYVHLLOQGLCH-HBGVWJBISA-N 1 3 326.484 3.158 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000279767421 275357643 /nfs/dbraw/zinc/35/76/43/275357643.db2.gz SDHYVHLLOQGLCH-HBGVWJBISA-N 1 3 326.484 3.158 10 0 EGAEHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)c2ccc(F)cc2C1 ZINC000184522841 278052227 /nfs/dbraw/zinc/05/22/27/278052227.db2.gz UZHSYCBLWOPBIU-HXUWFJFHSA-N 1 3 347.478 3.081 10 0 EGAEHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562109 278344678 /nfs/dbraw/zinc/34/46/78/278344678.db2.gz TZEGYJBNWOOEFH-IAGOWNOFSA-N 1 3 339.524 3.240 10 0 EGAEHO C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562109 278344679 /nfs/dbraw/zinc/34/46/79/278344679.db2.gz TZEGYJBNWOOEFH-IAGOWNOFSA-N 1 3 339.524 3.240 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200478 309066533 /nfs/dbraw/zinc/06/65/33/309066533.db2.gz XWQFULUZPHVDEK-GJZGRUSLSA-N 1 3 347.894 3.303 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200478 309066534 /nfs/dbraw/zinc/06/65/34/309066534.db2.gz XWQFULUZPHVDEK-GJZGRUSLSA-N 1 3 347.894 3.303 10 0 EGAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000414294312 309071183 /nfs/dbraw/zinc/07/11/83/309071183.db2.gz BYAUMIFGFLJUAK-HXUWFJFHSA-N 1 3 339.483 3.149 10 0 EGAEHO C[C@H](Cc1ccccc1)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000248537618 308005243 /nfs/dbraw/zinc/00/52/43/308005243.db2.gz AABXUNXETWZRNG-HKBOAZHASA-N 1 3 343.559 3.356 10 0 EGAEHO CCCCOC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248638824 308008037 /nfs/dbraw/zinc/00/80/37/308008037.db2.gz BDYWUGZZJMLZQY-UYAOXDASSA-N 1 3 340.552 3.141 10 0 EGAEHO CCCCOC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000248638824 308008039 /nfs/dbraw/zinc/00/80/39/308008039.db2.gz BDYWUGZZJMLZQY-UYAOXDASSA-N 1 3 340.552 3.141 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414817792 309103451 /nfs/dbraw/zinc/10/34/51/309103451.db2.gz BSSWOKREZWDFQG-IPYPFGDCSA-N 1 3 325.294 3.358 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414822596 309103877 /nfs/dbraw/zinc/10/38/77/309103877.db2.gz NDZLKSWBGYSJHF-BZPMIXESSA-N 1 3 343.284 3.497 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414822596 309103878 /nfs/dbraw/zinc/10/38/78/309103878.db2.gz NDZLKSWBGYSJHF-BZPMIXESSA-N 1 3 343.284 3.497 10 0 EGAEHO Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)[C@H](C)N)cc3)nc12 ZINC000415017036 309114589 /nfs/dbraw/zinc/11/45/89/309114589.db2.gz PDVFLCDKUDTMFI-JKSUJKDBSA-N 1 3 338.455 3.047 10 0 EGAEHO CC(C)C[C@H]([NH3+])CN[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076570 309118421 /nfs/dbraw/zinc/11/84/21/309118421.db2.gz CVZGVYCJRIRETL-YPMHNXCESA-N 1 3 331.273 3.482 10 0 EGAEHO COc1ccccc1N1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415074506 309118507 /nfs/dbraw/zinc/11/85/07/309118507.db2.gz AHJWTQCFRSZJQC-GBESFXJTSA-N 1 3 343.515 3.174 10 0 EGAEHO CC(C)C[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076569 309118558 /nfs/dbraw/zinc/11/85/58/309118558.db2.gz CVZGVYCJRIRETL-WCQYABFASA-N 1 3 331.273 3.482 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@H](N)CC(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415120479 309121720 /nfs/dbraw/zinc/12/17/20/309121720.db2.gz YFLNPEKBYHRWCV-SKDZVZGDSA-N 1 3 343.437 3.202 10 0 EGAEHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000415897183 309146677 /nfs/dbraw/zinc/14/66/77/309146677.db2.gz FKRWIZXAPAIYLG-UHFFFAOYSA-N 1 3 346.500 3.063 10 0 EGAEHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000415908895 309147688 /nfs/dbraw/zinc/14/76/88/309147688.db2.gz FBPXARYROQMLBP-UHFFFAOYSA-N 1 3 344.503 3.134 10 0 EGAEHO CN(C(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416335904 309169269 /nfs/dbraw/zinc/16/92/69/309169269.db2.gz XIAKSCFTTHZGNU-UHFFFAOYSA-N 1 3 343.515 3.229 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(OC)CC2)CC1 ZINC000419784503 309272045 /nfs/dbraw/zinc/27/20/45/309272045.db2.gz QTWJWAXQZOMYGM-UHFFFAOYSA-N 1 3 345.531 3.266 10 0 EGAEHO COCc1cccc(OCC2(CN3CC[C@H](C)[C@@H](C[NH3+])C3)CCC2)c1 ZINC000420406373 309286733 /nfs/dbraw/zinc/28/67/33/309286733.db2.gz NUVWQHJXUYRTON-HKUYNNGSSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@@H+]3CC[C@H](C)[C@@H](CN)C3)CCC2)c1 ZINC000420406373 309286734 /nfs/dbraw/zinc/28/67/34/309286734.db2.gz NUVWQHJXUYRTON-HKUYNNGSSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@H+]3CC[C@H](C)[C@@H](CN)C3)CCC2)c1 ZINC000420406373 309286735 /nfs/dbraw/zinc/28/67/35/309286735.db2.gz NUVWQHJXUYRTON-HKUYNNGSSA-N 1 3 346.515 3.299 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707015 309364058 /nfs/dbraw/zinc/36/40/58/309364058.db2.gz GLMCYCNKRNPIGE-IYWMVGAKSA-N 1 3 333.495 3.329 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777048 309367679 /nfs/dbraw/zinc/36/76/79/309367679.db2.gz DXYPBOPGYOWHGJ-UONOGXRCSA-N 1 3 341.455 3.249 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940556 309377342 /nfs/dbraw/zinc/37/73/42/309377342.db2.gz GZOFEARZKAAFAW-QUCCMNQESA-N 1 3 346.446 3.267 10 0 EGAEHO CCCC(O)(CCC)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974386 309379121 /nfs/dbraw/zinc/37/91/21/309379121.db2.gz DWJQSTOJEGSMPV-YLJYHZDGSA-N 1 3 332.488 3.163 10 0 EGAEHO COc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422985120 309379436 /nfs/dbraw/zinc/37/94/36/309379436.db2.gz CEVAAQOCLINHGG-VAMGGRTRSA-N 1 3 332.488 3.112 10 0 EGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423276929 309393533 /nfs/dbraw/zinc/39/35/33/309393533.db2.gz NPQDGOPZYPZXQW-ALGQRKQJSA-N 1 3 327.516 3.289 10 0 EGAEHO CCN1CCC[C@@H](C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449108863 310037631 /nfs/dbraw/zinc/03/76/31/310037631.db2.gz WJQMVXXNTFGYBD-FPOVZHCZSA-N 1 3 343.559 3.404 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@]2(O)CCSC2)CC1 ZINC000449192050 310043442 /nfs/dbraw/zinc/04/34/42/310043442.db2.gz XVASNXCVEBEQJE-GOSISDBHSA-N 1 3 328.566 3.123 10 0 EGAEHO COC(=O)C(C)(C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449316872 310053051 /nfs/dbraw/zinc/05/30/51/310053051.db2.gz QNTOKFVSZWWNKF-QGZVFWFLSA-N 1 3 346.515 3.261 10 0 EGAEHO COC[C@](C)(O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449383370 310057886 /nfs/dbraw/zinc/05/78/86/310057886.db2.gz GUBRVGICJDVWBM-LJQANCHMSA-N 1 3 328.541 3.043 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CC1(C)C ZINC000487305168 311019834 /nfs/dbraw/zinc/01/98/34/311019834.db2.gz MJCLYWPATKPHEU-LPHOPBHVSA-N 1 3 343.515 3.036 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000514100013 312224899 /nfs/dbraw/zinc/22/48/99/312224899.db2.gz SLYZNDFORUJPJP-SLFFLAALSA-N 1 3 342.531 3.424 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000514100013 312224901 /nfs/dbraw/zinc/22/49/01/312224901.db2.gz SLYZNDFORUJPJP-SLFFLAALSA-N 1 3 342.531 3.424 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000514100013 312224903 /nfs/dbraw/zinc/22/49/03/312224903.db2.gz SLYZNDFORUJPJP-SLFFLAALSA-N 1 3 342.531 3.424 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)[C@H]2CCC[C@@H]21 ZINC000552046659 315192888 /nfs/dbraw/zinc/19/28/88/315192888.db2.gz NPLUJWODINLAME-RNQOJCNYSA-N 1 3 347.572 3.423 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)[C@@H]2CCC[C@@H]21 ZINC000552046657 315193133 /nfs/dbraw/zinc/19/31/33/315193133.db2.gz NPLUJWODINLAME-LEAZDLGRSA-N 1 3 347.572 3.423 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)[C@@H]2CCC[C@H]21 ZINC000552046656 315193395 /nfs/dbraw/zinc/19/33/95/315193395.db2.gz NPLUJWODINLAME-FRYIKTPZSA-N 1 3 347.572 3.423 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247433 315209144 /nfs/dbraw/zinc/20/91/44/315209144.db2.gz OXROUGZCGHYPDB-ZSYWTGECSA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247433 315209148 /nfs/dbraw/zinc/20/91/48/315209148.db2.gz OXROUGZCGHYPDB-ZSYWTGECSA-N 1 3 335.923 3.405 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247433 315209151 /nfs/dbraw/zinc/20/91/51/315209151.db2.gz OXROUGZCGHYPDB-ZSYWTGECSA-N 1 3 335.923 3.405 10 0 EGAEHO OC1(C[NH2+]Cc2cccc3cc[nH]c32)CCN(Cc2ccccc2)CC1 ZINC000397530552 324294825 /nfs/dbraw/zinc/29/48/25/324294825.db2.gz HIDJKAKPRTTZIP-UHFFFAOYSA-N 1 3 349.478 3.285 10 0 EGAEHO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000579462251 325113078 /nfs/dbraw/zinc/11/30/78/325113078.db2.gz WWRJRJJUZFYYOB-CBQXQHFASA-N 1 3 342.531 3.190 10 0 EGAEHO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000579462252 325113112 /nfs/dbraw/zinc/11/31/12/325113112.db2.gz WWRJRJJUZFYYOB-LWJCUCHCSA-N 1 3 342.531 3.190 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1(C)C ZINC000623507239 460587286 /nfs/dbraw/zinc/58/72/86/460587286.db2.gz AGCDZRCDGVHZHU-IRFCIJBXSA-N 1 3 348.506 3.362 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1(C)C ZINC000623507239 460587291 /nfs/dbraw/zinc/58/72/91/460587291.db2.gz AGCDZRCDGVHZHU-IRFCIJBXSA-N 1 3 348.506 3.362 10 0 EGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000067389309 453928197 /nfs/dbraw/zinc/92/81/97/453928197.db2.gz AWBZDIYHPRGINT-QGZVFWFLSA-N 1 3 348.535 3.010 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1(C)C ZINC000623575132 460621406 /nfs/dbraw/zinc/62/14/06/460621406.db2.gz LWLQTEQFFRWHFM-WOJBJXKFSA-N 1 3 346.515 3.345 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000130550285 454205280 /nfs/dbraw/zinc/20/52/80/454205280.db2.gz JNDCKNAJFRYEGU-SFHVURJKSA-N 1 3 333.545 3.156 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000130550285 454205284 /nfs/dbraw/zinc/20/52/84/454205284.db2.gz JNDCKNAJFRYEGU-SFHVURJKSA-N 1 3 333.545 3.156 10 0 EGAEHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1 ZINC000103482395 454559860 /nfs/dbraw/zinc/55/98/60/454559860.db2.gz GIOZZWMMZUSYOG-UHFFFAOYSA-N 1 3 349.906 3.476 10 0 EGAEHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000122769790 454568352 /nfs/dbraw/zinc/56/83/52/454568352.db2.gz WPARYTRIURCZSH-OAHLLOKOSA-N 1 3 347.503 3.426 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000052209205 454661606 /nfs/dbraw/zinc/66/16/06/454661606.db2.gz DYCOCBGTDSZOLU-FQEVSTJZSA-N 1 3 348.531 3.179 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000052209205 454661612 /nfs/dbraw/zinc/66/16/12/454661612.db2.gz DYCOCBGTDSZOLU-FQEVSTJZSA-N 1 3 348.531 3.179 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111684410 454871465 /nfs/dbraw/zinc/87/14/65/454871465.db2.gz HZBWPWXKROOQPF-UHFFFAOYSA-N 1 3 341.499 3.472 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111684410 454871470 /nfs/dbraw/zinc/87/14/70/454871470.db2.gz HZBWPWXKROOQPF-UHFFFAOYSA-N 1 3 341.499 3.472 10 0 EGAEHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000180137671 455138355 /nfs/dbraw/zinc/13/83/55/455138355.db2.gz OLNOIBMFDIAPQZ-BPIHKTFHSA-N 1 3 343.515 3.075 10 0 EGAEHO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192799988 455695931 /nfs/dbraw/zinc/69/59/31/455695931.db2.gz SWYGLVNCQYQRHX-QGZVFWFLSA-N 1 3 349.567 3.013 10 0 EGAEHO C[NH+](C)CCN1CCC(Nc2ccnc3ccc(Cl)cc32)CC1 ZINC000301299025 456084545 /nfs/dbraw/zinc/08/45/45/456084545.db2.gz UDJBYRQNKZDDQT-UHFFFAOYSA-N 1 3 332.879 3.326 10 0 EGAEHO CCO[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000298283264 456414035 /nfs/dbraw/zinc/41/40/35/456414035.db2.gz GYFUZBBRPMFKIV-QRVBRYPASA-N 1 3 334.529 3.281 10 0 EGAEHO C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340450144 456468898 /nfs/dbraw/zinc/46/88/98/456468898.db2.gz GSKPAFLOBGTTKL-FCEWJHQRSA-N 1 3 325.456 3.348 10 0 EGAEHO C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340450144 456468906 /nfs/dbraw/zinc/46/89/06/456468906.db2.gz GSKPAFLOBGTTKL-FCEWJHQRSA-N 1 3 325.456 3.348 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CCN1C ZINC000658320037 462477135 /nfs/dbraw/zinc/47/71/35/462477135.db2.gz MLZCUWRJMQQBQT-GIVPXCGWSA-N 1 3 341.543 3.361 10 0 EGAEHO CCN1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000658320224 462477269 /nfs/dbraw/zinc/47/72/69/462477269.db2.gz SGAKPMYYDREURE-FQEVSTJZSA-N 1 3 341.543 3.363 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353633255 456816995 /nfs/dbraw/zinc/81/69/95/456816995.db2.gz VXNKITAMZGOTBM-VQTJNVASSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353633255 456816999 /nfs/dbraw/zinc/81/69/99/456816999.db2.gz VXNKITAMZGOTBM-VQTJNVASSA-N 1 3 343.515 3.032 10 0 EGAEHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000349713912 457023915 /nfs/dbraw/zinc/02/39/15/457023915.db2.gz BUQPIKZJYOUUIV-LJQANCHMSA-N 1 3 334.504 3.465 10 0 EGAEHO c1ccc(CN(CCC[NH2+]C2CCNCC2)Cc2ccccc2)cc1 ZINC000390602406 457440127 /nfs/dbraw/zinc/44/01/27/457440127.db2.gz YNCZIADZZIPTEI-UHFFFAOYSA-N 1 3 337.511 3.421 10 0 EGAEHO CS[C@H]1CC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000425355848 457516315 /nfs/dbraw/zinc/51/63/15/457516315.db2.gz LRXQWKKFTGAAGX-PMACEKPBSA-N 1 3 347.572 3.381 10 0 EGAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C)N(C)C ZINC000357845532 457708926 /nfs/dbraw/zinc/70/89/26/457708926.db2.gz DOACOQRDWSXDBQ-OPYAIIAOSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C)N(C)C ZINC000357845532 457708927 /nfs/dbraw/zinc/70/89/27/457708927.db2.gz DOACOQRDWSXDBQ-OPYAIIAOSA-N 1 3 345.531 3.367 10 0 EGAEHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300674 457920632 /nfs/dbraw/zinc/92/06/32/457920632.db2.gz NVHPZGZCUVNRSC-XKQJLSEDSA-N 1 3 334.529 3.265 10 0 EGAEHO COc1ccc(C[C@H]([NH2+][C@@H](C)[C@@H](C)N)c2ccc(OC)cc2)cc1 ZINC000423435386 458432674 /nfs/dbraw/zinc/43/26/74/458432674.db2.gz DRRRYGLGBIUGDP-SIFCLUCFSA-N 1 3 328.456 3.313 10 0 EGAEHO COCCC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(Br)cc1 ZINC000423453489 458435840 /nfs/dbraw/zinc/43/58/40/458435840.db2.gz XSOJJVNIQNINPF-XUJVJEKNSA-N 1 3 329.282 3.242 10 0 EGAEHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423521677 458451499 /nfs/dbraw/zinc/45/14/99/458451499.db2.gz GLCKDLHMCKNUSZ-XJDHANQYSA-N 1 3 341.499 3.147 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459790884 458480257 /nfs/dbraw/zinc/48/02/57/458480257.db2.gz HPMXSBFPGZFEOZ-XSLAGTTESA-N 1 3 332.538 3.066 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459790884 458480259 /nfs/dbraw/zinc/48/02/59/458480259.db2.gz HPMXSBFPGZFEOZ-XSLAGTTESA-N 1 3 332.538 3.066 10 0 EGAEHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475146833 458924474 /nfs/dbraw/zinc/92/44/74/458924474.db2.gz ZEYAYXWNMMXKKR-XUVXKRRUSA-N 1 3 345.531 3.210 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCCC1 ZINC000480161537 459185425 /nfs/dbraw/zinc/18/54/25/459185425.db2.gz RYAUGVPTRPJUNQ-PZJWPPBQSA-N 1 3 329.532 3.363 10 0 EGAEHO CCc1ccc(CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000533864747 459274857 /nfs/dbraw/zinc/27/48/57/459274857.db2.gz ARVCREDCUSEAEM-CBQGHPETSA-N 1 3 341.543 3.034 10 0 EGAEHO CCc1ccc(CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000533864747 459274862 /nfs/dbraw/zinc/27/48/62/459274862.db2.gz ARVCREDCUSEAEM-CBQGHPETSA-N 1 3 341.543 3.034 10 0 EGAEHO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000560540403 459369008 /nfs/dbraw/zinc/36/90/08/459369008.db2.gz WHVMOTIXQDNNKH-VAMGGRTRSA-N 1 3 346.515 3.373 10 0 EGAEHO CC(C)[N@H+](C)CC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000525977329 459524590 /nfs/dbraw/zinc/52/45/90/459524590.db2.gz GNINASYISNYXFK-UHFFFAOYSA-N 1 3 347.528 3.152 10 0 EGAEHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000525977329 459524595 /nfs/dbraw/zinc/52/45/95/459524595.db2.gz GNINASYISNYXFK-UHFFFAOYSA-N 1 3 347.528 3.152 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000569940866 459535837 /nfs/dbraw/zinc/53/58/37/459535837.db2.gz IYBIOPXDJIMBTO-URLYELCFSA-N 1 3 341.421 3.099 10 0 EGAEHO CCOC(=O)C1([C@H](C)NC2(c3ccccc3F)CCC2)CC[NH2+]CC1 ZINC000592470816 459608697 /nfs/dbraw/zinc/60/86/97/459608697.db2.gz JVWMPZRLRJTORI-HNNXBMFYSA-N 1 3 348.462 3.116 10 0 EGAEHO Cn1ccnc1C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435423 460547925 /nfs/dbraw/zinc/54/79/25/460547925.db2.gz DOSLMWMRBDIZGJ-QZTJIDSGSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435423 460547931 /nfs/dbraw/zinc/54/79/31/460547931.db2.gz DOSLMWMRBDIZGJ-QZTJIDSGSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623435423 460547936 /nfs/dbraw/zinc/54/79/36/460547936.db2.gz DOSLMWMRBDIZGJ-QZTJIDSGSA-N 1 3 326.488 3.166 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCOCC2)c2cccc(Br)c21 ZINC000629519608 460793122 /nfs/dbraw/zinc/79/31/22/460793122.db2.gz BVULYQBBDGNMIM-RISCZKNCSA-N 1 3 339.277 3.095 10 0 EGAEHO C[C@H](CCc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCOCC1 ZINC000629521288 460794647 /nfs/dbraw/zinc/79/46/47/460794647.db2.gz PINOFTLTWYWUEX-CYBMUJFWSA-N 1 3 330.394 3.124 10 0 EGAEHO NC1(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CCOCC1 ZINC000629525433 460795983 /nfs/dbraw/zinc/79/59/83/460795983.db2.gz UPLYQPWKVNZVRH-IBGZPJMESA-N 1 3 346.421 3.346 10 0 EGAEHO [NH3+]CCCOCCN[C@H]1CCc2c1cc(Br)cc2Cl ZINC000629535429 460799957 /nfs/dbraw/zinc/79/99/57/460799957.db2.gz CNNHVSADQFIONE-AWEZNQCLSA-N 1 3 347.684 3.045 10 0 EGAEHO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1 ZINC000629702353 460875080 /nfs/dbraw/zinc/87/50/80/460875080.db2.gz LXYSSUSYLMLGDW-QGZVFWFLSA-N 1 3 336.483 3.143 10 0 EGAEHO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1 ZINC000629702353 460875084 /nfs/dbraw/zinc/87/50/84/460875084.db2.gz LXYSSUSYLMLGDW-QGZVFWFLSA-N 1 3 336.483 3.143 10 0 EGAEHO FC(F)(F)c1ccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662251146 461143211 /nfs/dbraw/zinc/14/32/11/461143211.db2.gz ZZUWDNSERLMINZ-INIZCTEOSA-N 1 3 340.389 3.191 10 0 EGAEHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000662279533 461162475 /nfs/dbraw/zinc/16/24/75/461162475.db2.gz AAHZMUCANQRAHX-ZWKOTPCHSA-N 1 3 338.492 3.136 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H](CN[C@H]3CO[C@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713323 461392524 /nfs/dbraw/zinc/39/25/24/461392524.db2.gz MQESQTKLGUAKAU-HBMCJLEFSA-N 1 3 340.511 3.446 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H](CN[C@H]3CO[C@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713323 461392532 /nfs/dbraw/zinc/39/25/32/461392532.db2.gz MQESQTKLGUAKAU-HBMCJLEFSA-N 1 3 340.511 3.446 10 0 EGAEHO CCC1([NH+](C)C)CCN(C(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000634122923 461427349 /nfs/dbraw/zinc/42/73/49/461427349.db2.gz ACOKQHNEMHPXHG-GOSISDBHSA-N 1 3 331.504 3.012 10 0 EGAEHO CN(CCN1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)Cc1ccccc1 ZINC000659913408 461494688 /nfs/dbraw/zinc/49/46/88/461494688.db2.gz YZDSWVBMHDFASF-BHIFYINESA-N 1 3 341.543 3.172 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCCc2c(F)cccc2F)C1 ZINC000655941816 461546916 /nfs/dbraw/zinc/54/69/16/461546916.db2.gz DGXPIBPCUKSPJP-CCKFTAQKSA-N 1 3 338.442 3.258 10 0 EGAEHO c1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000638734962 461554769 /nfs/dbraw/zinc/55/47/69/461554769.db2.gz IKNPZULJVQNFAU-UHFFFAOYSA-N 1 3 345.512 3.304 10 0 EGAEHO C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660154140 461609779 /nfs/dbraw/zinc/60/97/79/461609779.db2.gz JGBDLQBAUNVOJA-NQIIRXRSSA-N 1 3 343.559 3.442 10 0 EGAEHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[C@H]1CSc2ccccc2O1 ZINC000647801263 461843036 /nfs/dbraw/zinc/84/30/36/461843036.db2.gz SZTYOCHKHBZSCK-RYQLBKOJSA-N 1 3 342.508 3.478 10 0 EGAEHO Fc1ccc(-n2cc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786497 461897847 /nfs/dbraw/zinc/89/78/47/461897847.db2.gz TWFZEAKRQRAAEJ-GOSISDBHSA-N 1 3 342.462 3.223 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OCCOC)cc1 ZINC000650758145 461939360 /nfs/dbraw/zinc/93/93/60/461939360.db2.gz KCZKEZHTTORZFP-INIZCTEOSA-N 1 3 328.456 3.282 10 0 EGAEHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)CC1CCCC1 ZINC000644545358 461979509 /nfs/dbraw/zinc/97/95/09/461979509.db2.gz LFSCOKKIQLVVMJ-LEWJYISDSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545358 461979514 /nfs/dbraw/zinc/97/95/14/461979514.db2.gz LFSCOKKIQLVVMJ-LEWJYISDSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545358 461979519 /nfs/dbraw/zinc/97/95/19/461979519.db2.gz LFSCOKKIQLVVMJ-LEWJYISDSA-N 1 3 330.516 3.082 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccnn2-c2ccncc2)C1 ZINC000657311955 462037195 /nfs/dbraw/zinc/03/71/95/462037195.db2.gz ACGHOVAROIIGMS-HDICACEKSA-N 1 3 341.503 3.115 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccnn2-c2ccncc2)C1 ZINC000657311955 462037199 /nfs/dbraw/zinc/03/71/99/462037199.db2.gz ACGHOVAROIIGMS-HDICACEKSA-N 1 3 341.503 3.115 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)C1 ZINC000657596841 462198871 /nfs/dbraw/zinc/19/88/71/462198871.db2.gz ZOAWGPANMTWEAQ-LJQANCHMSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cc(F)cc(Cl)c3)cc2)C1 ZINC000657597000 462199398 /nfs/dbraw/zinc/19/93/98/462199398.db2.gz QHXLNLJNQADKOM-IBGZPJMESA-N 1 3 348.849 3.336 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cc(F)cc(Cl)c3)cc2)C1 ZINC000657597000 462199403 /nfs/dbraw/zinc/19/94/03/462199403.db2.gz QHXLNLJNQADKOM-IBGZPJMESA-N 1 3 348.849 3.336 10 0 EGAEHO c1ccc(CN2C[C@H](C[NH2+]CC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771320 462259408 /nfs/dbraw/zinc/25/94/08/462259408.db2.gz BFTYTYOTIWLSDO-FQEVSTJZSA-N 1 3 326.484 3.225 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H](CNCC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771320 462259413 /nfs/dbraw/zinc/25/94/13/462259413.db2.gz BFTYTYOTIWLSDO-FQEVSTJZSA-N 1 3 326.484 3.225 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H](CNCC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771320 462259419 /nfs/dbraw/zinc/25/94/19/462259419.db2.gz BFTYTYOTIWLSDO-FQEVSTJZSA-N 1 3 326.484 3.225 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667788971 462263060 /nfs/dbraw/zinc/26/30/60/462263060.db2.gz AQOOUYYNJPUBIV-ICSRJNTNSA-N 1 3 332.488 3.064 10 0 EGAEHO c1ccc(N2CCN(CCCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657849244 462295490 /nfs/dbraw/zinc/29/54/90/462295490.db2.gz DTZKGMVKZFGMKU-IBGZPJMESA-N 1 3 347.572 3.464 10 0 EGAEHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1nsc2ccccc12 ZINC000665275213 462379820 /nfs/dbraw/zinc/37/98/20/462379820.db2.gz FKHRNKJQAXZHHP-KDOFPFPSSA-N 1 3 325.481 3.387 10 0 EGAEHO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658137432 462400118 /nfs/dbraw/zinc/40/01/18/462400118.db2.gz GRESMZXLXUMEIL-CRAIPNDOSA-N 1 3 330.497 3.036 10 0 EGAEHO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138886 462401603 /nfs/dbraw/zinc/40/16/03/462401603.db2.gz ORWCPFSGVFJXLW-RHSMWYFYSA-N 1 3 344.421 3.464 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142195 462404640 /nfs/dbraw/zinc/40/46/40/462404640.db2.gz VDCDQPPRVIWVFR-TZIWHRDSSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142195 462404647 /nfs/dbraw/zinc/40/46/47/462404647.db2.gz VDCDQPPRVIWVFR-TZIWHRDSSA-N 1 3 340.442 3.169 10 0 EGAEHO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658143019 462405860 /nfs/dbraw/zinc/40/58/60/462405860.db2.gz GBDGLUVGURNLMR-AVRDEDQJSA-N 1 3 338.495 3.364 10 0 EGAEHO CCN1C[C@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000652017091 462407720 /nfs/dbraw/zinc/40/77/20/462407720.db2.gz OEBBTNPVPOFRCM-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1C[C@H](C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000652017091 462407725 /nfs/dbraw/zinc/40/77/25/462407725.db2.gz OEBBTNPVPOFRCM-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658144343 462407801 /nfs/dbraw/zinc/40/78/01/462407801.db2.gz LRQADRPKIKRZPQ-YADHBBJMSA-N 1 3 338.495 3.364 10 0 EGAEHO Cc1cncc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000658262364 462446968 /nfs/dbraw/zinc/44/69/68/462446968.db2.gz QZSPUFSOXINHPG-WKCHPHFGSA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1cncc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000658262364 462446973 /nfs/dbraw/zinc/44/69/73/462446973.db2.gz QZSPUFSOXINHPG-WKCHPHFGSA-N 1 3 336.483 3.113 10 0 EGAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000646106134 462518498 /nfs/dbraw/zinc/51/84/98/462518498.db2.gz PSQLKZYOCIIILO-AABGKKOBSA-N 1 3 343.515 3.017 10 0 EGAEHO CC[NH+](CC)CCCC1CCN(Cc2cccc(C(=O)NC)c2)CC1 ZINC000182783768 547084863 /nfs/dbraw/zinc/08/48/63/547084863.db2.gz FARVWHXDQCJFPL-UHFFFAOYSA-N 1 3 345.531 3.380 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000339067058 547568753 /nfs/dbraw/zinc/56/87/53/547568753.db2.gz DXWSEZKRTLFARP-MTNOOBJLSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000339067058 547568757 /nfs/dbraw/zinc/56/87/57/547568757.db2.gz DXWSEZKRTLFARP-MTNOOBJLSA-N 1 3 333.545 3.347 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3CC(c4ccccc4)C3)cc2)C1 ZINC000658140000 548169959 /nfs/dbraw/zinc/16/99/59/548169959.db2.gz RRNWEEXHWLZZAE-HRTMPFAESA-N 1 3 336.479 3.289 10 0 EGAEHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCCN1CCN(C)CC1 ZINC000677127497 549213384 /nfs/dbraw/zinc/21/33/84/549213384.db2.gz JUHNFBGBNVPVCS-ICFOKQHNSA-N 1 3 335.923 3.361 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000682077792 550070256 /nfs/dbraw/zinc/07/02/56/550070256.db2.gz QRVXKVRLGWWPMG-NRFANRHFSA-N 1 3 327.516 3.164 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000684111495 550292409 /nfs/dbraw/zinc/29/24/09/550292409.db2.gz XSDJKAIGKLSTHZ-KRWDZBQOSA-N 1 3 333.545 3.061 10 0 EGAEHO c1cc(COc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)ccn1 ZINC000075780431 1292411118 /nfs/dbraw/zinc/41/11/18/1292411118.db2.gz ABAAIFRQHMJKGX-LJQANCHMSA-N 1 3 337.467 3.235 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CCCCCC[NH3+] ZINC000872155627 1296772353 /nfs/dbraw/zinc/77/23/53/1296772353.db2.gz WZBFNLYKQKJYTB-AWEZNQCLSA-N 1 3 325.884 3.426 10 0 EGAEHO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000397994307 1297707992 /nfs/dbraw/zinc/70/79/92/1297707992.db2.gz BJPDQNFJJMWCEY-OTYNDTSQSA-N 1 3 329.532 3.358 10 0 EGAEHO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526096 1303487369 /nfs/dbraw/zinc/48/73/69/1303487369.db2.gz FDCDPLKFHRWVAD-RQUKQETFSA-N 1 3 330.516 3.426 10 0 EGAEHO c1csc(C[N@H+]2CCC[C@H](CNCc3cn4ccnc4s3)C2)c1 ZINC000892738268 1305531274 /nfs/dbraw/zinc/53/12/74/1305531274.db2.gz UHJREQGOZKGYHL-CQSZACIVSA-N 1 3 346.525 3.459 10 0 EGAEHO c1csc(C[N@@H+]2CCC[C@H](CNCc3cn4ccnc4s3)C2)c1 ZINC000892738268 1305531277 /nfs/dbraw/zinc/53/12/77/1305531277.db2.gz UHJREQGOZKGYHL-CQSZACIVSA-N 1 3 346.525 3.459 10 0 EGAEHO CCc1[nH]c(CNCc2cccc(C[N@@H+](C)CC)c2)cc1C(=O)OC ZINC000894242102 1306298704 /nfs/dbraw/zinc/29/87/04/1306298704.db2.gz SBAOXKFOAPHWPC-UHFFFAOYSA-N 1 3 343.471 3.105 10 0 EGAEHO CCc1[nH]c(CNCc2cccc(C[N@H+](C)CC)c2)cc1C(=O)OC ZINC000894242102 1306298712 /nfs/dbraw/zinc/29/87/12/1306298712.db2.gz SBAOXKFOAPHWPC-UHFFFAOYSA-N 1 3 343.471 3.105 10 0 EGAEHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930117723 1328790135 /nfs/dbraw/zinc/79/01/35/1328790135.db2.gz WHUACIFZNTWRMO-JKSUJKDBSA-N 1 3 330.394 3.290 10 0 EGAEHO CCc1[nH]nc(Cl)c1CNCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000922316079 1322499046 /nfs/dbraw/zinc/49/90/46/1322499046.db2.gz IRHHYHOIRVAQCW-UHFFFAOYSA-N 1 3 346.906 3.379 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000924704706 1323122880 /nfs/dbraw/zinc/12/28/80/1323122880.db2.gz HKSDQXGVDMQXSN-SWLSCSKDSA-N 1 3 338.293 3.153 10 0 EGAEHO C[C@H](NCC1CCN(CC[NH+](C)C)CC1)C(F)(F)c1ccccc1 ZINC000924958467 1323227378 /nfs/dbraw/zinc/22/73/78/1323227378.db2.gz LHMQQFJJOJHLJF-INIZCTEOSA-N 1 3 339.474 3.030 10 0 EGAEHO C[C@@H]1CN(C2CC(OCc3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000931684468 1329164139 /nfs/dbraw/zinc/16/41/39/1329164139.db2.gz SQVGWNXXQFFIAW-MDMXATFFSA-N 1 3 337.467 3.340 10 0 EGAEHO COc1ccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c(OC)c1 ZINC000925513759 1325185548 /nfs/dbraw/zinc/18/55/48/1325185548.db2.gz AUKIGKMJQMZGRZ-RTBURBONSA-N 1 3 332.488 3.004 10 0 EGAEHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925620809 1325235327 /nfs/dbraw/zinc/23/53/27/1325235327.db2.gz BHEGFOAHRMQGBO-WOJBJXKFSA-N 1 3 339.483 3.271 10 0 EGAEHO CC(C)[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000925787044 1325302494 /nfs/dbraw/zinc/30/24/94/1325302494.db2.gz YTXIAQOTUAAULF-DOMZBBRYSA-N 1 3 339.386 3.065 10 0 EGAEHO COC[C@@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000925886372 1325342922 /nfs/dbraw/zinc/34/29/22/1325342922.db2.gz FQWIZMLVPVRZFH-AHRSYUTCSA-N 1 3 346.421 3.301 10 0 EGAEHO CC(C)CCN1CCC([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000926832037 1327735783 /nfs/dbraw/zinc/73/57/83/1327735783.db2.gz VKJIOKCMXMKZFR-UHFFFAOYSA-N 1 3 332.357 3.258 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)NC(=O)OC(C)(C)C ZINC000862482238 1329489974 /nfs/dbraw/zinc/48/99/74/1329489974.db2.gz FURPEANQCBQRGF-IRXDYDNUSA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@@H](CNC[C@@H]1CCCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482238 1329489976 /nfs/dbraw/zinc/48/99/76/1329489976.db2.gz FURPEANQCBQRGF-IRXDYDNUSA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@@H](CNC[C@@H]1CCCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482238 1329489979 /nfs/dbraw/zinc/48/99/79/1329489979.db2.gz FURPEANQCBQRGF-IRXDYDNUSA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)NC(=O)OC(C)(C)C ZINC000862482205 1329490336 /nfs/dbraw/zinc/49/03/36/1329490336.db2.gz FURPEANQCBQRGF-IAGOWNOFSA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@H](CNC[C@H]1CCCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482205 1329490338 /nfs/dbraw/zinc/49/03/38/1329490338.db2.gz FURPEANQCBQRGF-IAGOWNOFSA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@H](CNC[C@H]1CCCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482205 1329490340 /nfs/dbraw/zinc/49/03/40/1329490340.db2.gz FURPEANQCBQRGF-IAGOWNOFSA-N 1 3 341.540 3.247 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2cncc(C)c2)cc1 ZINC000866719711 1330144667 /nfs/dbraw/zinc/14/46/67/1330144667.db2.gz BWXXHSLNUAMZDD-UYAOXDASSA-N 1 3 325.456 3.278 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001324496027 1387649651 /nfs/dbraw/zinc/64/96/51/1387649651.db2.gz SPRNETOQMUMAPD-WMZOPIPTSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658368 1387720276 /nfs/dbraw/zinc/72/02/76/1387720276.db2.gz VIFPYXFPMNZLJF-GHTZIAJQSA-N 1 3 347.547 3.332 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658368 1387720281 /nfs/dbraw/zinc/72/02/81/1387720281.db2.gz VIFPYXFPMNZLJF-GHTZIAJQSA-N 1 3 347.547 3.332 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001324791381 1387774462 /nfs/dbraw/zinc/77/44/62/1387774462.db2.gz WBGCSSWQVHPJOY-ICSRJNTNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCCC1)C2 ZINC001325351732 1387947595 /nfs/dbraw/zinc/94/75/95/1387947595.db2.gz NQISAKKOLZYQNP-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCCC1)C2 ZINC001325351732 1387947597 /nfs/dbraw/zinc/94/75/97/1387947597.db2.gz NQISAKKOLZYQNP-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC001326470231 1388205997 /nfs/dbraw/zinc/20/59/97/1388205997.db2.gz ZGHSJOACRFDFKX-FXAWDEMLSA-N 1 3 345.531 3.484 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001266842678 1377391295 /nfs/dbraw/zinc/39/12/95/1377391295.db2.gz SDXHRFBMXVKUCL-YSKLNCTFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001266842678 1377391299 /nfs/dbraw/zinc/39/12/99/1377391299.db2.gz SDXHRFBMXVKUCL-YSKLNCTFSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC(CC)C[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267250334 1377431641 /nfs/dbraw/zinc/43/16/41/1377431641.db2.gz KJZYMUXXKVJCRN-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CCC(CC)C[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267250334 1377431643 /nfs/dbraw/zinc/43/16/43/1377431643.db2.gz KJZYMUXXKVJCRN-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001268589947 1377513662 /nfs/dbraw/zinc/51/36/62/1377513662.db2.gz AIHPRZSZIDHURA-ZEVQVBBLSA-N 1 3 345.531 3.296 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001273166337 1378090590 /nfs/dbraw/zinc/09/05/90/1378090590.db2.gz OYFYOEYYWLWQLH-QGZVFWFLSA-N 1 3 349.544 3.140 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1)N(C)C ZINC001282736385 1378586729 /nfs/dbraw/zinc/58/67/29/1378586729.db2.gz BLOIRAIEQYAPID-VQIMIIECSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001283187011 1378756443 /nfs/dbraw/zinc/75/64/43/1378756443.db2.gz RXATTWSOEREYNC-IRXDYDNUSA-N 1 3 331.504 3.106 10 0 EGAEHO CC(C)C[NH+]1CCC(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC001146821603 1378928773 /nfs/dbraw/zinc/92/87/73/1378928773.db2.gz FOTWMPAPQBLYNB-UHFFFAOYSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297484 1379685281 /nfs/dbraw/zinc/68/52/81/1379685281.db2.gz URLGYJUXLJDDOI-IRXDYDNUSA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554082 1379963146 /nfs/dbraw/zinc/96/31/46/1379963146.db2.gz YRTRIYRYIOZKTC-WOJBJXKFSA-N 1 3 345.531 3.183 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554082 1379963147 /nfs/dbraw/zinc/96/31/47/1379963147.db2.gz YRTRIYRYIOZKTC-WOJBJXKFSA-N 1 3 345.531 3.183 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001284632347 1380037337 /nfs/dbraw/zinc/03/73/37/1380037337.db2.gz RSIGZTVKJCBVQZ-INIZCTEOSA-N 1 3 327.557 3.131 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001328351689 1388727711 /nfs/dbraw/zinc/72/77/11/1388727711.db2.gz JZHVZNKZDNMEGF-ROUUACIJSA-N 1 3 345.531 3.333 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001328412429 1388740053 /nfs/dbraw/zinc/74/00/53/1388740053.db2.gz AJQKKLVCMRORDC-MSOLQXFVSA-N 1 3 345.531 3.136 10 0 EGAEHO CCCCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001328586340 1388782204 /nfs/dbraw/zinc/78/22/04/1388782204.db2.gz AKKSFIKRALJJDO-SFHVURJKSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001328586340 1388782208 /nfs/dbraw/zinc/78/22/08/1388782208.db2.gz AKKSFIKRALJJDO-SFHVURJKSA-N 1 3 337.552 3.079 10 0 EGAEHO CN1CCC[C@@H]1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001308013636 1384074060 /nfs/dbraw/zinc/07/40/60/1384074060.db2.gz ABBRUBSGIUWVON-MRXNPFEDSA-N 1 3 339.524 3.192 10 0 EGAEHO CN1CCC[C@@H]1CC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001308013636 1384074064 /nfs/dbraw/zinc/07/40/64/1384074064.db2.gz ABBRUBSGIUWVON-MRXNPFEDSA-N 1 3 339.524 3.192 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601462 1384468098 /nfs/dbraw/zinc/46/80/98/1384468098.db2.gz PWDQUSPNVGNYPW-ROUUACIJSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601462 1384468101 /nfs/dbraw/zinc/46/81/01/1384468101.db2.gz PWDQUSPNVGNYPW-ROUUACIJSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1cc(C)ccc1C ZINC001316603872 1384471864 /nfs/dbraw/zinc/47/18/64/1384471864.db2.gz CIQLDDOXNGLTOT-OALUTQOASA-N 1 3 345.531 3.239 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1cc(C)ccc1C ZINC001316603872 1384471865 /nfs/dbraw/zinc/47/18/65/1384471865.db2.gz CIQLDDOXNGLTOT-OALUTQOASA-N 1 3 345.531 3.239 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCCCF)C1)N(C)C ZINC001316773030 1384571192 /nfs/dbraw/zinc/57/11/92/1384571192.db2.gz RTSNAGOMQWIOSN-QZTJIDSGSA-N 1 3 343.531 3.073 10 0 EGAEHO CCCc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001316790327 1384583766 /nfs/dbraw/zinc/58/37/66/1384583766.db2.gz CHPIBLLFNJGHKF-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C)N(CC)CC ZINC001316792821 1384586079 /nfs/dbraw/zinc/58/60/79/1384586079.db2.gz MQMCWGPYVPLKGU-IKGGRYGDSA-N 1 3 325.541 3.122 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C)N(CC)CC ZINC001316792821 1384586082 /nfs/dbraw/zinc/58/60/82/1384586082.db2.gz MQMCWGPYVPLKGU-IKGGRYGDSA-N 1 3 325.541 3.122 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001316833646 1384624735 /nfs/dbraw/zinc/62/47/35/1384624735.db2.gz FEDMVELWUNOCQH-QGZVFWFLSA-N 1 3 347.528 3.180 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001316833646 1384624740 /nfs/dbraw/zinc/62/47/40/1384624740.db2.gz FEDMVELWUNOCQH-QGZVFWFLSA-N 1 3 347.528 3.180 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001316997140 1384753993 /nfs/dbraw/zinc/75/39/93/1384753993.db2.gz CKNBVPBXZXMSRZ-MSOLQXFVSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001317005282 1384765981 /nfs/dbraw/zinc/76/59/81/1384765981.db2.gz GYHHKHNRVXSSPE-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)N(C)C ZINC001317097895 1384860026 /nfs/dbraw/zinc/86/00/26/1384860026.db2.gz HMMJFCLZTMYQBH-NXEWRWPSSA-N 1 3 349.563 3.265 10 0 EGAEHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)N(C)C ZINC001317097895 1384860029 /nfs/dbraw/zinc/86/00/29/1384860029.db2.gz HMMJFCLZTMYQBH-NXEWRWPSSA-N 1 3 349.563 3.265 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3=CCCCC3)CC[C@H]21 ZINC001317100900 1384864419 /nfs/dbraw/zinc/86/44/19/1384864419.db2.gz ZAIGIWJDBBQRKA-VQTJNVASSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3=CCCCC3)CC[C@H]21 ZINC001317100900 1384864423 /nfs/dbraw/zinc/86/44/23/1384864423.db2.gz ZAIGIWJDBBQRKA-VQTJNVASSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317169334 1384934297 /nfs/dbraw/zinc/93/42/97/1384934297.db2.gz ZIDAAALKCBEDJI-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001317173833 1384943279 /nfs/dbraw/zinc/94/32/79/1384943279.db2.gz QQVNPDWHLVKYPI-WYNBNGFRSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001317173833 1384943280 /nfs/dbraw/zinc/94/32/80/1384943280.db2.gz QQVNPDWHLVKYPI-WYNBNGFRSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205861 1384982121 /nfs/dbraw/zinc/98/21/21/1384982121.db2.gz BJJQDHFWLCEBAO-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317205861 1384982123 /nfs/dbraw/zinc/98/21/23/1384982123.db2.gz BJJQDHFWLCEBAO-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001317221235 1385001573 /nfs/dbraw/zinc/00/15/73/1385001573.db2.gz BQKQQEVPDBPTAF-YFHOEESVSA-N 1 3 343.515 3.057 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)[NH2+]CCCC1CCCC1)N1CCCCCC1 ZINC001317270670 1385041341 /nfs/dbraw/zinc/04/13/41/1385041341.db2.gz JQWVSKPUNNOVSY-ZWKOTPCHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1=CCCCC1 ZINC001317478250 1385174020 /nfs/dbraw/zinc/17/40/20/1385174020.db2.gz DEPUQBSPEKOLHE-UHFFFAOYSA-N 1 3 335.536 3.189 10 0 EGAEHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1=CCCCC1 ZINC001317478250 1385174022 /nfs/dbraw/zinc/17/40/22/1385174022.db2.gz DEPUQBSPEKOLHE-UHFFFAOYSA-N 1 3 335.536 3.189 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317811989 1385511822 /nfs/dbraw/zinc/51/18/22/1385511822.db2.gz TYVFBXSEFUVPGV-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317811989 1385511825 /nfs/dbraw/zinc/51/18/25/1385511825.db2.gz TYVFBXSEFUVPGV-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812278 1385512203 /nfs/dbraw/zinc/51/22/03/1385512203.db2.gz XDKUWPSMLSKUPQ-MSOLQXFVSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812278 1385512206 /nfs/dbraw/zinc/51/22/06/1385512206.db2.gz XDKUWPSMLSKUPQ-MSOLQXFVSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1)[NH+](CC)CC ZINC001318217283 1385630587 /nfs/dbraw/zinc/63/05/87/1385630587.db2.gz ZCNASYOKUQVWPD-SLFFLAALSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCN(Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001318276772 1385640475 /nfs/dbraw/zinc/64/04/75/1385640475.db2.gz SIIHHRFMNAPHDC-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318403420 1385674320 /nfs/dbraw/zinc/67/43/20/1385674320.db2.gz RPRRRRNOKCHKIN-ROUUACIJSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318403420 1385674324 /nfs/dbraw/zinc/67/43/24/1385674324.db2.gz RPRRRRNOKCHKIN-ROUUACIJSA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001698612172 1406242020 /nfs/dbraw/zinc/24/20/20/1406242020.db2.gz GFJNNSIZCACIJB-HKUYNNGSSA-N 1 3 345.531 3.136 10 0 EGAEHO CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001319376919 1386090323 /nfs/dbraw/zinc/09/03/23/1386090323.db2.gz DCOZHHUCFVLSTK-SFHVURJKSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C(C)C)N(C)C ZINC001319478186 1386139907 /nfs/dbraw/zinc/13/99/07/1386139907.db2.gz RUCLXEZRVADUNJ-QFBILLFUSA-N 1 3 333.520 3.087 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCC1 ZINC001698635696 1406280913 /nfs/dbraw/zinc/28/09/13/1406280913.db2.gz CBFDFHODVUNYJC-ROUUACIJSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001322244474 1387117361 /nfs/dbraw/zinc/11/73/61/1387117361.db2.gz NKVVSUBBSNDJEI-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001322244474 1387117365 /nfs/dbraw/zinc/11/73/65/1387117365.db2.gz NKVVSUBBSNDJEI-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C/C=C\c1ccccc1 ZINC001322845084 1387245542 /nfs/dbraw/zinc/24/55/42/1387245542.db2.gz WLPUGRAZHFGKMT-DRHVUCGNSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001322852357 1387247121 /nfs/dbraw/zinc/24/71/21/1387247121.db2.gz MYWWQTVOPUNJAC-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCCC1)N(C)C ZINC001329845928 1389235173 /nfs/dbraw/zinc/23/51/73/1389235173.db2.gz MGBVUTYDWXJDTN-KRWDZBQOSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC001330528037 1389445474 /nfs/dbraw/zinc/44/54/74/1389445474.db2.gz DVEIKKXKOZVRNC-BGYRXZFFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC001330528037 1389445479 /nfs/dbraw/zinc/44/54/79/1389445479.db2.gz DVEIKKXKOZVRNC-BGYRXZFFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC001331074065 1389621271 /nfs/dbraw/zinc/62/12/71/1389621271.db2.gz JDFAGVDOSSTKMF-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC001331074065 1389621273 /nfs/dbraw/zinc/62/12/73/1389621273.db2.gz JDFAGVDOSSTKMF-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001331176543 1389643497 /nfs/dbraw/zinc/64/34/97/1389643497.db2.gz LPNBBWGTWRWEDQ-GOSISDBHSA-N 1 3 331.504 3.108 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1)N(C)C ZINC001332422410 1390112050 /nfs/dbraw/zinc/11/20/50/1390112050.db2.gz HXYBJXCWDDJUQQ-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(C)C)N(C)C ZINC001332711833 1390164681 /nfs/dbraw/zinc/16/46/81/1390164681.db2.gz WQTCZPQTKUYQCE-GOSISDBHSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)CC1CC2(CCC2)C1)C(C)C)N(C)C ZINC001332711833 1390164692 /nfs/dbraw/zinc/16/46/92/1390164692.db2.gz WQTCZPQTKUYQCE-GOSISDBHSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001332788904 1390188467 /nfs/dbraw/zinc/18/84/67/1390188467.db2.gz KDXWMRJGDUZLDD-ZWKOTPCHSA-N 1 3 339.568 3.416 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001333004228 1390234862 /nfs/dbraw/zinc/23/48/62/1390234862.db2.gz IQCSGPUPNAUCMC-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001333342419 1390286535 /nfs/dbraw/zinc/28/65/35/1390286535.db2.gz JUSAKUNDUOCFNB-UHFFFAOYSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001333342419 1390286538 /nfs/dbraw/zinc/28/65/38/1390286538.db2.gz JUSAKUNDUOCFNB-UHFFFAOYSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001698804115 1406483365 /nfs/dbraw/zinc/48/33/65/1406483365.db2.gz SFTUSAAKXBWPGP-DLBZAZTESA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCCC1)N(C)C ZINC001698806434 1406487705 /nfs/dbraw/zinc/48/77/05/1406487705.db2.gz NEZIJFFVZHRZQK-ABHNRTSZSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCC[NH+]1CC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001698809660 1406495458 /nfs/dbraw/zinc/49/54/58/1406495458.db2.gz UYGIZCBANSFXTP-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001479693734 1392324829 /nfs/dbraw/zinc/32/48/29/1392324829.db2.gz DDFNYLINYKATKQ-AZUAARDMSA-N 1 3 345.531 3.450 10 0 EGAEHO CN(CC(=O)NCCC[N@H+](C)[C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001479796024 1392395712 /nfs/dbraw/zinc/39/57/12/1392395712.db2.gz ALZREPAWKRILMQ-LJQANCHMSA-N 1 3 345.531 3.090 10 0 EGAEHO CN(CC(=O)NCCC[N@@H+](C)[C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001479796024 1392395715 /nfs/dbraw/zinc/39/57/15/1392395715.db2.gz ALZREPAWKRILMQ-LJQANCHMSA-N 1 3 345.531 3.090 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001479815302 1392407779 /nfs/dbraw/zinc/40/77/79/1392407779.db2.gz GFNFMNOKVWLYKZ-UYAOXDASSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001479815302 1392407780 /nfs/dbraw/zinc/40/77/80/1392407780.db2.gz GFNFMNOKVWLYKZ-UYAOXDASSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1ccc(C)cc1 ZINC001479861561 1392440224 /nfs/dbraw/zinc/44/02/24/1392440224.db2.gz WLDGMLALWAOBRV-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC001479861561 1392440225 /nfs/dbraw/zinc/44/02/25/1392440225.db2.gz WLDGMLALWAOBRV-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001479895946 1392464967 /nfs/dbraw/zinc/46/49/67/1392464967.db2.gz DZCWQDFTNSSTRM-GHOSXJJBSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001479980891 1392514488 /nfs/dbraw/zinc/51/44/88/1392514488.db2.gz KLEOIPUSYUWPLG-YSKLNCTFSA-N 1 3 347.547 3.186 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001480304528 1392668184 /nfs/dbraw/zinc/66/81/84/1392668184.db2.gz YTNHDGVYLWNVBG-LJQANCHMSA-N 1 3 337.552 3.127 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001480515128 1392775970 /nfs/dbraw/zinc/77/59/70/1392775970.db2.gz CUCOKLKUYVFKHQ-GOSISDBHSA-N 1 3 345.531 3.081 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058776 1393109115 /nfs/dbraw/zinc/10/91/15/1393109115.db2.gz ZPDAITLJBZWJFM-MOPGFXCFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058776 1393109116 /nfs/dbraw/zinc/10/91/16/1393109116.db2.gz ZPDAITLJBZWJFM-MOPGFXCFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001698927633 1406663841 /nfs/dbraw/zinc/66/38/41/1406663841.db2.gz GAERBJFTGJNMNF-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491172434 1394458375 /nfs/dbraw/zinc/45/83/75/1394458375.db2.gz DZILOVPJKASLTD-SFHVURJKSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001491264998 1394496599 /nfs/dbraw/zinc/49/65/99/1394496599.db2.gz SCCZSIFXKBFEFN-OALUTQOASA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1ccccc1C ZINC001481838423 1394553243 /nfs/dbraw/zinc/55/32/43/1394553243.db2.gz BVDRUBQJVWENKH-MSOLQXFVSA-N 1 3 345.531 3.415 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001481897125 1394584849 /nfs/dbraw/zinc/58/48/49/1394584849.db2.gz OWAMDROVUPWEBQ-QGZVFWFLSA-N 1 3 337.552 3.314 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](CC[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001481976819 1394638000 /nfs/dbraw/zinc/63/80/00/1394638000.db2.gz MFKRTPFBXUNLJO-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001482009072 1394669118 /nfs/dbraw/zinc/66/91/18/1394669118.db2.gz BXDZTZXNPGKCHB-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001482026679 1394684957 /nfs/dbraw/zinc/68/49/57/1394684957.db2.gz ZXMVISCKQPYIOG-BRSBDYLESA-N 1 3 337.552 3.312 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001482238776 1394834625 /nfs/dbraw/zinc/83/46/25/1394834625.db2.gz WUXPRUYOGGVUQC-IAGOWNOFSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001482469152 1395024435 /nfs/dbraw/zinc/02/44/35/1395024435.db2.gz CQRKMTSOZZXBSN-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001483913128 1395142112 /nfs/dbraw/zinc/14/21/12/1395142112.db2.gz FLWBONGAGATAMW-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1)C1CCCC1)N(C)C ZINC001484012783 1395185842 /nfs/dbraw/zinc/18/58/42/1395185842.db2.gz MNSYJRRPTGWGNB-WOJBJXKFSA-N 1 3 345.531 3.100 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161501 1395296339 /nfs/dbraw/zinc/29/63/39/1395296339.db2.gz WTHJDAYIGCAJGH-AQWUKCDYSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161501 1395296341 /nfs/dbraw/zinc/29/63/41/1395296341.db2.gz WTHJDAYIGCAJGH-AQWUKCDYSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170188 1395310147 /nfs/dbraw/zinc/31/01/47/1395310147.db2.gz LINNHLWRRHWEAR-NQIIRXRSSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170188 1395310153 /nfs/dbraw/zinc/31/01/53/1395310153.db2.gz LINNHLWRRHWEAR-NQIIRXRSSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001485683161 1396103450 /nfs/dbraw/zinc/10/34/50/1396103450.db2.gz HMYYRVDEZIRWLM-MKXGPGLRSA-N 1 3 337.552 3.026 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001485764848 1396141241 /nfs/dbraw/zinc/14/12/41/1396141241.db2.gz GAUZFEWZVAHPHW-SREVYHEPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001485764848 1396141247 /nfs/dbraw/zinc/14/12/47/1396141247.db2.gz GAUZFEWZVAHPHW-SREVYHEPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247118 1396188712 /nfs/dbraw/zinc/18/87/12/1396188712.db2.gz YMKLSOZWFHNOKS-HKUYNNGSSA-N 1 3 345.531 3.224 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001501392142 1396194042 /nfs/dbraw/zinc/19/40/42/1396194042.db2.gz WFVSEZVDYNQXGN-CSSZIBPHSA-N 1 3 347.547 3.282 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001501392142 1396194044 /nfs/dbraw/zinc/19/40/44/1396194044.db2.gz WFVSEZVDYNQXGN-CSSZIBPHSA-N 1 3 347.547 3.282 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001492092411 1396303887 /nfs/dbraw/zinc/30/38/87/1396303887.db2.gz PSXRMDKGPJRTRJ-UYAOXDASSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001492178930 1396313162 /nfs/dbraw/zinc/31/31/62/1396313162.db2.gz SJUIGRPLUNRIPH-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001492178930 1396313163 /nfs/dbraw/zinc/31/31/63/1396313163.db2.gz SJUIGRPLUNRIPH-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001494057146 1396348451 /nfs/dbraw/zinc/34/84/51/1396348451.db2.gz SENZYYVTELMRQQ-DXPXIUTNSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001494057146 1396348455 /nfs/dbraw/zinc/34/84/55/1396348455.db2.gz SENZYYVTELMRQQ-DXPXIUTNSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CCC(C)CC1 ZINC001495742911 1396553693 /nfs/dbraw/zinc/55/36/93/1396553693.db2.gz LBAYPQYRKUVYKU-ADKAHSJRSA-N 1 3 339.568 3.133 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001497689615 1396785226 /nfs/dbraw/zinc/78/52/26/1396785226.db2.gz AIKKIZNKTDUOJG-MEDWBQCRSA-N 1 3 349.563 3.338 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001498456871 1397005803 /nfs/dbraw/zinc/00/58/03/1397005803.db2.gz QHKUYXWKWLOYGA-KRWDZBQOSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001498456871 1397005810 /nfs/dbraw/zinc/00/58/10/1397005810.db2.gz QHKUYXWKWLOYGA-KRWDZBQOSA-N 1 3 347.547 3.261 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001690027338 1404265724 /nfs/dbraw/zinc/26/57/24/1404265724.db2.gz IREDNVOFDVLHGE-CMDGGOBGSA-N 1 3 337.552 3.243 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690194698 1404401339 /nfs/dbraw/zinc/40/13/39/1404401339.db2.gz MCIUCYYZFMROEH-XOUUWWQPSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690194698 1404401341 /nfs/dbraw/zinc/40/13/41/1404401341.db2.gz MCIUCYYZFMROEH-XOUUWWQPSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCC)CC[C@H]21 ZINC001690318445 1404475950 /nfs/dbraw/zinc/47/59/50/1404475950.db2.gz UAUHVFCVTXKKTL-RBUKOAKNSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC)CC[C@H]21 ZINC001690318445 1404475953 /nfs/dbraw/zinc/47/59/53/1404475953.db2.gz UAUHVFCVTXKKTL-RBUKOAKNSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)N1CCCCC1 ZINC001690336773 1404482121 /nfs/dbraw/zinc/48/21/21/1404482121.db2.gz RCPDAPQHZOLPSO-HDICACEKSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001690357694 1404492582 /nfs/dbraw/zinc/49/25/82/1404492582.db2.gz CFQODXFOSARBLO-CEXWTWQISA-N 1 3 335.536 3.066 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505405 1404618227 /nfs/dbraw/zinc/61/82/27/1404618227.db2.gz SACNHAJFBVKTIR-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505405 1404618234 /nfs/dbraw/zinc/61/82/34/1404618234.db2.gz SACNHAJFBVKTIR-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001690574911 1404637169 /nfs/dbraw/zinc/63/71/69/1404637169.db2.gz KMZGXZBJJPHLRF-OXQOHEQNSA-N 1 3 343.515 3.031 10 0 EGAEHO CCCc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001690610815 1404651353 /nfs/dbraw/zinc/65/13/53/1404651353.db2.gz VETZIUUSFQCCLI-QGZVFWFLSA-N 1 3 345.531 3.108 10 0 EGAEHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001690628827 1404663641 /nfs/dbraw/zinc/66/36/41/1404663641.db2.gz WDHFWJXOJUBGPC-ZWKOTPCHSA-N 1 3 345.531 3.108 10 0 EGAEHO CC1CCC(C[N@H+](C)CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001690941968 1404847940 /nfs/dbraw/zinc/84/79/40/1404847940.db2.gz PLEONWSYGFHWLU-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC1CCC(C[N@@H+](C)CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001690941968 1404847945 /nfs/dbraw/zinc/84/79/45/1404847945.db2.gz PLEONWSYGFHWLU-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691142985 1405076879 /nfs/dbraw/zinc/07/68/79/1405076879.db2.gz HVUOJLDAKPGBGF-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691142985 1405076881 /nfs/dbraw/zinc/07/68/81/1405076881.db2.gz HVUOJLDAKPGBGF-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001691304579 1405198428 /nfs/dbraw/zinc/19/84/28/1405198428.db2.gz CKXODJZNESOQEM-QFBILLFUSA-N 1 3 346.519 3.139 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1Cc1ccccc1C ZINC001691510656 1405311472 /nfs/dbraw/zinc/31/14/72/1405311472.db2.gz QBYORTOMGBOQQW-XUVXKRRUSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1Cc1ccccc1C ZINC001691510656 1405311473 /nfs/dbraw/zinc/31/14/73/1405311473.db2.gz QBYORTOMGBOQQW-XUVXKRRUSA-N 1 3 345.531 3.050 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001691664958 1405397023 /nfs/dbraw/zinc/39/70/23/1405397023.db2.gz NDHWJKYTONCISW-CEXWTWQISA-N 1 3 345.531 3.272 10 0 EGAEHO CC(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001691728339 1405451934 /nfs/dbraw/zinc/45/19/34/1405451934.db2.gz QGKMKEIYXXOXAA-ROUUACIJSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001691757459 1405474344 /nfs/dbraw/zinc/47/43/44/1405474344.db2.gz ISHFERCFYUMXCD-QRVBRYPASA-N 1 3 345.531 3.189 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773451 1405484861 /nfs/dbraw/zinc/48/48/61/1405484861.db2.gz YNTBLWNNBSZXAP-PXNSSMCTSA-N 1 3 345.531 3.309 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001691941797 1405664667 /nfs/dbraw/zinc/66/46/67/1405664667.db2.gz FAOCHKSEICGQLV-JTDSTZFVSA-N 1 3 349.494 3.103 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C)N(C)C ZINC001692224231 1405855375 /nfs/dbraw/zinc/85/53/75/1405855375.db2.gz QYOHECGWBGSUPC-NEWSRXKRSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C)N(C)C ZINC001692224231 1405855379 /nfs/dbraw/zinc/85/53/79/1405855379.db2.gz QYOHECGWBGSUPC-NEWSRXKRSA-N 1 3 337.552 3.122 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001732053358 1428295174 /nfs/dbraw/zinc/29/51/74/1428295174.db2.gz GARYNLYDMNGFRS-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001732053358 1428295178 /nfs/dbraw/zinc/29/51/78/1428295178.db2.gz GARYNLYDMNGFRS-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732147757 1428391733 /nfs/dbraw/zinc/39/17/33/1428391733.db2.gz BIORHKCPCSKDDT-OALUTQOASA-N 1 3 349.563 3.364 10 0 EGAEHO CC/C=C/CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001732154507 1428398250 /nfs/dbraw/zinc/39/82/50/1428398250.db2.gz ROQHXEGGRGGDPS-PEPAHJGKSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C/CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001732154507 1428398251 /nfs/dbraw/zinc/39/82/51/1428398251.db2.gz ROQHXEGGRGGDPS-PEPAHJGKSA-N 1 3 347.547 3.330 10 0 EGAEHO CCN(CC[NH2+]Cc1ccccc1C(C)C)C(=O)CN1CC[C@H](C)C1 ZINC001699204782 1412572732 /nfs/dbraw/zinc/57/27/32/1412572732.db2.gz WFRZRXIFZWNANY-SFHVURJKSA-N 1 3 345.531 3.090 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443021 1412773575 /nfs/dbraw/zinc/77/35/75/1412773575.db2.gz SQWUCKVVKUBOAS-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001699443021 1412773577 /nfs/dbraw/zinc/77/35/77/1412773577.db2.gz SQWUCKVVKUBOAS-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1)N1CCCC1 ZINC001699797621 1413207429 /nfs/dbraw/zinc/20/74/29/1413207429.db2.gz UEOWFJJTHBFDGM-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001699933403 1413375959 /nfs/dbraw/zinc/37/59/59/1413375959.db2.gz LITZVEKANQOFNP-FQEVSTJZSA-N 1 3 349.563 3.077 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699937833 1413381508 /nfs/dbraw/zinc/38/15/08/1413381508.db2.gz VDEFNFKOIWRJNG-JKCVZHOFSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCN1C(C)C ZINC001700089742 1413501241 /nfs/dbraw/zinc/50/12/41/1413501241.db2.gz FVHFBHNDJSSLRP-LJQANCHMSA-N 1 3 331.504 3.017 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCN1C(C)C ZINC001700089742 1413501244 /nfs/dbraw/zinc/50/12/44/1413501244.db2.gz FVHFBHNDJSSLRP-LJQANCHMSA-N 1 3 331.504 3.017 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001700103933 1413522219 /nfs/dbraw/zinc/52/22/19/1413522219.db2.gz VJYQVGAABAVLME-IRJFHVNHSA-N 1 3 345.531 3.427 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001700104834 1413523415 /nfs/dbraw/zinc/52/34/15/1413523415.db2.gz YEFRGQUHVVBNQG-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)CCC1 ZINC001700179089 1413589651 /nfs/dbraw/zinc/58/96/51/1413589651.db2.gz MYXJGUKKDBMRBG-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](CCC3CCCCC3)CC2)CCC1 ZINC001700179089 1413589652 /nfs/dbraw/zinc/58/96/52/1413589652.db2.gz MYXJGUKKDBMRBG-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001700193258 1413627210 /nfs/dbraw/zinc/62/72/10/1413627210.db2.gz UQVULUWMOVRLNP-QZTJIDSGSA-N 1 3 349.544 3.045 10 0 EGAEHO CN(CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001700193258 1413627212 /nfs/dbraw/zinc/62/72/12/1413627212.db2.gz UQVULUWMOVRLNP-QZTJIDSGSA-N 1 3 349.544 3.045 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001700222259 1413670455 /nfs/dbraw/zinc/67/04/55/1413670455.db2.gz KDPRGBJELSDLLX-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001700364449 1413885876 /nfs/dbraw/zinc/88/58/76/1413885876.db2.gz LESMJFWYAAMKLC-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO CCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001700364449 1413885880 /nfs/dbraw/zinc/88/58/80/1413885880.db2.gz LESMJFWYAAMKLC-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO CCCCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001700522228 1414177727 /nfs/dbraw/zinc/17/77/27/1414177727.db2.gz YKZMIYMGJQBCGY-HDICACEKSA-N 1 3 337.552 3.458 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001700644664 1414310010 /nfs/dbraw/zinc/31/00/10/1414310010.db2.gz ZMKORCIVZASCCP-BZSNNMDCSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001700645479 1414310281 /nfs/dbraw/zinc/31/02/81/1414310281.db2.gz HNKDKTUGTPTOIM-ZULIPRJHSA-N 1 3 347.547 3.234 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001700972699 1414599925 /nfs/dbraw/zinc/59/99/25/1414599925.db2.gz RPHMQUILYGRCCN-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001700972699 1414599927 /nfs/dbraw/zinc/59/99/27/1414599927.db2.gz RPHMQUILYGRCCN-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732956711 1429080811 /nfs/dbraw/zinc/08/08/11/1429080811.db2.gz LZQUXXAFDUYMKN-IEBWSBKVSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001707158774 1417224995 /nfs/dbraw/zinc/22/49/95/1417224995.db2.gz XIMKGZOMTYDHCT-QYZOEREBSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054112 1429195125 /nfs/dbraw/zinc/19/51/25/1429195125.db2.gz NCMGASWHKPEZJZ-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001733054112 1429195128 /nfs/dbraw/zinc/19/51/28/1429195128.db2.gz NCMGASWHKPEZJZ-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001713056836 1417610910 /nfs/dbraw/zinc/61/09/10/1417610910.db2.gz QDAXVSCXEHIMAP-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCC(C)C)CC1 ZINC001713101775 1417655104 /nfs/dbraw/zinc/65/51/04/1417655104.db2.gz ZVZHXHFXOJOXLQ-UHFFFAOYSA-N 1 3 334.508 3.091 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001713194200 1417765909 /nfs/dbraw/zinc/76/59/09/1417765909.db2.gz ZSULRDULYTUWML-KURKYZTESA-N 1 3 343.515 3.086 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001713492977 1418194861 /nfs/dbraw/zinc/19/48/61/1418194861.db2.gz RPQVNUDHVJYVKP-PKOBYXMFSA-N 1 3 345.531 3.144 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001713492977 1418194864 /nfs/dbraw/zinc/19/48/64/1418194864.db2.gz RPQVNUDHVJYVKP-PKOBYXMFSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)(C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CC1)N1CCCCC1 ZINC001733169985 1429272732 /nfs/dbraw/zinc/27/27/32/1429272732.db2.gz DFQBKQVAJPCTKL-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001713968380 1418747356 /nfs/dbraw/zinc/74/73/56/1418747356.db2.gz GXYHOXNZYTXQQX-MXVIHJGJSA-N 1 3 343.515 3.031 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001714141935 1418944547 /nfs/dbraw/zinc/94/45/47/1418944547.db2.gz KNPNUPRTTKRKSL-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NCCN(C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001714572280 1419305964 /nfs/dbraw/zinc/30/59/64/1419305964.db2.gz NCKFPAMDYAKOOP-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)[C@@H](C)c2ccc(F)cc2)CC[N@@H+]1C ZINC001714582466 1419322521 /nfs/dbraw/zinc/32/25/21/1419322521.db2.gz BKFFLOWRARTLKJ-ZYSHUDEJSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)[C@@H](C)c2ccc(F)cc2)CC[N@H+]1C ZINC001714582466 1419322524 /nfs/dbraw/zinc/32/25/24/1419322524.db2.gz BKFFLOWRARTLKJ-ZYSHUDEJSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(C/C=C\c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714585569 1419326991 /nfs/dbraw/zinc/32/69/91/1419326991.db2.gz CGLIAYZNCZGXNZ-RAXLEYEMSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C/C=C\Cl)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714827983 1419538515 /nfs/dbraw/zinc/53/85/15/1419538515.db2.gz AJSVAJUVLGHQGK-UITAMQMPSA-N 1 3 343.943 3.076 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862424 1419585375 /nfs/dbraw/zinc/58/53/75/1419585375.db2.gz GMMIAXXANPXEOM-SFFCAUCYSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862424 1419585377 /nfs/dbraw/zinc/58/53/77/1419585377.db2.gz GMMIAXXANPXEOM-SFFCAUCYSA-N 1 3 349.563 3.435 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883903 1419622278 /nfs/dbraw/zinc/62/22/78/1419622278.db2.gz XTKBKBFAMMNBQV-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001715188693 1419920873 /nfs/dbraw/zinc/92/08/73/1419920873.db2.gz HUROISMMDJCSHF-GPMSIDNRSA-N 1 3 341.515 3.016 10 0 EGAEHO CC(C)=CC[NH2+]Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001715196283 1419928196 /nfs/dbraw/zinc/92/81/96/1419928196.db2.gz KIKUMAFIJGKNMK-UHFFFAOYSA-N 1 3 345.531 3.337 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC2(C[NH+](CC=C(C)C)C2)CC1 ZINC001715316040 1420025070 /nfs/dbraw/zinc/02/50/70/1420025070.db2.gz SGACCFBELOOEPK-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001715410687 1420107118 /nfs/dbraw/zinc/10/71/18/1420107118.db2.gz IWRQLDPIKCVITE-YLJYHZDGSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)cc1C ZINC001715578610 1420260836 /nfs/dbraw/zinc/26/08/36/1420260836.db2.gz RTFFBUUOTKDLPK-UXHICEINSA-N 1 3 345.531 3.018 10 0 EGAEHO C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001715681074 1420291871 /nfs/dbraw/zinc/29/18/71/1420291871.db2.gz GAGUOQNUIXCGRM-HNAYVOBHSA-N 1 3 343.531 3.120 10 0 EGAEHO Cc1ccc2ccccc2c1C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001715961314 1420428056 /nfs/dbraw/zinc/42/80/56/1420428056.db2.gz BUJUEJFPOPMXSZ-QGZVFWFLSA-N 1 3 341.499 3.083 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001716455205 1420670007 /nfs/dbraw/zinc/67/00/07/1420670007.db2.gz RYQPRRQFIFHABV-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716496056 1420719784 /nfs/dbraw/zinc/71/97/84/1420719784.db2.gz NULCJBRBVSBBJD-DNVCBOLYSA-N 1 3 343.531 3.072 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716496056 1420719785 /nfs/dbraw/zinc/71/97/85/1420719785.db2.gz NULCJBRBVSBBJD-DNVCBOLYSA-N 1 3 343.531 3.072 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CCCC2CCCC2)CC1)N1CCCCCC1 ZINC001716695823 1420848349 /nfs/dbraw/zinc/84/83/49/1420848349.db2.gz MUCCOOYWDKMUEY-GOSISDBHSA-N 1 3 349.563 3.460 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829879 1420956041 /nfs/dbraw/zinc/95/60/41/1420956041.db2.gz FFGNCFDJXAUUCV-BXKJMJEDSA-N 1 3 349.563 3.389 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829879 1420956043 /nfs/dbraw/zinc/95/60/43/1420956043.db2.gz FFGNCFDJXAUUCV-BXKJMJEDSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001716968691 1421056188 /nfs/dbraw/zinc/05/61/88/1421056188.db2.gz DMOLBNRGCZPOBU-QZTJIDSGSA-N 1 3 339.568 3.227 10 0 EGAEHO CN(C)C1(C(=O)NCc2ccccc2C[N@H+](C)CCC2CC2)CCC1 ZINC001717113585 1421117114 /nfs/dbraw/zinc/11/71/14/1421117114.db2.gz ZUBQKUOUKLHYRT-UHFFFAOYSA-N 1 3 343.515 3.019 10 0 EGAEHO CN(C)C1(C(=O)NCc2ccccc2C[N@@H+](C)CCC2CC2)CCC1 ZINC001717113585 1421117116 /nfs/dbraw/zinc/11/71/16/1421117116.db2.gz ZUBQKUOUKLHYRT-UHFFFAOYSA-N 1 3 343.515 3.019 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216036 1421193628 /nfs/dbraw/zinc/19/36/28/1421193628.db2.gz CJTLPQCTDHILPB-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216036 1421193629 /nfs/dbraw/zinc/19/36/29/1421193629.db2.gz CJTLPQCTDHILPB-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1)N(C)C ZINC001717297909 1421241352 /nfs/dbraw/zinc/24/13/52/1421241352.db2.gz NJAYWFUMEMXMRX-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)C)CC1 ZINC001717304704 1421246414 /nfs/dbraw/zinc/24/64/14/1421246414.db2.gz PULUAQNDFNSAHL-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)C)CC1 ZINC001717304703 1421246493 /nfs/dbraw/zinc/24/64/93/1421246493.db2.gz PULUAQNDFNSAHL-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001717456854 1421385813 /nfs/dbraw/zinc/38/58/13/1421385813.db2.gz NBVDBUZMQWEZIE-SJORKVTESA-N 1 3 348.535 3.243 10 0 EGAEHO CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717456584 1421385859 /nfs/dbraw/zinc/38/58/59/1421385859.db2.gz CYAAHPNEENNUML-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@H](C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1)N1CCCCCC1 ZINC001717526007 1421461490 /nfs/dbraw/zinc/46/14/90/1421461490.db2.gz MBIUKTMUGZOLTN-GOSISDBHSA-N 1 3 349.563 3.460 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001717642312 1421546724 /nfs/dbraw/zinc/54/67/24/1421546724.db2.gz QBWCREJHGXMIBH-BZSNNMDCSA-N 1 3 343.515 3.025 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001733327870 1429513507 /nfs/dbraw/zinc/51/35/07/1429513507.db2.gz MGHRHDOXDOIJGZ-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CN(CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)C1CCC1 ZINC001733380322 1429564820 /nfs/dbraw/zinc/56/48/20/1429564820.db2.gz OPYRLBJTBMCYQD-FQEVSTJZSA-N 1 3 347.547 3.236 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CCCC1 ZINC001733386045 1429573143 /nfs/dbraw/zinc/57/31/43/1429573143.db2.gz AOCKXYHYXALZGT-IBGZPJMESA-N 1 3 349.563 3.172 10 0 EGAEHO C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001733538331 1429744782 /nfs/dbraw/zinc/74/47/82/1429744782.db2.gz NIANLRSEIMBTCO-DLBZAZTESA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)N1CCCCCC1 ZINC001724097431 1424660785 /nfs/dbraw/zinc/66/07/85/1424660785.db2.gz HDCHMEUOAAESGL-YLJYHZDGSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001724108378 1424668524 /nfs/dbraw/zinc/66/85/24/1424668524.db2.gz CMWBTWGXNBVCDO-KRWDZBQOSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174503 1424709428 /nfs/dbraw/zinc/70/94/28/1424709428.db2.gz RDVJYBSRIZBTDK-VQIMIIECSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174503 1424709429 /nfs/dbraw/zinc/70/94/29/1424709429.db2.gz RDVJYBSRIZBTDK-VQIMIIECSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001724716360 1425069809 /nfs/dbraw/zinc/06/98/09/1425069809.db2.gz TWWQSPOUWSDPDH-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)N1CCCCC1 ZINC001724787251 1425153837 /nfs/dbraw/zinc/15/38/37/1425153837.db2.gz VMTNLKMPXSEGDD-UHFFFAOYSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167158 1425672082 /nfs/dbraw/zinc/67/20/82/1425672082.db2.gz USNUNTNUPHTKIO-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167158 1425672086 /nfs/dbraw/zinc/67/20/86/1425672086.db2.gz USNUNTNUPHTKIO-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269485 1425905280 /nfs/dbraw/zinc/90/52/80/1425905280.db2.gz SDDGQVBOJJSRKH-PXNSSMCTSA-N 1 3 347.547 3.044 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725361765 1426012405 /nfs/dbraw/zinc/01/24/05/1426012405.db2.gz XXGLBFVZIYVCBC-FCGDIQPGSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001725437858 1426098928 /nfs/dbraw/zinc/09/89/28/1426098928.db2.gz DPCPJICRAWDTFP-WOJBJXKFSA-N 1 3 345.531 3.495 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471844 1426143105 /nfs/dbraw/zinc/14/31/05/1426143105.db2.gz JWVICTSVZQFUEV-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)CN(C)C1CCC1 ZINC001725728937 1426396391 /nfs/dbraw/zinc/39/63/91/1426396391.db2.gz WRHUSBLWHVAMCU-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)CN(C)C1CCC1 ZINC001725728937 1426396394 /nfs/dbraw/zinc/39/63/94/1426396394.db2.gz WRHUSBLWHVAMCU-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001725769527 1426452535 /nfs/dbraw/zinc/45/25/35/1426452535.db2.gz WMJJNOMRSRLTRS-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(CC(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1)CC(C)(C)C ZINC001725786822 1426472910 /nfs/dbraw/zinc/47/29/10/1426472910.db2.gz PQUSUTUSMOMEAX-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731522571 1427511276 /nfs/dbraw/zinc/51/12/76/1427511276.db2.gz DXDWRACPVWYXRC-JTHGQSKGSA-N 1 3 337.552 3.149 10 0 EGAEHO Cc1c(C)c(C)c(C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)c(C)c1C ZINC001731640972 1427700549 /nfs/dbraw/zinc/70/05/49/1427700549.db2.gz RLMOPBNCIMKUAS-AWEZNQCLSA-N 1 3 347.547 3.163 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885099 1428160375 /nfs/dbraw/zinc/16/03/75/1428160375.db2.gz FCQWEBVBZBCOEB-IRXDYDNUSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885099 1428160377 /nfs/dbraw/zinc/16/03/77/1428160377.db2.gz FCQWEBVBZBCOEB-IRXDYDNUSA-N 1 3 347.547 3.020 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001733596949 1429795339 /nfs/dbraw/zinc/79/53/39/1429795339.db2.gz DJRZSSYODSHWTC-VAMGGRTRSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001733596949 1429795341 /nfs/dbraw/zinc/79/53/41/1429795341.db2.gz DJRZSSYODSHWTC-VAMGGRTRSA-N 1 3 349.563 3.361 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603848 1429811902 /nfs/dbraw/zinc/81/19/02/1429811902.db2.gz UXOXJARDQXMGNV-SDKBWNRFSA-N 1 3 344.503 3.109 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603848 1429811907 /nfs/dbraw/zinc/81/19/07/1429811907.db2.gz UXOXJARDQXMGNV-SDKBWNRFSA-N 1 3 344.503 3.109 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001733682325 1429893507 /nfs/dbraw/zinc/89/35/07/1429893507.db2.gz GNICYIYGDYLVTM-QFBILLFUSA-N 1 3 349.494 3.187 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001733942939 1437759024 /nfs/dbraw/zinc/75/90/24/1437759024.db2.gz DXRVQECISPHISL-IBGZPJMESA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001733942939 1437759027 /nfs/dbraw/zinc/75/90/27/1437759027.db2.gz DXRVQECISPHISL-IBGZPJMESA-N 1 3 349.563 3.220 10 0 EGAEHO Cc1ccccc1C[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001734286449 1438015175 /nfs/dbraw/zinc/01/51/75/1438015175.db2.gz NKNWFUDQSBQPQX-LJQANCHMSA-N 1 3 345.531 3.100 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001734485003 1438128509 /nfs/dbraw/zinc/12/85/09/1438128509.db2.gz IUWAEXIWSMISQS-MSOLQXFVSA-N 1 3 344.503 3.026 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC001734494745 1438131915 /nfs/dbraw/zinc/13/19/15/1438131915.db2.gz BYIXSONJXDACAQ-VXOKQSJXSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001734500294 1438134723 /nfs/dbraw/zinc/13/47/23/1438134723.db2.gz JDBUUXUTUPLOQC-QGZVFWFLSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001734503655 1438136477 /nfs/dbraw/zinc/13/64/77/1438136477.db2.gz FUACRYQOBRTJGT-LJQANCHMSA-N 1 3 345.531 3.235 10 0 EGAEHO CN[C@H](C)c1cc(Br)ccc1OCC[NH+]1CCCC1 ZINC000052067091 214114473 /nfs/dbraw/zinc/11/44/73/214114473.db2.gz HCJJJPKGFRRGPI-GFCCVEGCSA-N 1 3 327.266 3.204 10 0 EGAEHO CSCCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173682788 533562424 /nfs/dbraw/zinc/56/24/24/533562424.db2.gz YKYYNEHPWXICDH-LJQANCHMSA-N 1 3 336.545 3.117 10 0 EGAEHO CSCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173682788 533562428 /nfs/dbraw/zinc/56/24/28/533562428.db2.gz YKYYNEHPWXICDH-LJQANCHMSA-N 1 3 336.545 3.117 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246506932 141012761 /nfs/dbraw/zinc/01/27/61/141012761.db2.gz IAKWDFGPTBNSNS-ZFWWWQNUSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246506932 141012762 /nfs/dbraw/zinc/01/27/62/141012762.db2.gz IAKWDFGPTBNSNS-ZFWWWQNUSA-N 1 3 342.430 3.459 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000246835436 141037653 /nfs/dbraw/zinc/03/76/53/141037653.db2.gz BWLCNCNNZIGZJH-QWQRMKEZSA-N 1 3 330.451 3.138 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000246835436 141037654 /nfs/dbraw/zinc/03/76/54/141037654.db2.gz BWLCNCNNZIGZJH-QWQRMKEZSA-N 1 3 330.451 3.138 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1F ZINC000246835436 141037655 /nfs/dbraw/zinc/03/76/55/141037655.db2.gz BWLCNCNNZIGZJH-QWQRMKEZSA-N 1 3 330.451 3.138 10 0 EGAEHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000351597265 144285420 /nfs/dbraw/zinc/28/54/20/144285420.db2.gz KDDFDTVTFPSXQU-LJQANCHMSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000341557344 155351528 /nfs/dbraw/zinc/35/15/28/155351528.db2.gz DFDZJNHFYSOAFG-ZWKOTPCHSA-N 1 3 349.544 3.002 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000341557344 155351530 /nfs/dbraw/zinc/35/15/30/155351530.db2.gz DFDZJNHFYSOAFG-ZWKOTPCHSA-N 1 3 349.544 3.002 10 0 EGAEHO CN1CC[NH+]([C@@H]2CCCCN(C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000189721212 153092805 /nfs/dbraw/zinc/09/28/05/153092805.db2.gz FZTKCBJYVYBBNS-DPZZJQGRSA-N 1 3 347.934 3.455 10 0 EGAEHO CN1CCC(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000346892447 156183874 /nfs/dbraw/zinc/18/38/74/156183874.db2.gz XBQKREJPVOJFAQ-UHFFFAOYSA-N 1 3 343.515 3.021 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000372766588 157379276 /nfs/dbraw/zinc/37/92/76/157379276.db2.gz LJZHKZAEFGCWAX-SESVDKBCSA-N 1 3 346.515 3.312 10 0 EGAEHO CN(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248571006 163016072 /nfs/dbraw/zinc/01/60/72/163016072.db2.gz QZBYKXULYXHNBJ-NQIIRXRSSA-N 1 3 345.506 3.206 10 0 EGAEHO CN(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248571006 163016074 /nfs/dbraw/zinc/01/60/74/163016074.db2.gz QZBYKXULYXHNBJ-NQIIRXRSSA-N 1 3 345.506 3.206 10 0 EGAEHO CN(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248570999 163016230 /nfs/dbraw/zinc/01/62/30/163016230.db2.gz QZBYKXULYXHNBJ-GHTZIAJQSA-N 1 3 345.506 3.206 10 0 EGAEHO CN(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248570999 163016234 /nfs/dbraw/zinc/01/62/34/163016234.db2.gz QZBYKXULYXHNBJ-GHTZIAJQSA-N 1 3 345.506 3.206 10 0 EGAEHO C[C@H](c1cccc(Cl)c1F)N(C)CCCN(C)CC[NH+](C)C ZINC000344069255 164096741 /nfs/dbraw/zinc/09/67/41/164096741.db2.gz QPQUJFWIYKUFNT-CQSZACIVSA-N 1 3 329.891 3.355 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccccc2OCCOC)CC1 ZINC000350177733 165016638 /nfs/dbraw/zinc/01/66/38/165016638.db2.gz UBJCZUIVCHVKIU-UHFFFAOYSA-N 1 3 334.504 3.266 10 0 EGAEHO CC[NH+](CC)CC1CCN(CCc2ccccc2C(=O)OC)CC1 ZINC000359838866 167244696 /nfs/dbraw/zinc/24/46/96/167244696.db2.gz PYVVLFDHJGLPOT-UHFFFAOYSA-N 1 3 332.488 3.070 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367618211 168250140 /nfs/dbraw/zinc/25/01/40/168250140.db2.gz SERRPVOVJPRXRT-VAMGGRTRSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367618211 168250142 /nfs/dbraw/zinc/25/01/42/168250142.db2.gz SERRPVOVJPRXRT-VAMGGRTRSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000367618211 168250143 /nfs/dbraw/zinc/25/01/43/168250143.db2.gz SERRPVOVJPRXRT-VAMGGRTRSA-N 1 3 332.488 3.064 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367617036 168250819 /nfs/dbraw/zinc/25/08/19/168250819.db2.gz PIYANVSVUCXGPA-XUVXKRRUSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367617036 168250821 /nfs/dbraw/zinc/25/08/21/168250821.db2.gz PIYANVSVUCXGPA-XUVXKRRUSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000367617036 168250824 /nfs/dbraw/zinc/25/08/24/168250824.db2.gz PIYANVSVUCXGPA-XUVXKRRUSA-N 1 3 343.515 3.131 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177967 309065136 /nfs/dbraw/zinc/06/51/36/309065136.db2.gz JKWXXXCSELWHRZ-IAGOWNOFSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177967 309065137 /nfs/dbraw/zinc/06/51/37/309065137.db2.gz JKWXXXCSELWHRZ-IAGOWNOFSA-N 1 3 326.488 3.470 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)[C@H](C)CC)CC1 ZINC000236783624 307944161 /nfs/dbraw/zinc/94/41/61/307944161.db2.gz AEYBAYWNRROVCP-WIYYLYMNSA-N 1 3 347.547 3.105 10 0 EGAEHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000414355914 309074741 /nfs/dbraw/zinc/07/47/41/309074741.db2.gz CUWSJIDVAUEXMY-YQQQUEKLSA-N 1 3 342.462 3.425 10 0 EGAEHO COc1ccc(-c2n[nH]cc2CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414808127 309102786 /nfs/dbraw/zinc/10/27/86/309102786.db2.gz KGNHYMXDMVPFFW-AWEZNQCLSA-N 1 3 336.439 3.395 10 0 EGAEHO N[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000414827091 309104167 /nfs/dbraw/zinc/10/41/67/309104167.db2.gz GMFDVXYRCSEIJS-OAQYLSRUSA-N 1 3 341.474 3.122 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NC[C@]1(C)CCC[NH2+]C1 ZINC000414918811 309109355 /nfs/dbraw/zinc/10/93/55/309109355.db2.gz VHIANHKGELNMMV-MLGOLLRUSA-N 1 3 343.284 3.499 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414918811 309109356 /nfs/dbraw/zinc/10/93/56/309109356.db2.gz VHIANHKGELNMMV-MLGOLLRUSA-N 1 3 343.284 3.499 10 0 EGAEHO CC[C@H]1C[C@@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007154 309113894 /nfs/dbraw/zinc/11/38/94/309113894.db2.gz QXUAEYXNJKXIRV-LWCVALJOSA-N 1 3 334.479 3.314 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)NCCC[NH2+]C1CC1 ZINC000415065311 309117868 /nfs/dbraw/zinc/11/78/68/309117868.db2.gz FVYQJHSQVAIEJT-NSHDSACASA-N 1 3 329.257 3.251 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCNC1CC1 ZINC000415065311 309117869 /nfs/dbraw/zinc/11/78/69/309117869.db2.gz FVYQJHSQVAIEJT-NSHDSACASA-N 1 3 329.257 3.251 10 0 EGAEHO CC(C)C[C@H](N)C[NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415076013 309118534 /nfs/dbraw/zinc/11/85/34/309118534.db2.gz CEVYSRKOGRIHFF-QRFRQXIXSA-N 1 3 334.504 3.275 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415118054 309121532 /nfs/dbraw/zinc/12/15/32/309121532.db2.gz DNJOYILEMIWPET-UYAOXDASSA-N 1 3 332.488 3.030 10 0 EGAEHO COc1ccc(COCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422985118 309379576 /nfs/dbraw/zinc/37/95/76/309379576.db2.gz CEVAAQOCLINHGG-HSALFYBXSA-N 1 3 332.488 3.112 10 0 EGAEHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192368 309389863 /nfs/dbraw/zinc/38/98/63/309389863.db2.gz UQWBZJJZOJZDFV-MTFMMBMASA-N 1 3 331.479 3.305 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](N)c2ccccc2)CC1 ZINC000423249572 309392411 /nfs/dbraw/zinc/39/24/11/309392411.db2.gz OVSHGUSQACILGC-XMSQKQJNSA-N 1 3 337.511 3.372 10 0 EGAEHO C[C@H](CCS(C)(=O)=O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449186122 310042975 /nfs/dbraw/zinc/04/29/75/310042975.db2.gz HMVVXCMTHCLHMS-OAHLLOKOSA-N 1 3 346.581 3.078 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)n[nH]1 ZINC000449188270 310043237 /nfs/dbraw/zinc/04/32/37/310043237.db2.gz KAQBSXSLFDYOEA-WMZOPIPTSA-N 1 3 340.515 3.334 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(C(N)=O)CCCC2)CC1 ZINC000449227797 310046189 /nfs/dbraw/zinc/04/61/89/310046189.db2.gz WMBJIGSZNMUMAQ-UHFFFAOYSA-N 1 3 337.552 3.301 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000449493592 310066636 /nfs/dbraw/zinc/06/66/36/310066636.db2.gz FDYDOMOVMGUPEF-WIYYLYMNSA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000449493592 310066637 /nfs/dbraw/zinc/06/66/37/310066637.db2.gz FDYDOMOVMGUPEF-WIYYLYMNSA-N 1 3 345.531 3.075 10 0 EGAEHO C[C@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)CN(C)C ZINC000453227056 310265334 /nfs/dbraw/zinc/26/53/34/310265334.db2.gz CGCSSCQTJQWDAI-QMTHXVAHSA-N 1 3 329.257 3.363 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000516570626 312330476 /nfs/dbraw/zinc/33/04/76/312330476.db2.gz CNHQJVIGCMENLE-IUODEOHRSA-N 1 3 329.469 3.053 10 0 EGAEHO CC(C)C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000537447556 314181666 /nfs/dbraw/zinc/18/16/66/314181666.db2.gz ZUDKTNSTOYRZLE-YOEHRIQHSA-N 1 3 339.911 3.083 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000572632888 317367990 /nfs/dbraw/zinc/36/79/90/317367990.db2.gz YBFORRZWOUJKCW-RBUKOAKNSA-N 1 3 348.531 3.404 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C[C@@H](C)O1 ZINC000178619795 323359304 /nfs/dbraw/zinc/35/93/04/323359304.db2.gz FRPHPJPBMGLUIV-IAGOWNOFSA-N 1 3 342.487 3.056 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000579361890 325100058 /nfs/dbraw/zinc/10/00/58/325100058.db2.gz JAQYXSJPMMKVKY-SNPRPXQTSA-N 1 3 343.302 3.263 10 0 EGAEHO C[N@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000579361890 325100062 /nfs/dbraw/zinc/10/00/62/325100062.db2.gz JAQYXSJPMMKVKY-SNPRPXQTSA-N 1 3 343.302 3.263 10 0 EGAEHO CC1=CCN(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000579941062 325179645 /nfs/dbraw/zinc/17/96/45/325179645.db2.gz CWEQVXPLWHACFN-KOUNCHBCSA-N 1 3 339.527 3.424 10 0 EGAEHO CC1=CCN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000579941062 325179650 /nfs/dbraw/zinc/17/96/50/325179650.db2.gz CWEQVXPLWHACFN-KOUNCHBCSA-N 1 3 339.527 3.424 10 0 EGAEHO CC1=CCN(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000579941062 325179654 /nfs/dbraw/zinc/17/96/54/325179654.db2.gz CWEQVXPLWHACFN-KOUNCHBCSA-N 1 3 339.527 3.424 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCNc2cccc(Br)c2)CC1(C)C ZINC000623487770 460575884 /nfs/dbraw/zinc/57/58/84/460575884.db2.gz SAHLMTKDNQDZHI-HNNXBMFYSA-N 1 3 340.309 3.323 10 0 EGAEHO C[N@H+]1CC[C@H](NCCNc2cccc(Br)c2)CC1(C)C ZINC000623487770 460575888 /nfs/dbraw/zinc/57/58/88/460575888.db2.gz SAHLMTKDNQDZHI-HNNXBMFYSA-N 1 3 340.309 3.323 10 0 EGAEHO CCOc1cc(CNC(C)(C)CCC[NH+](C)C)c(F)cc1OC ZINC000623540441 460602808 /nfs/dbraw/zinc/60/28/08/460602808.db2.gz ZEKYWPYEXQYOME-UHFFFAOYSA-N 1 3 326.456 3.443 10 0 EGAEHO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000084076436 453967857 /nfs/dbraw/zinc/96/78/57/453967857.db2.gz WRKUIIFSCVHDLM-MRXNPFEDSA-N 1 3 335.517 3.234 10 0 EGAEHO CN(C)C(=O)Sc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000084076436 453967859 /nfs/dbraw/zinc/96/78/59/453967859.db2.gz WRKUIIFSCVHDLM-MRXNPFEDSA-N 1 3 335.517 3.234 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000130550053 454205039 /nfs/dbraw/zinc/20/50/39/454205039.db2.gz JNDCKNAJFRYEGU-GOSISDBHSA-N 1 3 333.545 3.156 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000130550053 454205042 /nfs/dbraw/zinc/20/50/42/454205042.db2.gz JNDCKNAJFRYEGU-GOSISDBHSA-N 1 3 333.545 3.156 10 0 EGAEHO CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112699138 454896462 /nfs/dbraw/zinc/89/64/62/454896462.db2.gz HYTJKSSXWWLFCF-NRFANRHFSA-N 1 3 343.515 3.059 10 0 EGAEHO CCCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000165494834 454900757 /nfs/dbraw/zinc/90/07/57/454900757.db2.gz IITACSNDQMBPRD-HSALFYBXSA-N 1 3 343.515 3.017 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000247122987 455562552 /nfs/dbraw/zinc/56/25/52/455562552.db2.gz AMNIKKSRUVHDSA-VZHSDHNVSA-N 1 3 327.516 3.254 10 0 EGAEHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192476911 455627737 /nfs/dbraw/zinc/62/77/37/455627737.db2.gz PEWHBMMIVAMKBX-OAHLLOKOSA-N 1 3 347.528 3.202 10 0 EGAEHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192476911 455627741 /nfs/dbraw/zinc/62/77/41/455627741.db2.gz PEWHBMMIVAMKBX-OAHLLOKOSA-N 1 3 347.528 3.202 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccsc1 ZINC000268989288 455755405 /nfs/dbraw/zinc/75/54/05/455755405.db2.gz GOKYCUSPAKTDIN-MNEFBYGVSA-N 1 3 330.497 3.282 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccsc1 ZINC000268989288 455755408 /nfs/dbraw/zinc/75/54/08/455755408.db2.gz GOKYCUSPAKTDIN-MNEFBYGVSA-N 1 3 330.497 3.282 10 0 EGAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261928688 455972830 /nfs/dbraw/zinc/97/28/30/455972830.db2.gz SMDVVDSGAQIGPF-UHOSZYNNSA-N 1 3 329.488 3.388 10 0 EGAEHO CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)F ZINC000296642501 455998352 /nfs/dbraw/zinc/99/83/52/455998352.db2.gz YFCMSGINXARZOC-ADHGMGHFSA-N 1 3 338.442 3.176 10 0 EGAEHO CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(F)F ZINC000296642501 455998356 /nfs/dbraw/zinc/99/83/56/455998356.db2.gz YFCMSGINXARZOC-ADHGMGHFSA-N 1 3 338.442 3.176 10 0 EGAEHO NCc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035810 456082307 /nfs/dbraw/zinc/08/23/07/456082307.db2.gz VBBFPGAOEGGURI-GLQYFDAESA-N 1 3 341.377 3.023 10 0 EGAEHO c1ncn2cc(CNC3CC[NH+](CCc4ccccc4)CC3)ccc12 ZINC000297560115 456252195 /nfs/dbraw/zinc/25/21/95/456252195.db2.gz QJAMWWWEXHWYKJ-UHFFFAOYSA-N 1 3 334.467 3.131 10 0 EGAEHO c1ncn2cc(C[NH2+]C3CCN(CCc4ccccc4)CC3)ccc12 ZINC000297560115 456252200 /nfs/dbraw/zinc/25/22/00/456252200.db2.gz QJAMWWWEXHWYKJ-UHFFFAOYSA-N 1 3 334.467 3.131 10 0 EGAEHO CN1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000297657183 456271710 /nfs/dbraw/zinc/27/17/10/456271710.db2.gz NRHPUDRIWZBWPC-NHCUHLMSSA-N 1 3 336.483 3.085 10 0 EGAEHO C[C@@H](NC(C)(C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071394 456472272 /nfs/dbraw/zinc/47/22/72/456472272.db2.gz FDOCNLSOLXXIMN-IEBWSBKVSA-N 1 3 345.531 3.497 10 0 EGAEHO C[C@@H](NC(C)(C)CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000353071394 456472282 /nfs/dbraw/zinc/47/22/82/456472282.db2.gz FDOCNLSOLXXIMN-IEBWSBKVSA-N 1 3 345.531 3.497 10 0 EGAEHO COc1cccc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098439 456478947 /nfs/dbraw/zinc/47/89/47/456478947.db2.gz SLVQCIKCALWVJH-HKUYNNGSSA-N 1 3 339.483 3.133 10 0 EGAEHO COc1cccc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348098439 456478952 /nfs/dbraw/zinc/47/89/52/456478952.db2.gz SLVQCIKCALWVJH-HKUYNNGSSA-N 1 3 339.483 3.133 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000340473677 456481164 /nfs/dbraw/zinc/48/11/64/456481164.db2.gz KGVONBOLKIVLEA-FXAWDEMLSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000340473677 456481168 /nfs/dbraw/zinc/48/11/68/456481168.db2.gz KGVONBOLKIVLEA-FXAWDEMLSA-N 1 3 341.503 3.078 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000341068200 456814483 /nfs/dbraw/zinc/81/44/83/456814483.db2.gz YUEFINMVKXRLEV-QZTJIDSGSA-N 1 3 343.515 3.275 10 0 EGAEHO CN1CC[C@]2(CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000292195619 456881951 /nfs/dbraw/zinc/88/19/51/456881951.db2.gz RTFHAEHGAKIPML-INIZCTEOSA-N 1 3 328.378 3.155 10 0 EGAEHO CN1CC[C@]2(CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000292195619 456881954 /nfs/dbraw/zinc/88/19/54/456881954.db2.gz RTFHAEHGAKIPML-INIZCTEOSA-N 1 3 328.378 3.155 10 0 EGAEHO c1ccc2c(c1)nccc2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000339054824 456919061 /nfs/dbraw/zinc/91/90/61/456919061.db2.gz VZACERJZORLZCH-KRWDZBQOSA-N 1 3 325.456 3.316 10 0 EGAEHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000342080215 457096324 /nfs/dbraw/zinc/09/63/24/457096324.db2.gz HEBJPVSTYDALLN-ZGUWOUCSSA-N 1 3 342.405 3.155 10 0 EGAEHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CCN(C)CC1 ZINC000342164869 457145048 /nfs/dbraw/zinc/14/50/48/457145048.db2.gz NFESMQRWUOTXQA-GXDHUFHOSA-N 1 3 342.405 3.155 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000386208575 457429649 /nfs/dbraw/zinc/42/96/49/457429649.db2.gz MKXPCXVCBPBKPZ-BHDDXSALSA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000386208575 457429660 /nfs/dbraw/zinc/42/96/60/457429660.db2.gz MKXPCXVCBPBKPZ-BHDDXSALSA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000386208575 457429670 /nfs/dbraw/zinc/42/96/70/457429670.db2.gz MKXPCXVCBPBKPZ-BHDDXSALSA-N 1 3 336.479 3.179 10 0 EGAEHO CCCCCCNC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000369878922 457441605 /nfs/dbraw/zinc/44/16/05/457441605.db2.gz VTHGWMFILJIMEQ-UHFFFAOYSA-N 1 3 348.457 3.486 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000397625317 457489605 /nfs/dbraw/zinc/48/96/05/457489605.db2.gz XSNTZMOWQMFNIZ-RUYXUALKSA-N 1 3 330.516 3.428 10 0 EGAEHO OC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000403697138 457534922 /nfs/dbraw/zinc/53/49/22/457534922.db2.gz SOZCQPKATVNJJQ-HSALFYBXSA-N 1 3 328.500 3.039 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412697 457539770 /nfs/dbraw/zinc/53/97/70/457539770.db2.gz BYUDJSWJBAQNBH-PKOBYXMFSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412697 457539775 /nfs/dbraw/zinc/53/97/75/457539775.db2.gz BYUDJSWJBAQNBH-PKOBYXMFSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511679 457763156 /nfs/dbraw/zinc/76/31/56/457763156.db2.gz URYNUQVEOGYRBN-KURKYZTESA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361511679 457763160 /nfs/dbraw/zinc/76/31/60/457763160.db2.gz URYNUQVEOGYRBN-KURKYZTESA-N 1 3 335.536 3.020 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@H]21 ZINC000375794879 458069035 /nfs/dbraw/zinc/06/90/35/458069035.db2.gz WELHMYDXUBYXJX-CEXWTWQISA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@H]21 ZINC000375794879 458069039 /nfs/dbraw/zinc/06/90/39/458069039.db2.gz WELHMYDXUBYXJX-CEXWTWQISA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@H]21 ZINC000375794879 458069044 /nfs/dbraw/zinc/06/90/44/458069044.db2.gz WELHMYDXUBYXJX-CEXWTWQISA-N 1 3 328.504 3.034 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000358555413 458073757 /nfs/dbraw/zinc/07/37/57/458073757.db2.gz AEOZPMFTVMAZMT-PWRODBHTSA-N 1 3 342.527 3.429 10 0 EGAEHO FC(F)(F)CCN1CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000376028667 458168789 /nfs/dbraw/zinc/16/87/89/458168789.db2.gz KPTYKSIUCICJRD-UHFFFAOYSA-N 1 3 333.442 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423521676 458449652 /nfs/dbraw/zinc/44/96/52/458449652.db2.gz GLCKDLHMCKNUSZ-QVVGYRBSSA-N 1 3 341.499 3.147 10 0 EGAEHO C[C@@H](c1ccccc1)N1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465512 458500574 /nfs/dbraw/zinc/50/05/74/458500574.db2.gz LJIIKHYRKCUUSO-FNOBOGDDSA-N 1 3 327.516 3.428 10 0 EGAEHO CC[C@H](c1ccccc1)N(CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000520174615 459035213 /nfs/dbraw/zinc/03/52/13/459035213.db2.gz RBQBJVPKRMXXGN-HXUWFJFHSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123145 459074355 /nfs/dbraw/zinc/07/43/55/459074355.db2.gz NTMXRFYHIMMZEL-HZMVEIRTSA-N 1 3 339.524 3.094 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917842 459772403 /nfs/dbraw/zinc/77/24/03/459772403.db2.gz UWKQNLVFFDPILA-IRXDYDNUSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917842 459772407 /nfs/dbraw/zinc/77/24/07/459772407.db2.gz UWKQNLVFFDPILA-IRXDYDNUSA-N 1 3 326.488 3.470 10 0 EGAEHO COCC1(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000574837982 459880271 /nfs/dbraw/zinc/88/02/71/459880271.db2.gz XOBHJAUZWNMPRU-UHFFFAOYSA-N 1 3 340.552 3.451 10 0 EGAEHO COCC1([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000574837982 459880278 /nfs/dbraw/zinc/88/02/78/459880278.db2.gz XOBHJAUZWNMPRU-UHFFFAOYSA-N 1 3 340.552 3.451 10 0 EGAEHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599070618 460150607 /nfs/dbraw/zinc/15/06/07/460150607.db2.gz MAWFCQVDZOBRJQ-SJORKVTESA-N 1 3 326.525 3.456 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC000628478938 460432679 /nfs/dbraw/zinc/43/26/79/460432679.db2.gz VCMUWZILBMTPQC-UHFFFAOYSA-N 1 3 330.497 3.363 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000623378665 460517802 /nfs/dbraw/zinc/51/78/02/460517802.db2.gz KWJKWKKEWIEPDS-DOTOQJQBSA-N 1 3 329.488 3.337 10 0 EGAEHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(SCC(F)F)cc1 ZINC000629520306 460793250 /nfs/dbraw/zinc/79/32/50/460793250.db2.gz GBWGBEQUDGKYIT-GFCCVEGCSA-N 1 3 330.444 3.202 10 0 EGAEHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629521652 460794486 /nfs/dbraw/zinc/79/44/86/460794486.db2.gz QCUPXYQFXSCQJQ-ZDUSSCGKSA-N 1 3 331.485 3.277 10 0 EGAEHO [NH3+]CCCOCCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629536941 460798537 /nfs/dbraw/zinc/79/85/37/460798537.db2.gz HYMCXVXQMSXORE-OAHLLOKOSA-N 1 3 331.485 3.143 10 0 EGAEHO C[C@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN(C)C ZINC000623987847 460811827 /nfs/dbraw/zinc/81/18/27/460811827.db2.gz QDMPRJYZLSHTKB-MNOVXSKESA-N 1 3 337.817 3.472 10 0 EGAEHO C[C@H](CN[C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+](C)C ZINC000623987847 460811833 /nfs/dbraw/zinc/81/18/33/460811833.db2.gz QDMPRJYZLSHTKB-MNOVXSKESA-N 1 3 337.817 3.472 10 0 EGAEHO NC1(C[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CCOCC1 ZINC000629654062 460848928 /nfs/dbraw/zinc/84/89/28/460848928.db2.gz MCGBYLJMDONBMZ-UHFFFAOYSA-N 1 3 348.393 3.355 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@@H]1CCN(C)C1 ZINC000617556817 460906935 /nfs/dbraw/zinc/90/69/35/460906935.db2.gz YJFIHBUKDCBERJ-LJQANCHMSA-N 1 3 331.504 3.083 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@@H]1CCN(C)C1 ZINC000617556817 460906941 /nfs/dbraw/zinc/90/69/41/460906941.db2.gz YJFIHBUKDCBERJ-LJQANCHMSA-N 1 3 331.504 3.083 10 0 EGAEHO C[NH+]1CCC2(CC1)CN(CCCCc1cccc(Cl)c1)CCO2 ZINC000621312528 460984517 /nfs/dbraw/zinc/98/45/17/460984517.db2.gz YKBOGLILMMKYKA-UHFFFAOYSA-N 1 3 336.907 3.459 10 0 EGAEHO CCC[NH+]1CCC(CNCc2ccnn2CCc2ccccc2)CC1 ZINC000621333917 460993052 /nfs/dbraw/zinc/99/30/52/460993052.db2.gz WVCWMFKMOVFDTG-UHFFFAOYSA-N 1 3 340.515 3.337 10 0 EGAEHO FC(F)(F)c1ccccc1CN(C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250427 461144553 /nfs/dbraw/zinc/14/45/53/461144553.db2.gz HSBOUKKNCLTLCM-OAHLLOKOSA-N 1 3 340.389 3.191 10 0 EGAEHO c1ccc(N2CC[C@@H](C[N@H+]3CC[C@@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122050 461256710 /nfs/dbraw/zinc/25/67/10/461256710.db2.gz KJAFNZBQZOUCJE-PMACEKPBSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122050 461256717 /nfs/dbraw/zinc/25/67/17/461256717.db2.gz KJAFNZBQZOUCJE-PMACEKPBSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@@H](CN3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122050 461256723 /nfs/dbraw/zinc/25/67/23/461256723.db2.gz KJAFNZBQZOUCJE-PMACEKPBSA-N 1 3 327.516 3.321 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660006472 461541135 /nfs/dbraw/zinc/54/11/35/461541135.db2.gz OIJSCXVYPYVNBN-DOTOQJQBSA-N 1 3 330.463 3.387 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660006472 461541147 /nfs/dbraw/zinc/54/11/47/461541147.db2.gz OIJSCXVYPYVNBN-DOTOQJQBSA-N 1 3 330.463 3.387 10 0 EGAEHO [NH3+][C@H]1CCO[C@H](C2CCN(CCCc3c(F)cccc3F)CC2)C1 ZINC000655940657 461546727 /nfs/dbraw/zinc/54/67/27/461546727.db2.gz VHXASQAJLBZQQP-KXBFYZLASA-N 1 3 338.442 3.116 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)[C@H](c2ccccc2)C1 ZINC000647249393 461587546 /nfs/dbraw/zinc/58/75/46/461587546.db2.gz XFZKSGBXCBXLHE-MOPGFXCFSA-N 1 3 338.499 3.209 10 0 EGAEHO CCOc1c(OC)cc(CNCc2ccccc2C[NH2+]C)cc1OC ZINC000650718829 461911923 /nfs/dbraw/zinc/91/19/23/461911923.db2.gz XJFYHVABEGEQLY-UHFFFAOYSA-N 1 3 344.455 3.112 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(C)cc1-c1cnn(C)c1 ZINC000650720307 461913344 /nfs/dbraw/zinc/91/33/44/461913344.db2.gz LDGUNMMDHZDELZ-UHFFFAOYSA-N 1 3 334.467 3.405 10 0 EGAEHO [NH3+]CC1(CCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000650745902 461930762 /nfs/dbraw/zinc/93/07/62/461930762.db2.gz QOINVNMAIZPBJB-ZDUSSCGKSA-N 1 3 327.241 3.294 10 0 EGAEHO c1nc(C2CC2)sc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535845 462170352 /nfs/dbraw/zinc/17/03/52/462170352.db2.gz SGNVMLGXDGDRJL-UHFFFAOYSA-N 1 3 335.517 3.001 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(F)cc3)cc2)C1 ZINC000657595408 462197324 /nfs/dbraw/zinc/19/73/24/462197324.db2.gz ICXOSTMXHUAPDS-XASPDOEXSA-N 1 3 340.442 3.195 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc4c3CCC4)cc2)C1 ZINC000657595588 462197809 /nfs/dbraw/zinc/19/78/09/462197809.db2.gz IVGRQRQLADSPSY-NRFANRHFSA-N 1 3 336.479 3.032 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4c3CCC4)cc2)C1 ZINC000657595588 462197817 /nfs/dbraw/zinc/19/78/17/462197817.db2.gz IVGRQRQLADSPSY-NRFANRHFSA-N 1 3 336.479 3.032 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000658097545 462384003 /nfs/dbraw/zinc/38/40/03/462384003.db2.gz UOAIFPBPSAOARD-AHRSYUTCSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000658097545 462384009 /nfs/dbraw/zinc/38/40/09/462384009.db2.gz UOAIFPBPSAOARD-AHRSYUTCSA-N 1 3 338.536 3.061 10 0 EGAEHO FC1(F)C[C@]12CCN(Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000652062275 462422525 /nfs/dbraw/zinc/42/25/25/462422525.db2.gz DXAPNYIRMYDMSZ-SFHVURJKSA-N 1 3 336.426 3.392 10 0 EGAEHO O[C@H]1CCCN(CCC[NH+]2CCCCC2)[C@@H]1CCc1ccccc1 ZINC000646073781 462509878 /nfs/dbraw/zinc/50/98/78/462509878.db2.gz IZENLCBFFFUVAW-RTWAWAEBSA-N 1 3 330.516 3.321 10 0 EGAEHO Cc1cc([C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C2CC2)ccc1F ZINC000678687443 576169309 /nfs/dbraw/zinc/16/93/09/576169309.db2.gz YSQWNENQJADZFO-WIYYLYMNSA-N 1 3 345.506 3.343 10 0 EGAEHO CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OC ZINC000075780831 1292410740 /nfs/dbraw/zinc/41/07/40/1292410740.db2.gz FKCCHKUXMMFKNV-CYBMUJFWSA-N 1 3 338.879 3.321 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(-c2ccc(C)o2)s1 ZINC000129204764 1293617346 /nfs/dbraw/zinc/61/73/46/1293617346.db2.gz GGTKKGQHWGUZSO-CQSZACIVSA-N 1 3 337.489 3.158 10 0 EGAEHO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1scnc1C)CC2 ZINC000169782605 1294372457 /nfs/dbraw/zinc/37/24/57/1294372457.db2.gz HGWFITHSUXEYKO-INIZCTEOSA-N 1 3 349.544 3.164 10 0 EGAEHO COC[C@@H]1C[N@H+](C2CCC2)CC12CCN(Cc1scnc1C)CC2 ZINC000169782605 1294372461 /nfs/dbraw/zinc/37/24/61/1294372461.db2.gz HGWFITHSUXEYKO-INIZCTEOSA-N 1 3 349.544 3.164 10 0 EGAEHO C[C@H](NC(=O)CN(C)CCCCCC[NH3+])c1ccc2ccccc2c1 ZINC000872154768 1296771682 /nfs/dbraw/zinc/77/16/82/1296771682.db2.gz AFJDOJRZFYAOCS-KRWDZBQOSA-N 1 3 341.499 3.468 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC000300529833 1296783774 /nfs/dbraw/zinc/78/37/74/1296783774.db2.gz NUEHMLFGEKONDJ-UMVBOHGHSA-N 1 3 325.294 3.439 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC000300529833 1296783790 /nfs/dbraw/zinc/78/37/90/1296783790.db2.gz NUEHMLFGEKONDJ-UMVBOHGHSA-N 1 3 325.294 3.439 10 0 EGAEHO [NH3+][C@@H]1C[C@H](NCC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523633 1325190075 /nfs/dbraw/zinc/19/00/75/1325190075.db2.gz URPUDANDVAHSNJ-CABCVRRESA-N 1 3 335.289 3.340 10 0 EGAEHO OCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886593917 1303516108 /nfs/dbraw/zinc/51/61/08/1303516108.db2.gz BQJLTJKZBDRGCP-UQVNRYHBSA-N 1 3 328.500 3.180 10 0 EGAEHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930117720 1328790087 /nfs/dbraw/zinc/79/00/87/1328790087.db2.gz WHUACIFZNTWRMO-CVEARBPZSA-N 1 3 330.394 3.290 10 0 EGAEHO CCCC[N@H+](C[C@@H](OC)[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034350 1329034041 /nfs/dbraw/zinc/03/40/41/1329034041.db2.gz ROYAKBUCUNDAAF-SJLPKXTDSA-N 1 3 340.552 3.449 10 0 EGAEHO CCCC[N@@H+](C[C@@H](OC)[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034350 1329034045 /nfs/dbraw/zinc/03/40/45/1329034045.db2.gz ROYAKBUCUNDAAF-SJLPKXTDSA-N 1 3 340.552 3.449 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCN(C(C)C)C2)n(C)n1 ZINC000924960760 1323229401 /nfs/dbraw/zinc/22/94/01/1323229401.db2.gz RVYAZHUOEFZCNC-HBFSDRIKSA-N 1 3 332.536 3.150 10 0 EGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc([O-])cc(F)c1 ZINC000925156372 1325069130 /nfs/dbraw/zinc/06/91/30/1325069130.db2.gz OKUDAXSRXKSBNZ-MRXNPFEDSA-N 1 3 349.494 3.132 10 0 EGAEHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(OC)n1 ZINC000925439061 1325149784 /nfs/dbraw/zinc/14/97/84/1325149784.db2.gz HSZCADMPRIBLIW-ULQDDVLXSA-N 1 3 335.492 3.020 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925487835 1325173735 /nfs/dbraw/zinc/17/37/35/1325173735.db2.gz XORGSFHPWJXGOC-OYYCAODRSA-N 1 3 349.469 3.157 10 0 EGAEHO CC1CCN([C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506425 1325181716 /nfs/dbraw/zinc/18/17/16/1325181716.db2.gz ZAXDHTZQFGMODZ-NJAFHUGGSA-N 1 3 333.545 3.381 10 0 EGAEHO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925516572 1325187220 /nfs/dbraw/zinc/18/72/20/1325187220.db2.gz DQSTYWNSBANNFF-ZWKOTPCHSA-N 1 3 326.488 3.103 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000925561743 1325210096 /nfs/dbraw/zinc/21/00/96/1325210096.db2.gz DNYGTSRCCJFGDT-VLQPXKRTSA-N 1 3 331.479 3.018 10 0 EGAEHO COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)c21 ZINC000925627172 1325238328 /nfs/dbraw/zinc/23/83/28/1325238328.db2.gz AAAUQKPWMWKZPH-QZTJIDSGSA-N 1 3 341.499 3.477 10 0 EGAEHO [NH3+][C@H]1C[C@@H](NCC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728971 1325273086 /nfs/dbraw/zinc/27/30/86/1325273086.db2.gz GLIHKEQIMWPCTJ-LSDHHAIUSA-N 1 3 335.289 3.340 10 0 EGAEHO CC(C)[C@H](COCc1ccccc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925777749 1325297297 /nfs/dbraw/zinc/29/72/97/1325297297.db2.gz QGCLGVCJXJKPDS-SJORKVTESA-N 1 3 326.431 3.062 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000925783953 1325300265 /nfs/dbraw/zinc/30/02/65/1325300265.db2.gz QAIGMVORMSZBJP-BXUZGUMPSA-N 1 3 345.231 3.271 10 0 EGAEHO [NH3+]C1CCN(CCN[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000925815447 1325314069 /nfs/dbraw/zinc/31/40/69/1325314069.db2.gz QZQLYYUTIPUVRE-HXUWFJFHSA-N 1 3 343.902 3.442 10 0 EGAEHO C[C@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000926854643 1327741796 /nfs/dbraw/zinc/74/17/96/1327741796.db2.gz DXKWCAAIDIDKEJ-INIZCTEOSA-N 1 3 345.512 3.211 10 0 EGAEHO COc1cncc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1C ZINC000865555362 1329713282 /nfs/dbraw/zinc/71/32/82/1329713282.db2.gz YHGXNODNEZIWCU-NRFANRHFSA-N 1 3 339.483 3.400 10 0 EGAEHO C[NH+](C)C1(C)CCC(NCc2cccnc2Br)CC1 ZINC000865764660 1329736334 /nfs/dbraw/zinc/73/63/34/1329736334.db2.gz KOFYEBOVJKQESA-UHFFFAOYSA-N 1 3 326.282 3.197 10 0 EGAEHO Cc1nn(C)c(Cl)c1CNCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773678 1329736848 /nfs/dbraw/zinc/73/68/48/1329736848.db2.gz HLJKJJMAPMDJKY-UHFFFAOYSA-N 1 3 346.906 3.135 10 0 EGAEHO C[NH+]1CCC(CNCc2nc3c(s2)CCC3)(c2ccccc2)CC1 ZINC000865774569 1329736999 /nfs/dbraw/zinc/73/69/99/1329736999.db2.gz XJDITILYUYYDOZ-UHFFFAOYSA-N 1 3 341.524 3.385 10 0 EGAEHO OC1C2CCCC1C[NH+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC001323324498 1387337997 /nfs/dbraw/zinc/33/79/97/1387337997.db2.gz WFBDLTIOIVFZSY-KBPBESRZSA-N 1 3 331.847 3.323 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001324496022 1387649620 /nfs/dbraw/zinc/64/96/20/1387649620.db2.gz SPRNETOQMUMAPD-AEFFLSMTSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001324797711 1387775898 /nfs/dbraw/zinc/77/58/98/1387775898.db2.gz KJPDXLLYVQWCMH-QUCCMNQESA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960681 1387855386 /nfs/dbraw/zinc/85/53/86/1387855386.db2.gz IGJDXAHWJKOJRK-WIYYLYMNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960681 1387855394 /nfs/dbraw/zinc/85/53/94/1387855394.db2.gz IGJDXAHWJKOJRK-WIYYLYMNSA-N 1 3 349.563 3.269 10 0 EGAEHO c1cc(N2CCC[N@@H+](C[C@H]3CCCC34CCOCC4)CC2)ccn1 ZINC001195534229 1368450823 /nfs/dbraw/zinc/45/08/23/1368450823.db2.gz AVPFFDDECIJKLI-GOSISDBHSA-N 1 3 329.488 3.191 10 0 EGAEHO c1cc(N2CCC[N@H+](C[C@H]3CCCC34CCOCC4)CC2)ccn1 ZINC001195534229 1368450824 /nfs/dbraw/zinc/45/08/24/1368450824.db2.gz AVPFFDDECIJKLI-GOSISDBHSA-N 1 3 329.488 3.191 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001264122070 1377140194 /nfs/dbraw/zinc/14/01/94/1377140194.db2.gz FUFSKVJGENOSFF-RTBURBONSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001266103021 1377187185 /nfs/dbraw/zinc/18/71/85/1377187185.db2.gz NYTRCPDPCRFWDN-DLBZAZTESA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001266103021 1377187189 /nfs/dbraw/zinc/18/71/89/1377187189.db2.gz NYTRCPDPCRFWDN-DLBZAZTESA-N 1 3 325.541 3.076 10 0 EGAEHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741543 1377523316 /nfs/dbraw/zinc/52/33/16/1377523316.db2.gz TZGPBBFEYFGWSL-ADYSOMBNSA-N 1 3 343.515 3.011 10 0 EGAEHO CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)N(C)C ZINC001269570661 1377559065 /nfs/dbraw/zinc/55/90/65/1377559065.db2.gz PFOXDJHDDUOUEW-XVLXNVKGSA-N 1 3 337.552 3.409 10 0 EGAEHO Cc1cccc(CN(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001272152605 1377658491 /nfs/dbraw/zinc/65/84/91/1377658491.db2.gz YVOBOABMXUQNON-WOJBJXKFSA-N 1 3 345.531 3.006 10 0 EGAEHO CCCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001281912570 1378456800 /nfs/dbraw/zinc/45/68/00/1378456800.db2.gz OCFAQTXBPYQQBA-VAMGGRTRSA-N 1 3 345.531 3.135 10 0 EGAEHO C[C@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001283188513 1378756947 /nfs/dbraw/zinc/75/69/47/1378756947.db2.gz IBOWIPSJKPXUSK-UZLBHIALSA-N 1 3 343.515 3.033 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001284104216 1379476964 /nfs/dbraw/zinc/47/69/64/1379476964.db2.gz WUDSVRSMXYKZKF-UFYCRDLUSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284558482 1379967361 /nfs/dbraw/zinc/96/73/61/1379967361.db2.gz MPDQEAOOSQAQTD-AEFFLSMTSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284558482 1379967363 /nfs/dbraw/zinc/96/73/63/1379967363.db2.gz MPDQEAOOSQAQTD-AEFFLSMTSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001284652985 1380068149 /nfs/dbraw/zinc/06/81/49/1380068149.db2.gz OJQOGLXUOMUGOT-GOSISDBHSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001284653594 1380069884 /nfs/dbraw/zinc/06/98/84/1380069884.db2.gz SSOOYSUUEGGKKK-RTBURBONSA-N 1 3 345.531 3.135 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284724328 1380144993 /nfs/dbraw/zinc/14/49/93/1380144993.db2.gz VHYBPIQEFFYPQI-FNYRVFDFSA-N 1 3 349.563 3.291 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001328693176 1388810463 /nfs/dbraw/zinc/81/04/63/1388810463.db2.gz DXTNVCIZYUGEFG-VAMGGRTRSA-N 1 3 345.531 3.135 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[N@H+](CCOCC4CCCC4)C[C@@H]3C2)cc1 ZINC001169899912 1384196150 /nfs/dbraw/zinc/19/61/50/1384196150.db2.gz KEOCWLOARWUFJJ-OYRHEFFESA-N 1 3 328.500 3.257 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[N@@H+](CCOCC4CCCC4)C[C@@H]3C2)cc1 ZINC001169899912 1384196153 /nfs/dbraw/zinc/19/61/53/1384196153.db2.gz KEOCWLOARWUFJJ-OYRHEFFESA-N 1 3 328.500 3.257 10 0 EGAEHO CC1CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)C(C)(C)N3CCCC3)C2)CC1 ZINC001316619012 1384484855 /nfs/dbraw/zinc/48/48/55/1384484855.db2.gz AFONLVOXLYKWPC-YHFFBGSDSA-N 1 3 349.563 3.172 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001329057934 1388949116 /nfs/dbraw/zinc/94/91/16/1388949116.db2.gz XOTXAZVDYJKRFA-QZTJIDSGSA-N 1 3 345.531 3.079 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21)CC(C)(C)C ZINC001317105975 1384869513 /nfs/dbraw/zinc/86/95/13/1384869513.db2.gz PKCRICVMHYECBB-MOPGFXCFSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21)CC(C)(C)C ZINC001317105975 1384869514 /nfs/dbraw/zinc/86/95/14/1384869514.db2.gz PKCRICVMHYECBB-MOPGFXCFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241637 1385014298 /nfs/dbraw/zinc/01/42/98/1385014298.db2.gz MOFBZRNFLYTQOL-UZLBHIALSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407038 1385119135 /nfs/dbraw/zinc/11/91/35/1385119135.db2.gz VFDVUKUPQCAWLW-HNAYVOBHSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001317415166 1385125242 /nfs/dbraw/zinc/12/52/42/1385125242.db2.gz IUZAYQSGMUZRCQ-GJZGRUSLSA-N 1 3 339.911 3.226 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCCC1 ZINC001317507462 1385215409 /nfs/dbraw/zinc/21/54/09/1385215409.db2.gz ZSSGUYAYTSDTGT-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCCC1 ZINC001317507462 1385215414 /nfs/dbraw/zinc/21/54/14/1385215414.db2.gz ZSSGUYAYTSDTGT-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514355 1385228232 /nfs/dbraw/zinc/22/82/32/1385228232.db2.gz UWCRLURBRPYPTG-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514355 1385228233 /nfs/dbraw/zinc/22/82/33/1385228233.db2.gz UWCRLURBRPYPTG-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)N1CCCCC1 ZINC001318301324 1385645615 /nfs/dbraw/zinc/64/56/15/1385645615.db2.gz PNZOCGLBLUTSFI-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)N1CCCCC1 ZINC001318301324 1385645630 /nfs/dbraw/zinc/64/56/30/1385645630.db2.gz PNZOCGLBLUTSFI-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCC2CCCC2)CC1 ZINC001318906842 1385877593 /nfs/dbraw/zinc/87/75/93/1385877593.db2.gz FAGVWXCANNYNRR-HXUWFJFHSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001318956113 1385895397 /nfs/dbraw/zinc/89/53/97/1385895397.db2.gz KUCLMBZBPGQARP-GUDVDZBRSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001319142083 1385976063 /nfs/dbraw/zinc/97/60/63/1385976063.db2.gz KWBLUWGKPOAMJL-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)CCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001319142083 1385976069 /nfs/dbraw/zinc/97/60/69/1385976069.db2.gz KWBLUWGKPOAMJL-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250297 1386025001 /nfs/dbraw/zinc/02/50/01/1386025001.db2.gz KREQZIDWYLUHRW-FUHWJXTLSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001319376918 1386090192 /nfs/dbraw/zinc/09/01/92/1386090192.db2.gz DCOZHHUCFVLSTK-GOSISDBHSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001319633096 1386220657 /nfs/dbraw/zinc/22/06/57/1386220657.db2.gz DPQBSDOVHYORPT-IEBWSBKVSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001319633095 1386220998 /nfs/dbraw/zinc/22/09/98/1386220998.db2.gz DPQBSDOVHYORPT-HKUYNNGSSA-N 1 3 337.552 3.029 10 0 EGAEHO OC1C2CCCC1C[NH+](Cc1cnn(Cc3ccccc3)c1Cl)C2 ZINC001321724021 1386967333 /nfs/dbraw/zinc/96/73/33/1386967333.db2.gz FETFDJNAVOTBAX-HOTGVXAUSA-N 1 3 345.874 3.178 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccc2c(c1)COC2)NC(=O)[C@H]1CC2CCC1CC2 ZINC001321755742 1386975887 /nfs/dbraw/zinc/97/58/87/1386975887.db2.gz FIODBJDNVWXYRE-LJYIRPFDSA-N 1 3 342.483 3.137 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C/C=C\c1ccccc1 ZINC001322845081 1387245484 /nfs/dbraw/zinc/24/54/84/1387245484.db2.gz WLPUGRAZHFGKMT-CXOXVUTBSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001329316729 1389059487 /nfs/dbraw/zinc/05/94/87/1389059487.db2.gz POZLEHOMVLQIDD-NRFANRHFSA-N 1 3 343.515 3.120 10 0 EGAEHO CCCCC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001698726916 1406377613 /nfs/dbraw/zinc/37/76/13/1406377613.db2.gz JZICCLFOWYLMLK-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001698735430 1406385288 /nfs/dbraw/zinc/38/52/88/1406385288.db2.gz IEDGDODWUURAMJ-WAYWQWQTSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001698735430 1406385293 /nfs/dbraw/zinc/38/52/93/1406385293.db2.gz IEDGDODWUURAMJ-WAYWQWQTSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001332158100 1390010994 /nfs/dbraw/zinc/01/09/94/1390010994.db2.gz KDLQQFLVDROJGZ-XUVXKRRUSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698759952 1406413761 /nfs/dbraw/zinc/41/37/61/1406413761.db2.gz FVWXTVOREDVXMH-CVEARBPZSA-N 1 3 349.494 3.103 10 0 EGAEHO CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001332404822 1390107923 /nfs/dbraw/zinc/10/79/23/1390107923.db2.gz MLOHSWCDUWWHOC-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001332428433 1390114921 /nfs/dbraw/zinc/11/49/21/1390114921.db2.gz OZYZNUKZFJYARX-QZTJIDSGSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786684 1390188007 /nfs/dbraw/zinc/18/80/07/1390188007.db2.gz CWLMXTYFKVMSSY-RBUKOAKNSA-N 1 3 349.563 3.480 10 0 EGAEHO CC(C)(C)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1 ZINC001698799731 1406473367 /nfs/dbraw/zinc/47/33/67/1406473367.db2.gz JGKXSUKSPYYATF-UHFFFAOYSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001479337849 1392218934 /nfs/dbraw/zinc/21/89/34/1392218934.db2.gz FJLPQWXRLJEKRC-CEXWTWQISA-N 1 3 337.552 3.027 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cc(C)cc(C)c1 ZINC001479845849 1392427792 /nfs/dbraw/zinc/42/77/92/1392427792.db2.gz XUQWYSZHHBZYOD-UHFFFAOYSA-N 1 3 345.531 3.116 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cc(C)cc(C)c1 ZINC001479845849 1392427795 /nfs/dbraw/zinc/42/77/95/1392427795.db2.gz XUQWYSZHHBZYOD-UHFFFAOYSA-N 1 3 345.531 3.116 10 0 EGAEHO CC/C=C/CCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479957396 1392493698 /nfs/dbraw/zinc/49/36/98/1392493698.db2.gz XNQIYDFIMWBAGW-DKRLNXSXSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001479957396 1392493699 /nfs/dbraw/zinc/49/36/99/1392493699.db2.gz XNQIYDFIMWBAGW-DKRLNXSXSA-N 1 3 335.536 3.186 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001480813187 1392950757 /nfs/dbraw/zinc/95/07/57/1392950757.db2.gz GAUTWHFTHAQJCK-IEBWSBKVSA-N 1 3 337.552 3.316 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001481508645 1394356392 /nfs/dbraw/zinc/35/63/92/1394356392.db2.gz KEMDLNNYACCXSL-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001481508645 1394356396 /nfs/dbraw/zinc/35/63/96/1394356396.db2.gz KEMDLNNYACCXSL-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001482006962 1394666915 /nfs/dbraw/zinc/66/69/15/1394666915.db2.gz MELMAYYDKWKQMF-UHFFFAOYSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001482220943 1394814604 /nfs/dbraw/zinc/81/46/04/1394814604.db2.gz POCPDKFGJPVMBM-QGZVFWFLSA-N 1 3 349.544 3.141 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001482369997 1394931984 /nfs/dbraw/zinc/93/19/84/1394931984.db2.gz QWWPPZJVMGBZGH-QGZVFWFLSA-N 1 3 347.547 3.261 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)CN(C)C(C)C)c1 ZINC001482501207 1395053502 /nfs/dbraw/zinc/05/35/02/1395053502.db2.gz MMJYQKGENCOXEG-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001484320066 1395339102 /nfs/dbraw/zinc/33/91/02/1395339102.db2.gz HUAULWGFRCAWGP-OTWHNJEPSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001484320066 1395339105 /nfs/dbraw/zinc/33/91/05/1395339105.db2.gz HUAULWGFRCAWGP-OTWHNJEPSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)N(CC)CC ZINC001484463438 1395398019 /nfs/dbraw/zinc/39/80/19/1395398019.db2.gz JPGJLCXIWWLKLW-AQNXPRMDSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1)N(CC)CC ZINC001484463438 1395398024 /nfs/dbraw/zinc/39/80/24/1395398024.db2.gz JPGJLCXIWWLKLW-AQNXPRMDSA-N 1 3 349.563 3.362 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001484618163 1395452593 /nfs/dbraw/zinc/45/25/93/1395452593.db2.gz INMUCHAMORRDRR-CQQBRXBZSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001484831657 1395568712 /nfs/dbraw/zinc/56/87/12/1395568712.db2.gz TUHRXMROGVQAHJ-FQEVSTJZSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001484831657 1395568717 /nfs/dbraw/zinc/56/87/17/1395568717.db2.gz TUHRXMROGVQAHJ-FQEVSTJZSA-N 1 3 337.552 3.223 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978929 1395618816 /nfs/dbraw/zinc/61/88/16/1395618816.db2.gz KIIVXDAKANWWMA-PKOBYXMFSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CCCCC1 ZINC001484978929 1395618822 /nfs/dbraw/zinc/61/88/22/1395618822.db2.gz KIIVXDAKANWWMA-PKOBYXMFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1 ZINC001485780073 1396150048 /nfs/dbraw/zinc/15/00/48/1396150048.db2.gz RFNZIDMCAGJVSO-WOJBJXKFSA-N 1 3 345.531 3.497 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001486235237 1396185912 /nfs/dbraw/zinc/18/59/12/1396185912.db2.gz UXNMNKUSFYMKHA-KNJKRIMISA-N 1 3 337.552 3.146 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1=CCCCC1 ZINC001495751564 1396555784 /nfs/dbraw/zinc/55/57/84/1396555784.db2.gz CXELRKAREUHMIZ-ROUUACIJSA-N 1 3 335.536 3.093 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001495963804 1396580624 /nfs/dbraw/zinc/58/06/24/1396580624.db2.gz RHUILRSVDAQBGE-ROUUACIJSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180359 1396620428 /nfs/dbraw/zinc/62/04/28/1396620428.db2.gz YQGPSGJNMAPIPX-PKOBYXMFSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001689302719 1397027936 /nfs/dbraw/zinc/02/79/36/1397027936.db2.gz VYGQTNNVUXPEFT-CEXWTWQISA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001689302719 1397027938 /nfs/dbraw/zinc/02/79/38/1397027938.db2.gz VYGQTNNVUXPEFT-CEXWTWQISA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001499249940 1397068061 /nfs/dbraw/zinc/06/80/61/1397068061.db2.gz XCJQHFMJSIMLPM-KRWDZBQOSA-N 1 3 343.515 3.087 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001689363484 1403701011 /nfs/dbraw/zinc/70/10/11/1403701011.db2.gz URZSHFDUMSOSBO-AQRBRUGDSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001689363484 1403701012 /nfs/dbraw/zinc/70/10/12/1403701012.db2.gz URZSHFDUMSOSBO-AQRBRUGDSA-N 1 3 337.552 3.290 10 0 EGAEHO CCc1cccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001689891306 1404187383 /nfs/dbraw/zinc/18/73/83/1404187383.db2.gz WUDUPCLSAZTSRS-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CCc1cccc(C[N@H+](C)CCCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001689891306 1404187386 /nfs/dbraw/zinc/18/73/86/1404187386.db2.gz WUDUPCLSAZTSRS-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@H+](C)Cc1cccc2ccccc21 ZINC001689890635 1404187592 /nfs/dbraw/zinc/18/75/92/1404187592.db2.gz ANXIYEFFJWWTTO-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)Cc1cccc2ccccc21 ZINC001689890635 1404187594 /nfs/dbraw/zinc/18/75/94/1404187594.db2.gz ANXIYEFFJWWTTO-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108737 1404305509 /nfs/dbraw/zinc/30/55/09/1404305509.db2.gz OTUAMLWHBVGZFC-LJQANCHMSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001690131130 1404326204 /nfs/dbraw/zinc/32/62/04/1404326204.db2.gz NVSYEAHMZCLIGO-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CCC2=CCCCC2)C1 ZINC001690198847 1404409412 /nfs/dbraw/zinc/40/94/12/1404409412.db2.gz CYDLOKGPKQZVTO-HXUWFJFHSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2=CCCCC2)C1 ZINC001690198847 1404409415 /nfs/dbraw/zinc/40/94/15/1404409415.db2.gz CYDLOKGPKQZVTO-HXUWFJFHSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001690842916 1404772017 /nfs/dbraw/zinc/77/20/17/1404772017.db2.gz HKCVVVNKFDGAOU-QGZVFWFLSA-N 1 3 335.536 3.236 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732002055 1428212917 /nfs/dbraw/zinc/21/29/17/1428212917.db2.gz ZGVBOFWILSVRBU-VOFKWLDRSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)CCC(C)(C)C ZINC001691733332 1405455920 /nfs/dbraw/zinc/45/59/20/1405455920.db2.gz YJMRZZVAAZDEPZ-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)CCC(C)(C)C ZINC001691733332 1405455923 /nfs/dbraw/zinc/45/59/23/1405455923.db2.gz YJMRZZVAAZDEPZ-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)N1CCCCC1 ZINC001691874942 1405597541 /nfs/dbraw/zinc/59/75/41/1405597541.db2.gz RUJFPTLSJNPILW-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001692260971 1405891255 /nfs/dbraw/zinc/89/12/55/1405891255.db2.gz YYDVIGYFBJTPOI-IBGZPJMESA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001692260971 1405891262 /nfs/dbraw/zinc/89/12/62/1405891262.db2.gz YYDVIGYFBJTPOI-IBGZPJMESA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001692330919 1405949485 /nfs/dbraw/zinc/94/94/85/1405949485.db2.gz CAMRGISDQSZICX-INIZCTEOSA-N 1 3 345.531 3.045 10 0 EGAEHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001732202181 1428453073 /nfs/dbraw/zinc/45/30/73/1428453073.db2.gz YGLKUUJENDBOIM-SFHVURJKSA-N 1 3 345.531 3.081 10 0 EGAEHO CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001732280467 1428512617 /nfs/dbraw/zinc/51/26/17/1428512617.db2.gz XANUISRRSHDJOL-SFHVURJKSA-N 1 3 339.568 3.229 10 0 EGAEHO CCCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001732303502 1428520536 /nfs/dbraw/zinc/52/05/36/1428520536.db2.gz RIMDLWPFJPZSJQ-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001732449830 1428586492 /nfs/dbraw/zinc/58/64/92/1428586492.db2.gz UFYWWYMGVBQVRY-SFHVURJKSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001732491500 1428614164 /nfs/dbraw/zinc/61/41/64/1428614164.db2.gz QEUXZKWYCQMANA-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001699060936 1412492534 /nfs/dbraw/zinc/49/25/34/1412492534.db2.gz NOXXLJJZLSADAX-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CCN(CC[NH2+]Cc1ccsc1)C(=O)c1cccc(CN(C)C)c1 ZINC001699219437 1412584035 /nfs/dbraw/zinc/58/40/35/1412584035.db2.gz AMYHSHLVEFPVTA-UHFFFAOYSA-N 1 3 345.512 3.062 10 0 EGAEHO CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1CCCCN1CC ZINC001699220618 1412584667 /nfs/dbraw/zinc/58/46/67/1412584667.db2.gz XXMBUFLUMBWLKG-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001699307421 1412629982 /nfs/dbraw/zinc/62/99/82/1412629982.db2.gz GEHTUTCDHJGAPR-FRAJWHGFSA-N 1 3 337.895 3.003 10 0 EGAEHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC001699367892 1412673554 /nfs/dbraw/zinc/67/35/54/1412673554.db2.gz VVWBRHCLQSCLDC-KBRIMQKVSA-N 1 3 339.911 3.226 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443028 1412773803 /nfs/dbraw/zinc/77/38/03/1412773803.db2.gz SQWUCKVVKUBOAS-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001699443028 1412773806 /nfs/dbraw/zinc/77/38/06/1412773806.db2.gz SQWUCKVVKUBOAS-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001700103197 1413520915 /nfs/dbraw/zinc/52/09/15/1413520915.db2.gz QMJATPHPMMDFBE-FHWLQOOXSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)N(C)C ZINC001700103011 1413520934 /nfs/dbraw/zinc/52/09/34/1413520934.db2.gz KRNPQIRYDMTKLL-GUDVDZBRSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2CCCCC2)CCC1)N1CCCC1 ZINC001700137770 1413556354 /nfs/dbraw/zinc/55/63/54/1413556354.db2.gz SWETWKWNJGSQEP-UHFFFAOYSA-N 1 3 335.536 3.070 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1)CC(C)(C)C ZINC001700181202 1413594524 /nfs/dbraw/zinc/59/45/24/1413594524.db2.gz QKZZROUHDBHEEN-QGZVFWFLSA-N 1 3 343.531 3.075 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1)CC(C)(C)C ZINC001700181202 1413594527 /nfs/dbraw/zinc/59/45/27/1413594527.db2.gz QKZZROUHDBHEEN-QGZVFWFLSA-N 1 3 343.531 3.075 10 0 EGAEHO CN(CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001700193260 1413626470 /nfs/dbraw/zinc/62/64/70/1413626470.db2.gz UQVULUWMOVRLNP-ZWKOTPCHSA-N 1 3 349.544 3.045 10 0 EGAEHO CN(CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001700193260 1413626474 /nfs/dbraw/zinc/62/64/74/1413626474.db2.gz UQVULUWMOVRLNP-ZWKOTPCHSA-N 1 3 349.544 3.045 10 0 EGAEHO C[C@H]1CCC[C@H](CC[N@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203301 1413647280 /nfs/dbraw/zinc/64/72/80/1413647280.db2.gz KGTJZDBVFWLVGM-RBUKOAKNSA-N 1 3 337.552 3.079 10 0 EGAEHO C[C@H]1CCC[C@H](CC[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203301 1413647284 /nfs/dbraw/zinc/64/72/84/1413647284.db2.gz KGTJZDBVFWLVGM-RBUKOAKNSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001700381593 1413908457 /nfs/dbraw/zinc/90/84/57/1413908457.db2.gz HSSPDNCQIMKTEA-VIQWUECVSA-N 1 3 345.531 3.191 10 0 EGAEHO CN(CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1)C1CCC1 ZINC001700512419 1414161778 /nfs/dbraw/zinc/16/17/78/1414161778.db2.gz UTEVMIIYUCTAOG-UHFFFAOYSA-N 1 3 347.547 3.380 10 0 EGAEHO CCCCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001700619956 1414288317 /nfs/dbraw/zinc/28/83/17/1414288317.db2.gz RFQBBGRISCTQPO-UHFFFAOYSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001700619956 1414288315 /nfs/dbraw/zinc/28/83/15/1414288315.db2.gz RFQBBGRISCTQPO-UHFFFAOYSA-N 1 3 349.563 3.366 10 0 EGAEHO C[C@H](CCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001700684853 1414337670 /nfs/dbraw/zinc/33/76/70/1414337670.db2.gz SZQCYVJSLQZMAE-HZPDHXFCSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001700853979 1414501490 /nfs/dbraw/zinc/50/14/90/1414501490.db2.gz OWFSUGDHPAQSPS-XLIONFOSSA-N 1 3 345.531 3.377 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913429 1414566596 /nfs/dbraw/zinc/56/65/96/1414566596.db2.gz UAVCOZIAKXNMAI-OALUTQOASA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915280 1414568387 /nfs/dbraw/zinc/56/83/87/1414568387.db2.gz CLNHDKDXVDAEHJ-RBUKOAKNSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001732600306 1428848483 /nfs/dbraw/zinc/84/84/83/1428848483.db2.gz OEAPYQQPMSXOLM-UHFFFAOYSA-N 1 3 333.520 3.040 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001732600306 1428848485 /nfs/dbraw/zinc/84/84/85/1428848485.db2.gz OEAPYQQPMSXOLM-UHFFFAOYSA-N 1 3 333.520 3.040 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1 ZINC001733035865 1429160910 /nfs/dbraw/zinc/16/09/10/1429160910.db2.gz OUILUADHECNVPM-TYLQSNEBSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1 ZINC001733035865 1429160912 /nfs/dbraw/zinc/16/09/12/1429160912.db2.gz OUILUADHECNVPM-TYLQSNEBSA-N 1 3 343.515 3.011 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060267 1417176177 /nfs/dbraw/zinc/17/61/77/1417176177.db2.gz XPSWLOQVTHYQTR-PXDRNWIDSA-N 1 3 343.515 3.251 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001712952571 1417510404 /nfs/dbraw/zinc/51/04/04/1417510404.db2.gz PYDQPQMXBJVWLV-IRXDYDNUSA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001712952571 1417510406 /nfs/dbraw/zinc/51/04/06/1417510406.db2.gz PYDQPQMXBJVWLV-IRXDYDNUSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001713094591 1417643260 /nfs/dbraw/zinc/64/32/60/1417643260.db2.gz FLVXJWUWPTUATF-SFHVURJKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713240276 1417826204 /nfs/dbraw/zinc/82/62/04/1417826204.db2.gz GHGSIYRAOQJPHC-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001713418469 1418042554 /nfs/dbraw/zinc/04/25/54/1418042554.db2.gz CWSBAGOZIXJTNR-VQIMIIECSA-N 1 3 349.494 3.073 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001713438625 1418071024 /nfs/dbraw/zinc/07/10/24/1418071024.db2.gz GQLXWOCLURKQEZ-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001713438625 1418071026 /nfs/dbraw/zinc/07/10/26/1418071026.db2.gz GQLXWOCLURKQEZ-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713677084 1418429229 /nfs/dbraw/zinc/42/92/29/1418429229.db2.gz KOBFCGJSUPQFMA-LXXRFIIISA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1cccc(C[NH2+][C@@H](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001713684035 1418436641 /nfs/dbraw/zinc/43/66/41/1418436641.db2.gz GUDULXKSCNHTIN-SFHVURJKSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001733144175 1429261109 /nfs/dbraw/zinc/26/11/09/1429261109.db2.gz CZXWYVQNNRJHLI-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO C[C@H](c1ccccc1)N1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713926589 1418718496 /nfs/dbraw/zinc/71/84/96/1418718496.db2.gz PKUJCCIZIUSABX-GOSISDBHSA-N 1 3 343.515 3.062 10 0 EGAEHO CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001714104747 1418903420 /nfs/dbraw/zinc/90/34/20/1418903420.db2.gz UJZPJLYKNBEWNH-RTBURBONSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001714104747 1418903423 /nfs/dbraw/zinc/90/34/23/1418903423.db2.gz UJZPJLYKNBEWNH-RTBURBONSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275323 1419055988 /nfs/dbraw/zinc/05/59/88/1419055988.db2.gz YQLSZTOZTFHPJP-DNVCBOLYSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001714365469 1419125665 /nfs/dbraw/zinc/12/56/65/1419125665.db2.gz HBUMZXJNPAAIRO-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001714365469 1419125668 /nfs/dbraw/zinc/12/56/68/1419125668.db2.gz HBUMZXJNPAAIRO-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001714492956 1419216665 /nfs/dbraw/zinc/21/66/65/1419216665.db2.gz BGQBFTNYQICYGR-OOFWQKGWSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1)N(C)C ZINC001714510434 1419238145 /nfs/dbraw/zinc/23/81/45/1419238145.db2.gz ZQXJXUUFMDMYIX-INIZCTEOSA-N 1 3 325.541 3.172 10 0 EGAEHO CN(CC(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C\Cl)CC(C)(C)C ZINC001714527349 1419253253 /nfs/dbraw/zinc/25/32/53/1419253253.db2.gz MUPCDPWCVMAMEW-BJIFSAINSA-N 1 3 343.943 3.078 10 0 EGAEHO CN(CC(=O)NCCC[C@H]1CCC[N@H+]1C/C=C\Cl)CC(C)(C)C ZINC001714527349 1419253257 /nfs/dbraw/zinc/25/32/57/1419253257.db2.gz MUPCDPWCVMAMEW-BJIFSAINSA-N 1 3 343.943 3.078 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001714797753 1419513600 /nfs/dbraw/zinc/51/36/00/1419513600.db2.gz OIWHBENHVJRBCK-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001714840672 1419552928 /nfs/dbraw/zinc/55/29/28/1419552928.db2.gz XICWZYDRTNVSOU-SJLPKXTDSA-N 1 3 349.494 3.056 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001715410686 1420106997 /nfs/dbraw/zinc/10/69/97/1420106997.db2.gz IWRQLDPIKCVITE-XLIONFOSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN(CC[NH2+]CC[C@H]1CCC[C@H](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001715737844 1420319234 /nfs/dbraw/zinc/31/92/34/1420319234.db2.gz JKYSXGVCGOYEOO-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001715923222 1420399630 /nfs/dbraw/zinc/39/96/30/1420399630.db2.gz QXDYRTVRYWYGSD-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO C[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001716009275 1420462758 /nfs/dbraw/zinc/46/27/58/1420462758.db2.gz OEYROUPXLHFWIO-ADKAHSJRSA-N 1 3 345.531 3.282 10 0 EGAEHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001716025859 1420482883 /nfs/dbraw/zinc/48/28/83/1420482883.db2.gz PQYRAXSNJSGZFM-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001716025859 1420482884 /nfs/dbraw/zinc/48/28/84/1420482884.db2.gz PQYRAXSNJSGZFM-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001716028049 1420485506 /nfs/dbraw/zinc/48/55/06/1420485506.db2.gz IISYOXHIMHZYPO-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001716028049 1420485508 /nfs/dbraw/zinc/48/55/08/1420485508.db2.gz IISYOXHIMHZYPO-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001716452701 1420668206 /nfs/dbraw/zinc/66/82/06/1420668206.db2.gz NFYSPVBYYOYALV-ZWKOTPCHSA-N 1 3 347.547 3.437 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001716520363 1420749142 /nfs/dbraw/zinc/74/91/42/1420749142.db2.gz LCHDGTWJRPPEKS-DLBZAZTESA-N 1 3 348.535 3.352 10 0 EGAEHO CC[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001716566923 1420762937 /nfs/dbraw/zinc/76/29/37/1420762937.db2.gz BZAAHXHMLKYSGK-APWZRJJASA-N 1 3 349.494 3.057 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001716704651 1420859065 /nfs/dbraw/zinc/85/90/65/1420859065.db2.gz YOBTVHBUFXJFMN-ICSRJNTNSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001716704651 1420859068 /nfs/dbraw/zinc/85/90/68/1420859068.db2.gz YOBTVHBUFXJFMN-ICSRJNTNSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001716711059 1420863686 /nfs/dbraw/zinc/86/36/86/1420863686.db2.gz QJABUVSMSAFWQR-HSALFYBXSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001716711059 1420863689 /nfs/dbraw/zinc/86/36/89/1420863689.db2.gz QJABUVSMSAFWQR-HSALFYBXSA-N 1 3 349.563 3.361 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)CC1)CC2 ZINC001717130398 1421131491 /nfs/dbraw/zinc/13/14/91/1421131491.db2.gz SKSFGWZMKNQLFQ-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001717150222 1421141109 /nfs/dbraw/zinc/14/11/09/1421141109.db2.gz SKUJMZDRUHYKJN-IBGZPJMESA-N 1 3 347.547 3.378 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197812 1421164310 /nfs/dbraw/zinc/16/43/10/1421164310.db2.gz GKTWOMQTXVLVRO-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197812 1421164313 /nfs/dbraw/zinc/16/43/13/1421164313.db2.gz GKTWOMQTXVLVRO-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001717249083 1421220209 /nfs/dbraw/zinc/22/02/09/1421220209.db2.gz NYAHWXRGUBXWAZ-HXUWFJFHSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001717249083 1421220210 /nfs/dbraw/zinc/22/02/10/1421220210.db2.gz NYAHWXRGUBXWAZ-HXUWFJFHSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001717290058 1421237045 /nfs/dbraw/zinc/23/70/45/1421237045.db2.gz FWTBHXQZQACLIO-XLIONFOSSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001717348570 1421287448 /nfs/dbraw/zinc/28/74/48/1421287448.db2.gz MFVILWZDFYSLFJ-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001717412321 1421344161 /nfs/dbraw/zinc/34/41/61/1421344161.db2.gz DYGKQBZIDOKRLW-HZPDHXFCSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@H]1CCC[C@H](CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001717456851 1421385826 /nfs/dbraw/zinc/38/58/26/1421385826.db2.gz NBVDBUZMQWEZIE-DLBZAZTESA-N 1 3 348.535 3.243 10 0 EGAEHO Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001717490024 1421428385 /nfs/dbraw/zinc/42/83/85/1421428385.db2.gz DMAQKIOSDKBPNO-UYAOXDASSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001717490024 1421428387 /nfs/dbraw/zinc/42/83/87/1421428387.db2.gz DMAQKIOSDKBPNO-UYAOXDASSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC(C)CC1)C2 ZINC001717630187 1421539721 /nfs/dbraw/zinc/53/97/21/1421539721.db2.gz HTJHGTWINJULQK-UHFFFAOYSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC(C)CC1)C2 ZINC001717630187 1421539722 /nfs/dbraw/zinc/53/97/22/1421539722.db2.gz HTJHGTWINJULQK-UHFFFAOYSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001717756436 1421619612 /nfs/dbraw/zinc/61/96/12/1421619612.db2.gz FLWMEBZVDZMDBV-GJZGRUSLSA-N 1 3 339.911 3.178 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881863 1421685999 /nfs/dbraw/zinc/68/59/99/1421685999.db2.gz VXGFBADSRATXPJ-MOPGFXCFSA-N 1 3 349.563 3.339 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001717900983 1421697449 /nfs/dbraw/zinc/69/74/49/1421697449.db2.gz UMWXESCKNHDWPT-QGZVFWFLSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001733327318 1429512622 /nfs/dbraw/zinc/51/26/22/1429512622.db2.gz NCKCDMBBRYPCNS-IRXDYDNUSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC001733457699 1429678163 /nfs/dbraw/zinc/67/81/63/1429678163.db2.gz AOQLUQOKIOWCBY-ICSRJNTNSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)C)C1 ZINC001733457699 1429678167 /nfs/dbraw/zinc/67/81/67/1429678167.db2.gz AOQLUQOKIOWCBY-ICSRJNTNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001733459039 1429680390 /nfs/dbraw/zinc/68/03/90/1429680390.db2.gz LAEDTEMYPMXKRF-CXFSXTNSSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001733459039 1429680391 /nfs/dbraw/zinc/68/03/91/1429680391.db2.gz LAEDTEMYPMXKRF-CXFSXTNSSA-N 1 3 337.552 3.147 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001723544209 1424458213 /nfs/dbraw/zinc/45/82/13/1424458213.db2.gz DBKOSJLASQSYNK-KRWDZBQOSA-N 1 3 343.515 3.169 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723854406 1424585509 /nfs/dbraw/zinc/58/55/09/1424585509.db2.gz AWDVEQLGWHDKGL-WMZOPIPTSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001724325286 1424814063 /nfs/dbraw/zinc/81/40/63/1424814063.db2.gz XDKAXRYWGGVOMO-UYAOXDASSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001724325286 1424814068 /nfs/dbraw/zinc/81/40/68/1424814068.db2.gz XDKAXRYWGGVOMO-UYAOXDASSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001724753129 1425123890 /nfs/dbraw/zinc/12/38/90/1425123890.db2.gz YFVKBZXTZNEWDM-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001724760330 1425131257 /nfs/dbraw/zinc/13/12/57/1425131257.db2.gz WKNJGSZKBUILGV-GOSISDBHSA-N 1 3 343.515 3.012 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001724839985 1425188694 /nfs/dbraw/zinc/18/86/94/1425188694.db2.gz VPSSODOFAAWNLY-ZYHOBAKYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001724839985 1425188695 /nfs/dbraw/zinc/18/86/95/1425188695.db2.gz VPSSODOFAAWNLY-ZYHOBAKYSA-N 1 3 335.536 3.188 10 0 EGAEHO C[NH+](C)CCC(=O)NCc1ccc2c(c1)CN(CCC1CCCC1)C2 ZINC001724923435 1425311989 /nfs/dbraw/zinc/31/19/89/1425311989.db2.gz LRJTWDNABNDHOY-UHFFFAOYSA-N 1 3 343.515 3.150 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172344 1425682473 /nfs/dbraw/zinc/68/24/73/1425682473.db2.gz LBJNFERCKPTTNT-ROUUACIJSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172344 1425682474 /nfs/dbraw/zinc/68/24/74/1425682474.db2.gz LBJNFERCKPTTNT-ROUUACIJSA-N 1 3 345.531 3.367 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C)C1CN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269483 1425905299 /nfs/dbraw/zinc/90/52/99/1425905299.db2.gz SDDGQVBOJJSRKH-FXAWDEMLSA-N 1 3 347.547 3.044 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725339367 1425988252 /nfs/dbraw/zinc/98/82/52/1425988252.db2.gz SVDPYUXCAJENLR-VOTSOKGWSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725339367 1425988254 /nfs/dbraw/zinc/98/82/54/1425988254.db2.gz SVDPYUXCAJENLR-VOTSOKGWSA-N 1 3 347.547 3.142 10 0 EGAEHO C[C@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725361767 1426012526 /nfs/dbraw/zinc/01/25/26/1426012526.db2.gz XXGLBFVZIYVCBC-RDGPPVDQSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001725363354 1426012835 /nfs/dbraw/zinc/01/28/35/1426012835.db2.gz FZESJEYUHBHFJR-UFYCRDLUSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001725623009 1426288688 /nfs/dbraw/zinc/28/86/88/1426288688.db2.gz LHAGFAGNENTSMM-GBESFXJTSA-N 1 3 349.563 3.147 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625397 1426292427 /nfs/dbraw/zinc/29/24/27/1426292427.db2.gz COEUINOJJGTWJU-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001725684143 1426371937 /nfs/dbraw/zinc/37/19/37/1426371937.db2.gz YGDUJNIXVADTNU-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001725774145 1426457688 /nfs/dbraw/zinc/45/76/88/1426457688.db2.gz DPARAPGNGAAYTF-MSOLQXFVSA-N 1 3 347.547 3.045 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@@H](C)c2ccccc2F)CC[N@@H+]1C ZINC001731241280 1427197353 /nfs/dbraw/zinc/19/73/53/1427197353.db2.gz HJQYRMFTSWEGSH-VDZJLULYSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@@H](C)c2ccccc2F)CC[N@H+]1C ZINC001731241280 1427197354 /nfs/dbraw/zinc/19/73/54/1427197354.db2.gz HJQYRMFTSWEGSH-VDZJLULYSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001731374607 1427307345 /nfs/dbraw/zinc/30/73/45/1427307345.db2.gz MNJIZNWPXPFLMF-UXHICEINSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001731815455 1428009117 /nfs/dbraw/zinc/00/91/17/1428009117.db2.gz CPRYWROHDASVDC-QGZVFWFLSA-N 1 3 345.531 3.015 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001731815455 1428009121 /nfs/dbraw/zinc/00/91/21/1428009121.db2.gz CPRYWROHDASVDC-QGZVFWFLSA-N 1 3 345.531 3.015 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001733716143 1429935327 /nfs/dbraw/zinc/93/53/27/1429935327.db2.gz NOPVUHVZDWXLQT-LJQANCHMSA-N 1 3 349.563 3.460 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733777464 1430027787 /nfs/dbraw/zinc/02/77/87/1430027787.db2.gz NKVDRQONFBBLNM-SJORKVTESA-N 1 3 349.494 3.009 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001733777464 1430027800 /nfs/dbraw/zinc/02/78/00/1430027800.db2.gz NKVDRQONFBBLNM-SJORKVTESA-N 1 3 349.494 3.009 10 0 EGAEHO CCC(CC)[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001733782201 1430047908 /nfs/dbraw/zinc/04/79/08/1430047908.db2.gz ZWFYIPJBPYAYCG-FFZOFVMBSA-N 1 3 349.563 3.218 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001734038326 1437826452 /nfs/dbraw/zinc/82/64/52/1437826452.db2.gz AQHQYTLPLPEHLL-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001734038326 1437826455 /nfs/dbraw/zinc/82/64/55/1437826455.db2.gz AQHQYTLPLPEHLL-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001734187807 1437931160 /nfs/dbraw/zinc/93/11/60/1437931160.db2.gz HPMSPIUNPPFDTC-GPXQEHKYSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001734187807 1437931161 /nfs/dbraw/zinc/93/11/61/1437931161.db2.gz HPMSPIUNPPFDTC-GPXQEHKYSA-N 1 3 347.547 3.044 10 0 EGAEHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001734299159 1438030748 /nfs/dbraw/zinc/03/07/48/1438030748.db2.gz ANLOPLMOEIGCHH-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494735 1438131941 /nfs/dbraw/zinc/13/19/41/1438131941.db2.gz BXYPTLZICAXDFY-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001734579409 1438171985 /nfs/dbraw/zinc/17/19/85/1438171985.db2.gz UNSAIXVOMFIDKI-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000268807135 252260278 /nfs/dbraw/zinc/26/02/78/252260278.db2.gz ADJRAMVLHGPNQB-HNNXBMFYSA-N 1 3 345.487 3.019 10 0 EGAEHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OC(F)F ZINC000131812915 533658947 /nfs/dbraw/zinc/65/89/47/533658947.db2.gz BMEXLUIKCGTSHP-GOOCMWNKSA-N 1 3 340.414 3.402 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)ccn1 ZINC000341392762 285441760 /nfs/dbraw/zinc/44/17/60/285441760.db2.gz DZGDXCQRXYYTNK-SLFFLAALSA-N 1 3 343.515 3.483 10 0 EGAEHO CC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246525159 141013977 /nfs/dbraw/zinc/01/39/77/141013977.db2.gz UYQXTURJJIBELC-KBXCAEBGSA-N 1 3 331.435 3.343 10 0 EGAEHO CC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246525159 141013980 /nfs/dbraw/zinc/01/39/80/141013980.db2.gz UYQXTURJJIBELC-KBXCAEBGSA-N 1 3 331.435 3.343 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000338048692 141081246 /nfs/dbraw/zinc/08/12/46/141081246.db2.gz FNGBIEPDBQPNKH-IBGZPJMESA-N 1 3 331.504 3.133 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000338048692 141081247 /nfs/dbraw/zinc/08/12/47/141081247.db2.gz FNGBIEPDBQPNKH-IBGZPJMESA-N 1 3 331.504 3.133 10 0 EGAEHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000337412100 154340142 /nfs/dbraw/zinc/34/01/42/154340142.db2.gz XIXFMCQBOTVPEJ-GIVPXCGWSA-N 1 3 328.500 3.312 10 0 EGAEHO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350918024 165082074 /nfs/dbraw/zinc/08/20/74/165082074.db2.gz KYDYAXVLBDUYDM-GOSISDBHSA-N 1 3 345.531 3.086 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000360692238 167390179 /nfs/dbraw/zinc/39/01/79/167390179.db2.gz ZAICKUSRDRPZHT-LJQANCHMSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(N2CCOC2=O)cc1 ZINC000126478345 278337319 /nfs/dbraw/zinc/33/73/19/278337319.db2.gz SPQMFVDTKHHCCU-DJXYKJKZSA-N 1 3 343.471 3.309 10 0 EGAEHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCOC2=O)cc1 ZINC000126478345 278337320 /nfs/dbraw/zinc/33/73/20/278337320.db2.gz SPQMFVDTKHHCCU-DJXYKJKZSA-N 1 3 343.471 3.309 10 0 EGAEHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCCSC3)CC2)c1 ZINC000131092598 307638432 /nfs/dbraw/zinc/63/84/32/307638432.db2.gz XZHLHYZTNLHPQA-IBGZPJMESA-N 1 3 347.572 3.382 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199445 309066563 /nfs/dbraw/zinc/06/65/63/309066563.db2.gz XBABVFRFQMFNPA-SJORKVTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199445 309066564 /nfs/dbraw/zinc/06/65/64/309066564.db2.gz XBABVFRFQMFNPA-SJORKVTESA-N 1 3 326.488 3.470 10 0 EGAEHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414305060 309071854 /nfs/dbraw/zinc/07/18/54/309071854.db2.gz NAIDRWITZCIOBD-PMACEKPBSA-N 1 3 330.516 3.428 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248413351 308002248 /nfs/dbraw/zinc/00/22/48/308002248.db2.gz GBELUUYWXJZPFY-CVEARBPZSA-N 1 3 341.499 3.355 10 0 EGAEHO CC(C)C[C@@H](C[NH3+])N[C@H](C)Cc1ccc(Br)cc1F ZINC000414855534 309105746 /nfs/dbraw/zinc/10/57/46/309105746.db2.gz WWIUUEAQKFGHNF-RISCZKNCSA-N 1 3 331.273 3.482 10 0 EGAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942811 309110532 /nfs/dbraw/zinc/11/05/32/309110532.db2.gz MZFATOORQOCERY-FZKQIMNGSA-N 1 3 339.886 3.031 10 0 EGAEHO CC(C)C[C@H](N)C[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415076012 309118424 /nfs/dbraw/zinc/11/84/24/309118424.db2.gz CEVYSRKOGRIHFF-KPFFTGBYSA-N 1 3 334.504 3.275 10 0 EGAEHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000415908577 309147700 /nfs/dbraw/zinc/14/77/00/309147700.db2.gz DHQPEAOZYKZMQL-MRXNPFEDSA-N 1 3 340.471 3.048 10 0 EGAEHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416022379 309155043 /nfs/dbraw/zinc/15/50/43/309155043.db2.gz YYLKUPPDSHMDBC-SUMWQHHRSA-N 1 3 342.443 3.134 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726631 309365293 /nfs/dbraw/zinc/36/52/93/309365293.db2.gz FQJXDDAVGDCPIJ-INIZCTEOSA-N 1 3 338.499 3.164 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422779951 309367909 /nfs/dbraw/zinc/36/79/09/309367909.db2.gz CLKVJLHIRLSYPS-VSZNYVQBSA-N 1 3 332.488 3.363 10 0 EGAEHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836699 309371155 /nfs/dbraw/zinc/37/11/55/309371155.db2.gz RSYZAJLANUIASG-NJDAHSKKSA-N 1 3 338.499 3.332 10 0 EGAEHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(Cl)c1 ZINC000422892394 309374656 /nfs/dbraw/zinc/37/46/56/309374656.db2.gz YGLMHCPOSWAAFO-LIRRHRJNSA-N 1 3 332.875 3.439 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423293634 309394364 /nfs/dbraw/zinc/39/43/64/309394364.db2.gz RUTIOFHACSIDQR-HOTGVXAUSA-N 1 3 325.456 3.238 10 0 EGAEHO CN(C)CCOc1ccc(CC[NH2+]Cc2cc3cccnc3o2)cc1 ZINC000449124555 310038810 /nfs/dbraw/zinc/03/88/10/310038810.db2.gz GUJMUEXWLVIFCP-UHFFFAOYSA-N 1 3 339.439 3.101 10 0 EGAEHO CCNC(=O)C(C)(C)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449214098 310045107 /nfs/dbraw/zinc/04/51/07/310045107.db2.gz VXEARIBBESNFMI-UHFFFAOYSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC2(O)CCOCC2)CC1 ZINC000449323504 310053549 /nfs/dbraw/zinc/05/35/49/310053549.db2.gz VTHQGVJYBRUSPT-UHFFFAOYSA-N 1 3 340.552 3.187 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449508074 310067811 /nfs/dbraw/zinc/06/78/11/310067811.db2.gz GNTVLKRZNDZAJE-LULLPPNCSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449508074 310067812 /nfs/dbraw/zinc/06/78/12/310067812.db2.gz GNTVLKRZNDZAJE-LULLPPNCSA-N 1 3 336.520 3.351 10 0 EGAEHO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2cc(OC(F)F)ccc2n1 ZINC000450782937 310142387 /nfs/dbraw/zinc/14/23/87/310142387.db2.gz ZKMBRTIOSPPNCE-PXAZEXFGSA-N 1 3 333.382 3.285 10 0 EGAEHO Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c2cc(OC(F)F)ccc2n1 ZINC000450782937 310142388 /nfs/dbraw/zinc/14/23/88/310142388.db2.gz ZKMBRTIOSPPNCE-PXAZEXFGSA-N 1 3 333.382 3.285 10 0 EGAEHO C[C@H](NCCC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453105504 310258156 /nfs/dbraw/zinc/25/81/56/310258156.db2.gz HRBQIZFVUZWRFW-INIZCTEOSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453197047 310263567 /nfs/dbraw/zinc/26/35/67/310263567.db2.gz MTZKHZPQQXRZTO-MRXNPFEDSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCCCCC1 ZINC000468773032 310693539 /nfs/dbraw/zinc/69/35/39/310693539.db2.gz AUCWQIKZQNQEKO-PMACEKPBSA-N 1 3 349.563 3.366 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505802 312212205 /nfs/dbraw/zinc/21/22/05/312212205.db2.gz MICQJNFQWCOTPQ-MJGOQNOKSA-N 1 3 339.483 3.486 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513505802 312212207 /nfs/dbraw/zinc/21/22/07/312212207.db2.gz MICQJNFQWCOTPQ-MJGOQNOKSA-N 1 3 339.483 3.486 10 0 EGAEHO Cc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)ccn1 ZINC000527704040 312917403 /nfs/dbraw/zinc/91/74/03/312917403.db2.gz DRAFCBCDBBNSGD-UHFFFAOYSA-N 1 3 325.456 3.153 10 0 EGAEHO NC[C@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000570281876 317033612 /nfs/dbraw/zinc/03/36/12/317033612.db2.gz PAPWJADKAMHISA-ICSRJNTNSA-N 1 3 343.515 3.149 10 0 EGAEHO CN1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000570310205 317038435 /nfs/dbraw/zinc/03/84/35/317038435.db2.gz QRGIAFURLCUYIH-SNPRPXQTSA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000570310205 317038439 /nfs/dbraw/zinc/03/84/39/317038439.db2.gz QRGIAFURLCUYIH-SNPRPXQTSA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000570310205 317038440 /nfs/dbraw/zinc/03/84/40/317038440.db2.gz QRGIAFURLCUYIH-SNPRPXQTSA-N 1 3 344.286 3.230 10 0 EGAEHO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000581340600 325353015 /nfs/dbraw/zinc/35/30/15/325353015.db2.gz GSTLWAPELSSXLW-CYBMUJFWSA-N 1 3 347.409 3.463 10 0 EGAEHO Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c2cc(OC(F)F)ccc2n1 ZINC000581340600 325353016 /nfs/dbraw/zinc/35/30/16/325353016.db2.gz GSTLWAPELSSXLW-CYBMUJFWSA-N 1 3 347.409 3.463 10 0 EGAEHO CC(=O)N1CC[C@@H]([NH2+]CC2(N)CCCCCC2)c2ccccc2C1 ZINC000581423374 325360152 /nfs/dbraw/zinc/36/01/52/325360152.db2.gz HMPQJXROVZAAIY-LJQANCHMSA-N 1 3 329.488 3.121 10 0 EGAEHO CC(=O)N1CC[C@H]([NH2+]CCCN2CCC[C@H](C)C2)c2ccccc2C1 ZINC000241644563 455269913 /nfs/dbraw/zinc/26/99/13/455269913.db2.gz PRTMOXDYVKZOMO-UWJYYQICSA-N 1 3 343.515 3.192 10 0 EGAEHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475602 460569655 /nfs/dbraw/zinc/56/96/55/460569655.db2.gz UDVXCUWPGVOEHH-HOCLYGCPSA-N 1 3 328.460 3.303 10 0 EGAEHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475602 460569659 /nfs/dbraw/zinc/56/96/59/460569659.db2.gz UDVXCUWPGVOEHH-HOCLYGCPSA-N 1 3 328.460 3.303 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCCc2nc(-c3ccc(F)cc3)no2)CC1(C)C ZINC000623489448 460577993 /nfs/dbraw/zinc/57/79/93/460577993.db2.gz AFFGOPCTIGMKPJ-MRXNPFEDSA-N 1 3 346.450 3.271 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCCc2nc(-c3ccc(F)cc3)no2)CC1(C)C ZINC000623489448 460577998 /nfs/dbraw/zinc/57/79/98/460577998.db2.gz AFFGOPCTIGMKPJ-MRXNPFEDSA-N 1 3 346.450 3.271 10 0 EGAEHO CN(Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)C1CC1 ZINC000623496017 460580506 /nfs/dbraw/zinc/58/05/06/460580506.db2.gz DXJFUIDQBKMLJN-UXHICEINSA-N 1 3 329.532 3.359 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000008429090 453202617 /nfs/dbraw/zinc/20/26/17/453202617.db2.gz GCLRZSOLNBUYPJ-IRXDYDNUSA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000008429090 453202627 /nfs/dbraw/zinc/20/26/27/453202627.db2.gz GCLRZSOLNBUYPJ-IRXDYDNUSA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1 ZINC000008429090 453202631 /nfs/dbraw/zinc/20/26/31/453202631.db2.gz GCLRZSOLNBUYPJ-IRXDYDNUSA-N 1 3 347.503 3.266 10 0 EGAEHO CO[C@](C)(CN[C@@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563983 460615478 /nfs/dbraw/zinc/61/54/78/460615478.db2.gz OTLJZOCZNAFGAK-UYAOXDASSA-N 1 3 334.504 3.071 10 0 EGAEHO CO[C@](C)(CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563983 460615486 /nfs/dbraw/zinc/61/54/86/460615486.db2.gz OTLJZOCZNAFGAK-UYAOXDASSA-N 1 3 334.504 3.071 10 0 EGAEHO CCC[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000245734705 455368080 /nfs/dbraw/zinc/36/80/80/455368080.db2.gz CWVOXCSQZUGQPV-MJGOQNOKSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000245734705 455368083 /nfs/dbraw/zinc/36/80/83/455368083.db2.gz CWVOXCSQZUGQPV-MJGOQNOKSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000245734693 455368230 /nfs/dbraw/zinc/36/82/30/455368230.db2.gz CWVOXCSQZUGQPV-IEBWSBKVSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000245734693 455368234 /nfs/dbraw/zinc/36/82/34/455368234.db2.gz CWVOXCSQZUGQPV-IEBWSBKVSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513095 454157462 /nfs/dbraw/zinc/15/74/62/454157462.db2.gz PTFVWTCJMQBSQT-APWZRJJASA-N 1 3 343.515 3.029 10 0 EGAEHO CCN(CC)C(=O)C[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000119732198 454217085 /nfs/dbraw/zinc/21/70/85/454217085.db2.gz BQZBLIHFDDZTTI-SFHVURJKSA-N 1 3 345.531 3.409 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134923794 454609565 /nfs/dbraw/zinc/60/95/65/454609565.db2.gz ZYHMCLIGYMVSQU-NQIIRXRSSA-N 1 3 344.499 3.031 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134923794 454609569 /nfs/dbraw/zinc/60/95/69/454609569.db2.gz ZYHMCLIGYMVSQU-NQIIRXRSSA-N 1 3 344.499 3.031 10 0 EGAEHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000152945421 454745926 /nfs/dbraw/zinc/74/59/26/454745926.db2.gz WBZRGKPOKBLMTM-NJDAHSKKSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000152945421 454745928 /nfs/dbraw/zinc/74/59/28/454745928.db2.gz WBZRGKPOKBLMTM-NJDAHSKKSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000176916973 454798720 /nfs/dbraw/zinc/79/87/20/454798720.db2.gz WFGWFROPLMYTKO-HOJAQTOUSA-N 1 3 348.531 3.147 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000176916973 454798724 /nfs/dbraw/zinc/79/87/24/454798724.db2.gz WFGWFROPLMYTKO-HOJAQTOUSA-N 1 3 348.531 3.147 10 0 EGAEHO CCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165945590 454906437 /nfs/dbraw/zinc/90/64/37/454906437.db2.gz VNXIVFICQKHXCL-FXAWDEMLSA-N 1 3 343.515 3.060 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155659138 455027986 /nfs/dbraw/zinc/02/79/86/455027986.db2.gz WPDVBENBNQHMFQ-ICSRJNTNSA-N 1 3 345.531 3.133 10 0 EGAEHO COc1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1O ZINC000180125675 455136300 /nfs/dbraw/zinc/13/63/00/455136300.db2.gz ZAQBOOCWFQWCTA-LJQANCHMSA-N 1 3 340.467 3.055 10 0 EGAEHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000246859563 455531315 /nfs/dbraw/zinc/53/13/15/455531315.db2.gz FNGAJWYJNLVHEV-JSGCOSHPSA-N 1 3 328.403 3.117 10 0 EGAEHO CCN1CCN([C@H]2CCN(c3c(C)c[nH+]c4c(C)cccc43)C2)CC1 ZINC000185302185 455536944 /nfs/dbraw/zinc/53/69/44/455536944.db2.gz HNBUJUVMXWQQPM-SFHVURJKSA-N 1 3 338.499 3.068 10 0 EGAEHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000263299146 456121740 /nfs/dbraw/zinc/12/17/40/456121740.db2.gz WVMZARQIBQIHHK-CTNGQTDRSA-N 1 3 343.515 3.196 10 0 EGAEHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000188786698 456137046 /nfs/dbraw/zinc/13/70/46/456137046.db2.gz FTCHDYUQIVYZOT-JRSUCEMESA-N 1 3 328.500 3.444 10 0 EGAEHO CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000273190125 456207782 /nfs/dbraw/zinc/20/77/82/456207782.db2.gz GPVTVYMDMSJMIV-XIGKFDRGSA-N 1 3 338.499 3.464 10 0 EGAEHO Cc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc(C)c1O ZINC000347857810 456408344 /nfs/dbraw/zinc/40/83/44/456408344.db2.gz OQHDEUQAFGNSLO-UHFFFAOYSA-N 1 3 332.488 3.086 10 0 EGAEHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340377048 456423910 /nfs/dbraw/zinc/42/39/10/456423910.db2.gz JSZPIFHXAKWIOA-TZIWHRDSSA-N 1 3 345.531 3.450 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000340465101 456476010 /nfs/dbraw/zinc/47/60/10/456476010.db2.gz QBOGMDLPYCRNDE-FQEVSTJZSA-N 1 3 341.503 3.223 10 0 EGAEHO CC[C@H](C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000338267535 456739599 /nfs/dbraw/zinc/73/95/99/456739599.db2.gz VGLHCVCKHUQMGX-LJQANCHMSA-N 1 3 345.531 3.135 10 0 EGAEHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000354177038 457111932 /nfs/dbraw/zinc/11/19/32/457111932.db2.gz GAUWIUIIDBIQSR-KUIDOIOASA-N 1 3 339.527 3.254 10 0 EGAEHO CCSCC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000354207892 457131911 /nfs/dbraw/zinc/13/19/11/457131911.db2.gz NLKGLMTUKOSZSA-LJQANCHMSA-N 1 3 348.556 3.258 10 0 EGAEHO OC1(C[NH2+]Cc2cccc(Cl)c2)CCN(Cc2ccccc2)CC1 ZINC000397644690 457490616 /nfs/dbraw/zinc/49/06/16/457490616.db2.gz UPGGTIFBJLRVNJ-UHFFFAOYSA-N 1 3 344.886 3.457 10 0 EGAEHO C[C@H]1CCCN(CCCc2nc(-c3cccs3)no2)[C@H]1CC[NH3+] ZINC000404440993 457544404 /nfs/dbraw/zinc/54/44/04/457544404.db2.gz URYSSDKSTNDVSL-KBPBESRZSA-N 1 3 334.489 3.180 10 0 EGAEHO COC1CCC(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000361919766 457955205 /nfs/dbraw/zinc/95/52/05/457955205.db2.gz UGOYQIWLPLEHHH-LRYGQEGESA-N 1 3 334.504 3.483 10 0 EGAEHO COc1cccc(CC[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000358770620 458206343 /nfs/dbraw/zinc/20/63/43/458206343.db2.gz JKMRPOVHOYBJPD-QFBILLFUSA-N 1 3 331.504 3.265 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000447543919 458308455 /nfs/dbraw/zinc/30/84/55/458308455.db2.gz UBTUVTDLIWIWJC-MXEMCNAFSA-N 1 3 327.516 3.112 10 0 EGAEHO O=C(CN1CCCC2(C1)CCCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000464765358 458770171 /nfs/dbraw/zinc/77/01/71/458770171.db2.gz LJFXGOMYKQZNSX-UHFFFAOYSA-N 1 3 347.547 3.166 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864184 459024301 /nfs/dbraw/zinc/02/43/01/459024301.db2.gz CZASYIZCFXBYKZ-RBSFLKMASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864184 459024307 /nfs/dbraw/zinc/02/43/07/459024307.db2.gz CZASYIZCFXBYKZ-RBSFLKMASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864184 459024311 /nfs/dbraw/zinc/02/43/11/459024311.db2.gz CZASYIZCFXBYKZ-RBSFLKMASA-N 1 3 340.414 3.259 10 0 EGAEHO CC1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615851 459210016 /nfs/dbraw/zinc/21/00/16/459210016.db2.gz UANUXUCLEMEBHT-TZIWHRDSSA-N 1 3 329.532 3.219 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000534316771 459313070 /nfs/dbraw/zinc/31/30/70/459313070.db2.gz NNCSHXHGERHLCA-OPVJXMOQSA-N 1 3 345.531 3.264 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2cc(Br)cs2)[C@@H]2CCC[C@H]21 ZINC000582137916 459315039 /nfs/dbraw/zinc/31/50/39/459315039.db2.gz HIWXLDRFVMZKQM-MELADBBJSA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2cc(Br)cs2)[C@@H]2CCC[C@H]21 ZINC000582137916 459315043 /nfs/dbraw/zinc/31/50/43/459315043.db2.gz HIWXLDRFVMZKQM-MELADBBJSA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@@H]2CCC[C@H]21 ZINC000582137916 459315046 /nfs/dbraw/zinc/31/50/46/459315046.db2.gz HIWXLDRFVMZKQM-MELADBBJSA-N 1 3 329.307 3.473 10 0 EGAEHO CCN(C(=O)CC[NH2+]C(C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000569690724 459494479 /nfs/dbraw/zinc/49/44/79/459494479.db2.gz KJRVZLNFTGRQTD-MJGOQNOKSA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCCNC1 ZINC000562748211 459640486 /nfs/dbraw/zinc/64/04/86/459640486.db2.gz ZUVDVRBHZKFQET-SWLSCSKDSA-N 1 3 343.393 3.154 10 0 EGAEHO CN1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409318 459730297 /nfs/dbraw/zinc/73/02/97/459730297.db2.gz BRSHGXKKXBRVBF-UXHICEINSA-N 1 3 327.516 3.115 10 0 EGAEHO c1ccc(CCN2CCC([NH2+]C[C@@H]3CCN3C3CCCC3)CC2)cc1 ZINC000527811687 459747933 /nfs/dbraw/zinc/74/79/33/459747933.db2.gz RVNHCHBTRUBFFI-QFIPXVFZSA-N 1 3 341.543 3.300 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000544846672 459787901 /nfs/dbraw/zinc/78/79/01/459787901.db2.gz FMIOFOYCELMMPP-KRWDZBQOSA-N 1 3 327.472 3.480 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000527987455 459788670 /nfs/dbraw/zinc/78/86/70/459788670.db2.gz NAYNUWILTHTWJN-VQIMIIECSA-N 1 3 331.504 3.265 10 0 EGAEHO COc1ccc(CC[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000527987455 459788672 /nfs/dbraw/zinc/78/86/72/459788672.db2.gz NAYNUWILTHTWJN-VQIMIIECSA-N 1 3 331.504 3.265 10 0 EGAEHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccccc1I ZINC000593318195 459839815 /nfs/dbraw/zinc/83/98/15/459839815.db2.gz AZHOPWJGCXXXRW-LLVKDONJSA-N 1 3 344.240 3.071 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000597199456 459874064 /nfs/dbraw/zinc/87/40/64/459874064.db2.gz CZFGIIGURUCYBD-GBESFXJTSA-N 1 3 342.483 3.110 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000597199456 459874073 /nfs/dbraw/zinc/87/40/73/459874073.db2.gz CZFGIIGURUCYBD-GBESFXJTSA-N 1 3 342.483 3.110 10 0 EGAEHO CCn1c2ccccc2c2cc(CNCCOCCC[NH3+])ccc21 ZINC000629397611 460748056 /nfs/dbraw/zinc/74/80/56/460748056.db2.gz AOLOPXBNBUTPND-UHFFFAOYSA-N 1 3 325.456 3.269 10 0 EGAEHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623875126 460756834 /nfs/dbraw/zinc/75/68/34/460756834.db2.gz YNSXLPSWUVHHBC-FPOVZHCZSA-N 1 3 345.531 3.136 10 0 EGAEHO CC[C@@H]1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C[C@H](C)N1 ZINC000620904729 460822812 /nfs/dbraw/zinc/82/28/12/460822812.db2.gz YNNLHFUEOQOIQJ-QFBILLFUSA-N 1 3 331.504 3.129 10 0 EGAEHO CC[C@@H]1CN(C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C[C@H](C)N1 ZINC000620904729 460822814 /nfs/dbraw/zinc/82/28/14/460822814.db2.gz YNNLHFUEOQOIQJ-QFBILLFUSA-N 1 3 331.504 3.129 10 0 EGAEHO [NH3+]CCCOCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000629660673 460854616 /nfs/dbraw/zinc/85/46/16/460854616.db2.gz XJIJUWPGQUASRA-UHFFFAOYSA-N 1 3 331.441 3.011 10 0 EGAEHO c1ccc([C@H]2C[N@@H+](C[C@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249276 461141946 /nfs/dbraw/zinc/14/19/46/461141946.db2.gz RXKBRGKDTSZVLB-TZIWHRDSSA-N 1 3 334.463 3.155 10 0 EGAEHO c1ccc([C@H]2C[N@H+](C[C@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249276 461141954 /nfs/dbraw/zinc/14/19/54/461141954.db2.gz RXKBRGKDTSZVLB-TZIWHRDSSA-N 1 3 334.463 3.155 10 0 EGAEHO Clc1cccc([C@H]2CNCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662272788 461161276 /nfs/dbraw/zinc/16/12/76/461161276.db2.gz PUXGOGOSLXJPOU-HXUWFJFHSA-N 1 3 341.886 3.132 10 0 EGAEHO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298190 461175568 /nfs/dbraw/zinc/17/55/68/461175568.db2.gz UUVXOOJJNKZCKU-HOCLYGCPSA-N 1 3 349.906 3.379 10 0 EGAEHO C[C@@H](COc1c(F)cccc1F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668533447 461317829 /nfs/dbraw/zinc/31/78/29/461317829.db2.gz JYSVNTFCZHVBMU-AWEZNQCLSA-N 1 3 347.409 3.386 10 0 EGAEHO CC(C)C[C@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740727 461408969 /nfs/dbraw/zinc/40/89/69/461408969.db2.gz WTEAROBIIRZVFJ-TZIWHRDSSA-N 1 3 330.516 3.347 10 0 EGAEHO CC(C)C[C@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740727 461408974 /nfs/dbraw/zinc/40/89/74/461408974.db2.gz WTEAROBIIRZVFJ-TZIWHRDSSA-N 1 3 330.516 3.347 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000659910845 461494955 /nfs/dbraw/zinc/49/49/55/461494955.db2.gz UVTYMVKWCQKXEG-SFTDATJTSA-N 1 3 341.543 3.208 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000659910845 461494967 /nfs/dbraw/zinc/49/49/67/461494967.db2.gz UVTYMVKWCQKXEG-SFTDATJTSA-N 1 3 341.543 3.208 10 0 EGAEHO Cc1ccc2ncc(C[NH2+]C[C@@H]3CN(C)C[C@H]3c3ccccc3)n2c1 ZINC000647248867 461588722 /nfs/dbraw/zinc/58/87/22/461588722.db2.gz LHMITFDGOZAOPL-QUCCMNQESA-N 1 3 334.467 3.078 10 0 EGAEHO c1cc(N2CCC([NH2+]CC3([C@@H]4CCCCO4)CCC3)CC2)ccn1 ZINC000639389329 461907046 /nfs/dbraw/zinc/90/70/46/461907046.db2.gz KOAMRVIMAPOICG-IBGZPJMESA-N 1 3 329.488 3.379 10 0 EGAEHO [NH3+]CC1(CCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000650745901 461930123 /nfs/dbraw/zinc/93/01/23/461930123.db2.gz QOINVNMAIZPBJB-CYBMUJFWSA-N 1 3 327.241 3.294 10 0 EGAEHO CC1CC[NH+](CCCCNCc2c(C(F)(F)F)cnn2C)CC1 ZINC000657313806 462038245 /nfs/dbraw/zinc/03/82/45/462038245.db2.gz UFQKPDHBJQKJFZ-UHFFFAOYSA-N 1 3 332.414 3.041 10 0 EGAEHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC000657349980 462064062 /nfs/dbraw/zinc/06/40/62/462064062.db2.gz QWHMFMLKOUTSSW-FQEVSTJZSA-N 1 3 343.515 3.021 10 0 EGAEHO Fc1cc(Cl)cc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657537340 462172065 /nfs/dbraw/zinc/17/20/65/462172065.db2.gz HYUORXREVAHYJM-UHFFFAOYSA-N 1 3 340.870 3.460 10 0 EGAEHO Clc1ccsc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657538344 462172095 /nfs/dbraw/zinc/17/20/95/462172095.db2.gz ZMSMVXVXZJVAND-UHFFFAOYSA-N 1 3 328.909 3.382 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3nccc4ccccc43)cc2)C1 ZINC000657594271 462194343 /nfs/dbraw/zinc/19/43/43/462194343.db2.gz HYKUYNKPDFTNBX-HXUWFJFHSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3nccc4ccccc43)cc2)C1 ZINC000657594271 462194354 /nfs/dbraw/zinc/19/43/54/462194354.db2.gz HYKUYNKPDFTNBX-HXUWFJFHSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(C4CC4)c3)cc2)C1 ZINC000657595372 462197629 /nfs/dbraw/zinc/19/76/29/462197629.db2.gz HINUXINKEWCJAD-QFIPXVFZSA-N 1 3 336.479 3.420 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(C4CC4)c3)cc2)C1 ZINC000657595372 462197634 /nfs/dbraw/zinc/19/76/34/462197634.db2.gz HINUXINKEWCJAD-QFIPXVFZSA-N 1 3 336.479 3.420 10 0 EGAEHO C[C@@H](CO)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836981 462210335 /nfs/dbraw/zinc/21/03/35/462210335.db2.gz YLGFSEUAQGNKIR-XLIONFOSSA-N 1 3 330.516 3.237 10 0 EGAEHO C[C@@H](CO)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836981 462210340 /nfs/dbraw/zinc/21/03/40/462210340.db2.gz YLGFSEUAQGNKIR-XLIONFOSSA-N 1 3 330.516 3.237 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142163 462404812 /nfs/dbraw/zinc/40/48/12/462404812.db2.gz YYZHSOAEUZEZJW-CJNGLKHVSA-N 1 3 326.431 3.023 10 0 EGAEHO CN(c1ccccc1CN1CC[C@@]2(CC2(F)F)C1)C1CC[NH+](C)CC1 ZINC000652063711 462423173 /nfs/dbraw/zinc/42/31/73/462423173.db2.gz SQBTZSXBXXELIZ-LJQANCHMSA-N 1 3 349.469 3.448 10 0 EGAEHO OC1CCC(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000658284235 462455511 /nfs/dbraw/zinc/45/55/11/462455511.db2.gz GCJODBYXYQEISL-KPUASWNJSA-N 1 3 342.527 3.428 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318298 462474621 /nfs/dbraw/zinc/47/46/21/462474621.db2.gz OVACSVFHFWVRMG-IEBWSBKVSA-N 1 3 338.499 3.373 10 0 EGAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000646106136 462518585 /nfs/dbraw/zinc/51/85/85/462518585.db2.gz PSQLKZYOCIIILO-HSALFYBXSA-N 1 3 343.515 3.017 10 0 EGAEHO Cc1nccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000164600395 534769291 /nfs/dbraw/zinc/76/92/91/534769291.db2.gz UKSIYZGVXDULKG-GHTZIAJQSA-N 1 3 340.515 3.472 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000350213719 547657191 /nfs/dbraw/zinc/65/71/91/547657191.db2.gz BHSWBOODENFMQK-UHFFFAOYSA-N 1 3 346.441 3.389 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000350213719 547657195 /nfs/dbraw/zinc/65/71/95/547657195.db2.gz BHSWBOODENFMQK-UHFFFAOYSA-N 1 3 346.441 3.389 10 0 EGAEHO C[C@@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)c1ccncc1 ZINC000675926496 549006105 /nfs/dbraw/zinc/00/61/05/549006105.db2.gz BPLDYMWYSJMOKC-DLBZAZTESA-N 1 3 327.472 3.476 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000682077312 550070065 /nfs/dbraw/zinc/07/00/65/550070065.db2.gz OZHAXJXEPKRAMV-FQEVSTJZSA-N 1 3 327.516 3.023 10 0 EGAEHO CC(C)OC[C@H](Cc1ccc(F)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872021003 1296664110 /nfs/dbraw/zinc/66/41/10/1296664110.db2.gz MLURMNPDZHZDTG-MJGOQNOKSA-N 1 3 334.479 3.236 10 0 EGAEHO CC(C)OC[C@H](Cc1ccc(F)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000872021003 1296664118 /nfs/dbraw/zinc/66/41/18/1296664118.db2.gz MLURMNPDZHZDTG-MJGOQNOKSA-N 1 3 334.479 3.236 10 0 EGAEHO C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc([O-])c1F ZINC000872085077 1296725842 /nfs/dbraw/zinc/72/58/42/1296725842.db2.gz NIUFXHLPARFYHU-AWEZNQCLSA-N 1 3 336.451 3.073 10 0 EGAEHO C[C@H](CC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)N(C)C ZINC000895291026 1309272208 /nfs/dbraw/zinc/27/22/08/1309272208.db2.gz YIJIEBXBHPJWMR-MGNMYUMUSA-N 1 3 339.524 3.094 10 0 EGAEHO C[C@@H]1C[N@H+](C[C@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559022 1309401939 /nfs/dbraw/zinc/40/19/39/1309401939.db2.gz YRISDDPUZDQKJR-RTBURBONSA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@@H]1C[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559022 1309401942 /nfs/dbraw/zinc/40/19/42/1309401942.db2.gz YRISDDPUZDQKJR-RTBURBONSA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@@H]1CN(C[C@H]2CCN(c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000895559022 1309401945 /nfs/dbraw/zinc/40/19/45/1309401945.db2.gz YRISDDPUZDQKJR-RTBURBONSA-N 1 3 336.483 3.119 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc1 ZINC000897817848 1310478200 /nfs/dbraw/zinc/47/82/00/1310478200.db2.gz BROALDJEGAEKFW-UTNDXIFNSA-N 1 3 338.495 3.053 10 0 EGAEHO C[C@@H]1[C@H](C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000899671807 1317129584 /nfs/dbraw/zinc/12/95/84/1317129584.db2.gz DJZAWAANDDFMNN-BXUZGUMPSA-N 1 3 343.393 3.046 10 0 EGAEHO C[C@@H]1[C@H](C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000899671807 1317129589 /nfs/dbraw/zinc/12/95/89/1317129589.db2.gz DJZAWAANDDFMNN-BXUZGUMPSA-N 1 3 343.393 3.046 10 0 EGAEHO c1cc(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)sn1 ZINC000930458125 1328861851 /nfs/dbraw/zinc/86/18/51/1328861851.db2.gz RPKVAZHETUMZJF-LJQANCHMSA-N 1 3 327.497 3.284 10 0 EGAEHO c1cc(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)sn1 ZINC000930458125 1328861855 /nfs/dbraw/zinc/86/18/55/1328861855.db2.gz RPKVAZHETUMZJF-LJQANCHMSA-N 1 3 327.497 3.284 10 0 EGAEHO O=c1cc(CNCc2cccc(C[NH+]3CCCCCC3)c2)cc[nH]1 ZINC000921631714 1322366833 /nfs/dbraw/zinc/36/68/33/1322366833.db2.gz XOUHZBAVUWRISK-UHFFFAOYSA-N 1 3 325.456 3.453 10 0 EGAEHO Cc1nccn1CCN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931217904 1329072646 /nfs/dbraw/zinc/07/26/46/1329072646.db2.gz YJFHGKKAJDAVJY-SFTDATJTSA-N 1 3 338.499 3.036 10 0 EGAEHO Cc1nccn1CC[NH+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000931217904 1329072650 /nfs/dbraw/zinc/07/26/50/1329072650.db2.gz YJFHGKKAJDAVJY-SFTDATJTSA-N 1 3 338.499 3.036 10 0 EGAEHO CN(C)C1(C)CC[NH+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000931356446 1329101101 /nfs/dbraw/zinc/10/11/01/1329101101.db2.gz XQZAQEOSZCQXOY-INIZCTEOSA-N 1 3 339.524 3.050 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccc(COC3CCOCC3)c2)C1 ZINC000925476279 1325167175 /nfs/dbraw/zinc/16/71/75/1325167175.db2.gz HHVYOUNMUGFQOQ-RBUKOAKNSA-N 1 3 346.515 3.378 10 0 EGAEHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCCN[C@@H]4C3(C)C)c2c1 ZINC000925485495 1325170939 /nfs/dbraw/zinc/17/09/39/1325170939.db2.gz CVHWPGDRFJYBJZ-AYOQOUSVSA-N 1 3 327.472 3.085 10 0 EGAEHO COc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536322 1325196671 /nfs/dbraw/zinc/19/66/71/1325196671.db2.gz CZLGGIGIKACACM-OLZOCXBDSA-N 1 3 328.403 3.292 10 0 EGAEHO CCOCCOCc1cccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548992 1325202331 /nfs/dbraw/zinc/20/23/31/1325202331.db2.gz WBHODQCPVQCNOO-MOPGFXCFSA-N 1 3 334.504 3.235 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925574577 1325217433 /nfs/dbraw/zinc/21/74/33/1325217433.db2.gz RVLYVDUHOSSVMV-DPZWOIPNSA-N 1 3 334.479 3.396 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925574577 1325217444 /nfs/dbraw/zinc/21/74/44/1325217444.db2.gz RVLYVDUHOSSVMV-DPZWOIPNSA-N 1 3 334.479 3.396 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Br)cs1 ZINC000925776851 1325296014 /nfs/dbraw/zinc/29/60/14/1325296014.db2.gz MZKOPTPDJNEZFM-DTWKUNHWSA-N 1 3 339.249 3.406 10 0 EGAEHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1OCC ZINC000925780205 1325298803 /nfs/dbraw/zinc/29/88/03/1325298803.db2.gz SBSHVMYEYJVSDR-UKRRQHHQSA-N 1 3 342.430 3.379 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925781375 1325299540 /nfs/dbraw/zinc/29/95/40/1325299540.db2.gz YKBZOIJCBBTJOS-JQWIXIFHSA-N 1 3 333.220 3.345 10 0 EGAEHO CC(C)[C@H](Cc1ccc(F)cc1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794084 1325304080 /nfs/dbraw/zinc/30/40/80/1325304080.db2.gz GIAMVMFEZKUKIE-OALUTQOASA-N 1 3 334.479 3.141 10 0 EGAEHO Cc1cc([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)cs1 ZINC000925817859 1325314492 /nfs/dbraw/zinc/31/44/92/1325314492.db2.gz RXHUTAYUDDCIFT-MRXNPFEDSA-N 1 3 329.513 3.313 10 0 EGAEHO Cc1c([C@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000925875402 1325338909 /nfs/dbraw/zinc/33/89/09/1325338909.db2.gz GNOVFBBOITXPTC-LNSITVRQSA-N 1 3 333.867 3.007 10 0 EGAEHO CN1Cc2ccccc2[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000865806921 1329740452 /nfs/dbraw/zinc/74/04/52/1329740452.db2.gz UJUSBLBXDFIDQF-QHCPKHFHSA-N 1 3 349.522 3.470 10 0 EGAEHO C[C@@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001323083247 1387285553 /nfs/dbraw/zinc/28/55/53/1387285553.db2.gz YJTJLMAVTUZJCQ-FXAWDEMLSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001324817903 1387783002 /nfs/dbraw/zinc/78/30/02/1387783002.db2.gz OUCUHHBWTNLPIZ-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001326021702 1388102084 /nfs/dbraw/zinc/10/20/84/1388102084.db2.gz MPWWZAVAVNWDER-FQEVSTJZSA-N 1 3 347.478 3.433 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001326541702 1388234117 /nfs/dbraw/zinc/23/41/17/1388234117.db2.gz KRECQXCFJFBHDK-QAQDUYKDSA-N 1 3 325.541 3.029 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001265681970 1377159209 /nfs/dbraw/zinc/15/92/09/1377159209.db2.gz INMUCHAMORRDRR-WYNBNGFRSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCN(C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001266285295 1377258869 /nfs/dbraw/zinc/25/88/69/1377258869.db2.gz UEJHFKLSKAPZGY-SFHVURJKSA-N 1 3 347.528 3.036 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC001135926520 1377265521 /nfs/dbraw/zinc/26/55/21/1377265521.db2.gz LCRPBJKRQNFVQD-AQNXPRMDSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266489429 1377320066 /nfs/dbraw/zinc/32/00/66/1377320066.db2.gz DVRGQXZTXRSSIH-QRVBRYPASA-N 1 3 335.536 3.116 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266489429 1377320068 /nfs/dbraw/zinc/32/00/68/1377320068.db2.gz DVRGQXZTXRSSIH-QRVBRYPASA-N 1 3 335.536 3.116 10 0 EGAEHO CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001267510226 1377449333 /nfs/dbraw/zinc/44/93/33/1377449333.db2.gz HKLLZRAFZGROGQ-IBGZPJMESA-N 1 3 337.552 3.432 10 0 EGAEHO CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001267510226 1377449335 /nfs/dbraw/zinc/44/93/35/1377449335.db2.gz HKLLZRAFZGROGQ-IBGZPJMESA-N 1 3 337.552 3.432 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001269740385 1377568594 /nfs/dbraw/zinc/56/85/94/1377568594.db2.gz FOWWZYZWGDEJIE-AZUAARDMSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)c(C)c1 ZINC001272344196 1377666169 /nfs/dbraw/zinc/66/61/69/1377666169.db2.gz RSTUZTMQTSROOK-PMACEKPBSA-N 1 3 345.531 3.018 10 0 EGAEHO C[C@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001283188512 1378757161 /nfs/dbraw/zinc/75/71/61/1378757161.db2.gz IBOWIPSJKPXUSK-OXQOHEQNSA-N 1 3 343.515 3.033 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001284034741 1379385050 /nfs/dbraw/zinc/38/50/50/1379385050.db2.gz VBZSMFOEHSVGSF-AJWBFMOXSA-N 1 3 343.515 3.297 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284558487 1379967438 /nfs/dbraw/zinc/96/74/38/1379967438.db2.gz MPDQEAOOSQAQTD-WMZOPIPTSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284558487 1379967440 /nfs/dbraw/zinc/96/74/40/1379967440.db2.gz MPDQEAOOSQAQTD-WMZOPIPTSA-N 1 3 349.494 3.007 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597603 1379998786 /nfs/dbraw/zinc/99/87/86/1379998786.db2.gz IVQQYDUVDKOFPH-RBUKOAKNSA-N 1 3 349.563 3.482 10 0 EGAEHO CCc1ccccc1C[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001284643502 1380051137 /nfs/dbraw/zinc/05/11/37/1380051137.db2.gz UGDGNLQCVVGFOM-RTBURBONSA-N 1 3 347.547 3.210 10 0 EGAEHO CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001284653443 1380068871 /nfs/dbraw/zinc/06/88/71/1380068871.db2.gz RWNZDDDHLKUYML-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001284815202 1380240332 /nfs/dbraw/zinc/24/03/32/1380240332.db2.gz HHCNWOGJIMTXBP-UHFFFAOYSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)CCC[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001284818200 1380243594 /nfs/dbraw/zinc/24/35/94/1380243594.db2.gz ATILFTBAEMSUDS-UHFFFAOYSA-N 1 3 345.531 3.377 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001316718100 1384536233 /nfs/dbraw/zinc/53/62/33/1384536233.db2.gz APKQDKNODDINGT-MNFUMMEQSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001316718100 1384536236 /nfs/dbraw/zinc/53/62/36/1384536236.db2.gz APKQDKNODDINGT-MNFUMMEQSA-N 1 3 349.563 3.288 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001316883244 1384666902 /nfs/dbraw/zinc/66/69/02/1384666902.db2.gz XAGTVFJMGPTVCQ-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001317007044 1384769516 /nfs/dbraw/zinc/76/95/16/1384769516.db2.gz MYMIJKLRNPJNMG-LJQANCHMSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030570 1384798078 /nfs/dbraw/zinc/79/80/78/1384798078.db2.gz UZNUNIBGPQHNLF-PXNSSMCTSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001317195133 1384969234 /nfs/dbraw/zinc/96/92/34/1384969234.db2.gz MAVOTSUQYHKMIJ-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001317530314 1385254988 /nfs/dbraw/zinc/25/49/88/1385254988.db2.gz VUNHLEZFWJEIRV-IBGZPJMESA-N 1 3 349.563 3.293 10 0 EGAEHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001317530314 1385254992 /nfs/dbraw/zinc/25/49/92/1385254992.db2.gz VUNHLEZFWJEIRV-IBGZPJMESA-N 1 3 349.563 3.293 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530730 1385255711 /nfs/dbraw/zinc/25/57/11/1385255711.db2.gz ZBKDNOSDQSSSTD-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530730 1385255718 /nfs/dbraw/zinc/25/57/18/1385255718.db2.gz ZBKDNOSDQSSSTD-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001317771462 1385463403 /nfs/dbraw/zinc/46/34/03/1385463403.db2.gz ZMHCTUGKRCEOAF-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)N(C)C ZINC001317808120 1385504143 /nfs/dbraw/zinc/50/41/43/1385504143.db2.gz CJWYHLHTZXTCPQ-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)N(C)C ZINC001317808120 1385504149 /nfs/dbraw/zinc/50/41/49/1385504149.db2.gz CJWYHLHTZXTCPQ-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCCC2)C1 ZINC001317861406 1385545203 /nfs/dbraw/zinc/54/52/03/1385545203.db2.gz ABBVAZNADXWHKR-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCCC2)C1 ZINC001317861406 1385545204 /nfs/dbraw/zinc/54/52/04/1385545204.db2.gz ABBVAZNADXWHKR-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317861865 1385545873 /nfs/dbraw/zinc/54/58/73/1385545873.db2.gz FFDIDENLEJXPBG-COJDAZNPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317861865 1385545878 /nfs/dbraw/zinc/54/58/78/1385545878.db2.gz FFDIDENLEJXPBG-COJDAZNPSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CCC(C)(C)C ZINC001319285414 1386042498 /nfs/dbraw/zinc/04/24/98/1386042498.db2.gz MAQAEYUYEOINFP-INIZCTEOSA-N 1 3 333.520 3.140 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001319542192 1386170914 /nfs/dbraw/zinc/17/09/14/1386170914.db2.gz ZGTIUUXRJQUACS-AEFFLSMTSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001319592361 1386194628 /nfs/dbraw/zinc/19/46/28/1386194628.db2.gz JQFCXXNBUBGHQL-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592306 1386194748 /nfs/dbraw/zinc/19/47/48/1386194748.db2.gz IPJVPIHKSKHWAK-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001319929714 1386397929 /nfs/dbraw/zinc/39/79/29/1386397929.db2.gz QUIZPNPCWMGHJV-GOSISDBHSA-N 1 3 349.563 3.172 10 0 EGAEHO CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001320929232 1386762278 /nfs/dbraw/zinc/76/22/78/1386762278.db2.gz RBDZILJDMAISCQ-IMTHGLKYSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001329256460 1389037092 /nfs/dbraw/zinc/03/70/92/1389037092.db2.gz FUQVMXCNJYUESB-SOAGJPPSSA-N 1 3 349.563 3.432 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001698714331 1406356826 /nfs/dbraw/zinc/35/68/26/1406356826.db2.gz HJLSMBPELYWBRF-IYARVYRRSA-N 1 3 346.519 3.248 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCCCC1 ZINC001329460229 1389118397 /nfs/dbraw/zinc/11/83/97/1389118397.db2.gz PKLAOIDBDVMVON-HKUYNNGSSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001329460229 1389118399 /nfs/dbraw/zinc/11/83/99/1389118399.db2.gz PKLAOIDBDVMVON-HKUYNNGSSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[NH2+][C@H](CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001329759140 1389219411 /nfs/dbraw/zinc/21/94/11/1389219411.db2.gz ALDVWXJXSIUMDQ-VQIMIIECSA-N 1 3 343.531 3.070 10 0 EGAEHO CC(C)=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466181 1389420754 /nfs/dbraw/zinc/42/07/54/1389420754.db2.gz GXQWJDGGRYAXIA-OTWHNJEPSA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466181 1389420758 /nfs/dbraw/zinc/42/07/58/1389420758.db2.gz GXQWJDGGRYAXIA-OTWHNJEPSA-N 1 3 349.563 3.147 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CCC1CCCC1 ZINC001698747172 1406398077 /nfs/dbraw/zinc/39/80/77/1406398077.db2.gz AUZVZIYZHVBSDM-QGZVFWFLSA-N 1 3 337.552 3.173 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001331576253 1389809355 /nfs/dbraw/zinc/80/93/55/1389809355.db2.gz NQJAIYGWCNZJFS-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001331943783 1389921040 /nfs/dbraw/zinc/92/10/40/1389921040.db2.gz KUSWBPHYGHLDEX-XLIONFOSSA-N 1 3 345.531 3.377 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698759953 1406413646 /nfs/dbraw/zinc/41/36/46/1406413646.db2.gz FVWXTVOREDVXMH-HOTGVXAUSA-N 1 3 349.494 3.103 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786678 1390187984 /nfs/dbraw/zinc/18/79/84/1390187984.db2.gz CWLMXTYFKVMSSY-MOPGFXCFSA-N 1 3 349.563 3.480 10 0 EGAEHO CC[C@@H](C(=O)NC1(C2CC[NH+](CCC3CCCC3)CC2)CC1)N(C)C ZINC001333181437 1390263033 /nfs/dbraw/zinc/26/30/33/1390263033.db2.gz ZLUXRTYFHUUYHE-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001333399423 1390296820 /nfs/dbraw/zinc/29/68/20/1390296820.db2.gz HHVBXDWDVQYDPV-GOSISDBHSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC2=CC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001333399423 1390296823 /nfs/dbraw/zinc/29/68/23/1390296823.db2.gz HHVBXDWDVQYDPV-GOSISDBHSA-N 1 3 347.547 3.047 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001479416456 1392239414 /nfs/dbraw/zinc/23/94/14/1392239414.db2.gz ISHFERCFYUMXCD-FHWLQOOXSA-N 1 3 345.531 3.189 10 0 EGAEHO CC(C)CCC[N@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479796450 1392396373 /nfs/dbraw/zinc/39/63/73/1392396373.db2.gz HWJARROZHGEHGS-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)CCC[N@@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479796450 1392396377 /nfs/dbraw/zinc/39/63/77/1392396377.db2.gz HWJARROZHGEHGS-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001479895949 1392464607 /nfs/dbraw/zinc/46/46/07/1392464607.db2.gz DZCWQDFTNSSTRM-RURPWVQCSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001480027923 1392540682 /nfs/dbraw/zinc/54/06/82/1392540682.db2.gz ZBTKDDFGCYQWFC-OALUTQOASA-N 1 3 349.563 3.027 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001480233593 1392629921 /nfs/dbraw/zinc/62/99/21/1392629921.db2.gz IHWVQRWZEAMMHI-AHRSYUTCSA-N 1 3 345.531 3.450 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001480304652 1392668089 /nfs/dbraw/zinc/66/80/89/1392668089.db2.gz ZQQXSTPXDPKDMM-ROUUACIJSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328231 1392688251 /nfs/dbraw/zinc/68/82/51/1392688251.db2.gz PGWFSBRMJOGJBR-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001480328231 1392688252 /nfs/dbraw/zinc/68/82/52/1392688252.db2.gz PGWFSBRMJOGJBR-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480350116 1392699824 /nfs/dbraw/zinc/69/98/24/1392699824.db2.gz PQKPUQGGVNJFRG-MJRGOJFPSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378240 1392721841 /nfs/dbraw/zinc/72/18/41/1392721841.db2.gz APHQQANACIQQHJ-VGRIIWOTSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378240 1392721844 /nfs/dbraw/zinc/72/18/44/1392721844.db2.gz APHQQANACIQQHJ-VGRIIWOTSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001480411013 1392746711 /nfs/dbraw/zinc/74/67/11/1392746711.db2.gz DVUJJTVMTACPNI-AOCRQIFASA-N 1 3 325.541 3.026 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001480411641 1392747227 /nfs/dbraw/zinc/74/72/27/1392747227.db2.gz RNMYWUNWZSRRPO-UHFFFAOYSA-N 1 3 345.531 3.161 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703352 1392866796 /nfs/dbraw/zinc/86/67/96/1392866796.db2.gz YGRWAHDYIUCIDN-RTBURBONSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001480794051 1392937474 /nfs/dbraw/zinc/93/74/74/1392937474.db2.gz VARBYONTRKPREB-QUCCMNQESA-N 1 3 345.531 3.242 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1)N(C)C ZINC001481118841 1393124674 /nfs/dbraw/zinc/12/46/74/1393124674.db2.gz NEFQIEHCKBIRFP-FXAWDEMLSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1)N(C)C ZINC001481118841 1393124675 /nfs/dbraw/zinc/12/46/75/1393124675.db2.gz NEFQIEHCKBIRFP-FXAWDEMLSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCC(C)CC1 ZINC001481137377 1393130689 /nfs/dbraw/zinc/13/06/89/1393130689.db2.gz MAHNUADBJIJNME-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCC(C)CC1 ZINC001481137377 1393130690 /nfs/dbraw/zinc/13/06/90/1393130690.db2.gz MAHNUADBJIJNME-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001481279128 1393157365 /nfs/dbraw/zinc/15/73/65/1393157365.db2.gz FPLJXHYBXHKKBP-SFHVURJKSA-N 1 3 347.547 3.390 10 0 EGAEHO Cc1ccccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001698922422 1406658473 /nfs/dbraw/zinc/65/84/73/1406658473.db2.gz DSUDYNWIQBIIFO-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001490618968 1394286106 /nfs/dbraw/zinc/28/61/06/1394286106.db2.gz SGBWFSWMOJFFFX-GOSISDBHSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001491681286 1394525631 /nfs/dbraw/zinc/52/56/31/1394525631.db2.gz CVJKBFFWMDQPLN-SJORKVTESA-N 1 3 341.499 3.335 10 0 EGAEHO CC(C)CC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC001482035703 1394696374 /nfs/dbraw/zinc/69/63/74/1394696374.db2.gz LAQGHKQXSVQGDI-HDICACEKSA-N 1 3 345.531 3.311 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001482369537 1394932277 /nfs/dbraw/zinc/93/22/77/1394932277.db2.gz NDPMYMDZCNCDCR-LSDHHAIUSA-N 1 3 339.911 3.178 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001482469154 1395024087 /nfs/dbraw/zinc/02/40/87/1395024087.db2.gz CQRKMTSOZZXBSN-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1c(C)cc(C)cc1C)C(C)C)N(C)C ZINC001482538702 1395078181 /nfs/dbraw/zinc/07/81/81/1395078181.db2.gz VFBCMXKOKDWNBT-VQTJNVASSA-N 1 3 347.547 3.182 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001483840211 1395106789 /nfs/dbraw/zinc/10/67/89/1395106789.db2.gz AIHFBHDHRVXPEP-OAQYLSRUSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001483840211 1395106792 /nfs/dbraw/zinc/10/67/92/1395106792.db2.gz AIHFBHDHRVXPEP-OAQYLSRUSA-N 1 3 349.563 3.366 10 0 EGAEHO CCC1([NH2+]Cc2ccccc2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001484811130 1395546498 /nfs/dbraw/zinc/54/64/98/1395546498.db2.gz VIDSODLEVFITCF-UHFFFAOYSA-N 1 3 343.515 3.032 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC(C)(C)C)N(C)C ZINC001485042983 1395648394 /nfs/dbraw/zinc/64/83/94/1395648394.db2.gz HOAMEBBHNLBGEE-GUDVDZBRSA-N 1 3 345.531 3.135 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001485390255 1395881732 /nfs/dbraw/zinc/88/17/32/1395881732.db2.gz YQDAXWFSNBDTJP-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001485390255 1395881747 /nfs/dbraw/zinc/88/17/47/1395881747.db2.gz YQDAXWFSNBDTJP-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723115 1396117635 /nfs/dbraw/zinc/11/76/35/1396117635.db2.gz XODANTSKXFOWOU-PKOBYXMFSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001503290606 1396250043 /nfs/dbraw/zinc/25/00/43/1396250043.db2.gz KNEUWRRBPFGLAV-ZOCIIQOWSA-N 1 3 349.494 3.028 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001492092408 1396303909 /nfs/dbraw/zinc/30/39/09/1396303909.db2.gz PSXRMDKGPJRTRJ-AZUAARDMSA-N 1 3 345.531 3.242 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159173 1396389522 /nfs/dbraw/zinc/38/95/22/1396389522.db2.gz IEADSCHZVDQCPU-ICSRJNTNSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159173 1396389527 /nfs/dbraw/zinc/38/95/27/1396389527.db2.gz IEADSCHZVDQCPU-ICSRJNTNSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1)C1CCC1 ZINC001496401980 1396689316 /nfs/dbraw/zinc/68/93/16/1396689316.db2.gz XDVHAMYEPJSUNA-IBGZPJMESA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001497691193 1396785735 /nfs/dbraw/zinc/78/57/35/1396785735.db2.gz KLGKDMSTRNLSGS-QULHZPMSSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001699017255 1406849969 /nfs/dbraw/zinc/84/99/69/1406849969.db2.gz MQDRIAVLTCQFFE-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001699017255 1406849977 /nfs/dbraw/zinc/84/99/77/1406849977.db2.gz MQDRIAVLTCQFFE-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001699023493 1406858636 /nfs/dbraw/zinc/85/86/36/1406858636.db2.gz UHLTYAYXENEVNC-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001699023493 1406858637 /nfs/dbraw/zinc/85/86/37/1406858637.db2.gz UHLTYAYXENEVNC-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001498454221 1396999856 /nfs/dbraw/zinc/99/98/56/1396999856.db2.gz AVDKOQCCROUIKG-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001498454221 1396999862 /nfs/dbraw/zinc/99/98/62/1396999862.db2.gz AVDKOQCCROUIKG-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001689365694 1403706797 /nfs/dbraw/zinc/70/67/97/1403706797.db2.gz LCAWMBIQBUZNCC-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001689365694 1403706801 /nfs/dbraw/zinc/70/68/01/1403706801.db2.gz LCAWMBIQBUZNCC-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154360 1404353568 /nfs/dbraw/zinc/35/35/68/1404353568.db2.gz ZBGUOEJPLLMIMG-UXHICEINSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189455 1404391042 /nfs/dbraw/zinc/39/10/42/1404391042.db2.gz UDOFJTBASKCFPM-UCFODXPJSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189455 1404391048 /nfs/dbraw/zinc/39/10/48/1404391048.db2.gz UDOFJTBASKCFPM-UCFODXPJSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001690788118 1404734787 /nfs/dbraw/zinc/73/47/87/1404734787.db2.gz OAUHYRUMSHJCHK-ROUUACIJSA-N 1 3 346.519 3.248 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001690998177 1404914596 /nfs/dbraw/zinc/91/45/96/1404914596.db2.gz FWBGUIQZGGBVHT-HDICACEKSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001690998177 1404914599 /nfs/dbraw/zinc/91/45/99/1404914599.db2.gz FWBGUIQZGGBVHT-HDICACEKSA-N 1 3 345.531 3.231 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001691037498 1404946897 /nfs/dbraw/zinc/94/68/97/1404946897.db2.gz OQPNSRSWWVTTRZ-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001691037498 1404946900 /nfs/dbraw/zinc/94/69/00/1404946900.db2.gz OQPNSRSWWVTTRZ-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691113928 1405054307 /nfs/dbraw/zinc/05/43/07/1405054307.db2.gz YLMQHEIIKQMJGM-MOPGFXCFSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001691353992 1405211442 /nfs/dbraw/zinc/21/14/42/1405211442.db2.gz TUBRAEDBTRSWKW-QYZOEREBSA-N 1 3 337.552 3.266 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001691585948 1405347367 /nfs/dbraw/zinc/34/73/67/1405347367.db2.gz LXHNPJRWHLVRTK-CMZLPQLFSA-N 1 3 335.536 3.090 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001691629853 1405367656 /nfs/dbraw/zinc/36/76/56/1405367656.db2.gz XIAOEBXTGLCNHJ-IDPBEMBBSA-N 1 3 337.552 3.434 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001691683239 1405418815 /nfs/dbraw/zinc/41/88/15/1405418815.db2.gz RIJDZIFFSKKASN-ROUUACIJSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001691689675 1405423950 /nfs/dbraw/zinc/42/39/50/1405423950.db2.gz JNIJIAFZVDIKMD-ASIGSXEYSA-N 1 3 347.547 3.140 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697182 1405429926 /nfs/dbraw/zinc/42/99/26/1405429926.db2.gz UGNXSPAMRCXLOE-CXLYAGSJSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697182 1405429929 /nfs/dbraw/zinc/42/99/29/1405429929.db2.gz UGNXSPAMRCXLOE-CXLYAGSJSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001691798554 1405510840 /nfs/dbraw/zinc/51/08/40/1405510840.db2.gz FWAAFBMPZHYVBY-ICSRJNTNSA-N 1 3 345.531 3.401 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001691798554 1405510843 /nfs/dbraw/zinc/51/08/43/1405510843.db2.gz FWAAFBMPZHYVBY-ICSRJNTNSA-N 1 3 345.531 3.401 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCC2CC2)C1 ZINC001691895816 1405618466 /nfs/dbraw/zinc/61/84/66/1405618466.db2.gz ZKDFLEMHAUNICY-NLWGTHIKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578416 1406188782 /nfs/dbraw/zinc/18/87/82/1406188782.db2.gz UKDZARVRYWRMBA-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578416 1406188787 /nfs/dbraw/zinc/18/87/87/1406188787.db2.gz UKDZARVRYWRMBA-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176359 1428422186 /nfs/dbraw/zinc/42/21/86/1428422186.db2.gz SUYUPSQIUKXDSN-VQTJNVASSA-N 1 3 347.547 3.140 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187889 1428439093 /nfs/dbraw/zinc/43/90/93/1428439093.db2.gz VSUXLWCFBMAPDB-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001732187889 1428439096 /nfs/dbraw/zinc/43/90/96/1428439096.db2.gz VSUXLWCFBMAPDB-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CCC(C)(C)C)CCCC[C@@H]1C ZINC001732261882 1428502136 /nfs/dbraw/zinc/50/21/36/1428502136.db2.gz OZNAEWVPIRRYRY-FXAWDEMLSA-N 1 3 339.568 3.419 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001732367586 1428550936 /nfs/dbraw/zinc/55/09/36/1428550936.db2.gz WNXUGVHNRQOVLL-HKUYNNGSSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732400394 1428566336 /nfs/dbraw/zinc/56/63/36/1428566336.db2.gz RCYGEPLKSLKODY-QZTJIDSGSA-N 1 3 349.563 3.458 10 0 EGAEHO C[C@@H](CN[C@@H](C)c1ccc(Cl)cc1Cl)NC(=O)CC[NH+](C)C ZINC001699418869 1412732857 /nfs/dbraw/zinc/73/28/57/1412732857.db2.gz LPCHBEKEWABRNL-RYUDHWBXSA-N 1 3 346.302 3.100 10 0 EGAEHO CC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001699678865 1413073702 /nfs/dbraw/zinc/07/37/02/1413073702.db2.gz OIOBCTVETLGSGL-OOKSDGMUSA-N 1 3 335.536 3.019 10 0 EGAEHO CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC001699679518 1413073968 /nfs/dbraw/zinc/07/39/68/1413073968.db2.gz DWUORULVQFONOI-XVLXNVKGSA-N 1 3 335.536 3.163 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001699694113 1413102282 /nfs/dbraw/zinc/10/22/82/1413102282.db2.gz ADCLKXXYPKXISW-AUGFPLSNSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001699694113 1413102283 /nfs/dbraw/zinc/10/22/83/1413102283.db2.gz ADCLKXXYPKXISW-AUGFPLSNSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001700142621 1413564952 /nfs/dbraw/zinc/56/49/52/1413564952.db2.gz BPHNUIYGKMXRKG-IRXDYDNUSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203299 1413647477 /nfs/dbraw/zinc/64/74/77/1413647477.db2.gz KGTJZDBVFWLVGM-MOPGFXCFSA-N 1 3 337.552 3.079 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203299 1413647480 /nfs/dbraw/zinc/64/74/80/1413647480.db2.gz KGTJZDBVFWLVGM-MOPGFXCFSA-N 1 3 337.552 3.079 10 0 EGAEHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001700323947 1413791208 /nfs/dbraw/zinc/79/12/08/1413791208.db2.gz PHXOBKSZZFTJDT-UYAOXDASSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001700323947 1413791212 /nfs/dbraw/zinc/79/12/12/1413791212.db2.gz PHXOBKSZZFTJDT-UYAOXDASSA-N 1 3 345.531 3.113 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001700621342 1414291414 /nfs/dbraw/zinc/29/14/14/1414291414.db2.gz RREDVWLOYJNPLE-SFFCAUCYSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001700621342 1414291420 /nfs/dbraw/zinc/29/14/20/1414291420.db2.gz RREDVWLOYJNPLE-SFFCAUCYSA-N 1 3 347.547 3.142 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689324 1414342132 /nfs/dbraw/zinc/34/21/32/1414342132.db2.gz KNFLPQSPYNPAIX-UYAOXDASSA-N 1 3 345.531 3.244 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700780976 1414463261 /nfs/dbraw/zinc/46/32/61/1414463261.db2.gz QJOJZSSYRZZYJT-IUQDWYLOSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C)N(C)C ZINC001700998192 1414648005 /nfs/dbraw/zinc/64/80/05/1414648005.db2.gz MNBMYGZDMMHANV-QZTJIDSGSA-N 1 3 339.568 3.273 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001732608133 1428865528 /nfs/dbraw/zinc/86/55/28/1428865528.db2.gz PPOGOSDATLFBNB-PMACEKPBSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC=C(C)C)C1 ZINC001732608133 1428865530 /nfs/dbraw/zinc/86/55/30/1428865530.db2.gz PPOGOSDATLFBNB-PMACEKPBSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734826 1428935680 /nfs/dbraw/zinc/93/56/80/1428935680.db2.gz UEEMIWGXJGILIK-AEFFLSMTSA-N 1 3 337.552 3.170 10 0 EGAEHO CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001732799473 1428979432 /nfs/dbraw/zinc/97/94/32/1428979432.db2.gz CQQZGBJQQMUSKJ-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039068 1429166957 /nfs/dbraw/zinc/16/69/57/1429166957.db2.gz RQAFRVGTOLVKDF-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001733039068 1429166959 /nfs/dbraw/zinc/16/69/59/1429166959.db2.gz RQAFRVGTOLVKDF-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253612 1417267348 /nfs/dbraw/zinc/26/73/48/1417267348.db2.gz XYUPUTLQJDLBLK-LZKQAESESA-N 1 3 349.563 3.432 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253612 1417267349 /nfs/dbraw/zinc/26/73/49/1417267349.db2.gz XYUPUTLQJDLBLK-LZKQAESESA-N 1 3 349.563 3.432 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001713086304 1417632372 /nfs/dbraw/zinc/63/23/72/1417632372.db2.gz IGINNLHDJVYPOL-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001713086304 1417632375 /nfs/dbraw/zinc/63/23/75/1417632375.db2.gz IGINNLHDJVYPOL-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001713379026 1417989521 /nfs/dbraw/zinc/98/95/21/1417989521.db2.gz MWZKAMGKMYLPOE-YQJUVHNHSA-N 1 3 337.552 3.338 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713738714 1418537377 /nfs/dbraw/zinc/53/73/77/1418537377.db2.gz KMAQCNRFVSZVGS-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713738714 1418537379 /nfs/dbraw/zinc/53/73/79/1418537379.db2.gz KMAQCNRFVSZVGS-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001713900169 1418700340 /nfs/dbraw/zinc/70/03/40/1418700340.db2.gz RCYAFYPZLCYYEL-SFHVURJKSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001713900169 1418700342 /nfs/dbraw/zinc/70/03/42/1418700342.db2.gz RCYAFYPZLCYYEL-SFHVURJKSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714001293 1418781233 /nfs/dbraw/zinc/78/12/33/1418781233.db2.gz USZACJFGIJXJQU-GOSISDBHSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714001293 1418781235 /nfs/dbraw/zinc/78/12/35/1418781235.db2.gz USZACJFGIJXJQU-GOSISDBHSA-N 1 3 337.552 3.364 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001714034242 1418823017 /nfs/dbraw/zinc/82/30/17/1418823017.db2.gz OKOSZRONAIJGJR-NHQAVIFJSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001714034242 1418823021 /nfs/dbraw/zinc/82/30/21/1418823021.db2.gz OKOSZRONAIJGJR-NHQAVIFJSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001714041968 1418831777 /nfs/dbraw/zinc/83/17/77/1418831777.db2.gz QCUDPIZHPCNIAP-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001714041968 1418831780 /nfs/dbraw/zinc/83/17/80/1418831780.db2.gz QCUDPIZHPCNIAP-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714044430 1418836176 /nfs/dbraw/zinc/83/61/76/1418836176.db2.gz QCOOGTARAQYKNE-OALUTQOASA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714044430 1418836187 /nfs/dbraw/zinc/83/61/87/1418836187.db2.gz QCOOGTARAQYKNE-OALUTQOASA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150064 1418955783 /nfs/dbraw/zinc/95/57/83/1418955783.db2.gz JILVXXHINRTJNL-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001714150064 1418955786 /nfs/dbraw/zinc/95/57/86/1418955786.db2.gz JILVXXHINRTJNL-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001714151365 1418957913 /nfs/dbraw/zinc/95/79/13/1418957913.db2.gz MGDZBUXHPYOMSY-INIZCTEOSA-N 1 3 349.494 3.246 10 0 EGAEHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001714173475 1418981312 /nfs/dbraw/zinc/98/13/12/1418981312.db2.gz BFNPDSLUJIZHBE-CTNGQTDRSA-N 1 3 345.531 3.018 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433242 1419165969 /nfs/dbraw/zinc/16/59/69/1419165969.db2.gz BBHFKOGUKMGXPH-MSOLQXFVSA-N 1 3 339.568 3.418 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CCC(C)(C)C ZINC001714594440 1419344421 /nfs/dbraw/zinc/34/44/21/1419344421.db2.gz LHVUTBBCALNCJY-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CCC(C)(C)C ZINC001714594440 1419344425 /nfs/dbraw/zinc/34/44/25/1419344425.db2.gz LHVUTBBCALNCJY-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)CCCC2CCC2)CC1 ZINC001714914431 1419663371 /nfs/dbraw/zinc/66/33/71/1419663371.db2.gz GFMYNSSQGHWNHW-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)CCCC2CCC2)CC1 ZINC001714914431 1419663372 /nfs/dbraw/zinc/66/33/72/1419663372.db2.gz GFMYNSSQGHWNHW-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001715072262 1419807331 /nfs/dbraw/zinc/80/73/31/1419807331.db2.gz UNTMHXRSFBWFIE-MAUKXSAKSA-N 1 3 349.494 3.246 10 0 EGAEHO Cc1ccccc1C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001715159979 1419901662 /nfs/dbraw/zinc/90/16/62/1419901662.db2.gz IKRRPSDTLPQOET-IBGZPJMESA-N 1 3 345.531 3.054 10 0 EGAEHO CCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001715161000 1419902517 /nfs/dbraw/zinc/90/25/17/1419902517.db2.gz LQIJLCSYQZSKAA-MOPGFXCFSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001715538150 1420234592 /nfs/dbraw/zinc/23/45/92/1420234592.db2.gz XNPIHEDYHGHDEJ-HKUYNNGSSA-N 1 3 333.520 3.095 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001715538150 1420234593 /nfs/dbraw/zinc/23/45/93/1420234593.db2.gz XNPIHEDYHGHDEJ-HKUYNNGSSA-N 1 3 333.520 3.095 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026421 1420483464 /nfs/dbraw/zinc/48/34/64/1420483464.db2.gz FHJSIEUGFROHRM-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001716026421 1420483466 /nfs/dbraw/zinc/48/34/66/1420483466.db2.gz FHJSIEUGFROHRM-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716066999 1420524950 /nfs/dbraw/zinc/52/49/50/1420524950.db2.gz KBTGILBTVZVGQC-SJORKVTESA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001716642393 1420798133 /nfs/dbraw/zinc/79/81/33/1420798133.db2.gz LHNVPKBVAGWODT-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001716642396 1420798203 /nfs/dbraw/zinc/79/82/03/1420798203.db2.gz LHNVPKBVAGWODT-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001716711057 1420863807 /nfs/dbraw/zinc/86/38/07/1420863807.db2.gz QJABUVSMSAFWQR-AABGKKOBSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001716711057 1420863811 /nfs/dbraw/zinc/86/38/11/1420863811.db2.gz QJABUVSMSAFWQR-AABGKKOBSA-N 1 3 349.563 3.361 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848291 1420976376 /nfs/dbraw/zinc/97/63/76/1420976376.db2.gz ARTMQDUHDTZQDI-GHTZIAJQSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848291 1420976377 /nfs/dbraw/zinc/97/63/77/1420976377.db2.gz ARTMQDUHDTZQDI-GHTZIAJQSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@H](C(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1)N(C)C ZINC001716885128 1421008784 /nfs/dbraw/zinc/00/87/84/1421008784.db2.gz FWGKBKHJXOKUGD-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716984251 1421061198 /nfs/dbraw/zinc/06/11/98/1421061198.db2.gz FVTHKOBLUWXBBW-MJGOQNOKSA-N 1 3 347.547 3.045 10 0 EGAEHO CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001716999968 1421070609 /nfs/dbraw/zinc/07/06/09/1421070609.db2.gz YBOLQACBVIKTPD-HAGHYFMRSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001716999968 1421070613 /nfs/dbraw/zinc/07/06/13/1421070613.db2.gz YBOLQACBVIKTPD-HAGHYFMRSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001717150223 1421141171 /nfs/dbraw/zinc/14/11/71/1421141171.db2.gz SKUJMZDRUHYKJN-LJQANCHMSA-N 1 3 347.547 3.378 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001717474545 1421407911 /nfs/dbraw/zinc/40/79/11/1421407911.db2.gz OTIOGKWJPCZQCI-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC001717474545 1421407912 /nfs/dbraw/zinc/40/79/12/1421407912.db2.gz OTIOGKWJPCZQCI-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001717652674 1421552032 /nfs/dbraw/zinc/55/20/32/1421552032.db2.gz QRBRFPGGFKHFAC-VJANTYMQSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001717670294 1421559620 /nfs/dbraw/zinc/55/96/20/1421559620.db2.gz CPHSXZNYLVGTHF-HOTGVXAUSA-N 1 3 349.494 3.246 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001717844936 1421659354 /nfs/dbraw/zinc/65/93/54/1421659354.db2.gz AHRCGYCCYJFWHI-UFYCRDLUSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873879 1421681350 /nfs/dbraw/zinc/68/13/50/1421681350.db2.gz WTCJFCMKCJWGAL-MOPGFXCFSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001717895481 1421693276 /nfs/dbraw/zinc/69/32/76/1421693276.db2.gz MTQZZFZPIJIHCQ-IJDCCNJMSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763387 1429981492 /nfs/dbraw/zinc/98/14/92/1429981492.db2.gz JNJFBFBQTFDMOM-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763387 1429981493 /nfs/dbraw/zinc/98/14/93/1429981493.db2.gz JNJFBFBQTFDMOM-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414063 1429617456 /nfs/dbraw/zinc/61/74/56/1429617456.db2.gz XDDCEOWGCSQQFP-UYAOXDASSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414063 1429617461 /nfs/dbraw/zinc/61/74/61/1429617461.db2.gz XDDCEOWGCSQQFP-UYAOXDASSA-N 1 3 335.536 3.188 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC(C)(C)C)C3)CCC1 ZINC001733517163 1429726834 /nfs/dbraw/zinc/72/68/34/1429726834.db2.gz XSJUANLODIGEOQ-KSZLIROESA-N 1 3 349.563 3.266 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC(C)(C)C)C3)CCC1 ZINC001733517163 1429726836 /nfs/dbraw/zinc/72/68/36/1429726836.db2.gz XSJUANLODIGEOQ-KSZLIROESA-N 1 3 349.563 3.266 10 0 EGAEHO CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CN(CC2CCCCC2)C1 ZINC001723781462 1424564773 /nfs/dbraw/zinc/56/47/73/1424564773.db2.gz AKYLSLGGMJSIOD-UHFFFAOYSA-N 1 3 349.563 3.364 10 0 EGAEHO CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CN(CC2CCCCC2)C1 ZINC001723781462 1424564778 /nfs/dbraw/zinc/56/47/78/1424564778.db2.gz AKYLSLGGMJSIOD-UHFFFAOYSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC(CC)C[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001724025273 1424633162 /nfs/dbraw/zinc/63/31/62/1424633162.db2.gz GJFHDWVAHSNFLW-IAGOWNOFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537822 1429744095 /nfs/dbraw/zinc/74/40/95/1429744095.db2.gz IHUWUCSPKQIUJF-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564954 1424916546 /nfs/dbraw/zinc/91/65/46/1424916546.db2.gz VTNSLURYGFLPDI-XLIONFOSSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001724750168 1425120044 /nfs/dbraw/zinc/12/00/44/1425120044.db2.gz RHPWGIWULSHTGO-QFBILLFUSA-N 1 3 349.494 3.043 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001724750168 1425120049 /nfs/dbraw/zinc/12/00/49/1425120049.db2.gz RHPWGIWULSHTGO-QFBILLFUSA-N 1 3 349.494 3.043 10 0 EGAEHO CC1CCC(C[NH2+]C2(CNC(=O)C(C)(C)N3CCCC3)CCC2)CC1 ZINC001724794559 1425161170 /nfs/dbraw/zinc/16/11/70/1425161170.db2.gz PCVZYVJGPFIHIP-UHFFFAOYSA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001724839981 1425188809 /nfs/dbraw/zinc/18/88/09/1425188809.db2.gz VPSSODOFAAWNLY-OBNUAKFSSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001724839981 1425188811 /nfs/dbraw/zinc/18/88/11/1425188811.db2.gz VPSSODOFAAWNLY-OBNUAKFSSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001725061910 1425503278 /nfs/dbraw/zinc/50/32/78/1425503278.db2.gz ZQWPHELSXBIIOF-QGZVFWFLSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001725061910 1425503281 /nfs/dbraw/zinc/50/32/81/1425503281.db2.gz ZQWPHELSXBIIOF-QGZVFWFLSA-N 1 3 325.541 3.076 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCCCC1 ZINC001725099056 1425543876 /nfs/dbraw/zinc/54/38/76/1425543876.db2.gz JQXLADOZMWJRBJ-PMACEKPBSA-N 1 3 349.563 3.364 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCCCC1 ZINC001725099056 1425543878 /nfs/dbraw/zinc/54/38/78/1425543878.db2.gz JQXLADOZMWJRBJ-PMACEKPBSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)=CC[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001725136313 1425610725 /nfs/dbraw/zinc/61/07/25/1425610725.db2.gz FWGWYHAMQBIFRN-UHFFFAOYSA-N 1 3 337.552 3.290 10 0 EGAEHO CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001725138288 1425615053 /nfs/dbraw/zinc/61/50/53/1425615053.db2.gz YHIKATGFGGQERR-AOCRQIFASA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001725171866 1425681471 /nfs/dbraw/zinc/68/14/71/1425681471.db2.gz NUHNGTRMRZWNEB-JXFKEZNVSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001725171866 1425681474 /nfs/dbraw/zinc/68/14/74/1425681474.db2.gz NUHNGTRMRZWNEB-JXFKEZNVSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725179726 1425702842 /nfs/dbraw/zinc/70/28/42/1425702842.db2.gz JJNDIKLISTXETM-LPHOPBHVSA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725179726 1425702846 /nfs/dbraw/zinc/70/28/46/1425702846.db2.gz JJNDIKLISTXETM-LPHOPBHVSA-N 1 3 343.531 3.072 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C\Cl)C(C)C ZINC001725212982 1425775102 /nfs/dbraw/zinc/77/51/02/1425775102.db2.gz KNTHDWOLXDKPRL-BEBBCNLGSA-N 1 3 343.943 3.076 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001725649278 1426331751 /nfs/dbraw/zinc/33/17/51/1426331751.db2.gz GKUPWUGQDCDMRE-MOPGFXCFSA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC001725669151 1426352437 /nfs/dbraw/zinc/35/24/37/1426352437.db2.gz IMLYIYAOUVFIDW-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C(C)(C)C ZINC001725755211 1426434543 /nfs/dbraw/zinc/43/45/43/1426434543.db2.gz FXVIECAFANSJAW-MSOLQXFVSA-N 1 3 339.568 3.273 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1)N1CCCC1 ZINC001731501118 1427481197 /nfs/dbraw/zinc/48/11/97/1427481197.db2.gz PUFFAHPGZBJKMY-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)N1CCCC1 ZINC001731501118 1427481198 /nfs/dbraw/zinc/48/11/98/1427481198.db2.gz PUFFAHPGZBJKMY-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001731548862 1427566064 /nfs/dbraw/zinc/56/60/64/1427566064.db2.gz JYJZXOLXVUZMHQ-RBUKOAKNSA-N 1 3 335.536 3.020 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847913 1428073308 /nfs/dbraw/zinc/07/33/08/1428073308.db2.gz UZOYEGKITIAJAS-OOFWQKGWSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847913 1428073313 /nfs/dbraw/zinc/07/33/13/1428073313.db2.gz UZOYEGKITIAJAS-OOFWQKGWSA-N 1 3 335.536 3.045 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731883175 1428155572 /nfs/dbraw/zinc/15/55/72/1428155572.db2.gz BWBVCZVOQWGXRD-LJQANCHMSA-N 1 3 347.547 3.022 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731883175 1428155573 /nfs/dbraw/zinc/15/55/73/1428155573.db2.gz BWBVCZVOQWGXRD-LJQANCHMSA-N 1 3 347.547 3.022 10 0 EGAEHO CN(CCNCc1cccc(F)c1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731925419 1428172690 /nfs/dbraw/zinc/17/26/90/1428172690.db2.gz JCPYGXMQTGZDIQ-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO CN(CCNCc1cccc(F)c1)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001731925419 1428172694 /nfs/dbraw/zinc/17/26/94/1428172694.db2.gz JCPYGXMQTGZDIQ-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664844 1429858826 /nfs/dbraw/zinc/85/88/26/1429858826.db2.gz CVPBPYOIDGHSGL-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCC[NH2+]C1(CC)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001733807468 1430079721 /nfs/dbraw/zinc/07/97/21/1430079721.db2.gz ZZXIOUAOXWJVBQ-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@H](c1ccccc1F)N1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877439 1437704684 /nfs/dbraw/zinc/70/46/84/1437704684.db2.gz YYZAKWBGLVKVHN-QAPCUYQASA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001734089353 1437874385 /nfs/dbraw/zinc/87/43/85/1437874385.db2.gz ZCTRYQVTNRBPLQ-GOSISDBHSA-N 1 3 335.536 3.068 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001734285450 1438013240 /nfs/dbraw/zinc/01/32/40/1438013240.db2.gz SQYYSMLNVDOFKU-UYAOXDASSA-N 1 3 345.531 3.498 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC001734308925 1438040568 /nfs/dbraw/zinc/04/05/68/1438040568.db2.gz PMOIFFGAVLEZMS-HNAYVOBHSA-N 1 3 349.494 3.054 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001734398378 1438081837 /nfs/dbraw/zinc/08/18/37/1438081837.db2.gz GTYKNCMJZMTEIM-PKOBYXMFSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccc(CN(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C(C)C)cc1 ZINC001734551362 1438149198 /nfs/dbraw/zinc/14/91/98/1438149198.db2.gz DSHWYQKKSULTLA-UHFFFAOYSA-N 1 3 345.531 3.006 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)CN(C)C1CCC1 ZINC001734552007 1438150321 /nfs/dbraw/zinc/15/03/21/1438150321.db2.gz URHVSLLKDNEYKH-UHFFFAOYSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1=CCCCC1)C(=O)CN(C)C1CCC1 ZINC001734552007 1438150322 /nfs/dbraw/zinc/15/03/22/1438150322.db2.gz URHVSLLKDNEYKH-UHFFFAOYSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC001734575111 1438168499 /nfs/dbraw/zinc/16/84/99/1438168499.db2.gz GMMLPTWVMLQWTB-YFPIXMDGSA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000368530119 168369078 /nfs/dbraw/zinc/36/90/78/168369078.db2.gz ISIQGYPORBNCQG-QCFAMHMHSA-N 1 3 329.532 3.217 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CC[NH+](C2CCOCC2)CC1 ZINC000185338349 235643186 /nfs/dbraw/zinc/64/31/86/235643186.db2.gz IUJCXCGAMQOZDY-UHFFFAOYSA-N 1 3 325.456 3.153 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000037644491 213160961 /nfs/dbraw/zinc/16/09/61/213160961.db2.gz TZYUROYDZPQDOY-QWHCGFSZSA-N 1 3 341.293 3.450 10 0 EGAEHO C[C@H]([NH3+])CCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000193320807 240107020 /nfs/dbraw/zinc/10/70/20/240107020.db2.gz VETHDFJNGAPSKM-SFHVURJKSA-N 1 3 343.515 3.161 10 0 EGAEHO CN1CCc2c(c(-c3ccc(F)cc3)nn2CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000078685968 217102530 /nfs/dbraw/zinc/10/25/30/217102530.db2.gz POIDXPFRSRGYLE-KRWDZBQOSA-N 1 3 342.462 3.161 10 0 EGAEHO CN1CCc2c(c(-c3ccc(F)cc3)nn2CC[C@@H]2CCC[N@H+]2C)C1 ZINC000078685968 217102533 /nfs/dbraw/zinc/10/25/33/217102533.db2.gz POIDXPFRSRGYLE-KRWDZBQOSA-N 1 3 342.462 3.161 10 0 EGAEHO CCN1CCN([C@@H](C)CNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000185273611 144109448 /nfs/dbraw/zinc/10/94/48/144109448.db2.gz PFOIFMBQOFEVOU-KRWDZBQOSA-N 1 3 326.488 3.290 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192110264 153242907 /nfs/dbraw/zinc/24/29/07/153242907.db2.gz HLQOWVXCQAQNJJ-YLJYHZDGSA-N 1 3 326.488 3.343 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192110264 153242913 /nfs/dbraw/zinc/24/29/13/153242913.db2.gz HLQOWVXCQAQNJJ-YLJYHZDGSA-N 1 3 326.488 3.343 10 0 EGAEHO COCCCCN1CCCC2(CCC[N@H+](CCCCOC)C2)C1 ZINC000368244184 292320460 /nfs/dbraw/zinc/32/04/60/292320460.db2.gz RFGJXEKWGAODJG-UHFFFAOYSA-N 1 3 326.525 3.018 10 0 EGAEHO COCCCCN1CCCC2(CCC[N@@H+](CCCCOC)C2)C1 ZINC000368244184 292320464 /nfs/dbraw/zinc/32/04/64/292320464.db2.gz RFGJXEKWGAODJG-UHFFFAOYSA-N 1 3 326.525 3.018 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000347008848 156244814 /nfs/dbraw/zinc/24/48/14/156244814.db2.gz JIOXGNZZMWJQGT-HXUWFJFHSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000347008848 156244819 /nfs/dbraw/zinc/24/48/19/156244819.db2.gz JIOXGNZZMWJQGT-HXUWFJFHSA-N 1 3 343.515 3.226 10 0 EGAEHO C[NH+]1CCC([C@H]2CCN(Cc3cnc(-c4ccccn4)s3)C2)CC1 ZINC000349155037 156369021 /nfs/dbraw/zinc/36/90/21/156369021.db2.gz VIJCTLWGHRCPHI-INIZCTEOSA-N 1 3 342.512 3.369 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000372765979 157378706 /nfs/dbraw/zinc/37/87/06/157378706.db2.gz KGQGDRFAPFSQMG-SESVDKBCSA-N 1 3 346.515 3.312 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248990833 163049848 /nfs/dbraw/zinc/04/98/48/163049848.db2.gz NHVHKZNIZXBPMF-XSDIEEQYSA-N 1 3 327.516 3.113 10 0 EGAEHO CC[C@H](C)N[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566553 167194955 /nfs/dbraw/zinc/19/49/55/167194955.db2.gz WAXVDHWHOYAIDN-YESZJQIVSA-N 1 3 335.492 3.090 10 0 EGAEHO CC[C@H](C)N[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000359566553 167194958 /nfs/dbraw/zinc/19/49/58/167194958.db2.gz WAXVDHWHOYAIDN-YESZJQIVSA-N 1 3 335.492 3.090 10 0 EGAEHO CN(c1ccccc1CN[C@H]1CSC1(C)C)C1CC[NH+](C)CC1 ZINC000282654722 275657597 /nfs/dbraw/zinc/65/75/97/275657597.db2.gz IDLFFSGYVBBPOB-SFHVURJKSA-N 1 3 333.545 3.201 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000353249507 288160488 /nfs/dbraw/zinc/16/04/88/288160488.db2.gz MSUGNZHWPPGMRH-LASHMREHSA-N 1 3 338.536 3.061 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1c(F)cccc1F ZINC000353511354 289364694 /nfs/dbraw/zinc/36/46/94/289364694.db2.gz AZGUDTQFQZXPMC-NKGKWGDASA-N 1 3 337.458 3.030 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177968 309065121 /nfs/dbraw/zinc/06/51/21/309065121.db2.gz JKWXXXCSELWHRZ-IRXDYDNUSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177968 309065122 /nfs/dbraw/zinc/06/51/22/309065122.db2.gz JKWXXXCSELWHRZ-IRXDYDNUSA-N 1 3 326.488 3.470 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCSC2)CC1 ZINC000152442006 307752798 /nfs/dbraw/zinc/75/27/98/307752798.db2.gz KRUWDMPQINHJKP-GOSISDBHSA-N 1 3 333.545 3.204 10 0 EGAEHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414305064 309071756 /nfs/dbraw/zinc/07/17/56/309071756.db2.gz NAIDRWITZCIOBD-UXHICEINSA-N 1 3 330.516 3.428 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C(F)(F)F)c(C)c1 ZINC000414360655 309075095 /nfs/dbraw/zinc/07/50/95/309075095.db2.gz GZUJJGRBHGTXNY-OAHLLOKOSA-N 1 3 332.410 3.460 10 0 EGAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378855 307973759 /nfs/dbraw/zinc/97/37/59/307973759.db2.gz BLITXHXPZARUEY-GVDBMIGSSA-N 1 3 339.524 3.096 10 0 EGAEHO c1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000248887146 308014434 /nfs/dbraw/zinc/01/44/34/308014434.db2.gz MKLPQFAKGWALCW-REPLKXPHSA-N 1 3 327.497 3.471 10 0 EGAEHO c1nc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000248887146 308014435 /nfs/dbraw/zinc/01/44/35/308014435.db2.gz MKLPQFAKGWALCW-REPLKXPHSA-N 1 3 327.497 3.471 10 0 EGAEHO CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397760787 308904757 /nfs/dbraw/zinc/90/47/57/308904757.db2.gz KYVUBGUNXPPQDE-MOPGFXCFSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415988491 309153248 /nfs/dbraw/zinc/15/32/48/309153248.db2.gz CXARDEQSGWEGFL-HZPDHXFCSA-N 1 3 344.503 3.169 10 0 EGAEHO CN(C)[C@@H](CC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000416144666 309160730 /nfs/dbraw/zinc/16/07/30/309160730.db2.gz OBKCCYNHLJLSKR-IBGZPJMESA-N 1 3 331.504 3.060 10 0 EGAEHO CN(C)[C@@H](CC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000416144666 309160731 /nfs/dbraw/zinc/16/07/31/309160731.db2.gz OBKCCYNHLJLSKR-IBGZPJMESA-N 1 3 331.504 3.060 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000420297343 309279874 /nfs/dbraw/zinc/27/98/74/309279874.db2.gz CZBMMIMQSFBXEW-LJQANCHMSA-N 1 3 340.467 3.323 10 0 EGAEHO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cnccc1N)Cc1ccccc1 ZINC000422835677 309371112 /nfs/dbraw/zinc/37/11/12/309371112.db2.gz PYTIKSRGBVNNCB-FUHWJXTLSA-N 1 3 326.488 3.098 10 0 EGAEHO COc1ccc([C@H](NC[C@H]2CCCCN2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423077111 309384656 /nfs/dbraw/zinc/38/46/56/309384656.db2.gz SMPFLBXBRYKTIT-NRSPTQNISA-N 1 3 343.515 3.095 10 0 EGAEHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096995 309385799 /nfs/dbraw/zinc/38/57/99/309385799.db2.gz QFVWYJNRBSQCSG-GPFWEFOESA-N 1 3 334.891 3.333 10 0 EGAEHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1)N1CCCCC1 ZINC000423106560 309386301 /nfs/dbraw/zinc/38/63/01/309386301.db2.gz ZZTFLCZJMWJOFP-LCWAXJCOSA-N 1 3 347.547 3.068 10 0 EGAEHO COc1ccc([C@H](C)NCCC[NH2+]Cc2cccnc2)c(C)c1OC ZINC000423189616 309389650 /nfs/dbraw/zinc/38/96/50/309389650.db2.gz PTXJWSSMYKORQG-INIZCTEOSA-N 1 3 343.471 3.238 10 0 EGAEHO C[C@H](CC(=O)N(C)c1ccccc1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423293632 309394315 /nfs/dbraw/zinc/39/43/15/309394315.db2.gz RUTIOFHACSIDQR-CVEARBPZSA-N 1 3 325.456 3.238 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423405424 309398975 /nfs/dbraw/zinc/39/89/75/309398975.db2.gz TXPJYGXMSUDDAN-RWSFTLGLSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423405424 309398976 /nfs/dbraw/zinc/39/89/76/309398976.db2.gz TXPJYGXMSUDDAN-RWSFTLGLSA-N 1 3 329.257 3.107 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCN2CCCC2=O)CC1 ZINC000449062470 310034100 /nfs/dbraw/zinc/03/41/00/310034100.db2.gz LPNLAQZPNLVYFJ-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)CC[NH+]1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000449071352 310034757 /nfs/dbraw/zinc/03/47/57/310034757.db2.gz BCHPEWQAUYFETQ-UHFFFAOYSA-N 1 3 336.332 3.171 10 0 EGAEHO COCC[C@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449140698 310039930 /nfs/dbraw/zinc/03/99/30/310039930.db2.gz JWFCZEKZUGKKSN-IBGZPJMESA-N 1 3 328.541 3.043 10 0 EGAEHO C[C@@H](CC[S@@](C)=O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449184270 310042816 /nfs/dbraw/zinc/04/28/16/310042816.db2.gz HDSCWKPDMMVQMI-OYHNWAKOSA-N 1 3 330.582 3.412 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC1(C)C ZINC000487305171 311019850 /nfs/dbraw/zinc/01/98/50/311019850.db2.gz MJCLYWPATKPHEU-VQIMIIECSA-N 1 3 343.515 3.036 10 0 EGAEHO C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000511032699 312153323 /nfs/dbraw/zinc/15/33/23/312153323.db2.gz TWCRGCWVZDGZPT-APWZRJJASA-N 1 3 334.504 3.219 10 0 EGAEHO Brc1sccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000527698758 312915638 /nfs/dbraw/zinc/91/56/38/312915638.db2.gz CGTFRUQEIBDSRL-UHFFFAOYSA-N 1 3 329.307 3.475 10 0 EGAEHO CCc1ccc2[nH+]ccc(N3CCC(C)(N4CCOCC4)CC3)c2c1 ZINC000528190418 313036233 /nfs/dbraw/zinc/03/62/33/313036233.db2.gz MSYCINPEAWWNSU-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC(F)(F)C1 ZINC000529537019 313349061 /nfs/dbraw/zinc/34/90/61/313349061.db2.gz RXFYTLSFHVBBHN-AWEZNQCLSA-N 1 3 338.442 3.167 10 0 EGAEHO C[C@@H](CCc1ccccc1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000539382620 314310197 /nfs/dbraw/zinc/31/01/97/314310197.db2.gz OBQBWIBNZSPOTF-RBBKRZOGSA-N 1 3 343.559 3.357 10 0 EGAEHO C[C@@H](CCc1ccccc1)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000539382620 314310199 /nfs/dbraw/zinc/31/01/99/314310199.db2.gz OBQBWIBNZSPOTF-RBBKRZOGSA-N 1 3 343.559 3.357 10 0 EGAEHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000563811559 316072644 /nfs/dbraw/zinc/07/26/44/316072644.db2.gz AGYHAGLOYDEUAO-HXUWFJFHSA-N 1 3 332.451 3.498 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[C@@H](C)C2)CC1 ZINC000578953530 325040178 /nfs/dbraw/zinc/04/01/78/325040178.db2.gz FKNULQHCRQEPMY-RTBURBONSA-N 1 3 329.532 3.013 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000581060242 325326061 /nfs/dbraw/zinc/32/60/61/325326061.db2.gz BIKGKKGSWUOIOQ-UHFFFAOYSA-N 1 3 332.492 3.134 10 0 EGAEHO c1nc(CC[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cs1 ZINC000241383377 455267353 /nfs/dbraw/zinc/26/73/53/455267353.db2.gz MUYFVQRVMNTVMC-UHOSZYNNSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000241383377 455267358 /nfs/dbraw/zinc/26/73/58/455267358.db2.gz MUYFVQRVMNTVMC-UHOSZYNNSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000241383377 455267361 /nfs/dbraw/zinc/26/73/61/455267361.db2.gz MUYFVQRVMNTVMC-UHOSZYNNSA-N 1 3 327.497 3.186 10 0 EGAEHO C[C@@H]1CCCCN1CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047144989 454334474 /nfs/dbraw/zinc/33/44/74/454334474.db2.gz VHNDJNJSCYIBJV-GOSISDBHSA-N 1 3 343.515 3.277 10 0 EGAEHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000162215589 454759775 /nfs/dbraw/zinc/75/97/75/454759775.db2.gz RNZVRTQSQRGFDR-ZGXWSNOMSA-N 1 3 328.500 3.444 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929382 455050127 /nfs/dbraw/zinc/05/01/27/455050127.db2.gz CUSVKPCVTSSBKV-APWZRJJASA-N 1 3 328.456 3.376 10 0 EGAEHO C[C@@H]([NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929382 455050129 /nfs/dbraw/zinc/05/01/29/455050129.db2.gz CUSVKPCVTSSBKV-APWZRJJASA-N 1 3 328.456 3.376 10 0 EGAEHO c1nn2ccccc2c1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180039340 455120883 /nfs/dbraw/zinc/12/08/83/455120883.db2.gz JNVVHPAOMDYJDR-UHFFFAOYSA-N 1 3 326.488 3.422 10 0 EGAEHO CN(C[C@H](O)C1CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190613024 455352690 /nfs/dbraw/zinc/35/26/90/455352690.db2.gz FKXAEAJWXROPLE-CTNGQTDRSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@H](O)C1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000190613024 455352692 /nfs/dbraw/zinc/35/26/92/455352692.db2.gz FKXAEAJWXROPLE-CTNGQTDRSA-N 1 3 330.516 3.382 10 0 EGAEHO c1cn(CCCN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000245867472 455388101 /nfs/dbraw/zinc/38/81/01/455388101.db2.gz QNJJPASSZBUQEM-NHCUHLMSSA-N 1 3 338.499 3.260 10 0 EGAEHO c1cn(CCCN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000245867472 455388104 /nfs/dbraw/zinc/38/81/04/455388104.db2.gz QNJJPASSZBUQEM-NHCUHLMSSA-N 1 3 338.499 3.260 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000181944334 455402901 /nfs/dbraw/zinc/40/29/01/455402901.db2.gz GTSSNAUBNVJBTL-LJQANCHMSA-N 1 3 339.474 3.279 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000245933236 455403328 /nfs/dbraw/zinc/40/33/28/455403328.db2.gz IMVRDFSSWYOXHY-WOJBJXKFSA-N 1 3 329.532 3.171 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000245933236 455403332 /nfs/dbraw/zinc/40/33/32/455403332.db2.gz IMVRDFSSWYOXHY-WOJBJXKFSA-N 1 3 329.532 3.171 10 0 EGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000246483229 455499388 /nfs/dbraw/zinc/49/93/88/455499388.db2.gz RKUOZDAWFZLRFK-FOZNTRSISA-N 1 3 339.886 3.297 10 0 EGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000246483229 455499390 /nfs/dbraw/zinc/49/93/90/455499390.db2.gz RKUOZDAWFZLRFK-FOZNTRSISA-N 1 3 339.886 3.297 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185341961 455543308 /nfs/dbraw/zinc/54/33/08/455543308.db2.gz BRPAZQBCBSOOQL-QGZVFWFLSA-N 1 3 325.456 3.010 10 0 EGAEHO C[C@@H](CCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182601025 455550837 /nfs/dbraw/zinc/55/08/37/455550837.db2.gz DWOSJXCCZDZSIS-WTBLGDFPSA-N 1 3 341.543 3.251 10 0 EGAEHO C[C@@H](CCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182601025 455550840 /nfs/dbraw/zinc/55/08/40/455550840.db2.gz DWOSJXCCZDZSIS-WTBLGDFPSA-N 1 3 341.543 3.251 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccsc1 ZINC000268989286 455755580 /nfs/dbraw/zinc/75/55/80/455755580.db2.gz GOKYCUSPAKTDIN-AYOQOUSVSA-N 1 3 330.497 3.282 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccsc1 ZINC000268989286 455755582 /nfs/dbraw/zinc/75/55/82/455755582.db2.gz GOKYCUSPAKTDIN-AYOQOUSVSA-N 1 3 330.497 3.282 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000252487540 455810590 /nfs/dbraw/zinc/81/05/90/455810590.db2.gz YWDKSTPIWLATPN-GDVKCFTOSA-N 1 3 338.499 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n[nH]1 ZINC000252487540 455810596 /nfs/dbraw/zinc/81/05/96/455810596.db2.gz YWDKSTPIWLATPN-GDVKCFTOSA-N 1 3 338.499 3.149 10 0 EGAEHO [NH3+]C[C@@H]1CN(CCOc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261778669 455946537 /nfs/dbraw/zinc/94/65/37/455946537.db2.gz PJMHVLDSUKVLLD-APWZRJJASA-N 1 3 330.859 3.393 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000340475722 456482777 /nfs/dbraw/zinc/48/27/77/456482777.db2.gz NJIGISAJIRFTLB-HXUWFJFHSA-N 1 3 341.503 3.223 10 0 EGAEHO CSC1(CNCc2cnc(CC(C)C)s2)CC[NH+](C)CC1 ZINC000353217869 456567558 /nfs/dbraw/zinc/56/75/58/456567558.db2.gz ZPPJWVOGKNNMCA-UHFFFAOYSA-N 1 3 327.563 3.259 10 0 EGAEHO COC1(C[C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000277057213 456666509 /nfs/dbraw/zinc/66/65/09/456666509.db2.gz HRXIMQXTPHKXEL-ICSRJNTNSA-N 1 3 330.516 3.488 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CN1Cc1ccccc1 ZINC000354794391 457319068 /nfs/dbraw/zinc/31/90/68/457319068.db2.gz KLOJAUSFJSRIHW-HOJAQTOUSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CN1Cc1ccccc1 ZINC000354794391 457319075 /nfs/dbraw/zinc/31/90/75/457319075.db2.gz KLOJAUSFJSRIHW-HOJAQTOUSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H](C)CN(C)C ZINC000425940670 457656125 /nfs/dbraw/zinc/65/61/25/457656125.db2.gz AGQFVOGNAPJKGY-NWDGAFQWSA-N 1 3 331.273 3.307 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NC[C@H](C)C[NH+](C)C ZINC000425940670 457656131 /nfs/dbraw/zinc/65/61/31/457656131.db2.gz AGQFVOGNAPJKGY-NWDGAFQWSA-N 1 3 331.273 3.307 10 0 EGAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C)N(C)C ZINC000357845530 457708937 /nfs/dbraw/zinc/70/89/37/457708937.db2.gz DOACOQRDWSXDBQ-LQWHRVPQSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C)N(C)C ZINC000357845530 457708939 /nfs/dbraw/zinc/70/89/39/457708939.db2.gz DOACOQRDWSXDBQ-LQWHRVPQSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1cccc(NCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000358386785 457969784 /nfs/dbraw/zinc/96/97/84/457969784.db2.gz SPGRDDWYWVBLNG-YLJYHZDGSA-N 1 3 338.499 3.302 10 0 EGAEHO Cc1cccc(NCCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000358386785 457969789 /nfs/dbraw/zinc/96/97/89/457969789.db2.gz SPGRDDWYWVBLNG-YLJYHZDGSA-N 1 3 338.499 3.302 10 0 EGAEHO Cc1cnc([C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428289622 458113468 /nfs/dbraw/zinc/11/34/68/458113468.db2.gz KHLQWVAYNCDZTQ-QGZVFWFLSA-N 1 3 339.487 3.480 10 0 EGAEHO NC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CCCC1 ZINC000423512117 458447719 /nfs/dbraw/zinc/44/77/19/458447719.db2.gz UODMSAMUIJMLPS-WOZUAGRISA-N 1 3 327.516 3.289 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527079 458452714 /nfs/dbraw/zinc/45/27/14/458452714.db2.gz MBRMULPWGZKUFW-BMEVBBHWSA-N 1 3 332.532 3.325 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273028 458601542 /nfs/dbraw/zinc/60/15/42/458601542.db2.gz RXSYZDQPMHPSQD-BIRZXAFVSA-N 1 3 342.527 3.344 10 0 EGAEHO Cc1cccc2c1ncc(C)c2NCC1([NH+]2CCCC2)CCOCC1 ZINC000462482863 458623998 /nfs/dbraw/zinc/62/39/98/458623998.db2.gz BSJITSDXKLBBFC-UHFFFAOYSA-N 1 3 339.483 3.330 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000462791716 458654816 /nfs/dbraw/zinc/65/48/16/458654816.db2.gz LYXHISJITRNEOY-VAMGGRTRSA-N 1 3 346.515 3.312 10 0 EGAEHO CSCc1cc(F)ccc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594496124 459060088 /nfs/dbraw/zinc/06/00/88/459060088.db2.gz HZHSRNHOOCCSAG-GOSISDBHSA-N 1 3 338.492 3.032 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123157 459074534 /nfs/dbraw/zinc/07/45/34/459074534.db2.gz NTMXRFYHIMMZEL-YLFCFFPRSA-N 1 3 339.524 3.094 10 0 EGAEHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000562959120 459681219 /nfs/dbraw/zinc/68/12/19/459681219.db2.gz VCKZDXNMTRYOFE-CSMYWGQOSA-N 1 3 328.847 3.048 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527670214 459694313 /nfs/dbraw/zinc/69/43/13/459694313.db2.gz MALYWZXABLBSDZ-NQERJWCQSA-N 1 3 328.500 3.168 10 0 EGAEHO CC(C)n1ccc(C[C@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)n1 ZINC000573555898 459695682 /nfs/dbraw/zinc/69/56/82/459695682.db2.gz RQAPFQUNRFYWDI-SHNPODPLSA-N 1 3 330.520 3.138 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1nc(-c2ccccc2)no1 ZINC000573858701 459747285 /nfs/dbraw/zinc/74/72/85/459747285.db2.gz SNMKMHZDIDVGHU-BZZMCLGOSA-N 1 3 340.471 3.303 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1nc(-c2ccccc2)no1 ZINC000573858701 459747290 /nfs/dbraw/zinc/74/72/90/459747290.db2.gz SNMKMHZDIDVGHU-BZZMCLGOSA-N 1 3 340.471 3.303 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575195076 459946942 /nfs/dbraw/zinc/94/69/42/459946942.db2.gz ASSVTGVHCQBHRF-KNCCTNLNSA-N 1 3 339.886 3.474 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1(C)C ZINC000623344926 460501076 /nfs/dbraw/zinc/50/10/76/460501076.db2.gz IVZNHCKBRSOAIV-QGZVFWFLSA-N 1 3 341.455 3.494 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1(C)C ZINC000623360075 460508881 /nfs/dbraw/zinc/50/88/81/460508881.db2.gz SJYFHWUCSOYELR-SFHVURJKSA-N 1 3 330.520 3.424 10 0 EGAEHO C[N@@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC1(C)C ZINC000623942887 460789338 /nfs/dbraw/zinc/78/93/38/460789338.db2.gz XMNOLVRGLJINPH-FQEVSTJZSA-N 1 3 345.531 3.176 10 0 EGAEHO C[N@H+]1CC[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC1(C)C ZINC000623942887 460789344 /nfs/dbraw/zinc/78/93/44/460789344.db2.gz XMNOLVRGLJINPH-FQEVSTJZSA-N 1 3 345.531 3.176 10 0 EGAEHO NC1(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CCOCC1 ZINC000629525434 460795612 /nfs/dbraw/zinc/79/56/12/460795612.db2.gz UPLYQPWKVNZVRH-LJQANCHMSA-N 1 3 346.421 3.346 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000629529005 460797129 /nfs/dbraw/zinc/79/71/29/460797129.db2.gz OYHKJOZKTLMJRY-ZDUSSCGKSA-N 1 3 338.398 3.328 10 0 EGAEHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCCOCCC[NH3+] ZINC000629542487 460800720 /nfs/dbraw/zinc/80/07/20/460800720.db2.gz ZANLLOWWYGSLEL-AWEZNQCLSA-N 1 3 333.501 3.443 10 0 EGAEHO CC[C@@H](c1ccc(Br)cc1)N(C)CCOCC[NH2+]C ZINC000629572207 460813147 /nfs/dbraw/zinc/81/31/47/460813147.db2.gz XXGTVVUBAIMDCG-HNNXBMFYSA-N 1 3 329.282 3.068 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000624123988 460873063 /nfs/dbraw/zinc/87/30/63/460873063.db2.gz VFWQBZVRTJGDBI-TZIWHRDSSA-N 1 3 343.559 3.404 10 0 EGAEHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OC1CC1 ZINC000628152655 461020329 /nfs/dbraw/zinc/02/03/29/461020329.db2.gz JRGYAYGBNRUTCP-UHFFFAOYSA-N 1 3 332.488 3.400 10 0 EGAEHO FC(F)(F)c1ccccc1CN(C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250426 461143736 /nfs/dbraw/zinc/14/37/36/461143736.db2.gz HSBOUKKNCLTLCM-HNNXBMFYSA-N 1 3 340.389 3.191 10 0 EGAEHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCO[C@H]1CC1(F)F ZINC000662270844 461158702 /nfs/dbraw/zinc/15/87/02/461158702.db2.gz PVQWSXLYDSSHJS-BZSNNMDCSA-N 1 3 338.442 3.083 10 0 EGAEHO CC(C)[C@@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280060 461163672 /nfs/dbraw/zinc/16/36/72/461163672.db2.gz BXDSYFNLKRIEJM-XJKSGUPXSA-N 1 3 326.843 3.287 10 0 EGAEHO c1ccc(N2CC[C@@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106084 461241361 /nfs/dbraw/zinc/24/13/61/461241361.db2.gz YKTZDBXMUZJZFI-FPOVZHCZSA-N 1 3 327.516 3.463 10 0 EGAEHO CC[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662459478 461251680 /nfs/dbraw/zinc/25/16/80/461251680.db2.gz ZPQVNUHRNPOCTI-RTBURBONSA-N 1 3 343.515 3.060 10 0 EGAEHO c1ccc(N2CC[C@H](C[N@H+]3CC[C@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122058 461256412 /nfs/dbraw/zinc/25/64/12/461256412.db2.gz KJAFNZBQZOUCJE-WOJBJXKFSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122058 461256416 /nfs/dbraw/zinc/25/64/16/461256416.db2.gz KJAFNZBQZOUCJE-WOJBJXKFSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@H](CN3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122058 461256419 /nfs/dbraw/zinc/25/64/19/461256419.db2.gz KJAFNZBQZOUCJE-WOJBJXKFSA-N 1 3 327.516 3.321 10 0 EGAEHO CC[NH+](CC)[C@H](CNC(=O)C[C@H]1NCc2ccccc21)CC(C)C ZINC000662493119 461268517 /nfs/dbraw/zinc/26/85/17/461268517.db2.gz FUICQGFUOLMLLL-PKOBYXMFSA-N 1 3 331.504 3.094 10 0 EGAEHO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)CC(C)C ZINC000662493118 461269188 /nfs/dbraw/zinc/26/91/88/461269188.db2.gz FUICQGFUOLMLLL-MJGOQNOKSA-N 1 3 331.504 3.094 10 0 EGAEHO C[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000659292984 461279535 /nfs/dbraw/zinc/27/95/35/461279535.db2.gz SZVTVQFFBLQCBU-MDZRGWNJSA-N 1 3 343.515 3.058 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)C1 ZINC000668488710 461303512 /nfs/dbraw/zinc/30/35/12/461303512.db2.gz DVHYSSVHFWCDDC-HXUWFJFHSA-N 1 3 344.886 3.239 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646694126 461372882 /nfs/dbraw/zinc/37/28/82/461372882.db2.gz ZHTKOXZVHDIFMY-RTBURBONSA-N 1 3 331.504 3.191 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000646694126 461372892 /nfs/dbraw/zinc/37/28/92/461372892.db2.gz ZHTKOXZVHDIFMY-RTBURBONSA-N 1 3 331.504 3.191 10 0 EGAEHO Cn1c2ccc(C(F)(F)F)cc2nc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827647 461482449 /nfs/dbraw/zinc/48/24/49/461482449.db2.gz WGJQYEBCTWMDQQ-BJHJDKERSA-N 1 3 340.393 3.022 10 0 EGAEHO CN1CC=C(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647199183 461560006 /nfs/dbraw/zinc/56/00/06/461560006.db2.gz QODAHQBXNKSPHN-FQEVSTJZSA-N 1 3 325.500 3.035 10 0 EGAEHO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)[C@H]21 ZINC000631191920 461630127 /nfs/dbraw/zinc/63/01/27/461630127.db2.gz ISISQDGBWMXSMU-GLTXGFNMSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)[C@H]21 ZINC000631191920 461630138 /nfs/dbraw/zinc/63/01/38/461630138.db2.gz ISISQDGBWMXSMU-GLTXGFNMSA-N 1 3 347.300 3.304 10 0 EGAEHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199755 461644805 /nfs/dbraw/zinc/64/48/05/461644805.db2.gz BZDVBQSRFMOXMG-GJZGRUSLSA-N 1 3 328.378 3.476 10 0 EGAEHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CC(C2CCOCC2)C1 ZINC000669715713 461777270 /nfs/dbraw/zinc/77/72/70/461777270.db2.gz GIUKZVRFMUCYEX-UHFFFAOYSA-N 1 3 344.499 3.020 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(N2CCOCC2)c1 ZINC000650758027 461938516 /nfs/dbraw/zinc/93/85/16/461938516.db2.gz HEPCKJJLBBQICD-QGZVFWFLSA-N 1 3 339.483 3.093 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000644532041 461973189 /nfs/dbraw/zinc/97/31/89/461973189.db2.gz VKMBKODROPETNL-OALUTQOASA-N 1 3 348.531 3.260 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cscc1C(F)(F)F ZINC000657573404 462187393 /nfs/dbraw/zinc/18/73/93/462187393.db2.gz MPTADNDOKJDCGW-LBPRGKRZSA-N 1 3 337.455 3.129 10 0 EGAEHO CN(c1ccccc1C[NH2+]C[C@@]1(C)CC1(F)F)C1CCN(C)CC1 ZINC000657666600 462223138 /nfs/dbraw/zinc/22/31/38/462223138.db2.gz VBGMUBRURSQCFU-GOSISDBHSA-N 1 3 337.458 3.352 10 0 EGAEHO CC(C)[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658068807 462365924 /nfs/dbraw/zinc/36/59/24/462365924.db2.gz AAAILYMWDONWBE-FQEVSTJZSA-N 1 3 349.494 3.398 10 0 EGAEHO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138888 462401579 /nfs/dbraw/zinc/40/15/79/462401579.db2.gz ORWCPFSGVFJXLW-WMLDXEAASA-N 1 3 344.421 3.464 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)cc2)C1 ZINC000658138918 462402646 /nfs/dbraw/zinc/40/26/46/462402646.db2.gz PAIOZKFJIODWAG-QHAWAJNXSA-N 1 3 328.500 3.312 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142714 462405317 /nfs/dbraw/zinc/40/53/17/462405317.db2.gz WDVLGFTYMHKIHZ-TZIWHRDSSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142714 462405319 /nfs/dbraw/zinc/40/53/19/462405319.db2.gz WDVLGFTYMHKIHZ-TZIWHRDSSA-N 1 3 340.442 3.169 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C[C@H]2C1 ZINC000658167008 462416905 /nfs/dbraw/zinc/41/69/05/462416905.db2.gz WYDUANJBQUHBRP-FRTGENFJSA-N 1 3 343.515 3.087 10 0 EGAEHO CN(CCN(Cc1ccccc1)C[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000649414285 462502894 /nfs/dbraw/zinc/50/28/94/462502894.db2.gz QAFAJYMTUKOKIB-JOCHJYFZSA-N 1 3 337.511 3.230 10 0 EGAEHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000356859343 535889070 /nfs/dbraw/zinc/88/90/70/535889070.db2.gz XTVOUSMCOHZDMK-UXHICEINSA-N 1 3 343.515 3.036 10 0 EGAEHO CO[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1C ZINC000682245885 550086212 /nfs/dbraw/zinc/08/62/12/550086212.db2.gz VMZRLYLXISKIIV-XLIONFOSSA-N 1 3 332.488 3.018 10 0 EGAEHO COCCC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091317636 1292833408 /nfs/dbraw/zinc/83/34/08/1292833408.db2.gz WHSMGCHXZYDBMY-HXUWFJFHSA-N 1 3 332.488 3.237 10 0 EGAEHO CC(C)=CCN1CCN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1CCO ZINC000106950343 1293055166 /nfs/dbraw/zinc/05/51/66/1293055166.db2.gz WLBYKHXXGIETEX-SFHVURJKSA-N 1 3 339.483 3.382 10 0 EGAEHO C[C@H](NC(=O)[C@H](C)N(C)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000872155227 1296771562 /nfs/dbraw/zinc/77/15/62/1296771562.db2.gz OPTRSPPUOIZFGU-GJZGRUSLSA-N 1 3 339.911 3.357 10 0 EGAEHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)CCCCCC[NH3+] ZINC000872154986 1296773820 /nfs/dbraw/zinc/77/38/20/1296773820.db2.gz ILCYJEJZRBULRM-INIZCTEOSA-N 1 3 345.487 3.403 10 0 EGAEHO CCn1cc(CN2CCC(Cc3ccc(C[NH+](C)C)cc3)CC2)cn1 ZINC000581810119 1298018214 /nfs/dbraw/zinc/01/82/14/1298018214.db2.gz YOIPHSMKVODJDJ-UHFFFAOYSA-N 1 3 340.515 3.419 10 0 EGAEHO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526095 1303487448 /nfs/dbraw/zinc/48/74/48/1303487448.db2.gz FDCDPLKFHRWVAD-RKFFNLMFSA-N 1 3 330.516 3.426 10 0 EGAEHO C[C@@H](CC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)N(C)C ZINC000895291027 1309271902 /nfs/dbraw/zinc/27/19/02/1309271902.db2.gz YIJIEBXBHPJWMR-XYTVBORESA-N 1 3 339.524 3.094 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1 ZINC000897817845 1310478101 /nfs/dbraw/zinc/47/81/01/1310478101.db2.gz BROALDJEGAEKFW-QJDFYSGISA-N 1 3 338.495 3.053 10 0 EGAEHO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000857841506 1328601233 /nfs/dbraw/zinc/60/12/33/1328601233.db2.gz DDHVQNMAFGBPMC-UHFFFAOYSA-N 1 3 330.476 3.141 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110686 1328685888 /nfs/dbraw/zinc/68/58/88/1328685888.db2.gz YCRUXRLAOXNTJD-DOMZBBRYSA-N 1 3 330.394 3.201 10 0 EGAEHO FC(F)(F)c1ccc(CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923304184 1322729548 /nfs/dbraw/zinc/72/95/48/1322729548.db2.gz OOKFWPQYHUCFOI-INIZCTEOSA-N 1 3 340.389 3.048 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC2CC2)[C@@H]2CCCC[C@@H]12 ZINC000923312071 1322731716 /nfs/dbraw/zinc/73/17/16/1322731716.db2.gz HLKZPAYAKOUMBK-FLFBIERCSA-N 1 3 349.563 3.312 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC2CC2)[C@@H]2CCCC[C@@H]12 ZINC000923312071 1322731719 /nfs/dbraw/zinc/73/17/19/1322731719.db2.gz HLKZPAYAKOUMBK-FLFBIERCSA-N 1 3 349.563 3.312 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000924941575 1323222720 /nfs/dbraw/zinc/22/27/20/1323222720.db2.gz YJEYORUAJFPFQU-CEMLEFRQSA-N 1 3 342.527 3.346 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccnn2C2CCC2)[C@H](C)C1 ZINC000925079676 1323270543 /nfs/dbraw/zinc/27/05/43/1323270543.db2.gz YIQJREZXKOBQDJ-AOIWGVFYSA-N 1 3 348.535 3.396 10 0 EGAEHO C[NH+](C)CC1(O)CCN(Cc2ccc(Cl)c3ccccc23)CC1 ZINC000931480639 1329127628 /nfs/dbraw/zinc/12/76/28/1329127628.db2.gz HEHAOKBADRYWLX-UHFFFAOYSA-N 1 3 332.875 3.382 10 0 EGAEHO C[C@@H](c1ccc(CN2CCC(O)(C[NH+](C)C)CC2)cc1)C(F)(F)F ZINC000931481584 1329128116 /nfs/dbraw/zinc/12/81/16/1329128116.db2.gz UGAAGXMDXZAPSD-AWEZNQCLSA-N 1 3 344.421 3.241 10 0 EGAEHO COc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)cc1OC ZINC000925482088 1325170284 /nfs/dbraw/zinc/17/02/84/1325170284.db2.gz PVEPZQXCOJOGGA-IPELMVKDSA-N 1 3 332.488 3.003 10 0 EGAEHO CN(C)Cc1cc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1F ZINC000925497181 1325177483 /nfs/dbraw/zinc/17/74/83/1325177483.db2.gz FNFRXGBKOIAHOM-ICSRJNTNSA-N 1 3 333.495 3.145 10 0 EGAEHO [NH3+][C@H]1C[C@@H](NCC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498754 1325177692 /nfs/dbraw/zinc/17/76/92/1325177692.db2.gz SDOABQSPEGNXTP-LSDHHAIUSA-N 1 3 335.289 3.340 10 0 EGAEHO C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535618 1325196566 /nfs/dbraw/zinc/19/65/66/1325196566.db2.gz ZVSFNFIADXDNKR-BYCMXARLSA-N 1 3 339.277 3.076 10 0 EGAEHO Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)C2)cc1 ZINC000925562615 1325211261 /nfs/dbraw/zinc/21/12/61/1325211261.db2.gz IGCDIHYKUAOQFY-TYCQWZJGSA-N 1 3 345.506 3.410 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCN(CC(C)C)C2)n(C)n1 ZINC000925589177 1325222985 /nfs/dbraw/zinc/22/29/85/1325222985.db2.gz VZHNTGWSCKRBHS-DYXWJJEUSA-N 1 3 346.563 3.397 10 0 EGAEHO CC1(C)[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925639833 1325243120 /nfs/dbraw/zinc/24/31/20/1325243120.db2.gz NMUCVVGQEGDVKV-TUKJNDCMSA-N 1 3 328.500 3.183 10 0 EGAEHO Cc1nccn1-c1ccc([C@@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774945 1325295818 /nfs/dbraw/zinc/29/58/18/1325295818.db2.gz APADKILXBXMRIZ-CZUORRHYSA-N 1 3 334.414 3.076 10 0 EGAEHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925774945 1325295832 /nfs/dbraw/zinc/29/58/32/1325295832.db2.gz APADKILXBXMRIZ-CZUORRHYSA-N 1 3 334.414 3.076 10 0 EGAEHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1OCC ZINC000925780208 1325299616 /nfs/dbraw/zinc/29/96/16/1325299616.db2.gz SBSHVMYEYJVSDR-ZFWWWQNUSA-N 1 3 342.430 3.379 10 0 EGAEHO Cc1c([C@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1ccc(Cl)cc1 ZINC000925797980 1325306407 /nfs/dbraw/zinc/30/64/07/1325306407.db2.gz JBHUDJSWASVGSB-VNHYZAJKSA-N 1 3 347.894 3.125 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925881563 1325340925 /nfs/dbraw/zinc/34/09/25/1325340925.db2.gz UHPCQVANBNXYDV-VLIAUNLRSA-N 1 3 325.456 3.203 10 0 EGAEHO C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc([O-])cc(F)c1 ZINC000926677022 1327661469 /nfs/dbraw/zinc/66/14/69/1327661469.db2.gz NJTCRGAKUDOLSW-AWEZNQCLSA-N 1 3 336.451 3.073 10 0 EGAEHO CC(C)CCN1CCC([NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000926890841 1327759790 /nfs/dbraw/zinc/75/97/90/1327759790.db2.gz XCIDDJXYPQDBCO-MEMLXQNLSA-N 1 3 330.516 3.179 10 0 EGAEHO CC(C)CC[NH+]1CCC(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000926890841 1327759793 /nfs/dbraw/zinc/75/97/93/1327759793.db2.gz XCIDDJXYPQDBCO-MEMLXQNLSA-N 1 3 330.516 3.179 10 0 EGAEHO C[NH+](C)CC[C@H](N[C@H]1CCC[C@H]1Cc1ccccn1)c1cccnc1 ZINC000926902565 1327765949 /nfs/dbraw/zinc/76/59/49/1327765949.db2.gz YWNJDYVLMWTJNY-YYWHXJBOSA-N 1 3 338.499 3.470 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)C ZINC001323161870 1387304792 /nfs/dbraw/zinc/30/47/92/1387304792.db2.gz QBYDQOSTOYNTKN-ROUUACIJSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001324518501 1387658884 /nfs/dbraw/zinc/65/88/84/1387658884.db2.gz VMAXVDJULDKDLX-LJQANCHMSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960678 1387855326 /nfs/dbraw/zinc/85/53/26/1387855326.db2.gz IGJDXAHWJKOJRK-NQIIRXRSSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960678 1387855329 /nfs/dbraw/zinc/85/53/29/1387855329.db2.gz IGJDXAHWJKOJRK-NQIIRXRSSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCCC2CCC2)CCC1)N1CCCCC1 ZINC001326822630 1388322059 /nfs/dbraw/zinc/32/20/59/1388322059.db2.gz OALLOMDXKXNLOA-UHFFFAOYSA-N 1 3 349.563 3.460 10 0 EGAEHO C[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)N1CCCCCC1 ZINC001326900387 1388344119 /nfs/dbraw/zinc/34/41/19/1388344119.db2.gz SBGKSOKVFDMTCM-SFHVURJKSA-N 1 3 347.547 3.380 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CCC1CCCCC1 ZINC001265978627 1377174772 /nfs/dbraw/zinc/17/47/72/1377174772.db2.gz SLSYTEXTQXUSOY-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CCC1CCCCC1 ZINC001265978627 1377174770 /nfs/dbraw/zinc/17/47/70/1377174770.db2.gz SLSYTEXTQXUSOY-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1)N(C)C ZINC001266223687 1377235780 /nfs/dbraw/zinc/23/57/80/1377235780.db2.gz VJVUCBWNXIHMMO-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1)N(C)C ZINC001266223687 1377235783 /nfs/dbraw/zinc/23/57/83/1377235783.db2.gz VJVUCBWNXIHMMO-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001266361258 1377296246 /nfs/dbraw/zinc/29/62/46/1377296246.db2.gz JXTIZOHODFOVQQ-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001266361258 1377296247 /nfs/dbraw/zinc/29/62/47/1377296247.db2.gz JXTIZOHODFOVQQ-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001141779302 1378374859 /nfs/dbraw/zinc/37/48/59/1378374859.db2.gz ANVJVQQKRLOQQN-PXNSSMCTSA-N 1 3 347.547 3.192 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C1 ZINC001282957674 1378684831 /nfs/dbraw/zinc/68/48/31/1378684831.db2.gz IGOGBXLYIXQAQM-GUDVDZBRSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C(C)C)C[C@H]2C1 ZINC001282957674 1378684833 /nfs/dbraw/zinc/68/48/33/1378684833.db2.gz IGOGBXLYIXQAQM-GUDVDZBRSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001283101051 1378732366 /nfs/dbraw/zinc/73/23/66/1378732366.db2.gz CWOMUIUDQRYUPQ-AFYVEPGGSA-N 1 3 345.531 3.208 10 0 EGAEHO C[C@@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001283188510 1378757199 /nfs/dbraw/zinc/75/71/99/1378757199.db2.gz IBOWIPSJKPXUSK-JXFKEZNVSA-N 1 3 343.515 3.033 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001284104221 1379476754 /nfs/dbraw/zinc/47/67/54/1379476754.db2.gz WUDSVRSMXYKZKF-ZCNNSNEGSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CCC1 ZINC001284291937 1379679634 /nfs/dbraw/zinc/67/96/34/1379679634.db2.gz NDOACJNFMYUPID-GOSISDBHSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCCCC1 ZINC001284630361 1380033502 /nfs/dbraw/zinc/03/35/02/1380033502.db2.gz GJMLRZJCALKNHH-WMZOPIPTSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001284629970 1380033604 /nfs/dbraw/zinc/03/36/04/1380033604.db2.gz BVVAOVHORAHIMB-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001284653592 1380069526 /nfs/dbraw/zinc/06/95/26/1380069526.db2.gz SSOOYSUUEGGKKK-OALUTQOASA-N 1 3 345.531 3.135 10 0 EGAEHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284699617 1380114642 /nfs/dbraw/zinc/11/46/42/1380114642.db2.gz ICXKNWPMVBQTLB-ZWKOTPCHSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284723075 1380143410 /nfs/dbraw/zinc/14/34/10/1380143410.db2.gz ICXKNWPMVBQTLB-ROUUACIJSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001328859287 1388889574 /nfs/dbraw/zinc/88/95/74/1388889574.db2.gz ODEGPNRKQZJIIY-SOAGJPPSSA-N 1 3 347.547 3.234 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810852 1384606971 /nfs/dbraw/zinc/60/69/71/1384606971.db2.gz JQICKQLQHDYFDA-JTGQJZMRSA-N 1 3 346.519 3.224 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810852 1384606988 /nfs/dbraw/zinc/60/69/88/1384606988.db2.gz JQICKQLQHDYFDA-JTGQJZMRSA-N 1 3 346.519 3.224 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001316811267 1384608193 /nfs/dbraw/zinc/60/81/93/1384608193.db2.gz KSCLYZZXJRZQAR-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001316811267 1384608196 /nfs/dbraw/zinc/60/81/96/1384608196.db2.gz KSCLYZZXJRZQAR-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)c1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001317179584 1384954243 /nfs/dbraw/zinc/95/42/43/1384954243.db2.gz UWBWDRFYVGCMQB-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001317183349 1384959120 /nfs/dbraw/zinc/95/91/20/1384959120.db2.gz QAAGQYDALGEWMS-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001317183351 1384959225 /nfs/dbraw/zinc/95/92/25/1384959225.db2.gz QAAGQYDALGEWMS-SFHVURJKSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317351002 1385100128 /nfs/dbraw/zinc/10/01/28/1385100128.db2.gz NRQGDIGIZSFKBD-IKSUFZCESA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001317409331 1385120710 /nfs/dbraw/zinc/12/07/10/1385120710.db2.gz UFTBIFCWTNHAAK-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317527465 1385249784 /nfs/dbraw/zinc/24/97/84/1385249784.db2.gz DEYZTUKWUYZPTA-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317527465 1385249786 /nfs/dbraw/zinc/24/97/86/1385249786.db2.gz DEYZTUKWUYZPTA-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534672 1385264697 /nfs/dbraw/zinc/26/46/97/1385264697.db2.gz DBUWGQAJBNTPAK-RTBURBONSA-N 1 3 345.531 3.143 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534672 1385264698 /nfs/dbraw/zinc/26/46/98/1385264698.db2.gz DBUWGQAJBNTPAK-RTBURBONSA-N 1 3 345.531 3.143 10 0 EGAEHO CCCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001317684586 1385395361 /nfs/dbraw/zinc/39/53/61/1385395361.db2.gz SPUTXJWPMBYILA-QGZVFWFLSA-N 1 3 345.531 3.379 10 0 EGAEHO CN(CC(=O)N1CCC(CC[NH2+]CC2CCCCC2)CC1)C1CCC1 ZINC001318896558 1385872717 /nfs/dbraw/zinc/87/27/17/1385872717.db2.gz PJTPZARGZATWHZ-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CCC2CCCC2)CC1 ZINC001318938790 1385889272 /nfs/dbraw/zinc/88/92/72/1385889272.db2.gz YIVVQJOEZCSQAG-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698626722 1406268641 /nfs/dbraw/zinc/26/86/41/1406268641.db2.gz MORYXOKHYPQECO-SFHVURJKSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001320135004 1386530877 /nfs/dbraw/zinc/53/08/77/1386530877.db2.gz SZNBDQQBZOHXPV-MSOLQXFVSA-N 1 3 337.552 3.316 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320156153 1386539643 /nfs/dbraw/zinc/53/96/43/1386539643.db2.gz WOMPJMCHMRJZJM-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO CN(CCC[NH2+]CC1CCC(C)(C)CC1)C(=O)CN(C)C1CCC1 ZINC001322544313 1387203147 /nfs/dbraw/zinc/20/31/47/1387203147.db2.gz VVWQVPPNAPENEF-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001329204193 1389021522 /nfs/dbraw/zinc/02/15/22/1389021522.db2.gz XTDUNYRMKOTJPE-IRXDYDNUSA-N 1 3 341.499 3.163 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001331491822 1389770085 /nfs/dbraw/zinc/77/00/85/1389770085.db2.gz WWORHSVSZJHFQB-QFBILLFUSA-N 1 3 347.547 3.261 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651343 1389848005 /nfs/dbraw/zinc/84/80/05/1389848005.db2.gz XBQITSPPCSUNJS-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C)N(C)C ZINC001332882092 1390208218 /nfs/dbraw/zinc/20/82/18/1390208218.db2.gz QYDCTHFCKSEGMM-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049941 1390467432 /nfs/dbraw/zinc/46/74/32/1390467432.db2.gz VKTPEDJBCZEFNP-TWOQFEAHSA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)O2 ZINC001334049941 1390467434 /nfs/dbraw/zinc/46/74/34/1390467434.db2.gz VKTPEDJBCZEFNP-TWOQFEAHSA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C3CCC3)C1)O2 ZINC001334049941 1390467438 /nfs/dbraw/zinc/46/74/38/1390467438.db2.gz VKTPEDJBCZEFNP-TWOQFEAHSA-N 1 3 344.499 3.241 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001479495006 1392256667 /nfs/dbraw/zinc/25/66/67/1392256667.db2.gz LPEQTALMMMZJOJ-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCC ZINC001479616708 1392289512 /nfs/dbraw/zinc/28/95/12/1392289512.db2.gz HHQLWJHITLGEEZ-YRPNKDGESA-N 1 3 349.563 3.077 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCC ZINC001479616708 1392289513 /nfs/dbraw/zinc/28/95/13/1392289513.db2.gz HHQLWJHITLGEEZ-YRPNKDGESA-N 1 3 349.563 3.077 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1Cc1ccc(C)cc1 ZINC001479645107 1392303971 /nfs/dbraw/zinc/30/39/71/1392303971.db2.gz JFRBVTNZAUJZOO-ZCNNSNEGSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1Cc1ccc(C)cc1 ZINC001479645107 1392303977 /nfs/dbraw/zinc/30/39/77/1392303977.db2.gz JFRBVTNZAUJZOO-ZCNNSNEGSA-N 1 3 345.531 3.050 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001479672735 1392312699 /nfs/dbraw/zinc/31/26/99/1392312699.db2.gz NKKRFQZNJBKLRB-LSWULPBNSA-N 1 3 349.563 3.099 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001479672735 1392312702 /nfs/dbraw/zinc/31/27/02/1392312702.db2.gz NKKRFQZNJBKLRB-LSWULPBNSA-N 1 3 349.563 3.099 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001479797165 1392396196 /nfs/dbraw/zinc/39/61/96/1392396196.db2.gz VDNCXTGWTGJDLJ-HKUYNNGSSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001479797165 1392396201 /nfs/dbraw/zinc/39/62/01/1392396201.db2.gz VDNCXTGWTGJDLJ-HKUYNNGSSA-N 1 3 333.520 3.143 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001479984822 1392517390 /nfs/dbraw/zinc/51/73/90/1392517390.db2.gz HVXSQLUXHSESLW-CWDJHMJFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH]cn2)CC1 ZINC001479995959 1392527524 /nfs/dbraw/zinc/52/75/24/1392527524.db2.gz YWJWOCISAWBUCP-AATRIKPKSA-N 1 3 332.492 3.012 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)N1CCCCCC1 ZINC001480051389 1392551872 /nfs/dbraw/zinc/55/18/72/1392551872.db2.gz QIILDZPTZQDXRD-PXNSSMCTSA-N 1 3 347.547 3.236 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001480287573 1392660442 /nfs/dbraw/zinc/66/04/42/1392660442.db2.gz ZQMDTDQBKJQVFV-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384972 1392729708 /nfs/dbraw/zinc/72/97/08/1392729708.db2.gz YWAZLHLEJHORIG-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384972 1392729709 /nfs/dbraw/zinc/72/97/09/1392729709.db2.gz YWAZLHLEJHORIG-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001480410425 1392746686 /nfs/dbraw/zinc/74/66/86/1392746686.db2.gz IXOYZJMTFUIRDI-UHFFFAOYSA-N 1 3 325.541 3.172 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700931 1392864376 /nfs/dbraw/zinc/86/43/76/1392864376.db2.gz ZIDCIFSZJWCPHX-OALUTQOASA-N 1 3 349.563 3.458 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703351 1392866840 /nfs/dbraw/zinc/86/68/40/1392866840.db2.gz YGRWAHDYIUCIDN-RBUKOAKNSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001481054176 1393107678 /nfs/dbraw/zinc/10/76/78/1393107678.db2.gz LPVJRHHLZHVPSE-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO C[C@@H]([NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001481278811 1393157352 /nfs/dbraw/zinc/15/73/52/1393157352.db2.gz ABKWNIXJJGSQFT-UZLBHIALSA-N 1 3 349.494 3.008 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001698920627 1406655531 /nfs/dbraw/zinc/65/55/31/1406655531.db2.gz NGXZEPYTUFEGJQ-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001481367604 1394207256 /nfs/dbraw/zinc/20/72/56/1394207256.db2.gz WPRJHIINZNIUBY-UXHICEINSA-N 1 3 343.515 3.274 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001481367604 1394207258 /nfs/dbraw/zinc/20/72/58/1394207258.db2.gz WPRJHIINZNIUBY-UXHICEINSA-N 1 3 343.515 3.274 10 0 EGAEHO CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001481432770 1394288217 /nfs/dbraw/zinc/28/82/17/1394288217.db2.gz PUCAVFVUQXEKOW-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001481432770 1394288220 /nfs/dbraw/zinc/28/82/20/1394288220.db2.gz PUCAVFVUQXEKOW-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174264 1394458717 /nfs/dbraw/zinc/45/87/17/1394458717.db2.gz XISLJZVNEIYCKU-ICSRJNTNSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174266 1394458911 /nfs/dbraw/zinc/45/89/11/1394458911.db2.gz XISLJZVNEIYCKU-QUCCMNQESA-N 1 3 347.547 3.047 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001491265000 1394496483 /nfs/dbraw/zinc/49/64/83/1394496483.db2.gz SCCZSIFXKBFEFN-RBUKOAKNSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCc1ccc(CN2CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C2)cc1 ZINC001481773883 1394518221 /nfs/dbraw/zinc/51/82/21/1394518221.db2.gz FGNOFXDHQCQYSV-HXUWFJFHSA-N 1 3 345.531 3.014 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001482070316 1394733659 /nfs/dbraw/zinc/73/36/59/1394733659.db2.gz OOZLSKYBFIPGFH-SFFCAUCYSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001482070316 1394733662 /nfs/dbraw/zinc/73/36/62/1394733662.db2.gz OOZLSKYBFIPGFH-SFFCAUCYSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001482231634 1394826183 /nfs/dbraw/zinc/82/61/83/1394826183.db2.gz UMEGWRVAFRNURV-GOSISDBHSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001482238004 1394833342 /nfs/dbraw/zinc/83/33/42/1394833342.db2.gz CQNCEUFSUSKWPX-UHFFFAOYSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481567 1395035340 /nfs/dbraw/zinc/03/53/40/1395035340.db2.gz ZXYCAHAKVAVZRZ-MSOLQXFVSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501631 1395054274 /nfs/dbraw/zinc/05/42/74/1395054274.db2.gz RGVUZKKYUUZEQR-QUCCMNQESA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001483945834 1395156330 /nfs/dbraw/zinc/15/63/30/1395156330.db2.gz JCGBKEDHTYRCBX-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007298 1395181338 /nfs/dbraw/zinc/18/13/38/1395181338.db2.gz BGCYYNCNLXHOFG-UXHICEINSA-N 1 3 349.563 3.314 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001484176708 1395322424 /nfs/dbraw/zinc/32/24/24/1395322424.db2.gz ZYIQTXITKKHFQL-NRFANRHFSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001484176708 1395322425 /nfs/dbraw/zinc/32/24/25/1395322425.db2.gz ZYIQTXITKKHFQL-NRFANRHFSA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001484398188 1395368726 /nfs/dbraw/zinc/36/87/26/1395368726.db2.gz XEZAOGOGJSFJRC-MXVIHJGJSA-N 1 3 349.563 3.339 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586756 1396062969 /nfs/dbraw/zinc/06/29/69/1396062969.db2.gz QKHSRKSPYVOHMD-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586756 1396062979 /nfs/dbraw/zinc/06/29/79/1396062979.db2.gz QKHSRKSPYVOHMD-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242513 1396188164 /nfs/dbraw/zinc/18/81/64/1396188164.db2.gz LQYIPBFJELEPTN-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[N@H+](CCCC(C)C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001505398331 1396285990 /nfs/dbraw/zinc/28/59/90/1396285990.db2.gz FBTZRYZNTDWJGW-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[N@@H+](CCCC(C)C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001505398331 1396285994 /nfs/dbraw/zinc/28/59/94/1396285994.db2.gz FBTZRYZNTDWJGW-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001494250629 1396409965 /nfs/dbraw/zinc/40/99/65/1396409965.db2.gz HXQHTUUSRXWNHN-FNYRVFDFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001496491641 1396709407 /nfs/dbraw/zinc/70/94/07/1396709407.db2.gz NVZDBYRQNDWUGR-FXAWDEMLSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267994 1396999236 /nfs/dbraw/zinc/99/92/36/1396999236.db2.gz VSFKTQIVQQFYNH-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CC(C)(C)C1 ZINC001689858168 1404173214 /nfs/dbraw/zinc/17/32/14/1404173214.db2.gz FTZCLRCNXSJZIP-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001689858168 1404173220 /nfs/dbraw/zinc/17/32/20/1404173220.db2.gz FTZCLRCNXSJZIP-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001689890694 1404188154 /nfs/dbraw/zinc/18/81/54/1404188154.db2.gz CGDGRSFTBHLOJX-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001689890694 1404188157 /nfs/dbraw/zinc/18/81/57/1404188157.db2.gz CGDGRSFTBHLOJX-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154349 1404353619 /nfs/dbraw/zinc/35/36/19/1404353619.db2.gz ZBGUOEJPLLMIMG-PMACEKPBSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001690391807 1404530934 /nfs/dbraw/zinc/53/09/34/1404530934.db2.gz KBXFSMAHCRVIGM-LJQANCHMSA-N 1 3 335.536 3.047 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001690391807 1404530935 /nfs/dbraw/zinc/53/09/35/1404530935.db2.gz KBXFSMAHCRVIGM-LJQANCHMSA-N 1 3 335.536 3.047 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130529 1425599592 /nfs/dbraw/zinc/59/95/92/1425599592.db2.gz ROVFRUUOHGMMBB-HZPDHXFCSA-N 1 3 325.541 3.026 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001690610390 1404651680 /nfs/dbraw/zinc/65/16/80/1404651680.db2.gz MCFOCGPQJCFJFX-LPHOPBHVSA-N 1 3 343.515 3.033 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001732001004 1428211641 /nfs/dbraw/zinc/21/16/41/1428211641.db2.gz PNTXHRCUXROIHB-SJORKVTESA-N 1 3 339.568 3.227 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732002053 1428212752 /nfs/dbraw/zinc/21/27/52/1428212752.db2.gz ZGVBOFWILSVRBU-SFFCAUCYSA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1)c1ccccc1 ZINC001691107993 1405048353 /nfs/dbraw/zinc/04/83/53/1405048353.db2.gz XUPBSBSJHCKLIV-JENIJYKNSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001691620333 1405361340 /nfs/dbraw/zinc/36/13/40/1405361340.db2.gz JKEINUYPFQUDJF-OALUTQOASA-N 1 3 335.536 3.186 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1c(C)cc(C)cc1C ZINC001691622827 1405363006 /nfs/dbraw/zinc/36/30/06/1405363006.db2.gz AFWCYNPGAHJQIE-HXUWFJFHSA-N 1 3 345.531 3.034 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691757965 1405474973 /nfs/dbraw/zinc/47/49/73/1405474973.db2.gz OXPLDHUXHLDKKO-USTZCAOPSA-N 1 3 337.552 3.170 10 0 EGAEHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC2CCCC2)c2ccccc2)CCC1 ZINC001691787064 1405495983 /nfs/dbraw/zinc/49/59/83/1405495983.db2.gz JRNCILHMQUTWNG-IBGZPJMESA-N 1 3 343.515 3.108 10 0 EGAEHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001691793927 1405504055 /nfs/dbraw/zinc/50/40/55/1405504055.db2.gz IGZBQDBNCHWAMB-MJGOQNOKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001691793927 1405504060 /nfs/dbraw/zinc/50/40/60/1405504060.db2.gz IGZBQDBNCHWAMB-MJGOQNOKSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001691796716 1405507988 /nfs/dbraw/zinc/50/79/88/1405507988.db2.gz MQDXNOZLANLOLM-PXNSSMCTSA-N 1 3 349.494 3.056 10 0 EGAEHO CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001698589169 1406209648 /nfs/dbraw/zinc/20/96/48/1406209648.db2.gz ZGYRMDSXBCYBLO-MOPGFXCFSA-N 1 3 335.536 3.140 10 0 EGAEHO CCc1cccc(C[NH2+][C@H](CC)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001698595867 1406219664 /nfs/dbraw/zinc/21/96/64/1406219664.db2.gz HFNHIAMCMJEODM-WOJBJXKFSA-N 1 3 345.531 3.106 10 0 EGAEHO CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001698608082 1406236726 /nfs/dbraw/zinc/23/67/26/1406236726.db2.gz GSCICXPYLNHKHJ-IBGZPJMESA-N 1 3 345.531 3.108 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001732053356 1428295208 /nfs/dbraw/zinc/29/52/08/1428295208.db2.gz GARYNLYDMNGFRS-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001732053356 1428295209 /nfs/dbraw/zinc/29/52/09/1428295209.db2.gz GARYNLYDMNGFRS-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC001732470019 1428598528 /nfs/dbraw/zinc/59/85/28/1428598528.db2.gz PRTOSJXSGZVAKQ-MSOLQXFVSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001699100671 1412509962 /nfs/dbraw/zinc/50/99/62/1412509962.db2.gz RQRDYEVPGYXYSA-INIZCTEOSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001699105894 1412513109 /nfs/dbraw/zinc/51/31/09/1412513109.db2.gz KDHRIAUESDDXJN-QGZVFWFLSA-N 1 3 345.531 3.279 10 0 EGAEHO Cc1c(C)c(C)c(C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)c(C)c1C ZINC001699432671 1412751060 /nfs/dbraw/zinc/75/10/60/1412751060.db2.gz BNOXXWFYMNUHCI-AWEZNQCLSA-N 1 3 347.547 3.163 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001699533511 1412909859 /nfs/dbraw/zinc/90/98/59/1412909859.db2.gz LSIZGOWUBYAEIQ-PKOBYXMFSA-N 1 3 345.531 3.144 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001699694115 1413101804 /nfs/dbraw/zinc/10/18/04/1413101804.db2.gz ADCLKXXYPKXISW-BVUSGXHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001699694115 1413101808 /nfs/dbraw/zinc/10/18/08/1413101808.db2.gz ADCLKXXYPKXISW-BVUSGXHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001700065469 1413482083 /nfs/dbraw/zinc/48/20/83/1413482083.db2.gz JVGGXYQLRFPEKP-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC1(C)C)C1CCC1 ZINC001700291040 1413742744 /nfs/dbraw/zinc/74/27/44/1413742744.db2.gz FLWNNMJRZKDJHS-IBGZPJMESA-N 1 3 347.547 3.188 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)CC1(C)C)C1CCC1 ZINC001700291040 1413742746 /nfs/dbraw/zinc/74/27/46/1413742746.db2.gz FLWNNMJRZKDJHS-IBGZPJMESA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317269 1413777385 /nfs/dbraw/zinc/77/73/85/1413777385.db2.gz FVUICBGXAOZBKD-SJORKVTESA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCCCF ZINC001700317269 1413777387 /nfs/dbraw/zinc/77/73/87/1413777387.db2.gz FVUICBGXAOZBKD-SJORKVTESA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001700474426 1414098061 /nfs/dbraw/zinc/09/80/61/1414098061.db2.gz OOOYDBDGCXCLRY-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001700474426 1414098064 /nfs/dbraw/zinc/09/80/64/1414098064.db2.gz OOOYDBDGCXCLRY-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001700621344 1414291926 /nfs/dbraw/zinc/29/19/26/1414291926.db2.gz RREDVWLOYJNPLE-VOFKWLDRSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001700621344 1414291930 /nfs/dbraw/zinc/29/19/30/1414291930.db2.gz RREDVWLOYJNPLE-VOFKWLDRSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001700624252 1414295950 /nfs/dbraw/zinc/29/59/50/1414295950.db2.gz TUKBJWTVGZOEDX-GJTMMFKISA-N 1 3 349.563 3.099 10 0 EGAEHO CC/C=C\CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001700624252 1414295952 /nfs/dbraw/zinc/29/59/52/1414295952.db2.gz TUKBJWTVGZOEDX-GJTMMFKISA-N 1 3 349.563 3.099 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001700677345 1414332816 /nfs/dbraw/zinc/33/28/16/1414332816.db2.gz DMCIPTYFYHKPPV-GOSISDBHSA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001700976202 1414612445 /nfs/dbraw/zinc/61/24/45/1414612445.db2.gz KGOVVAKSRABECU-UHFFFAOYSA-N 1 3 349.563 3.243 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001701031656 1414694763 /nfs/dbraw/zinc/69/47/63/1414694763.db2.gz SXELUIFDOZARKT-ABHNRTSZSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001732728793 1428931832 /nfs/dbraw/zinc/93/18/32/1428931832.db2.gz MVNYBZZDWLKCCR-SFHVURJKSA-N 1 3 347.547 3.266 10 0 EGAEHO CCN(CC[NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)Cc1c[nH]cn1 ZINC001732798976 1428979486 /nfs/dbraw/zinc/97/94/86/1428979486.db2.gz WETIWGPQZBEMRA-UHFFFAOYSA-N 1 3 348.535 3.243 10 0 EGAEHO CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)[C@@H]1CCCCN1CC ZINC001732811948 1428990035 /nfs/dbraw/zinc/99/00/35/1428990035.db2.gz HJSRSFRKZJRBNA-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001733014003 1429133676 /nfs/dbraw/zinc/13/36/76/1429133676.db2.gz VDHDSLOQXLZKLC-DOQDTIJOSA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001707062869 1417178197 /nfs/dbraw/zinc/17/81/97/1417178197.db2.gz OCJNCOZICGTRHS-FQEVSTJZSA-N 1 3 345.531 3.331 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001707062869 1417178198 /nfs/dbraw/zinc/17/81/98/1417178198.db2.gz OCJNCOZICGTRHS-FQEVSTJZSA-N 1 3 345.531 3.331 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001707277576 1417284178 /nfs/dbraw/zinc/28/41/78/1417284178.db2.gz ABJPQKQPFKOVTJ-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001707277576 1417284180 /nfs/dbraw/zinc/28/41/80/1417284180.db2.gz ABJPQKQPFKOVTJ-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450127 1417354092 /nfs/dbraw/zinc/35/40/92/1417354092.db2.gz ZGWXPSIMNMWBQL-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045815 1429178822 /nfs/dbraw/zinc/17/88/22/1429178822.db2.gz SEAJTBSDGBHURB-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045815 1429178824 /nfs/dbraw/zinc/17/88/24/1429178824.db2.gz SEAJTBSDGBHURB-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054115 1429194878 /nfs/dbraw/zinc/19/48/78/1429194878.db2.gz NCMGASWHKPEZJZ-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001733054115 1429194881 /nfs/dbraw/zinc/19/48/81/1429194881.db2.gz NCMGASWHKPEZJZ-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CN(C)C1(C(=O)NCCC[N@H+](CC2CCCCCC2)C2CC2)CCC1 ZINC001713038817 1417589629 /nfs/dbraw/zinc/58/96/29/1417589629.db2.gz JHPCYOKTDSCDHD-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(C)C1(C(=O)NCCC[N@@H+](CC2CCCCCC2)C2CC2)CCC1 ZINC001713038817 1417589632 /nfs/dbraw/zinc/58/96/32/1417589632.db2.gz JHPCYOKTDSCDHD-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001713057542 1417612023 /nfs/dbraw/zinc/61/20/23/1417612023.db2.gz RAYAIOJZJHRNER-SREVYHEPSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381383 1417991350 /nfs/dbraw/zinc/99/13/50/1417991350.db2.gz IXKFHOOJSXCRQC-MOPGFXCFSA-N 1 3 349.494 3.013 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001713400679 1418022700 /nfs/dbraw/zinc/02/27/00/1418022700.db2.gz JNYDGWAZOUNYBW-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001713400679 1418022704 /nfs/dbraw/zinc/02/27/04/1418022704.db2.gz JNYDGWAZOUNYBW-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)=CCN(CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001713565887 1418376135 /nfs/dbraw/zinc/37/61/35/1418376135.db2.gz FIUQKMARROAOQG-LJQANCHMSA-N 1 3 335.536 3.044 10 0 EGAEHO CCc1ccc(C[NH+]2CCC(N(C)C(=O)CN(C)C(C)C)CC2)cc1 ZINC001713785058 1418601808 /nfs/dbraw/zinc/60/18/08/1418601808.db2.gz FZSDWWMAIMYDRK-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO CCC/C=C\CC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713901476 1418701532 /nfs/dbraw/zinc/70/15/32/1418701532.db2.gz PNNPVYJBQQLDCZ-SREVYHEPSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713913411 1418709309 /nfs/dbraw/zinc/70/93/09/1418709309.db2.gz XBGLMMIYHJEACK-WCIQWLHISA-N 1 3 349.563 3.218 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001714019368 1418800516 /nfs/dbraw/zinc/80/05/16/1418800516.db2.gz CCEDGSWJEOACKG-RTBURBONSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001714019368 1418800519 /nfs/dbraw/zinc/80/05/19/1418800519.db2.gz CCEDGSWJEOACKG-RTBURBONSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001714043781 1418835638 /nfs/dbraw/zinc/83/56/38/1418835638.db2.gz ZAZZVAPWKJHATP-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001714043781 1418835639 /nfs/dbraw/zinc/83/56/39/1418835639.db2.gz ZAZZVAPWKJHATP-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)NCc1ccccc1F ZINC001714105633 1418905044 /nfs/dbraw/zinc/90/50/44/1418905044.db2.gz BPOZIVMCIHIAFV-IEBWSBKVSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)NCc1ccccc1F ZINC001714105633 1418905046 /nfs/dbraw/zinc/90/50/46/1418905046.db2.gz BPOZIVMCIHIAFV-IEBWSBKVSA-N 1 3 349.494 3.073 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001714155193 1418965366 /nfs/dbraw/zinc/96/53/66/1418965366.db2.gz FBIWRASFOXHEOJ-QUCCMNQESA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001714155193 1418965369 /nfs/dbraw/zinc/96/53/69/1418965369.db2.gz FBIWRASFOXHEOJ-QUCCMNQESA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163772 1418974263 /nfs/dbraw/zinc/97/42/63/1418974263.db2.gz WFOHPXBHXUCBFQ-XLIONFOSSA-N 1 3 337.552 3.170 10 0 EGAEHO CN(CC(=O)N[C@](C)(C[NH2+]CC1=CCCCC1)C1CC1)CC(C)(C)C ZINC001714171811 1418979298 /nfs/dbraw/zinc/97/92/98/1418979298.db2.gz JQZOLJMUGRKTFF-OAQYLSRUSA-N 1 3 349.563 3.339 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001714224763 1419018674 /nfs/dbraw/zinc/01/86/74/1419018674.db2.gz IKUJQIGAOOCTRD-SFHVURJKSA-N 1 3 337.552 3.149 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001714497740 1419222230 /nfs/dbraw/zinc/22/22/30/1419222230.db2.gz YLBQSZVTEZDUEQ-IBGZPJMESA-N 1 3 347.547 3.380 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001714514456 1419241222 /nfs/dbraw/zinc/24/12/22/1419241222.db2.gz YGLXXAQRQUEELM-CALCHBBNSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001714572083 1419305251 /nfs/dbraw/zinc/30/52/51/1419305251.db2.gz JHLMNGHGKJJTGZ-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001714572083 1419305255 /nfs/dbraw/zinc/30/52/55/1419305255.db2.gz JHLMNGHGKJJTGZ-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCCN2CC)cc1 ZINC001714881989 1419618887 /nfs/dbraw/zinc/61/88/87/1419618887.db2.gz PSCGBPYLXCJUIX-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714884483 1419623842 /nfs/dbraw/zinc/62/38/42/1419623842.db2.gz NDHLPCXVPDSBQC-UXHICEINSA-N 1 3 347.547 3.189 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001714884483 1419623844 /nfs/dbraw/zinc/62/38/44/1419623844.db2.gz NDHLPCXVPDSBQC-UXHICEINSA-N 1 3 347.547 3.189 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001715006590 1419736438 /nfs/dbraw/zinc/73/64/38/1419736438.db2.gz CFLUAQWDVFMTNI-HEVSSNLLSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001715006590 1419736440 /nfs/dbraw/zinc/73/64/40/1419736440.db2.gz CFLUAQWDVFMTNI-HEVSSNLLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018579 1419749951 /nfs/dbraw/zinc/74/99/51/1419749951.db2.gz IAMIDCICVRQIIP-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018579 1419749957 /nfs/dbraw/zinc/74/99/57/1419749957.db2.gz IAMIDCICVRQIIP-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001715344002 1420046192 /nfs/dbraw/zinc/04/61/92/1420046192.db2.gz VSBVNRYJQRBTJQ-QFBILLFUSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001715365042 1420062340 /nfs/dbraw/zinc/06/23/40/1420062340.db2.gz REFNZOPWAQTBCN-QFBILLFUSA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001715461052 1420140835 /nfs/dbraw/zinc/14/08/35/1420140835.db2.gz AJIQRWHRDUSBAY-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001715461052 1420140838 /nfs/dbraw/zinc/14/08/38/1420140838.db2.gz AJIQRWHRDUSBAY-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)cc1C ZINC001715578611 1420261009 /nfs/dbraw/zinc/26/10/09/1420261009.db2.gz RTFFBUUOTKDLPK-VQTJNVASSA-N 1 3 345.531 3.018 10 0 EGAEHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715585672 1420261284 /nfs/dbraw/zinc/26/12/84/1420261284.db2.gz FLPQRVFJMGKPSE-SFHVURJKSA-N 1 3 349.563 3.172 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001715961709 1420428425 /nfs/dbraw/zinc/42/84/25/1420428425.db2.gz DWAZLKYQIXKVKY-UZLBHIALSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001715997779 1420452311 /nfs/dbraw/zinc/45/23/11/1420452311.db2.gz VCESONILZZEFKV-KRWDZBQOSA-N 1 3 347.547 3.382 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001716145018 1420541079 /nfs/dbraw/zinc/54/10/79/1420541079.db2.gz CAMNEOMEUUOIBN-ROUUACIJSA-N 1 3 345.531 3.333 10 0 EGAEHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716222376 1420570903 /nfs/dbraw/zinc/57/09/03/1420570903.db2.gz YNDSLZKCXVFWQH-SJORKVTESA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001716222376 1420570905 /nfs/dbraw/zinc/57/09/05/1420570905.db2.gz YNDSLZKCXVFWQH-SJORKVTESA-N 1 3 349.494 3.199 10 0 EGAEHO Cc1cc(CNC/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)cs1 ZINC001716293778 1420595930 /nfs/dbraw/zinc/59/59/30/1420595930.db2.gz LCORKFQDPGQHMN-AATRIKPKSA-N 1 3 349.544 3.083 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269555 1429430734 /nfs/dbraw/zinc/43/07/34/1429430734.db2.gz PGHGLCVHBIYRMP-RBUKOAKNSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269555 1429430740 /nfs/dbraw/zinc/43/07/40/1429430740.db2.gz PGHGLCVHBIYRMP-RBUKOAKNSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001733272374 1429434815 /nfs/dbraw/zinc/43/48/15/1429434815.db2.gz MIXNTCJQGIZZOB-QBUWPKIASA-N 1 3 335.536 3.020 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001716653946 1420807589 /nfs/dbraw/zinc/80/75/89/1420807589.db2.gz SBNUXMUMOWQGMO-OALUTQOASA-N 1 3 335.536 3.022 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001716653946 1420807592 /nfs/dbraw/zinc/80/75/92/1420807592.db2.gz SBNUXMUMOWQGMO-OALUTQOASA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707511 1420861558 /nfs/dbraw/zinc/86/15/58/1420861558.db2.gz ZOWRTHAKDSWOKY-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707511 1420861561 /nfs/dbraw/zinc/86/15/61/1420861561.db2.gz ZOWRTHAKDSWOKY-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724029 1420881624 /nfs/dbraw/zinc/88/16/24/1420881624.db2.gz BNLPRHMOAXCSIP-KKHYBRAUSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724029 1420881627 /nfs/dbraw/zinc/88/16/27/1420881627.db2.gz BNLPRHMOAXCSIP-KKHYBRAUSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001716727873 1420886191 /nfs/dbraw/zinc/88/61/91/1420886191.db2.gz KKFIEOSRTJQRCW-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H](c1ccccc1F)N1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001716887786 1421011675 /nfs/dbraw/zinc/01/16/75/1421011675.db2.gz ZCVAMHHMJHVAND-MRXNPFEDSA-N 1 3 349.494 3.057 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001716898306 1421026764 /nfs/dbraw/zinc/02/67/64/1421026764.db2.gz SOMWURPBTBEYTQ-HXUWFJFHSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001716898306 1421026765 /nfs/dbraw/zinc/02/67/65/1421026765.db2.gz SOMWURPBTBEYTQ-HXUWFJFHSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001717111180 1421114929 /nfs/dbraw/zinc/11/49/29/1421114929.db2.gz NHFQFOYGZMZOSP-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001717202147 1421170628 /nfs/dbraw/zinc/17/06/28/1421170628.db2.gz NJGGDAWMGOEAOX-LJQANCHMSA-N 1 3 349.494 3.028 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309380 1421252186 /nfs/dbraw/zinc/25/21/86/1421252186.db2.gz LMRNMANMFXBRDF-YMHTTXFNSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309380 1421252189 /nfs/dbraw/zinc/25/21/89/1421252189.db2.gz LMRNMANMFXBRDF-YMHTTXFNSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001717375890 1421317648 /nfs/dbraw/zinc/31/76/48/1421317648.db2.gz FXKYDMUUFQQJEC-RBUKOAKNSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001717375890 1421317651 /nfs/dbraw/zinc/31/76/51/1421317651.db2.gz FXKYDMUUFQQJEC-RBUKOAKNSA-N 1 3 337.552 3.364 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001733292701 1429472595 /nfs/dbraw/zinc/47/25/95/1429472595.db2.gz LSZXWDOFTNCEPE-BQYQJAHWSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CCC2=CCCCC2)C1 ZINC001717457100 1421386401 /nfs/dbraw/zinc/38/64/01/1421386401.db2.gz WJFCUGONILDXPC-SFHVURJKSA-N 1 3 349.563 3.293 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCC1=CCCCC1 ZINC001717511895 1421448657 /nfs/dbraw/zinc/44/86/57/1421448657.db2.gz NQZQSLAHQVUXFI-PMACEKPBSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001717985325 1421757936 /nfs/dbraw/zinc/75/79/36/1421757936.db2.gz FYNITZWCEYBBQB-CZXSNVBGSA-N 1 3 337.552 3.146 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001723156697 1424311217 /nfs/dbraw/zinc/31/12/17/1424311217.db2.gz LQCCGIXCSCANOK-LJQANCHMSA-N 1 3 345.531 3.226 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001723864545 1424592210 /nfs/dbraw/zinc/59/22/10/1424592210.db2.gz WOKFUHFFOWDEJV-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001724108379 1424668426 /nfs/dbraw/zinc/66/84/26/1424668426.db2.gz CMWBTWGXNBVCDO-QGZVFWFLSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045517 1425475166 /nfs/dbraw/zinc/47/51/66/1425475166.db2.gz ZFOKRJIBHVVDOM-ZWKOTPCHSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045517 1425475168 /nfs/dbraw/zinc/47/51/68/1425475168.db2.gz ZFOKRJIBHVVDOM-ZWKOTPCHSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001725135832 1425609729 /nfs/dbraw/zinc/60/97/29/1425609729.db2.gz BKWJSEIHRPAUKH-ACBHZAAOSA-N 1 3 337.552 3.410 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468636 1426138077 /nfs/dbraw/zinc/13/80/77/1426138077.db2.gz LHNHUWJVFPCQSI-VQIMIIECSA-N 1 3 349.494 3.075 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001725743491 1426420149 /nfs/dbraw/zinc/42/01/49/1426420149.db2.gz ZDMSTVUASCJWTK-OALUTQOASA-N 1 3 345.531 3.182 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725798805 1426483077 /nfs/dbraw/zinc/48/30/77/1426483077.db2.gz ZEGNPYWZXNFFQC-IAGOWNOFSA-N 1 3 347.547 3.020 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+]2CC=C(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001725827953 1426505352 /nfs/dbraw/zinc/50/53/52/1426505352.db2.gz AYXJKOUUAJZYLE-SFHVURJKSA-N 1 3 343.515 3.145 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+]2CC=C(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001725827953 1426505357 /nfs/dbraw/zinc/50/53/57/1426505357.db2.gz AYXJKOUUAJZYLE-SFHVURJKSA-N 1 3 343.515 3.145 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001731434790 1427415781 /nfs/dbraw/zinc/41/57/81/1427415781.db2.gz BHDUVIILAAMHTI-RJCMGOLDSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001731591463 1427633171 /nfs/dbraw/zinc/63/31/71/1427633171.db2.gz FYWBIBXPTIEYDM-YLJYHZDGSA-N 1 3 345.531 3.277 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)N2CCCCCC2)c(C)c1 ZINC001731621433 1427672324 /nfs/dbraw/zinc/67/23/24/1427672324.db2.gz DAYJGIFOBJGEDX-RBUKOAKNSA-N 1 3 345.531 3.162 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710164 1427765693 /nfs/dbraw/zinc/76/56/93/1427765693.db2.gz DRVVOBYGQVNNIC-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710164 1427765696 /nfs/dbraw/zinc/76/56/96/1427765696.db2.gz DRVVOBYGQVNNIC-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001731720219 1427788735 /nfs/dbraw/zinc/78/87/35/1427788735.db2.gz MMYDHDWDFDQBJK-LJQANCHMSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001731720219 1427788742 /nfs/dbraw/zinc/78/87/42/1427788742.db2.gz MMYDHDWDFDQBJK-LJQANCHMSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001731796206 1427949560 /nfs/dbraw/zinc/94/95/60/1427949560.db2.gz WEWONDZNDFDWLU-UHFFFAOYSA-N 1 3 345.531 3.234 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001731840978 1428063315 /nfs/dbraw/zinc/06/33/15/1428063315.db2.gz IANGUQRCKNGPNM-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001731840978 1428063316 /nfs/dbraw/zinc/06/33/16/1428063316.db2.gz IANGUQRCKNGPNM-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCC2(CC2)CC1 ZINC001731873715 1428134513 /nfs/dbraw/zinc/13/45/13/1428134513.db2.gz OAQVKIGTLCFMTH-UHFFFAOYSA-N 1 3 346.519 3.059 10 0 EGAEHO CCC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCC2(CC2)CC1 ZINC001731873715 1428134516 /nfs/dbraw/zinc/13/45/16/1428134516.db2.gz OAQVKIGTLCFMTH-UHFFFAOYSA-N 1 3 346.519 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001733692087 1429909393 /nfs/dbraw/zinc/90/93/93/1429909393.db2.gz XBWUZZUZJXEQRB-WGSAOQKQSA-N 1 3 335.536 3.092 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001733761036 1429975378 /nfs/dbraw/zinc/97/53/78/1429975378.db2.gz NVIWOQJNFYNXHY-SFHVURJKSA-N 1 3 347.547 3.022 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001733761036 1429975380 /nfs/dbraw/zinc/97/53/80/1429975380.db2.gz NVIWOQJNFYNXHY-SFHVURJKSA-N 1 3 347.547 3.022 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001733769323 1429997073 /nfs/dbraw/zinc/99/70/73/1429997073.db2.gz QDVAIFRGYLZGCS-ICSRJNTNSA-N 1 3 345.531 3.239 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001733769323 1429997077 /nfs/dbraw/zinc/99/70/77/1429997077.db2.gz QDVAIFRGYLZGCS-ICSRJNTNSA-N 1 3 345.531 3.239 10 0 EGAEHO CCC1([NH2+]Cc2ccccc2F)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733809128 1430083971 /nfs/dbraw/zinc/08/39/71/1430083971.db2.gz GHDCTJGCDUSEJR-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001733906926 1437724565 /nfs/dbraw/zinc/72/45/65/1437724565.db2.gz ALBYKEYPWLNVRJ-QWXNRMGCSA-N 1 3 343.515 3.059 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001734038325 1437826184 /nfs/dbraw/zinc/82/61/84/1437826184.db2.gz AQHQYTLPLPEHLL-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001734038325 1437826185 /nfs/dbraw/zinc/82/61/85/1437826185.db2.gz AQHQYTLPLPEHLL-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001734053167 1437843348 /nfs/dbraw/zinc/84/33/48/1437843348.db2.gz JQJABECIDDGNRL-APWZRJJASA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001734053167 1437843349 /nfs/dbraw/zinc/84/33/49/1437843349.db2.gz JQJABECIDDGNRL-APWZRJJASA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734064470 1437859592 /nfs/dbraw/zinc/85/95/92/1437859592.db2.gz BZVFSSUNDARVHK-GJZGRUSLSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734064470 1437859594 /nfs/dbraw/zinc/85/95/94/1437859594.db2.gz BZVFSSUNDARVHK-GJZGRUSLSA-N 1 3 339.911 3.178 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001734398377 1438082049 /nfs/dbraw/zinc/08/20/49/1438082049.db2.gz GTYKNCMJZMTEIM-MJGOQNOKSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487903 1438129513 /nfs/dbraw/zinc/12/95/13/1438129513.db2.gz OQLALJKZZMSKQX-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CSc1ccc(CN2CCC[C@@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000020452548 212131103 /nfs/dbraw/zinc/13/11/03/212131103.db2.gz XJQOETQNECQBSF-GOSISDBHSA-N 1 3 335.561 3.256 10 0 EGAEHO CSc1ccc(CN2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)cc1 ZINC000020452548 212131104 /nfs/dbraw/zinc/13/11/04/212131104.db2.gz XJQOETQNECQBSF-GOSISDBHSA-N 1 3 335.561 3.256 10 0 EGAEHO CSc1ccc(CN2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)cc1 ZINC000020452548 212131106 /nfs/dbraw/zinc/13/11/06/212131106.db2.gz XJQOETQNECQBSF-GOSISDBHSA-N 1 3 335.561 3.256 10 0 EGAEHO Cn1cncc1[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000328622031 258035203 /nfs/dbraw/zinc/03/52/03/258035203.db2.gz AWZJZJKLRFYXFH-YLJYHZDGSA-N 1 3 346.519 3.027 10 0 EGAEHO Cn1cncc1[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622031 258035205 /nfs/dbraw/zinc/03/52/05/258035205.db2.gz AWZJZJKLRFYXFH-YLJYHZDGSA-N 1 3 346.519 3.027 10 0 EGAEHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000120479740 152279237 /nfs/dbraw/zinc/27/92/37/152279237.db2.gz XGNVMBZDUJNKRN-HNNXBMFYSA-N 1 3 332.536 3.355 10 0 EGAEHO Cc1nn(C)c(C)c1C[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000120479740 152279239 /nfs/dbraw/zinc/27/92/39/152279239.db2.gz XGNVMBZDUJNKRN-HNNXBMFYSA-N 1 3 332.536 3.355 10 0 EGAEHO C[N@H+]1C[C@H]2CN(CCCCOc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC000193652427 153298880 /nfs/dbraw/zinc/29/88/80/153298880.db2.gz ZJPJSLUKAPVZII-GASCZTMLSA-N 1 3 342.405 3.358 10 0 EGAEHO C[N@@H+]1C[C@H]2CN(CCCCOc3cccc(C(F)(F)F)c3)C[C@H]2C1 ZINC000193652427 153298883 /nfs/dbraw/zinc/29/88/83/153298883.db2.gz ZJPJSLUKAPVZII-GASCZTMLSA-N 1 3 342.405 3.358 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310071711 154139160 /nfs/dbraw/zinc/13/91/60/154139160.db2.gz ACKOZLLJAXITGS-UKAVVXHISA-N 1 3 329.532 3.217 10 0 EGAEHO CCCn1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000310280866 154143087 /nfs/dbraw/zinc/14/30/87/154143087.db2.gz WKKFEZBHTQYPMM-FXAWDEMLSA-N 1 3 326.488 3.293 10 0 EGAEHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000125186804 162266269 /nfs/dbraw/zinc/26/62/69/162266269.db2.gz WKXRJCVROODCEZ-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000248415562 163003087 /nfs/dbraw/zinc/00/30/87/163003087.db2.gz OEZASGMLTOSAMM-VRXWPRPYSA-N 1 3 328.500 3.302 10 0 EGAEHO CC[NH+](CC)CCOCCNCc1ccc(Br)c(F)c1 ZINC000350262728 165024089 /nfs/dbraw/zinc/02/40/89/165024089.db2.gz HXULNFPKAKWCJZ-UHFFFAOYSA-N 1 3 347.272 3.036 10 0 EGAEHO COc1cccc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098442 278009399 /nfs/dbraw/zinc/00/93/99/278009399.db2.gz SLVQCIKCALWVJH-PKOBYXMFSA-N 1 3 339.483 3.133 10 0 EGAEHO COc1cccc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348098442 278009400 /nfs/dbraw/zinc/00/94/00/278009400.db2.gz SLVQCIKCALWVJH-PKOBYXMFSA-N 1 3 339.483 3.133 10 0 EGAEHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CS1 ZINC000364862675 280031770 /nfs/dbraw/zinc/03/17/70/280031770.db2.gz RIKKQWZITKIRMJ-ROUUACIJSA-N 1 3 339.593 3.056 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000248549741 308005476 /nfs/dbraw/zinc/00/54/76/308005476.db2.gz GAVSYVMRISSZNU-XMSQKQJNSA-N 1 3 338.495 3.222 10 0 EGAEHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1C(F)(F)F ZINC000414451353 309080996 /nfs/dbraw/zinc/08/09/96/309080996.db2.gz NIROJEVFKVDYLC-UHFFFAOYSA-N 1 3 343.437 3.129 10 0 EGAEHO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000294671826 308244374 /nfs/dbraw/zinc/24/43/74/308244374.db2.gz AMWXVZCOWRKISQ-IBGZPJMESA-N 1 3 330.497 3.303 10 0 EGAEHO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cs1 ZINC000294671826 308244375 /nfs/dbraw/zinc/24/43/75/308244375.db2.gz AMWXVZCOWRKISQ-IBGZPJMESA-N 1 3 330.497 3.303 10 0 EGAEHO OC1(C[NH2+][C@H]2CCc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000397501325 308904542 /nfs/dbraw/zinc/90/45/42/308904542.db2.gz AFRABMWLRPLJJQ-NRFANRHFSA-N 1 3 336.479 3.291 10 0 EGAEHO Cc1ccc(-c2n[nH]cc2CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414881520 309106937 /nfs/dbraw/zinc/10/69/37/309106937.db2.gz RMGCMIZXNUJEQQ-UHFFFAOYSA-N 1 3 335.455 3.050 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415062030 309117747 /nfs/dbraw/zinc/11/77/47/309117747.db2.gz XQFRTBPZZMSUHA-DVOMOZLQSA-N 1 3 325.294 3.297 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000415896218 309146505 /nfs/dbraw/zinc/14/65/05/309146505.db2.gz CZQQMIJURKIUOP-IAGOWNOFSA-N 1 3 346.519 3.286 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000415944085 309150503 /nfs/dbraw/zinc/15/05/03/309150503.db2.gz NVSYOURAOQBYFS-IBGZPJMESA-N 1 3 340.471 3.221 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417528163 309209468 /nfs/dbraw/zinc/20/94/68/309209468.db2.gz FBBSHAWOKJBNFQ-ZHALLVOQSA-N 1 3 346.519 3.029 10 0 EGAEHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836702 309371119 /nfs/dbraw/zinc/37/11/19/309371119.db2.gz RSYZAJLANUIASG-QHAWAJNXSA-N 1 3 338.499 3.332 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCOCC1 ZINC000422897394 309374873 /nfs/dbraw/zinc/37/48/73/309374873.db2.gz JKTJLXODVYMXQH-IEBWSBKVSA-N 1 3 346.515 3.159 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(Br)c1 ZINC000422932418 309376850 /nfs/dbraw/zinc/37/68/50/309376850.db2.gz FROVZZXIKGTUMK-NSHDSACASA-N 1 3 334.261 3.462 10 0 EGAEHO CC(C)n1ncc2c1C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000423084079 309385198 /nfs/dbraw/zinc/38/51/98/309385198.db2.gz ZSGWBGLQOGZHIK-FCGDIQPGSA-N 1 3 330.520 3.222 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC2 ZINC000423084079 309385199 /nfs/dbraw/zinc/38/51/99/309385199.db2.gz ZSGWBGLQOGZHIK-FCGDIQPGSA-N 1 3 330.520 3.222 10 0 EGAEHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000423179856 309389374 /nfs/dbraw/zinc/38/93/74/309389374.db2.gz AKCANUHNSIJQOG-KRWDZBQOSA-N 1 3 335.455 3.098 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CC[C@H]3SC)CC2)cc1 ZINC000425352253 309475213 /nfs/dbraw/zinc/47/52/13/309475213.db2.gz MQJRPXFWSFBFGJ-RTBURBONSA-N 1 3 334.529 3.391 10 0 EGAEHO CCOC1CC(O)(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449284055 310050093 /nfs/dbraw/zinc/05/00/93/310050093.db2.gz NURQMHAYXTXJEV-UHFFFAOYSA-N 1 3 340.552 3.185 10 0 EGAEHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000449311660 310052323 /nfs/dbraw/zinc/05/23/23/310052323.db2.gz NGQDRUOXFSCIRG-INIZCTEOSA-N 1 3 328.456 3.473 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000449398825 310058832 /nfs/dbraw/zinc/05/88/32/310058832.db2.gz ZAORZOBQLKOOOH-OAQYLSRUSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000449398825 310058833 /nfs/dbraw/zinc/05/88/33/310058833.db2.gz ZAORZOBQLKOOOH-OAQYLSRUSA-N 1 3 345.531 3.077 10 0 EGAEHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490181 310066382 /nfs/dbraw/zinc/06/63/82/310066382.db2.gz WJXIEQUYDNZJDV-SJLPKXTDSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(CF)CCOCC3)CC2)C1 ZINC000449490181 310066383 /nfs/dbraw/zinc/06/63/83/310066383.db2.gz WJXIEQUYDNZJDV-SJLPKXTDSA-N 1 3 326.500 3.385 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(Br)s2)[C@H]2CCC[C@@H]21 ZINC000513654391 312214908 /nfs/dbraw/zinc/21/49/08/312214908.db2.gz IFXMMDVJUMVLTH-AGIUHOORSA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(Br)s2)[C@H]2CCC[C@@H]21 ZINC000513654391 312214910 /nfs/dbraw/zinc/21/49/10/312214910.db2.gz IFXMMDVJUMVLTH-AGIUHOORSA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@H]2CCC[C@@H]21 ZINC000513654391 312214911 /nfs/dbraw/zinc/21/49/11/312214911.db2.gz IFXMMDVJUMVLTH-AGIUHOORSA-N 1 3 329.307 3.473 10 0 EGAEHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000513761400 312217354 /nfs/dbraw/zinc/21/73/54/312217354.db2.gz MWKMPDQNMPMAKJ-KJJMTIBFSA-N 1 3 343.559 3.402 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000516464916 312324582 /nfs/dbraw/zinc/32/45/82/312324582.db2.gz GXLNNNKEJSGOPJ-WOJBJXKFSA-N 1 3 339.483 3.220 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000516464916 312324583 /nfs/dbraw/zinc/32/45/83/312324583.db2.gz GXLNNNKEJSGOPJ-WOJBJXKFSA-N 1 3 339.483 3.220 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029359 312359467 /nfs/dbraw/zinc/35/94/67/312359467.db2.gz JSIWNBBPKVSCGV-VQTJNVASSA-N 1 3 327.516 3.115 10 0 EGAEHO CC1(C)CC(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000528509158 313107726 /nfs/dbraw/zinc/10/77/26/313107726.db2.gz RRAXPHUVVTXSGJ-NRFANRHFSA-N 1 3 341.543 3.315 10 0 EGAEHO CC1(C)CC(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000528509158 313107729 /nfs/dbraw/zinc/10/77/29/313107729.db2.gz RRAXPHUVVTXSGJ-NRFANRHFSA-N 1 3 341.543 3.315 10 0 EGAEHO C[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208610 313496867 /nfs/dbraw/zinc/49/68/67/313496867.db2.gz FXXQBWRVDNIIPI-XLSPSMHOSA-N 1 3 330.472 3.117 10 0 EGAEHO CCCCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248755 313505604 /nfs/dbraw/zinc/50/56/04/313505604.db2.gz OUCQROHGTHVZAW-NRFANRHFSA-N 1 3 346.515 3.456 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000552046860 315193367 /nfs/dbraw/zinc/19/33/67/315193367.db2.gz UYGIOLUVNKXNBG-LRSLUSHPSA-N 1 3 341.543 3.013 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000579361887 325100107 /nfs/dbraw/zinc/10/01/07/325100107.db2.gz JAQYXSJPMMKVKY-AEGPPILISA-N 1 3 343.302 3.263 10 0 EGAEHO C[N@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000579361887 325100112 /nfs/dbraw/zinc/10/01/12/325100112.db2.gz JAQYXSJPMMKVKY-AEGPPILISA-N 1 3 343.302 3.263 10 0 EGAEHO CN1CC[C@@]2(CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429000122 458251851 /nfs/dbraw/zinc/25/18/51/458251851.db2.gz FSCKQVANJCAFMD-MRXNPFEDSA-N 1 3 329.271 3.400 10 0 EGAEHO CN1CC[C@@]2(CC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429000122 458251855 /nfs/dbraw/zinc/25/18/55/458251855.db2.gz FSCKQVANJCAFMD-MRXNPFEDSA-N 1 3 329.271 3.400 10 0 EGAEHO Fc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)cc1Br ZINC000629531645 460797724 /nfs/dbraw/zinc/79/77/24/460797724.db2.gz SPYBTMNLGWIQLS-JBLDHEPKSA-N 1 3 345.231 3.205 10 0 EGAEHO CC[NH+](CC)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968049 460597481 /nfs/dbraw/zinc/59/74/81/460597481.db2.gz CLCLKXKXBMKEDC-HNNXBMFYSA-N 1 3 346.302 3.054 10 0 EGAEHO CCn1c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)nc2ccccc21 ZINC000067452621 453932211 /nfs/dbraw/zinc/93/22/11/453932211.db2.gz BVZAPLZFVRDXBW-IAGOWNOFSA-N 1 3 344.503 3.035 10 0 EGAEHO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000097057097 454398039 /nfs/dbraw/zinc/39/80/39/454398039.db2.gz BYGIPVHXBIQZRN-HLAWJBBLSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000097057097 454398043 /nfs/dbraw/zinc/39/80/43/454398043.db2.gz BYGIPVHXBIQZRN-HLAWJBBLSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000097057097 454398045 /nfs/dbraw/zinc/39/80/45/454398045.db2.gz BYGIPVHXBIQZRN-HLAWJBBLSA-N 1 3 339.483 3.334 10 0 EGAEHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)CN1CCCC1)CC3 ZINC000123111955 454603284 /nfs/dbraw/zinc/60/32/84/454603284.db2.gz FBERTKIUFGLSGX-JKSUJKDBSA-N 1 3 341.499 3.355 10 0 EGAEHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124673083 454759172 /nfs/dbraw/zinc/75/91/72/454759172.db2.gz VXKLQJUBXHOUQO-GHTZIAJQSA-N 1 3 341.543 3.460 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154277498 454880721 /nfs/dbraw/zinc/88/07/21/454880721.db2.gz JFKZVQSQYFPKDW-FQEVSTJZSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(=O)Nc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246078146 455422420 /nfs/dbraw/zinc/42/24/20/455422420.db2.gz HSDMHQLZJPRTSS-FXAWDEMLSA-N 1 3 327.472 3.094 10 0 EGAEHO CC(=O)Nc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246078146 455422423 /nfs/dbraw/zinc/42/24/23/455422423.db2.gz HSDMHQLZJPRTSS-FXAWDEMLSA-N 1 3 327.472 3.094 10 0 EGAEHO C[C@@H](CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076040 455436893 /nfs/dbraw/zinc/43/68/93/455436893.db2.gz OCINOGOCXYKREV-FPOVZHCZSA-N 1 3 329.532 3.282 10 0 EGAEHO C[C@@H](CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000191076040 455436896 /nfs/dbraw/zinc/43/68/96/455436896.db2.gz OCINOGOCXYKREV-FPOVZHCZSA-N 1 3 329.532 3.282 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000246159477 455438601 /nfs/dbraw/zinc/43/86/01/455438601.db2.gz WZWYXGRDJBJCJA-COXVUDFISA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000246159477 455438606 /nfs/dbraw/zinc/43/86/06/455438606.db2.gz WZWYXGRDJBJCJA-COXVUDFISA-N 1 3 344.421 3.023 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000185341941 455543834 /nfs/dbraw/zinc/54/38/34/455543834.db2.gz BRPAZQBCBSOOQL-KRWDZBQOSA-N 1 3 325.456 3.010 10 0 EGAEHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(OC)c1 ZINC000192624451 455656150 /nfs/dbraw/zinc/65/61/50/455656150.db2.gz DUSWDBKMTMMLBA-QYYYHEGRSA-N 1 3 345.531 3.293 10 0 EGAEHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC000192624451 455656155 /nfs/dbraw/zinc/65/61/55/455656155.db2.gz DUSWDBKMTMMLBA-QYYYHEGRSA-N 1 3 345.531 3.293 10 0 EGAEHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000250125540 455785379 /nfs/dbraw/zinc/78/53/79/455785379.db2.gz WBZRGKPOKBLMTM-QHAWAJNXSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000250125540 455785383 /nfs/dbraw/zinc/78/53/83/455785383.db2.gz WBZRGKPOKBLMTM-QHAWAJNXSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)cc2F)CC1 ZINC000189010240 456199542 /nfs/dbraw/zinc/19/95/42/456199542.db2.gz FLFBSJIOOQIIQS-ZDUSSCGKSA-N 1 3 328.859 3.004 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071396 456472846 /nfs/dbraw/zinc/47/28/46/456472846.db2.gz FDOCNLSOLXXIMN-PKOBYXMFSA-N 1 3 345.531 3.497 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000353071396 456472849 /nfs/dbraw/zinc/47/28/49/456472849.db2.gz FDOCNLSOLXXIMN-PKOBYXMFSA-N 1 3 345.531 3.497 10 0 EGAEHO COC1(C[C@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000277174898 456709476 /nfs/dbraw/zinc/70/94/76/456709476.db2.gz SJEVJJUIVDGWJN-KRWDZBQOSA-N 1 3 346.515 3.081 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283382829 456770193 /nfs/dbraw/zinc/77/01/93/456770193.db2.gz OWUFAKMKMUVGOC-JBACZVJFSA-N 1 3 329.532 3.186 10 0 EGAEHO CCN(CCn1ccnc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000346278001 457028439 /nfs/dbraw/zinc/02/84/39/457028439.db2.gz NSZLWXJKWURKNA-PXNSSMCTSA-N 1 3 326.488 3.349 10 0 EGAEHO CCN(CCn1ccnc1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000346278001 457028443 /nfs/dbraw/zinc/02/84/43/457028443.db2.gz NSZLWXJKWURKNA-PXNSSMCTSA-N 1 3 326.488 3.349 10 0 EGAEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000354396107 457197706 /nfs/dbraw/zinc/19/77/06/457197706.db2.gz LVFZNJKAUOGQTF-FQEVSTJZSA-N 1 3 343.515 3.277 10 0 EGAEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000354396107 457197708 /nfs/dbraw/zinc/19/77/08/457197708.db2.gz LVFZNJKAUOGQTF-FQEVSTJZSA-N 1 3 343.515 3.277 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000350692485 457197831 /nfs/dbraw/zinc/19/78/31/457197831.db2.gz MBJBHNHSDCXDPR-VQTJNVASSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000350692485 457197835 /nfs/dbraw/zinc/19/78/35/457197835.db2.gz MBJBHNHSDCXDPR-VQTJNVASSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000350692482 457198530 /nfs/dbraw/zinc/19/85/30/457198530.db2.gz MBJBHNHSDCXDPR-PMACEKPBSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000350692482 457198537 /nfs/dbraw/zinc/19/85/37/457198537.db2.gz MBJBHNHSDCXDPR-PMACEKPBSA-N 1 3 343.515 3.204 10 0 EGAEHO NC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390867965 457448228 /nfs/dbraw/zinc/44/82/28/457448228.db2.gz NPQDGOPZYPZXQW-JPGZLTHCSA-N 1 3 327.516 3.289 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397611879 457490541 /nfs/dbraw/zinc/49/05/41/457490541.db2.gz FLKHFQYKEIHZOH-UHFFFAOYSA-N 1 3 338.495 3.420 10 0 EGAEHO OC1(CNc2ccnc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397601701 457490669 /nfs/dbraw/zinc/49/06/69/457490669.db2.gz NYSVFAMYBFCNSH-UHFFFAOYSA-N 1 3 347.462 3.096 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H]3CC[C@H]3SC)CC2)cc1 ZINC000425352251 457513657 /nfs/dbraw/zinc/51/36/57/457513657.db2.gz MQJRPXFWSFBFGJ-RBUKOAKNSA-N 1 3 334.529 3.391 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375890058 458111081 /nfs/dbraw/zinc/11/10/81/458111081.db2.gz RGVCIWZLCUNWEV-ZCNNSNEGSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375890058 458111083 /nfs/dbraw/zinc/11/10/83/458111083.db2.gz RGVCIWZLCUNWEV-ZCNNSNEGSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000375890058 458111086 /nfs/dbraw/zinc/11/10/86/458111086.db2.gz RGVCIWZLCUNWEV-ZCNNSNEGSA-N 1 3 343.515 3.179 10 0 EGAEHO C[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000376028321 458169417 /nfs/dbraw/zinc/16/94/17/458169417.db2.gz JCWQHMXONMNKAF-AFVILVPDSA-N 1 3 327.516 3.256 10 0 EGAEHO CN1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000459439617 458370940 /nfs/dbraw/zinc/37/09/40/458370940.db2.gz KMWCYKCSGDOTCF-RBUKOAKNSA-N 1 3 333.907 3.302 10 0 EGAEHO C[C@@H](COc1ccc2cc(Br)ccc2c1)NCCC[NH3+] ZINC000437765987 458489993 /nfs/dbraw/zinc/48/99/93/458489993.db2.gz UHWUZNJHQHTTCH-LBPRGKRZSA-N 1 3 337.261 3.308 10 0 EGAEHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000377799636 458532492 /nfs/dbraw/zinc/53/24/92/458532492.db2.gz XFRXRLBESGPWPQ-AKHDSKFASA-N 1 3 336.483 3.052 10 0 EGAEHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000377799636 458532494 /nfs/dbraw/zinc/53/24/94/458532494.db2.gz XFRXRLBESGPWPQ-AKHDSKFASA-N 1 3 336.483 3.052 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000462793064 458655698 /nfs/dbraw/zinc/65/56/98/458655698.db2.gz PUNXVCGYQWBSQT-SLFFLAALSA-N 1 3 346.515 3.312 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCO[C@H](CC)C2)CC1 ZINC000467556767 458980175 /nfs/dbraw/zinc/98/01/75/458980175.db2.gz GNHHIIUTJXOPTL-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCCO[C@H](CC)C2)CC1 ZINC000467556767 458980180 /nfs/dbraw/zinc/98/01/80/458980180.db2.gz GNHHIIUTJXOPTL-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502116 459064851 /nfs/dbraw/zinc/06/48/51/459064851.db2.gz FJCHOIYHKHWYOM-HNAYVOBHSA-N 1 3 330.472 3.172 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CCCC1 ZINC000480146122 459185665 /nfs/dbraw/zinc/18/56/65/459185665.db2.gz VWZPZRLPZWRYLC-AZUAARDMSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000480265707 459191230 /nfs/dbraw/zinc/19/12/30/459191230.db2.gz NSEAXRXTXQLOKW-CTNGQTDRSA-N 1 3 329.532 3.363 10 0 EGAEHO Fc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1F ZINC000567990275 459203847 /nfs/dbraw/zinc/20/38/47/459203847.db2.gz PJCSVNQFYFTYOB-OKILXGFUSA-N 1 3 333.382 3.051 10 0 EGAEHO C[C@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000562495984 459572550 /nfs/dbraw/zinc/57/25/50/459572550.db2.gz SYYQIVHUTSINLS-ZIBCJSCZSA-N 1 3 327.516 3.113 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393808 459590459 /nfs/dbraw/zinc/59/04/59/459590459.db2.gz CUGMJMLFRUVUFZ-JUSBFGHESA-N 1 3 348.556 3.396 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393808 459590463 /nfs/dbraw/zinc/59/04/63/459590463.db2.gz CUGMJMLFRUVUFZ-JUSBFGHESA-N 1 3 348.556 3.396 10 0 EGAEHO CCCC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000572942884 459599397 /nfs/dbraw/zinc/59/93/97/459599397.db2.gz UOUWSQJRBMSZRF-XLIONFOSSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000572942884 459599404 /nfs/dbraw/zinc/59/94/04/459599404.db2.gz UOUWSQJRBMSZRF-XLIONFOSSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527656131 459686967 /nfs/dbraw/zinc/68/69/67/459686967.db2.gz XIHSFJONPQKTGX-NQERJWCQSA-N 1 3 328.500 3.168 10 0 EGAEHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1cccc(Cl)c1 ZINC000573676682 459715820 /nfs/dbraw/zinc/71/58/20/459715820.db2.gz JBXPBPOAENWFKM-UHFFFAOYSA-N 1 3 335.879 3.275 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000574571181 459835339 /nfs/dbraw/zinc/83/53/39/459835339.db2.gz IGHVEQKRGRKBRD-HNNXBMFYSA-N 1 3 343.393 3.367 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000574571181 459835341 /nfs/dbraw/zinc/83/53/41/459835341.db2.gz IGHVEQKRGRKBRD-HNNXBMFYSA-N 1 3 343.393 3.367 10 0 EGAEHO Cc1cccc([C@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)c1 ZINC000625983768 460326272 /nfs/dbraw/zinc/32/62/72/460326272.db2.gz AAABANZKPJBQLS-OAQYLSRUSA-N 1 3 343.515 3.025 10 0 EGAEHO C[C@H](N[C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657880 460492583 /nfs/dbraw/zinc/49/25/83/460492583.db2.gz AZKQWFZAHGCKHK-LRDDRELGSA-N 1 3 330.394 3.059 10 0 EGAEHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339174 460496299 /nfs/dbraw/zinc/49/62/99/460496299.db2.gz NIRXNHKQUYCXBI-QUCCMNQESA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339174 460496305 /nfs/dbraw/zinc/49/63/05/460496305.db2.gz NIRXNHKQUYCXBI-QUCCMNQESA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339174 460496314 /nfs/dbraw/zinc/49/63/14/460496314.db2.gz NIRXNHKQUYCXBI-QUCCMNQESA-N 1 3 345.531 3.295 10 0 EGAEHO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000606912577 460760454 /nfs/dbraw/zinc/76/04/54/460760454.db2.gz AZMSQHUUTQNQPO-LAUBAEHRSA-N 1 3 348.531 3.294 10 0 EGAEHO Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623928880 460783550 /nfs/dbraw/zinc/78/35/50/460783550.db2.gz DYKCVUDITIQMNR-QGZVFWFLSA-N 1 3 330.520 3.032 10 0 EGAEHO Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623928880 460783558 /nfs/dbraw/zinc/78/35/58/460783558.db2.gz DYKCVUDITIQMNR-QGZVFWFLSA-N 1 3 330.520 3.032 10 0 EGAEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000629522212 460793880 /nfs/dbraw/zinc/79/38/80/460793880.db2.gz XMARUQHPTYZEIZ-LBPRGKRZSA-N 1 3 348.434 3.500 10 0 EGAEHO C/C=C/COc1ccc(CC[C@@H](C)NCC2([NH3+])CCOCC2)cc1 ZINC000629521418 460794292 /nfs/dbraw/zinc/79/42/92/460794292.db2.gz PFFKKLFGZFUWFU-REMYHPOOSA-N 1 3 332.488 3.060 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000624123986 460871915 /nfs/dbraw/zinc/87/19/15/460871915.db2.gz VFWQBZVRTJGDBI-FPOVZHCZSA-N 1 3 343.559 3.404 10 0 EGAEHO COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1OC1CC1 ZINC000628244261 461062030 /nfs/dbraw/zinc/06/20/30/461062030.db2.gz ZFKGLFXELWAZRJ-UHFFFAOYSA-N 1 3 330.472 3.297 10 0 EGAEHO COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1OC1CC1 ZINC000628244261 461062033 /nfs/dbraw/zinc/06/20/33/461062033.db2.gz ZFKGLFXELWAZRJ-UHFFFAOYSA-N 1 3 330.472 3.297 10 0 EGAEHO Fc1ccc(F)c(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662259259 461146994 /nfs/dbraw/zinc/14/69/94/461146994.db2.gz SXEGFOJIAHMAGI-KRWDZBQOSA-N 1 3 336.426 3.230 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cc(F)cc3cccnc32)C1 ZINC000652363038 461158163 /nfs/dbraw/zinc/15/81/63/461158163.db2.gz VZYLBQCLAWGHLC-GUDVDZBRSA-N 1 3 343.446 3.235 10 0 EGAEHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000662279531 461163476 /nfs/dbraw/zinc/16/34/76/461163476.db2.gz AAHZMUCANQRAHX-QZTJIDSGSA-N 1 3 338.492 3.136 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000630725732 461270128 /nfs/dbraw/zinc/27/01/28/461270128.db2.gz SNUGCGMEBVYAIY-RBUKOAKNSA-N 1 3 329.488 3.341 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000630725732 461270138 /nfs/dbraw/zinc/27/01/38/461270138.db2.gz SNUGCGMEBVYAIY-RBUKOAKNSA-N 1 3 329.488 3.341 10 0 EGAEHO CCC[NH+](CCC)CCCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662689183 461348131 /nfs/dbraw/zinc/34/81/31/461348131.db2.gz UOVSAMXPZBDBGK-IBGZPJMESA-N 1 3 347.503 3.188 10 0 EGAEHO CC(C)[C@H](O)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668686920 461381700 /nfs/dbraw/zinc/38/17/00/461381700.db2.gz AMKQYQXXGRXPNC-SFTDATJTSA-N 1 3 339.483 3.398 10 0 EGAEHO C[NH+]1CCC(N2CC[C@H](NCc3oc4ccccc4c3Cl)C2)CC1 ZINC000631070445 461521183 /nfs/dbraw/zinc/52/11/83/461521183.db2.gz YSFKDKJAOBPMAG-AWEZNQCLSA-N 1 3 347.890 3.344 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCCc3c(F)cccc3F)C2)C1 ZINC000655939483 461547558 /nfs/dbraw/zinc/54/75/58/461547558.db2.gz IASSVMUTRNRJIP-SPYBWZPUSA-N 1 3 338.442 3.116 10 0 EGAEHO Cc1scc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1C ZINC000631173346 461611784 /nfs/dbraw/zinc/61/17/84/461611784.db2.gz QAKAUBCTHPYNGU-IBGZPJMESA-N 1 3 330.497 3.221 10 0 EGAEHO Cc1scc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1C ZINC000631173346 461611797 /nfs/dbraw/zinc/61/17/97/461611797.db2.gz QAKAUBCTHPYNGU-IBGZPJMESA-N 1 3 330.497 3.221 10 0 EGAEHO c1ccc(COC2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663466982 461656846 /nfs/dbraw/zinc/65/68/46/461656846.db2.gz YKKPXPYCXZBFDE-QNGMFEMESA-N 1 3 328.500 3.446 10 0 EGAEHO c1ccc(COC2CC(NC[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663466982 461656853 /nfs/dbraw/zinc/65/68/53/461656853.db2.gz YKKPXPYCXZBFDE-QNGMFEMESA-N 1 3 328.500 3.446 10 0 EGAEHO c1ccc(COC2CC(NC[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663466982 461656861 /nfs/dbraw/zinc/65/68/61/461656861.db2.gz YKKPXPYCXZBFDE-QNGMFEMESA-N 1 3 328.500 3.446 10 0 EGAEHO CC(C)[C@H]([NH3+])CCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000663504183 461675822 /nfs/dbraw/zinc/67/58/22/461675822.db2.gz XONBRQIDNXFIKQ-GOSISDBHSA-N 1 3 341.902 3.407 10 0 EGAEHO CC(C)[C@H](N)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000663504183 461675830 /nfs/dbraw/zinc/67/58/30/461675830.db2.gz XONBRQIDNXFIKQ-GOSISDBHSA-N 1 3 341.902 3.407 10 0 EGAEHO Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)n1 ZINC000643466201 461737114 /nfs/dbraw/zinc/73/71/14/461737114.db2.gz CWLGKAOEOJAGDI-KWXGJIJISA-N 1 3 332.492 3.305 10 0 EGAEHO COc1cccc(-c2n[nH]cc2CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000666755333 461791065 /nfs/dbraw/zinc/79/10/65/461791065.db2.gz PZSAYCHBDRPUAU-CQSZACIVSA-N 1 3 336.439 3.395 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(=O)Nc1ccccc1C ZINC000650719645 461911805 /nfs/dbraw/zinc/91/18/05/461911805.db2.gz XIHMFDWEIISFRS-INIZCTEOSA-N 1 3 325.456 3.221 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc(C3CCC3)s2)C1 ZINC000650724079 461916136 /nfs/dbraw/zinc/91/61/36/461916136.db2.gz YBUYNMXRXPUXHK-OIISXLGYSA-N 1 3 335.517 3.271 10 0 EGAEHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccnn2-c2ccncc2)C1 ZINC000657357378 462068091 /nfs/dbraw/zinc/06/80/91/462068091.db2.gz NAPRXCUSTVXRHE-QGZVFWFLSA-N 1 3 341.503 3.258 10 0 EGAEHO Cc1ccc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)[nH]c2c1 ZINC000657399855 462098277 /nfs/dbraw/zinc/09/82/77/462098277.db2.gz JKNXFRDFHOKBIL-RTWAWAEBSA-N 1 3 341.499 3.334 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]CCc2noc3ccccc23)cc1 ZINC000657532912 462168997 /nfs/dbraw/zinc/16/89/97/462168997.db2.gz AXOAQLLOPQODTL-UHFFFAOYSA-N 1 3 339.439 3.101 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)c(Cl)c3)cc2)C1 ZINC000657595389 462196155 /nfs/dbraw/zinc/19/61/55/462196155.db2.gz HUZOUNYLTMGYOZ-KRWDZBQOSA-N 1 3 348.849 3.336 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(F)c(Cl)c3)cc2)C1 ZINC000657595389 462196161 /nfs/dbraw/zinc/19/61/61/462196161.db2.gz HUZOUNYLTMGYOZ-KRWDZBQOSA-N 1 3 348.849 3.336 10 0 EGAEHO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000658036981 462353699 /nfs/dbraw/zinc/35/36/99/462353699.db2.gz SSAQXLRMMMCXNT-AABGKKOBSA-N 1 3 342.527 3.428 10 0 EGAEHO C[C@H](C[C@H](C)N)[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265067 462375506 /nfs/dbraw/zinc/37/55/06/462375506.db2.gz ONEQBQLKCTWSNU-QWHCGFSZSA-N 1 3 325.294 3.487 10 0 EGAEHO C[C@H](C[C@H](C)[NH3+])NCC1(Cc2ccc(Br)cc2)CC1 ZINC000665265067 462375511 /nfs/dbraw/zinc/37/55/11/462375511.db2.gz ONEQBQLKCTWSNU-QWHCGFSZSA-N 1 3 325.294 3.487 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)COc1c(F)cccc1F ZINC000665261787 462376094 /nfs/dbraw/zinc/37/60/94/462376094.db2.gz LHTLMCJTEGOMNL-VXGBXAGGSA-N 1 3 335.398 3.245 10 0 EGAEHO C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138771 462402137 /nfs/dbraw/zinc/40/21/37/462402137.db2.gz NXCVXEZJQRCAJR-UZLBHIALSA-N 1 3 344.524 3.426 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138791 462402540 /nfs/dbraw/zinc/40/25/40/462402540.db2.gz OFASBYYHRNACEZ-SFTDATJTSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138791 462402544 /nfs/dbraw/zinc/40/25/44/462402544.db2.gz OFASBYYHRNACEZ-SFTDATJTSA-N 1 3 339.483 3.135 10 0 EGAEHO CN(CCN1CCC(C[NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000185186110 547115929 /nfs/dbraw/zinc/11/59/29/547115929.db2.gz ZBFTWPJBPZZVGE-UHFFFAOYSA-N 1 3 333.495 3.065 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339068276 547569225 /nfs/dbraw/zinc/56/92/25/547569225.db2.gz NZPPWCQKUNNNSY-PWRODBHTSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339068276 547569228 /nfs/dbraw/zinc/56/92/28/547569228.db2.gz NZPPWCQKUNNNSY-PWRODBHTSA-N 1 3 327.516 3.258 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc3cnccc32)C1 ZINC000679988623 549801694 /nfs/dbraw/zinc/80/16/94/549801694.db2.gz CBTAOMYAOWLCQI-LJQANCHMSA-N 1 3 327.472 3.168 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@H](CN[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409243 550326342 /nfs/dbraw/zinc/32/63/42/550326342.db2.gz LRXYGJMZJLOPQL-SFTDATJTSA-N 1 3 335.495 3.377 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409243 550326344 /nfs/dbraw/zinc/32/63/44/550326344.db2.gz LRXYGJMZJLOPQL-SFTDATJTSA-N 1 3 335.495 3.377 10 0 EGAEHO CCN(CC)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910362 1298231597 /nfs/dbraw/zinc/23/15/97/1298231597.db2.gz OCQFHXBUVISNAG-ULQDDVLXSA-N 1 3 339.524 3.096 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@@H](C)C1 ZINC000894049020 1306190818 /nfs/dbraw/zinc/19/08/18/1306190818.db2.gz CCGPOPCXJNGAKT-KBXCAEBGSA-N 1 3 343.471 3.117 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@@H](C)C1 ZINC000894049020 1306190819 /nfs/dbraw/zinc/19/08/19/1306190819.db2.gz CCGPOPCXJNGAKT-KBXCAEBGSA-N 1 3 343.471 3.117 10 0 EGAEHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000929637624 1328653849 /nfs/dbraw/zinc/65/38/49/1328653849.db2.gz LQYJOOSUKRPYIK-JLJPHGGASA-N 1 3 342.405 3.052 10 0 EGAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000929637624 1328653855 /nfs/dbraw/zinc/65/38/55/1328653855.db2.gz LQYJOOSUKRPYIK-JLJPHGGASA-N 1 3 342.405 3.052 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CC[C@@H](CO)C1)c1ccccc1 ZINC000929697092 1328670212 /nfs/dbraw/zinc/67/02/12/1328670212.db2.gz QNTNVTSCOHNWJS-IFMALSPDSA-N 1 3 338.495 3.216 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@@H](CO)C1)c1ccccc1 ZINC000929697092 1328670214 /nfs/dbraw/zinc/67/02/14/1328670214.db2.gz QNTNVTSCOHNWJS-IFMALSPDSA-N 1 3 338.495 3.216 10 0 EGAEHO COC(=O)C1=CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000858471062 1328770387 /nfs/dbraw/zinc/77/03/87/1328770387.db2.gz AVGKEZNSFRUBKD-HAGHYFMRSA-N 1 3 340.467 3.033 10 0 EGAEHO COC(=O)C1=CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000858471062 1328770391 /nfs/dbraw/zinc/77/03/91/1328770391.db2.gz AVGKEZNSFRUBKD-HAGHYFMRSA-N 1 3 340.467 3.033 10 0 EGAEHO CCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1c(C)cccc1C ZINC000923313666 1322731379 /nfs/dbraw/zinc/73/13/79/1322731379.db2.gz JHXZEKWCRKVMSW-YQQQUEKLSA-N 1 3 343.515 3.485 10 0 EGAEHO [NH3+]CCCCCCCN1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000923548361 1322773676 /nfs/dbraw/zinc/77/36/76/1322773676.db2.gz AJPIFHOKLIVAKJ-QZTJIDSGSA-N 1 3 331.504 3.196 10 0 EGAEHO [NH3+]CCCCCCCN1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000923548360 1322773867 /nfs/dbraw/zinc/77/38/67/1322773867.db2.gz AJPIFHOKLIVAKJ-MSOLQXFVSA-N 1 3 331.504 3.196 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924704704 1323123228 /nfs/dbraw/zinc/12/32/28/1323123228.db2.gz HKSDQXGVDMQXSN-DOMZBBRYSA-N 1 3 338.293 3.153 10 0 EGAEHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000924938362 1323221241 /nfs/dbraw/zinc/22/12/41/1323221241.db2.gz KYBNENUFXDWPSD-HBMCJLEFSA-N 1 3 332.532 3.470 10 0 EGAEHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000924938363 1323221837 /nfs/dbraw/zinc/22/18/37/1323221837.db2.gz KYBNENUFXDWPSD-NJDAHSKKSA-N 1 3 332.532 3.470 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925241887 1325093043 /nfs/dbraw/zinc/09/30/43/1325093043.db2.gz TXEOFVCSZLSOGM-CZUORRHYSA-N 1 3 325.884 3.059 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C[C@H](C)O1 ZINC000925441276 1325151560 /nfs/dbraw/zinc/15/15/60/1325151560.db2.gz YZZKSLOIQDNUST-RCLSDMTESA-N 1 3 345.531 3.272 10 0 EGAEHO C[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495056 1325177121 /nfs/dbraw/zinc/17/71/21/1325177121.db2.gz XBFYQRFBBPXEOJ-MNEFBYGVSA-N 1 3 347.572 3.253 10 0 EGAEHO [NH3+][C@H]1C[C@H](NCC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498752 1325178387 /nfs/dbraw/zinc/17/83/87/1325178387.db2.gz SDOABQSPEGNXTP-GJZGRUSLSA-N 1 3 335.289 3.340 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533168 1325194565 /nfs/dbraw/zinc/19/45/65/1325194565.db2.gz KKZZAOQZQYHDKM-ZWKOTPCHSA-N 1 3 331.504 3.164 10 0 EGAEHO CCOc1c(OC)cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533985 1325196501 /nfs/dbraw/zinc/19/65/01/1325196501.db2.gz HUYOEOAJXNPRRU-HUUCEWRRSA-N 1 3 336.476 3.098 10 0 EGAEHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925779376 1325297847 /nfs/dbraw/zinc/29/78/47/1325297847.db2.gz YCGPUDXWGDIGEK-AAEUAGOBSA-N 1 3 336.348 3.471 10 0 EGAEHO c1cc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804977 1325307096 /nfs/dbraw/zinc/30/70/96/1325307096.db2.gz OQLMGGLWARZZBP-RTWAWAEBSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cc(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804977 1325307106 /nfs/dbraw/zinc/30/71/06/1325307106.db2.gz OQLMGGLWARZZBP-RTWAWAEBSA-N 1 3 338.499 3.173 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000863556799 1329562927 /nfs/dbraw/zinc/56/29/27/1329562927.db2.gz HSHJVCYODWVOHU-BLKABHOGSA-N 1 3 336.479 3.473 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000863556799 1329562928 /nfs/dbraw/zinc/56/29/28/1329562928.db2.gz HSHJVCYODWVOHU-BLKABHOGSA-N 1 3 336.479 3.473 10 0 EGAEHO c1c(CNCCC2CC[NH+](Cc3ccccc3)CC2)nn2c1CCC2 ZINC000865717405 1329732317 /nfs/dbraw/zinc/73/23/17/1329732317.db2.gz BUTNRAPFDYHWDP-UHFFFAOYSA-N 1 3 338.499 3.221 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)C ZINC001323161867 1387305086 /nfs/dbraw/zinc/30/50/86/1387305086.db2.gz QBYDQOSTOYNTKN-QZTJIDSGSA-N 1 3 339.568 3.227 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001324090957 1387538056 /nfs/dbraw/zinc/53/80/56/1387538056.db2.gz SBYWRAGLBYFFJR-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001324729313 1387754656 /nfs/dbraw/zinc/75/46/56/1387754656.db2.gz XIFOJDYOOJVGOE-HXUWFJFHSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CCC(C)(C)C)CC1)N(C)C ZINC001324886389 1387806409 /nfs/dbraw/zinc/80/64/09/1387806409.db2.gz JLBHGIPUBTYZEN-QGZVFWFLSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246027 1377243897 /nfs/dbraw/zinc/24/38/97/1377243897.db2.gz JQELLUBXVLEERB-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001327299104 1388489143 /nfs/dbraw/zinc/48/91/43/1388489143.db2.gz KRSVVOFWTUKTQV-YSIASYRMSA-N 1 3 349.563 3.218 10 0 EGAEHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001327299104 1388489145 /nfs/dbraw/zinc/48/91/45/1388489145.db2.gz KRSVVOFWTUKTQV-YSIASYRMSA-N 1 3 349.563 3.218 10 0 EGAEHO CC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001266501855 1377323610 /nfs/dbraw/zinc/32/36/10/1377323610.db2.gz MJFVHVXLXSPQRH-PYSGZSLQSA-N 1 3 347.547 3.284 10 0 EGAEHO CC1CCC(C[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001268590264 1377513706 /nfs/dbraw/zinc/51/37/06/1377513706.db2.gz DODRTYGWOSOXMI-VOTSOKGWSA-N 1 3 337.552 3.053 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001269544681 1377557910 /nfs/dbraw/zinc/55/79/10/1377557910.db2.gz OMBIWLNWNZLDDK-QGZVFWFLSA-N 1 3 345.531 3.450 10 0 EGAEHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001282167565 1378482782 /nfs/dbraw/zinc/48/27/82/1378482782.db2.gz MDQSRSDJEWZTEE-ZWKOTPCHSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC001283052274 1378718149 /nfs/dbraw/zinc/71/81/49/1378718149.db2.gz NLHGBJCASGTLQF-SOAMZJECSA-N 1 3 345.531 3.189 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248732 1378771114 /nfs/dbraw/zinc/77/11/14/1378771114.db2.gz OLZMKPVOHIFLNT-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001283268449 1378777519 /nfs/dbraw/zinc/77/75/19/1378777519.db2.gz KWQSUICNKWCVEE-HOTGVXAUSA-N 1 3 342.487 3.205 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCCC1)C2 ZINC001327695504 1388585811 /nfs/dbraw/zinc/58/58/11/1388585811.db2.gz IEKYFPNIZXSQGJ-UHFFFAOYSA-N 1 3 343.515 3.149 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CCCC1)C2 ZINC001327695504 1388585813 /nfs/dbraw/zinc/58/58/13/1388585813.db2.gz IEKYFPNIZXSQGJ-UHFFFAOYSA-N 1 3 343.515 3.149 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001283939505 1379288876 /nfs/dbraw/zinc/28/88/76/1379288876.db2.gz MNJPWPXQSDJKSD-VQIMIIECSA-N 1 3 349.494 3.081 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069426 1379429804 /nfs/dbraw/zinc/42/98/04/1379429804.db2.gz QHSOBLJGHMJUAW-GGPKGHCWSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069426 1379429810 /nfs/dbraw/zinc/42/98/10/1379429810.db2.gz QHSOBLJGHMJUAW-GGPKGHCWSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)Cc2ccccc2)C(C)C)CC[N@@H+]1C ZINC001284533976 1379940566 /nfs/dbraw/zinc/94/05/66/1379940566.db2.gz UPTOKKKOBVQROX-VQTJNVASSA-N 1 3 345.531 3.086 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)Cc2ccccc2)C(C)C)CC[N@H+]1C ZINC001284533976 1379940569 /nfs/dbraw/zinc/94/05/69/1379940569.db2.gz UPTOKKKOBVQROX-VQTJNVASSA-N 1 3 345.531 3.086 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001284684046 1380094062 /nfs/dbraw/zinc/09/40/62/1380094062.db2.gz KCPAUSPQASYQTF-PVTFFILZSA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084589 1388667124 /nfs/dbraw/zinc/66/71/24/1388667124.db2.gz YZTKTUSRXNWYPE-JTHGQSKGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC001328084589 1388667127 /nfs/dbraw/zinc/66/71/27/1388667127.db2.gz YZTKTUSRXNWYPE-JTHGQSKGSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)c1 ZINC001328113223 1388676806 /nfs/dbraw/zinc/67/68/06/1388676806.db2.gz MBRQXBDUHTVZAB-IBGZPJMESA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)c1 ZINC001328113223 1388676808 /nfs/dbraw/zinc/67/68/08/1388676808.db2.gz MBRQXBDUHTVZAB-IBGZPJMESA-N 1 3 345.531 3.052 10 0 EGAEHO CC[N@H+](CCCC1CCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001328588586 1388784508 /nfs/dbraw/zinc/78/45/08/1388784508.db2.gz GTJHMAVHTYCNAN-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CC[N@@H+](CCCC1CCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001328588586 1388784510 /nfs/dbraw/zinc/78/45/10/1388784510.db2.gz GTJHMAVHTYCNAN-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)[C@@H](O)CCN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308008769 1384074773 /nfs/dbraw/zinc/07/47/73/1384074773.db2.gz NMVUCHLTGITKDM-PCCBWWKXSA-N 1 3 330.516 3.237 10 0 EGAEHO CC(C)[C@@H](O)CCN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308008769 1384074777 /nfs/dbraw/zinc/07/47/77/1384074777.db2.gz NMVUCHLTGITKDM-PCCBWWKXSA-N 1 3 330.516 3.237 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810853 1384607008 /nfs/dbraw/zinc/60/70/08/1384607008.db2.gz JQICKQLQHDYFDA-LXXRFIIISA-N 1 3 346.519 3.224 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810853 1384607011 /nfs/dbraw/zinc/60/70/11/1384607011.db2.gz JQICKQLQHDYFDA-LXXRFIIISA-N 1 3 346.519 3.224 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877691 1384662000 /nfs/dbraw/zinc/66/20/00/1384662000.db2.gz FYMVUDRUMOELAE-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861493 1384663517 /nfs/dbraw/zinc/66/35/17/1384663517.db2.gz ODFMRGOACYLRKM-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861493 1384663520 /nfs/dbraw/zinc/66/35/20/1384663520.db2.gz ODFMRGOACYLRKM-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001316883238 1384667481 /nfs/dbraw/zinc/66/74/81/1384667481.db2.gz XAGTVFJMGPTVCQ-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001316989812 1384747594 /nfs/dbraw/zinc/74/75/94/1384747594.db2.gz AXASFNJXOHVGGM-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001316989812 1384747596 /nfs/dbraw/zinc/74/75/96/1384747596.db2.gz AXASFNJXOHVGGM-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1)[NH+](CC)CC ZINC001317040760 1384813460 /nfs/dbraw/zinc/81/34/60/1384813460.db2.gz GACFFQHRESUXMT-YVKRRXEKSA-N 1 3 343.943 3.030 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCCC3CCC3)C2)C1 ZINC001317042948 1384816745 /nfs/dbraw/zinc/81/67/45/1384816745.db2.gz LNVUGHCUYCRVDM-QUCCMNQESA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCCC3CCC3)C2)C1 ZINC001317042948 1384816751 /nfs/dbraw/zinc/81/67/51/1384816751.db2.gz LNVUGHCUYCRVDM-QUCCMNQESA-N 1 3 349.563 3.079 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)N(C)C ZINC001317191112 1384965145 /nfs/dbraw/zinc/96/51/45/1384965145.db2.gz AOFFMUUYPHMTMC-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355780 1385102202 /nfs/dbraw/zinc/10/22/02/1385102202.db2.gz MOABEPHNSXPUOV-IRXDYDNUSA-N 1 3 339.568 3.418 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001317415907 1385125858 /nfs/dbraw/zinc/12/58/58/1385125858.db2.gz PGZCNSQURXLBHQ-QZTJIDSGSA-N 1 3 333.520 3.189 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(C)(C)C)N(C)C ZINC001317437704 1385140274 /nfs/dbraw/zinc/14/02/74/1385140274.db2.gz WTNFMFVKDKGGAS-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CCC(C)(C)C)N(C)C ZINC001317437704 1385140276 /nfs/dbraw/zinc/14/02/76/1385140276.db2.gz WTNFMFVKDKGGAS-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317861866 1385546092 /nfs/dbraw/zinc/54/60/92/1385546092.db2.gz FFDIDENLEJXPBG-OYQYDDJWSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317861866 1385546094 /nfs/dbraw/zinc/54/60/94/1385546094.db2.gz FFDIDENLEJXPBG-OYQYDDJWSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001318524357 1385734257 /nfs/dbraw/zinc/73/42/57/1385734257.db2.gz LTSNPLCVSULWRY-JDBYYAOJSA-N 1 3 343.515 3.057 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524808 1385734809 /nfs/dbraw/zinc/73/48/09/1385734809.db2.gz PSYQFUJHRYRWCL-WOJBJXKFSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001318553994 1385752617 /nfs/dbraw/zinc/75/26/17/1385752617.db2.gz DRRRIWCCENJRAV-MAUKXSAKSA-N 1 3 349.494 3.246 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001318553993 1385752961 /nfs/dbraw/zinc/75/29/61/1385752961.db2.gz DRRRIWCCENJRAV-CRAIPNDOSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001318672043 1385830127 /nfs/dbraw/zinc/83/01/27/1385830127.db2.gz WHPSKHKSUQXGBI-UHFFFAOYSA-N 1 3 345.531 3.427 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)C1CCC1 ZINC001319078721 1385954587 /nfs/dbraw/zinc/95/45/87/1385954587.db2.gz RWWWDIOQQDCDPE-LJQANCHMSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001319351600 1386073603 /nfs/dbraw/zinc/07/36/03/1386073603.db2.gz KZYGHQWRMZWOFE-MRXNPFEDSA-N 1 3 341.515 3.018 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001319390267 1386100441 /nfs/dbraw/zinc/10/04/41/1386100441.db2.gz YVISZRBPZHPAED-PJHKVULZSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]C/C=C\c2ccccc2)CCCC1)N(C)C ZINC001698634155 1406278265 /nfs/dbraw/zinc/27/82/65/1406278265.db2.gz OITBDXFXHJPENU-XGCMIMOYSA-N 1 3 343.515 3.059 10 0 EGAEHO CCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001319683530 1386250577 /nfs/dbraw/zinc/25/05/77/1386250577.db2.gz PTOZDHLEYMCMMJ-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919111 1386390898 /nfs/dbraw/zinc/39/08/98/1386390898.db2.gz SGNMKBMHQSNKRY-VQTJNVASSA-N 1 3 345.531 3.100 10 0 EGAEHO C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC001320644685 1386677567 /nfs/dbraw/zinc/67/75/67/1386677567.db2.gz MPDCPXOQBAANLM-QGZVFWFLSA-N 1 3 339.483 3.046 10 0 EGAEHO CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC001321188270 1386835435 /nfs/dbraw/zinc/83/54/35/1386835435.db2.gz GXQORXOBGBYYBK-UBZMYNMCSA-N 1 3 349.906 3.147 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001322281525 1387137800 /nfs/dbraw/zinc/13/78/00/1387137800.db2.gz PWAFHVDNHVBRAC-PKOBYXMFSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001322281525 1387137803 /nfs/dbraw/zinc/13/78/03/1387137803.db2.gz PWAFHVDNHVBRAC-PKOBYXMFSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(CC[NH2+]CCCC3CCC3)CC2)C1 ZINC001698703538 1406345447 /nfs/dbraw/zinc/34/54/47/1406345447.db2.gz MQMYYWKZKSCPKC-GOSISDBHSA-N 1 3 349.563 3.127 10 0 EGAEHO Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001322682382 1387224646 /nfs/dbraw/zinc/22/46/46/1387224646.db2.gz GMTHDOXKCZJWQU-HXUWFJFHSA-N 1 3 347.547 3.136 10 0 EGAEHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001329219819 1389025903 /nfs/dbraw/zinc/02/59/03/1389025903.db2.gz GDJGNIMCMYTDGH-SOAGJPPSSA-N 1 3 349.563 3.410 10 0 EGAEHO CC[C@@H](F)C[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001329243617 1389033643 /nfs/dbraw/zinc/03/36/43/1389033643.db2.gz NLWRCMDCWXTBMQ-KLAILNCOSA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001329759139 1389219523 /nfs/dbraw/zinc/21/95/23/1389219523.db2.gz ALDVWXJXSIUMDQ-QFBILLFUSA-N 1 3 343.531 3.070 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC001698719041 1406363563 /nfs/dbraw/zinc/36/35/63/1406363563.db2.gz BUTNXJSKHAVCME-HXUWFJFHSA-N 1 3 345.531 3.313 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001330536614 1389448032 /nfs/dbraw/zinc/44/80/32/1389448032.db2.gz CCAZDFAFPSZFSL-BGYRXZFFSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001330536614 1389448035 /nfs/dbraw/zinc/44/80/35/1389448035.db2.gz CCAZDFAFPSZFSL-BGYRXZFFSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001332052189 1389960651 /nfs/dbraw/zinc/96/06/51/1389960651.db2.gz XDBFXYKBERJIDS-XLIONFOSSA-N 1 3 345.531 3.231 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113809 1389991460 /nfs/dbraw/zinc/99/14/60/1389991460.db2.gz UDLKKZXABQGOOR-WSTZPKSXSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113809 1389991463 /nfs/dbraw/zinc/99/14/63/1389991463.db2.gz UDLKKZXABQGOOR-WSTZPKSXSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001332438820 1390118306 /nfs/dbraw/zinc/11/83/06/1390118306.db2.gz SSRIWTWOWKWYCB-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001332804836 1390190539 /nfs/dbraw/zinc/19/05/39/1390190539.db2.gz BHOBXQJTSFEONA-KRWDZBQOSA-N 1 3 339.568 3.418 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C)N(C)C ZINC001332882090 1390208326 /nfs/dbraw/zinc/20/83/26/1390208326.db2.gz QYDCTHFCKSEGMM-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@H+](CCC3CCCCC3)CC2)C1 ZINC001333399424 1390296586 /nfs/dbraw/zinc/29/65/86/1390296586.db2.gz HHVBXDWDVQYDPV-SFHVURJKSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@@H+](CCC3CCCCC3)CC2)C1 ZINC001333399424 1390296589 /nfs/dbraw/zinc/29/65/89/1390296589.db2.gz HHVBXDWDVQYDPV-SFHVURJKSA-N 1 3 347.547 3.047 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001333417402 1390299717 /nfs/dbraw/zinc/29/97/17/1390299717.db2.gz OLLKSLZJEXYPNL-FQEVSTJZSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001333417402 1390299720 /nfs/dbraw/zinc/29/97/20/1390299720.db2.gz OLLKSLZJEXYPNL-FQEVSTJZSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001479500468 1392257665 /nfs/dbraw/zinc/25/76/65/1392257665.db2.gz FWOQWIJVYHBFLT-VANUVFSVSA-N 1 3 349.563 3.386 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001479500466 1392257681 /nfs/dbraw/zinc/25/76/81/1392257681.db2.gz FWOQWIJVYHBFLT-JCMVTEASSA-N 1 3 349.563 3.386 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CCCC1CCC1 ZINC001479641432 1392302226 /nfs/dbraw/zinc/30/22/26/1392302226.db2.gz ZSUVEFQSQMOKJE-IPMKNSEASA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CCCC1CCC1 ZINC001479641432 1392302231 /nfs/dbraw/zinc/30/22/31/1392302231.db2.gz ZSUVEFQSQMOKJE-IPMKNSEASA-N 1 3 337.552 3.122 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001479688485 1392320260 /nfs/dbraw/zinc/32/02/60/1392320260.db2.gz RTJHYAQBWXLYHT-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001479688488 1392320278 /nfs/dbraw/zinc/32/02/78/1392320278.db2.gz RTJHYAQBWXLYHT-QWNKOJSDSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001479895947 1392464641 /nfs/dbraw/zinc/46/46/41/1392464641.db2.gz DZCWQDFTNSSTRM-LIXSYLKWSA-N 1 3 335.536 3.140 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295915 1392664069 /nfs/dbraw/zinc/66/40/69/1392664069.db2.gz MMLMJOSSWWVXFH-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378243 1392721454 /nfs/dbraw/zinc/72/14/54/1392721454.db2.gz APHQQANACIQQHJ-WIJVFFIESA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378243 1392721455 /nfs/dbraw/zinc/72/14/55/1392721455.db2.gz APHQQANACIQQHJ-WIJVFFIESA-N 1 3 335.536 3.044 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696313 1392860374 /nfs/dbraw/zinc/86/03/74/1392860374.db2.gz HOFHHMDKGNJOHE-MSOLQXFVSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1)N1CCCC1 ZINC001481053981 1393107786 /nfs/dbraw/zinc/10/77/86/1393107786.db2.gz WJGVDSIPHRRDGU-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1)N1CCCC1 ZINC001481053981 1393107787 /nfs/dbraw/zinc/10/77/87/1393107787.db2.gz WJGVDSIPHRRDGU-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001698900718 1406634337 /nfs/dbraw/zinc/63/43/37/1406634337.db2.gz UCDBLQXPMYCTSW-LJJUJYJISA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001490611427 1394281654 /nfs/dbraw/zinc/28/16/54/1394281654.db2.gz UCPCSSKOWVKWHO-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)c1 ZINC001490742968 1394314152 /nfs/dbraw/zinc/31/41/52/1394314152.db2.gz XUYBGUFOTQRKKE-IBGZPJMESA-N 1 3 345.531 3.282 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950596 1406691281 /nfs/dbraw/zinc/69/12/81/1406691281.db2.gz ADWNIFHAAVNJST-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001491206582 1394471552 /nfs/dbraw/zinc/47/15/52/1394471552.db2.gz OYJQMBJCTDYPQA-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001491206582 1394471555 /nfs/dbraw/zinc/47/15/55/1394471555.db2.gz OYJQMBJCTDYPQA-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816416 1394543150 /nfs/dbraw/zinc/54/31/50/1394543150.db2.gz LPBSRROSTPIWCR-UXHICEINSA-N 1 3 345.531 3.162 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001482220942 1394814036 /nfs/dbraw/zinc/81/40/36/1394814036.db2.gz POCPDKFGJPVMBM-KRWDZBQOSA-N 1 3 349.544 3.141 10 0 EGAEHO CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001482954839 1395098242 /nfs/dbraw/zinc/09/82/42/1395098242.db2.gz AGIXPUCRDMLGEM-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](c1ccc(Cl)cc1)N1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072191 1395233232 /nfs/dbraw/zinc/23/32/32/1395233232.db2.gz RPFNKWMKPZMQPW-BEFAXECRSA-N 1 3 349.906 3.077 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115964 1395260112 /nfs/dbraw/zinc/26/01/12/1395260112.db2.gz YPUKMYBQVURRSH-CTNGQTDRSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC1CCCCC1 ZINC001485427203 1395892569 /nfs/dbraw/zinc/89/25/69/1395892569.db2.gz ADEHBJJNQRVXJT-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001485961066 1396174356 /nfs/dbraw/zinc/17/43/56/1396174356.db2.gz QAAMXKHCJGXBJO-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001501171776 1396189026 /nfs/dbraw/zinc/18/90/26/1396189026.db2.gz HPQHDDIXYPPLDV-HXZZHZHRSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001501171776 1396189027 /nfs/dbraw/zinc/18/90/27/1396189027.db2.gz HPQHDDIXYPPLDV-HXZZHZHRSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001496179558 1396620296 /nfs/dbraw/zinc/62/02/96/1396620296.db2.gz SXBWPILJJWQAAS-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001496366164 1396670072 /nfs/dbraw/zinc/67/00/72/1396670072.db2.gz AJTIGFHFONVJOU-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CCCCCC1)N(C)C ZINC001497204939 1396736601 /nfs/dbraw/zinc/73/66/01/1396736601.db2.gz FUASICKGCKWOQC-AEFFLSMTSA-N 1 3 325.541 3.027 10 0 EGAEHO CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)CN(C)C1CCC1 ZINC001497400905 1396755287 /nfs/dbraw/zinc/75/52/87/1396755287.db2.gz MGVBLIIDTSEGOO-SFHVURJKSA-N 1 3 345.531 3.287 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012446 1406844107 /nfs/dbraw/zinc/84/41/07/1406844107.db2.gz DSNXGDUPYRGTOI-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001689890696 1404187663 /nfs/dbraw/zinc/18/76/63/1404187663.db2.gz CGDGRSFTBHLOJX-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001689890696 1404187669 /nfs/dbraw/zinc/18/76/69/1404187669.db2.gz CGDGRSFTBHLOJX-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001690480258 1404599814 /nfs/dbraw/zinc/59/98/14/1404599814.db2.gz IONVFWAEKQHGOB-RTBURBONSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC/C=C\CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001690540662 1404626986 /nfs/dbraw/zinc/62/69/86/1404626986.db2.gz XFSGOJYPPNPCAO-LWKOZHHOSA-N 1 3 335.536 3.092 10 0 EGAEHO CCC/C=C/CC[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001690544594 1404628668 /nfs/dbraw/zinc/62/86/68/1404628668.db2.gz UKRQJMBELBLIOY-AATRIKPKSA-N 1 3 332.492 3.024 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1)N1CCCC1 ZINC001691091858 1405026563 /nfs/dbraw/zinc/02/65/63/1405026563.db2.gz HYQPHDUPTRWREZ-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCC1)N1CCCC1 ZINC001691091858 1405026568 /nfs/dbraw/zinc/02/65/68/1405026568.db2.gz HYQPHDUPTRWREZ-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001691228409 1405168306 /nfs/dbraw/zinc/16/83/06/1405168306.db2.gz KOIPTFJPAUPEFP-RCCFBDPRSA-N 1 3 337.552 3.172 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001691620099 1405360786 /nfs/dbraw/zinc/36/07/86/1405360786.db2.gz GTZWZTAVQYGGKX-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691680001 1405416083 /nfs/dbraw/zinc/41/60/83/1405416083.db2.gz ZUBINLSAZOZKHU-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691691539 1405425834 /nfs/dbraw/zinc/42/58/34/1405425834.db2.gz AZYWCVNAOXNNQM-QWNKOJSDSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001691792386 1405502026 /nfs/dbraw/zinc/50/20/26/1405502026.db2.gz NHVQTIHJXHZWIM-GOSISDBHSA-N 1 3 331.504 3.108 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCC2CCCCC2)CC1 ZINC001692006851 1405724168 /nfs/dbraw/zinc/72/41/68/1405724168.db2.gz UOIXHLAMLYNMPJ-HXUWFJFHSA-N 1 3 349.563 3.221 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CCCCC2)CC1 ZINC001692006851 1405724172 /nfs/dbraw/zinc/72/41/72/1405724172.db2.gz UOIXHLAMLYNMPJ-HXUWFJFHSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC(C)C ZINC001692226671 1405856300 /nfs/dbraw/zinc/85/63/00/1405856300.db2.gz AUIKOYOFSLRGLK-OTWHNJEPSA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@H+]1CC(C)C ZINC001692226671 1405856306 /nfs/dbraw/zinc/85/63/06/1405856306.db2.gz AUIKOYOFSLRGLK-OTWHNJEPSA-N 1 3 337.552 3.122 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001698581821 1406193859 /nfs/dbraw/zinc/19/38/59/1406193859.db2.gz OLBBRWGTAWMTCI-YZPMEYCISA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001698581821 1406193861 /nfs/dbraw/zinc/19/38/61/1406193861.db2.gz OLBBRWGTAWMTCI-YZPMEYCISA-N 1 3 335.536 3.138 10 0 EGAEHO CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001698589177 1406209947 /nfs/dbraw/zinc/20/99/47/1406209947.db2.gz ZGYRMDSXBCYBLO-RBUKOAKNSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001732021093 1428238302 /nfs/dbraw/zinc/23/83/02/1428238302.db2.gz AYGHVTCVWNSWNP-MJGOQNOKSA-N 1 3 345.531 3.354 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001732022674 1428240356 /nfs/dbraw/zinc/24/03/56/1428240356.db2.gz BNLBYWYMGOQGDC-IEBWSBKVSA-N 1 3 331.504 3.106 10 0 EGAEHO CCCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036560 1428257875 /nfs/dbraw/zinc/25/78/75/1428257875.db2.gz GRWASPRVFRPXHN-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CCCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001732036560 1428257878 /nfs/dbraw/zinc/25/78/78/1428257878.db2.gz GRWASPRVFRPXHN-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001732085933 1428345964 /nfs/dbraw/zinc/34/59/64/1428345964.db2.gz BZSMMOBZMYVMHQ-PXDRNWIDSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001732085933 1428345968 /nfs/dbraw/zinc/34/59/68/1428345968.db2.gz BZSMMOBZMYVMHQ-PXDRNWIDSA-N 1 3 349.563 3.388 10 0 EGAEHO C[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001732086157 1428346236 /nfs/dbraw/zinc/34/62/36/1428346236.db2.gz ISPROMYDTMUJNE-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO C[N@@H+](CCCC(C)(C)C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001732086157 1428346241 /nfs/dbraw/zinc/34/62/41/1428346241.db2.gz ISPROMYDTMUJNE-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001732316209 1428527412 /nfs/dbraw/zinc/52/74/12/1428527412.db2.gz JZVUYRGFLNSOJJ-KHVGHEEMSA-N 1 3 349.906 3.019 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001732316209 1428527413 /nfs/dbraw/zinc/52/74/13/1428527413.db2.gz JZVUYRGFLNSOJJ-KHVGHEEMSA-N 1 3 349.906 3.019 10 0 EGAEHO CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001699161218 1412544806 /nfs/dbraw/zinc/54/48/06/1412544806.db2.gz VPCFYFIVQABUNH-YLJYHZDGSA-N 1 3 345.531 3.108 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001699554746 1412921672 /nfs/dbraw/zinc/92/16/72/1412921672.db2.gz YEUXMLVOXPOPAQ-AZUAARDMSA-N 1 3 345.531 3.369 10 0 EGAEHO CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001699680484 1413074781 /nfs/dbraw/zinc/07/47/81/1413074781.db2.gz PXKXGUYXPYKLCX-YQQQUEKLSA-N 1 3 337.552 3.265 10 0 EGAEHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C)c1ccccc1 ZINC001699766260 1413171077 /nfs/dbraw/zinc/17/10/77/1413171077.db2.gz DBFYWTVLVKYTQT-MOPGFXCFSA-N 1 3 331.504 3.059 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294303 1413753528 /nfs/dbraw/zinc/75/35/28/1413753528.db2.gz PYKCXNIAJSSGID-DVBCCOPCSA-N 1 3 346.519 3.224 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294303 1413753536 /nfs/dbraw/zinc/75/35/36/1413753536.db2.gz PYKCXNIAJSSGID-DVBCCOPCSA-N 1 3 346.519 3.224 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](CCC(C)C)CC2 ZINC001700333459 1413814376 /nfs/dbraw/zinc/81/43/76/1413814376.db2.gz WMAQNSXQYYITKD-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361287 1413874869 /nfs/dbraw/zinc/87/48/69/1413874869.db2.gz BDHWENYIWLQLAS-XOUUWWQPSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361287 1413874873 /nfs/dbraw/zinc/87/48/73/1413874873.db2.gz BDHWENYIWLQLAS-XOUUWWQPSA-N 1 3 349.563 3.243 10 0 EGAEHO Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700398042 1413931268 /nfs/dbraw/zinc/93/12/68/1413931268.db2.gz SQFWAXWULDWSKR-QZTJIDSGSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700575192 1414248941 /nfs/dbraw/zinc/24/89/41/1414248941.db2.gz DOSQERNVJNWOEG-RTBURBONSA-N 1 3 349.563 3.290 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001701062413 1414718738 /nfs/dbraw/zinc/71/87/38/1414718738.db2.gz AQVRGKJMRPHCDQ-UYAOXDASSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001701062413 1414718743 /nfs/dbraw/zinc/71/87/43/1414718743.db2.gz AQVRGKJMRPHCDQ-UYAOXDASSA-N 1 3 349.563 3.291 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001707122440 1417210176 /nfs/dbraw/zinc/21/01/76/1417210176.db2.gz AILPERRBXQXWLP-IHHMQQGQSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001707122454 1417210193 /nfs/dbraw/zinc/21/01/93/1417210193.db2.gz AILPERRBXQXWLP-UCFODXPJSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CN(C)C(C)C)c1 ZINC001707277205 1417284345 /nfs/dbraw/zinc/28/43/45/1417284345.db2.gz WYJURRSIRPWLHS-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CN(C)C(C)C)c1 ZINC001707277205 1417284352 /nfs/dbraw/zinc/28/43/52/1417284352.db2.gz WYJURRSIRPWLHS-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@H+](C)CC2CC(C)(C)C2)c1 ZINC001712990888 1417542563 /nfs/dbraw/zinc/54/25/63/1417542563.db2.gz ILQNLKSZWJMPNB-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@@H+](C)CC2CC(C)(C)C2)c1 ZINC001712990888 1417542566 /nfs/dbraw/zinc/54/25/66/1417542566.db2.gz ILQNLKSZWJMPNB-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001713094590 1417643568 /nfs/dbraw/zinc/64/35/68/1417643568.db2.gz FLVXJWUWPTUATF-GOSISDBHSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001713168236 1417741803 /nfs/dbraw/zinc/74/18/03/1417741803.db2.gz BJAJJLLSFXTEPT-IYARVYRRSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](C(C)C)CC[C@H]21 ZINC001713182511 1417756943 /nfs/dbraw/zinc/75/69/43/1417756943.db2.gz OGGMSIPEKKBRDR-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](C(C)C)CC[C@H]21 ZINC001713182511 1417756948 /nfs/dbraw/zinc/75/69/48/1417756948.db2.gz OGGMSIPEKKBRDR-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713233382 1417819735 /nfs/dbraw/zinc/81/97/35/1417819735.db2.gz QKQFKEUMBNTQES-HPFMTEOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001713239898 1417825557 /nfs/dbraw/zinc/82/55/57/1417825557.db2.gz ZWDHQPSCTBTNEI-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001713423663 1418049788 /nfs/dbraw/zinc/04/97/88/1418049788.db2.gz ZDYWMOZMGCDFDR-QUCCMNQESA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)N1CCCC1 ZINC001713510839 1418239309 /nfs/dbraw/zinc/23/93/09/1418239309.db2.gz HTOLRNDCXIKLGY-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1)N1CCCC1 ZINC001713510839 1418239316 /nfs/dbraw/zinc/23/93/16/1418239316.db2.gz HTOLRNDCXIKLGY-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO Cc1cccc(C[NH2+][C@H](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001713684031 1418436653 /nfs/dbraw/zinc/43/66/53/1418436653.db2.gz GUDULXKSCNHTIN-GOSISDBHSA-N 1 3 345.531 3.052 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1)N(C)C ZINC001713700093 1418456884 /nfs/dbraw/zinc/45/68/84/1418456884.db2.gz AYCKCGFPXCDMOO-UXHICEINSA-N 1 3 343.515 3.274 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975223 1418754768 /nfs/dbraw/zinc/75/47/68/1418754768.db2.gz JSBUGHOHJQWOEI-LJGXYGFNSA-N 1 3 347.547 3.140 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975223 1418754775 /nfs/dbraw/zinc/75/47/75/1418754775.db2.gz JSBUGHOHJQWOEI-LJGXYGFNSA-N 1 3 347.547 3.140 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978383 1418759863 /nfs/dbraw/zinc/75/98/63/1418759863.db2.gz UTKHIYYQTJFDHA-OALUTQOASA-N 1 3 349.563 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978383 1418759865 /nfs/dbraw/zinc/75/98/65/1418759865.db2.gz UTKHIYYQTJFDHA-OALUTQOASA-N 1 3 349.563 3.077 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092614 1418886497 /nfs/dbraw/zinc/88/64/97/1418886497.db2.gz AVTYWMYHOJYKJL-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(CC(=O)N[C@@](C)(C[NH2+]CC1=CCCCC1)C1CC1)CC(C)(C)C ZINC001714171810 1418979648 /nfs/dbraw/zinc/97/96/48/1418979648.db2.gz JQZOLJMUGRKTFF-NRFANRHFSA-N 1 3 349.563 3.339 10 0 EGAEHO CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001714187092 1418994217 /nfs/dbraw/zinc/99/42/17/1418994217.db2.gz GSGFEENEZYCFTD-JVSUKQCGSA-N 1 3 335.536 3.233 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001714302790 1419082849 /nfs/dbraw/zinc/08/28/49/1419082849.db2.gz LIHXMGRFTHULMT-KZNAEPCWSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001714302789 1419082910 /nfs/dbraw/zinc/08/29/10/1419082910.db2.gz LIHXMGRFTHULMT-BZSNNMDCSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001715252974 1419976952 /nfs/dbraw/zinc/97/69/52/1419976952.db2.gz GMNKGCBYZQVJQN-PKOBYXMFSA-N 1 3 349.563 3.172 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001715256829 1419979268 /nfs/dbraw/zinc/97/92/68/1419979268.db2.gz OTZSPKQMHCJRCC-ROUUACIJSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001715495427 1420176548 /nfs/dbraw/zinc/17/65/48/1420176548.db2.gz YVXYSUFKWQKKRH-MOPGFXCFSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC001715495428 1420176558 /nfs/dbraw/zinc/17/65/58/1420176558.db2.gz YVXYSUFKWQKKRH-OALUTQOASA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001715538156 1420234827 /nfs/dbraw/zinc/23/48/27/1420234827.db2.gz XNPIHEDYHGHDEJ-MJGOQNOKSA-N 1 3 333.520 3.095 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001715538156 1420234829 /nfs/dbraw/zinc/23/48/29/1420234829.db2.gz XNPIHEDYHGHDEJ-MJGOQNOKSA-N 1 3 333.520 3.095 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001715978097 1420438172 /nfs/dbraw/zinc/43/81/72/1420438172.db2.gz VIIJYZDLXCXVOB-QGKOQGRUSA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001716022710 1420478117 /nfs/dbraw/zinc/47/81/17/1420478117.db2.gz FLMWVSYNXQFZIR-OAHLLOKOSA-N 1 3 339.911 3.131 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001716022710 1420478119 /nfs/dbraw/zinc/47/81/19/1420478119.db2.gz FLMWVSYNXQFZIR-OAHLLOKOSA-N 1 3 339.911 3.131 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001716414885 1420644198 /nfs/dbraw/zinc/64/41/98/1420644198.db2.gz WRSVLBXXDPIKHM-XLIONFOSSA-N 1 3 345.531 3.106 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001716455206 1420670121 /nfs/dbraw/zinc/67/01/21/1420670121.db2.gz RYQPRRQFIFHABV-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H]([NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001716567382 1420762787 /nfs/dbraw/zinc/76/27/87/1420762787.db2.gz QJICQZDAJFWPAE-KRWDZBQOSA-N 1 3 333.520 3.164 10 0 EGAEHO CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001733272063 1429434802 /nfs/dbraw/zinc/43/48/02/1429434802.db2.gz GCKNPFNRFQHLBH-WIKPNOFVSA-N 1 3 347.547 3.186 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001716653947 1420807911 /nfs/dbraw/zinc/80/79/11/1420807911.db2.gz SBNUXMUMOWQGMO-RBUKOAKNSA-N 1 3 335.536 3.022 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001716653947 1420807915 /nfs/dbraw/zinc/80/79/15/1420807915.db2.gz SBNUXMUMOWQGMO-RBUKOAKNSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001716733206 1420892086 /nfs/dbraw/zinc/89/20/86/1420892086.db2.gz BEEJAUBAPZLYHA-PZJWPPBQSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001716733206 1420892089 /nfs/dbraw/zinc/89/20/89/1420892089.db2.gz BEEJAUBAPZLYHA-PZJWPPBQSA-N 1 3 349.563 3.366 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829882 1420956079 /nfs/dbraw/zinc/95/60/79/1420956079.db2.gz FFGNCFDJXAUUCV-NGXITPROSA-N 1 3 349.563 3.389 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829882 1420956082 /nfs/dbraw/zinc/95/60/82/1420956082.db2.gz FFGNCFDJXAUUCV-NGXITPROSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001716968690 1421056314 /nfs/dbraw/zinc/05/63/14/1421056314.db2.gz DMOLBNRGCZPOBU-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111360 1421115084 /nfs/dbraw/zinc/11/50/84/1421115084.db2.gz QWWAORPXTLDQBH-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001717201372 1421169106 /nfs/dbraw/zinc/16/91/06/1421169106.db2.gz ANYPQQRZMSGXJI-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001717201372 1421169108 /nfs/dbraw/zinc/16/91/08/1421169108.db2.gz ANYPQQRZMSGXJI-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC1([NH2+]CC2CCCCC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001717236097 1421204356 /nfs/dbraw/zinc/20/43/56/1421204356.db2.gz KDLSKKZTJXIUOB-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC1([NH2+]CCC2CCCC2)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001717240034 1421208379 /nfs/dbraw/zinc/20/83/79/1421208379.db2.gz IAOFCERFXQMSEN-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CCCCC2)C1 ZINC001717370149 1421308299 /nfs/dbraw/zinc/30/82/99/1421308299.db2.gz CDQRFSDALUVKFI-UYAOXDASSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CCCCC2)C1 ZINC001717370149 1421308303 /nfs/dbraw/zinc/30/83/03/1421308303.db2.gz CDQRFSDALUVKFI-UYAOXDASSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001717456852 1421386011 /nfs/dbraw/zinc/38/60/11/1421386011.db2.gz NBVDBUZMQWEZIE-IAGOWNOFSA-N 1 3 348.535 3.243 10 0 EGAEHO CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001717542891 1421483620 /nfs/dbraw/zinc/48/36/20/1421483620.db2.gz NUZBJYLVXMXAFQ-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001717542891 1421483622 /nfs/dbraw/zinc/48/36/22/1421483622.db2.gz NUZBJYLVXMXAFQ-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001717652672 1421552186 /nfs/dbraw/zinc/55/21/86/1421552186.db2.gz QRBRFPGGFKHFAC-MKXGPGLRSA-N 1 3 337.552 3.027 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001717980993 1421752553 /nfs/dbraw/zinc/75/25/53/1421752553.db2.gz UDZGHCFTDQCENE-OAHLLOKOSA-N 1 3 348.535 3.304 10 0 EGAEHO CC(C)CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001733449687 1429660865 /nfs/dbraw/zinc/66/08/65/1429660865.db2.gz CRPAUGPNHARQGN-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)N1CCCCC1 ZINC001722939604 1424266730 /nfs/dbraw/zinc/26/67/30/1424266730.db2.gz NCXXUQXEIYKOKH-RTBURBONSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@H](CC)C1 ZINC001723388165 1424382762 /nfs/dbraw/zinc/38/27/62/1424382762.db2.gz ZHIRDKJGNAMXJJ-MOPGFXCFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720795 1424546410 /nfs/dbraw/zinc/54/64/10/1424546410.db2.gz DYONNEJOGQIZSC-NJRZHNRPSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720795 1424546415 /nfs/dbraw/zinc/54/64/15/1424546415.db2.gz DYONNEJOGQIZSC-NJRZHNRPSA-N 1 3 349.563 3.245 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723855169 1424586000 /nfs/dbraw/zinc/58/60/00/1424586000.db2.gz DXJRWCCLSOJMPB-HKUYNNGSSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001723950293 1424610251 /nfs/dbraw/zinc/61/02/51/1424610251.db2.gz WPMCCNRKSFXWJX-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001733537738 1429744036 /nfs/dbraw/zinc/74/40/36/1429744036.db2.gz WQJGNIJJUJNQAF-KJYWSYJISA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001724125563 1424676443 /nfs/dbraw/zinc/67/64/43/1424676443.db2.gz GSBAWTDQPMVFOG-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001724125563 1424676444 /nfs/dbraw/zinc/67/64/44/1424676444.db2.gz GSBAWTDQPMVFOG-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](C[C@H](C)CC)CC1 ZINC001724294705 1424779668 /nfs/dbraw/zinc/77/96/68/1424779668.db2.gz WBUHYQAZUYHIHV-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@H](C)CC)CC1 ZINC001724294704 1424780073 /nfs/dbraw/zinc/78/00/73/1424780073.db2.gz WBUHYQAZUYHIHV-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512325 1424889662 /nfs/dbraw/zinc/88/96/62/1424889662.db2.gz ROGHWVPIISZZBF-UXHICEINSA-N 1 3 345.531 3.279 10 0 EGAEHO CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001724612479 1424954756 /nfs/dbraw/zinc/95/47/56/1424954756.db2.gz FGTVZXQVMZWFGI-AKHDSKFASA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001724612479 1424954759 /nfs/dbraw/zinc/95/47/59/1424954759.db2.gz FGTVZXQVMZWFGI-AKHDSKFASA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001724750166 1425120169 /nfs/dbraw/zinc/12/01/69/1425120169.db2.gz RHPWGIWULSHTGO-LPHOPBHVSA-N 1 3 349.494 3.043 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001724750166 1425120172 /nfs/dbraw/zinc/12/01/72/1425120172.db2.gz RHPWGIWULSHTGO-LPHOPBHVSA-N 1 3 349.494 3.043 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724753113 1425123281 /nfs/dbraw/zinc/12/32/81/1425123281.db2.gz YACDOTJINOZQNT-SFHVURJKSA-N 1 3 343.515 3.156 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1 ZINC001724795354 1425162626 /nfs/dbraw/zinc/16/26/26/1425162626.db2.gz FGOAFUSVBDQFRX-KRWDZBQOSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1cccc(C[NH2+][C@H](CCN(C)C(=O)CN2CCCC2)C(C)C)c1 ZINC001725214629 1425778891 /nfs/dbraw/zinc/77/88/91/1425778891.db2.gz QTYBECQMHFYZAE-HXUWFJFHSA-N 1 3 345.531 3.054 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001725622657 1426288015 /nfs/dbraw/zinc/28/80/15/1426288015.db2.gz HVYUAEIKHNETNI-ROUUACIJSA-N 1 3 337.552 3.316 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC001725669153 1426352520 /nfs/dbraw/zinc/35/25/20/1426352520.db2.gz IMLYIYAOUVFIDW-LKGOPFMKSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680147 1426367927 /nfs/dbraw/zinc/36/79/27/1426367927.db2.gz MLRPUFSBOLIWIJ-YJBOKZPZSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)Cc1cccc(C)c1)C(C)C)N(C)C ZINC001725730091 1426398916 /nfs/dbraw/zinc/39/89/16/1426398916.db2.gz PVFDJOLQFJYOOF-IBGZPJMESA-N 1 3 333.520 3.004 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1cccc(C)c1)C(C)C)N(C)C ZINC001725730091 1426398921 /nfs/dbraw/zinc/39/89/21/1426398921.db2.gz PVFDJOLQFJYOOF-IBGZPJMESA-N 1 3 333.520 3.004 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295521 1427237875 /nfs/dbraw/zinc/23/78/75/1427237875.db2.gz DWUGIKLDOPBUQW-WMZOPIPTSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001731414503 1427383235 /nfs/dbraw/zinc/38/32/35/1427383235.db2.gz PZJPXIHLVJBBPQ-IBGZPJMESA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001731414503 1427383241 /nfs/dbraw/zinc/38/32/41/1427383241.db2.gz PZJPXIHLVJBBPQ-IBGZPJMESA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)CC(C)(C)C ZINC001731487040 1427461862 /nfs/dbraw/zinc/46/18/62/1427461862.db2.gz ZPHLLKZTPKKHEQ-HDICACEKSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555031 1427580025 /nfs/dbraw/zinc/58/00/25/1427580025.db2.gz QFCZAXGENDZBLT-MJGOQNOKSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001731555031 1427580029 /nfs/dbraw/zinc/58/00/29/1427580029.db2.gz QFCZAXGENDZBLT-MJGOQNOKSA-N 1 3 347.547 3.188 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692942 1427741660 /nfs/dbraw/zinc/74/16/60/1427741660.db2.gz QCLQGPINRPAYOM-MOPGFXCFSA-N 1 3 349.563 3.458 10 0 EGAEHO CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001731715029 1427777882 /nfs/dbraw/zinc/77/78/82/1427777882.db2.gz OJFLTXJOCKZVLV-MYQPPDNISA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001731715029 1427777891 /nfs/dbraw/zinc/77/78/91/1427777891.db2.gz OJFLTXJOCKZVLV-MYQPPDNISA-N 1 3 337.552 3.242 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001731754889 1427854167 /nfs/dbraw/zinc/85/41/67/1427854167.db2.gz DVUZSVRBAIGESE-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001731754889 1427854170 /nfs/dbraw/zinc/85/41/70/1427854170.db2.gz DVUZSVRBAIGESE-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CCC(C[N@H+](C)CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001731796005 1427949449 /nfs/dbraw/zinc/94/94/49/1427949449.db2.gz NLDHTSXCRYFOHA-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CC1CCC(C[N@@H+](C)CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001731796005 1427949452 /nfs/dbraw/zinc/94/94/52/1427949452.db2.gz NLDHTSXCRYFOHA-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001731885540 1428160934 /nfs/dbraw/zinc/16/09/34/1428160934.db2.gz PRGBBNVKVCGOSU-QZTJIDSGSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001731885540 1428160935 /nfs/dbraw/zinc/16/09/35/1428160935.db2.gz PRGBBNVKVCGOSU-QZTJIDSGSA-N 1 3 349.563 3.410 10 0 EGAEHO CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001733577911 1429781132 /nfs/dbraw/zinc/78/11/32/1429781132.db2.gz IFAOFZXDYWGIHZ-DVMSICGOSA-N 1 3 349.563 3.101 10 0 EGAEHO CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001733577911 1429781133 /nfs/dbraw/zinc/78/11/33/1429781133.db2.gz IFAOFZXDYWGIHZ-DVMSICGOSA-N 1 3 349.563 3.101 10 0 EGAEHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763386 1429981312 /nfs/dbraw/zinc/98/13/12/1429981312.db2.gz JNJFBFBQTFDMOM-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763386 1429981317 /nfs/dbraw/zinc/98/13/17/1429981317.db2.gz JNJFBFBQTFDMOM-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733783053 1430051060 /nfs/dbraw/zinc/05/10/60/1430051060.db2.gz VQOFPEMPROHPAA-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733783053 1430051068 /nfs/dbraw/zinc/05/10/68/1430051068.db2.gz VQOFPEMPROHPAA-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009087 1437800624 /nfs/dbraw/zinc/80/06/24/1437800624.db2.gz QMQRVPFAPCZAEN-HZPDHXFCSA-N 1 3 325.541 3.027 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001734485006 1438128388 /nfs/dbraw/zinc/12/83/88/1438128388.db2.gz IUWAEXIWSMISQS-ZWKOTPCHSA-N 1 3 344.503 3.026 10 0 EGAEHO Cc1nn(C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000111392116 220150142 /nfs/dbraw/zinc/15/01/42/220150142.db2.gz UJLCLEIYRBZCBP-IHWFROFDSA-N 1 3 338.499 3.322 10 0 EGAEHO C[C@](O)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000112526016 220344073 /nfs/dbraw/zinc/34/40/73/220344073.db2.gz GSOLGGOVRHIIAR-QFIPXVFZSA-N 1 3 338.495 3.191 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246911763 141043355 /nfs/dbraw/zinc/04/33/55/141043355.db2.gz PTZHOHFSZICJIR-NUJGCVRESA-N 1 3 349.544 3.122 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246911763 141043356 /nfs/dbraw/zinc/04/33/56/141043356.db2.gz PTZHOHFSZICJIR-NUJGCVRESA-N 1 3 349.544 3.122 10 0 EGAEHO C[NH+]1CCC(CC(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000346814209 156146278 /nfs/dbraw/zinc/14/62/78/156146278.db2.gz MHXNLOZQRDZMRQ-UHFFFAOYSA-N 1 3 329.488 3.343 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000245718835 162879838 /nfs/dbraw/zinc/87/98/38/162879838.db2.gz OLNOIBMFDIAPQZ-OQIJWPOYSA-N 1 3 343.515 3.075 10 0 EGAEHO Fc1ccc(-c2noc(CCCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000248453777 163006790 /nfs/dbraw/zinc/00/67/90/163006790.db2.gz HAWHQSZAYOCAJI-SJORKVTESA-N 1 3 344.434 3.025 10 0 EGAEHO Fc1ccc(-c2noc(CCCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000248453777 163006791 /nfs/dbraw/zinc/00/67/91/163006791.db2.gz HAWHQSZAYOCAJI-SJORKVTESA-N 1 3 344.434 3.025 10 0 EGAEHO c1cn(-c2csc(CN3CCC(C[NH+]4CCCC4)CC3)c2)cn1 ZINC000346134061 164345538 /nfs/dbraw/zinc/34/55/38/164345538.db2.gz FEYUDWURHJWPCQ-UHFFFAOYSA-N 1 3 330.501 3.242 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cn1 ZINC000346169701 164355420 /nfs/dbraw/zinc/35/54/20/164355420.db2.gz MTNVJVRQOAVKSI-DNVCBOLYSA-N 1 3 342.512 3.383 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cn1 ZINC000346169701 164355422 /nfs/dbraw/zinc/35/54/22/164355422.db2.gz MTNVJVRQOAVKSI-DNVCBOLYSA-N 1 3 342.512 3.383 10 0 EGAEHO CC[N@H+](CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1)CC1CC1 ZINC000346507789 164388445 /nfs/dbraw/zinc/38/84/45/164388445.db2.gz UYYQDXCWTUXTBM-INIZCTEOSA-N 1 3 336.442 3.134 10 0 EGAEHO CC[N@@H+](CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1)CC1CC1 ZINC000346507789 164388446 /nfs/dbraw/zinc/38/84/46/164388446.db2.gz UYYQDXCWTUXTBM-INIZCTEOSA-N 1 3 336.442 3.134 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000183422906 276004504 /nfs/dbraw/zinc/00/45/04/276004504.db2.gz JMRBBOXEWQHBFI-IEBWSBKVSA-N 1 3 349.906 3.076 10 0 EGAEHO C[C@@H](NCc1ccc2cncn2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414198900 309066378 /nfs/dbraw/zinc/06/63/78/309066378.db2.gz YLKLDSBZMYPCTO-MRXNPFEDSA-N 1 3 338.455 3.126 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293753535 308158659 /nfs/dbraw/zinc/15/86/59/308158659.db2.gz OISYNUGYDXDHGC-HZPDHXFCSA-N 1 3 331.460 3.026 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295872000 308369500 /nfs/dbraw/zinc/36/95/00/308369500.db2.gz GGOWZQSDIQEKJP-KXEVLKFVSA-N 1 3 327.516 3.112 10 0 EGAEHO CN1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000297657188 308554095 /nfs/dbraw/zinc/55/40/95/308554095.db2.gz NRHPUDRIWZBWPC-RTWAWAEBSA-N 1 3 336.483 3.085 10 0 EGAEHO Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397679192 308904686 /nfs/dbraw/zinc/90/46/86/308904686.db2.gz KVNMUCMHXVHSPM-UHFFFAOYSA-N 1 3 330.497 3.173 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)[C@H](C)N ZINC000415011458 309114234 /nfs/dbraw/zinc/11/42/34/309114234.db2.gz HVUNDJVTLLQRRR-YGOYTEALSA-N 1 3 344.299 3.384 10 0 EGAEHO c1ccc(-c2noc(CCCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420386363 309285734 /nfs/dbraw/zinc/28/57/34/309285734.db2.gz FRLUKADNVMFXLO-ROUUACIJSA-N 1 3 340.471 3.133 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)nc2c1 ZINC000422699061 309363718 /nfs/dbraw/zinc/36/37/18/309363718.db2.gz CIHSOCSFPCSADJ-IXDOHACOSA-N 1 3 326.488 3.396 10 0 EGAEHO c1ccc2[nH]c(CCCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000422699061 309363719 /nfs/dbraw/zinc/36/37/19/309363719.db2.gz CIHSOCSFPCSADJ-IXDOHACOSA-N 1 3 326.488 3.396 10 0 EGAEHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422730440 309365430 /nfs/dbraw/zinc/36/54/30/309365430.db2.gz FAELMWNIPIXLNE-KZNAEPCWSA-N 1 3 333.545 3.007 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422779950 309367895 /nfs/dbraw/zinc/36/78/95/309367895.db2.gz CLKVJLHIRLSYPS-BRSBDYLESA-N 1 3 332.488 3.363 10 0 EGAEHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818901 309370230 /nfs/dbraw/zinc/37/02/30/309370230.db2.gz HJMLQAHQACNUMC-NJDAHSKKSA-N 1 3 338.499 3.315 10 0 EGAEHO c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)cc2)c1 ZINC000422818901 309370231 /nfs/dbraw/zinc/37/02/31/309370231.db2.gz HJMLQAHQACNUMC-NJDAHSKKSA-N 1 3 338.499 3.315 10 0 EGAEHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916758 309376067 /nfs/dbraw/zinc/37/60/67/309376067.db2.gz DZPXARVFBWPVTJ-UGGKCQTMSA-N 1 3 334.463 3.463 10 0 EGAEHO Clc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1Cl ZINC000422930011 309376604 /nfs/dbraw/zinc/37/66/04/309376604.db2.gz ASHGWUMUXMAQMP-FVQBIDKESA-N 1 3 343.298 3.283 10 0 EGAEHO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422935408 309376997 /nfs/dbraw/zinc/37/69/97/309376997.db2.gz AIPSNAFPGDDWJM-CQSZACIVSA-N 1 3 327.472 3.486 10 0 EGAEHO Cc1ccc([C@H](CCn2cncn2)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423242516 309391981 /nfs/dbraw/zinc/39/19/81/309391981.db2.gz MCQJCYYELJCCJH-UXHICEINSA-N 1 3 335.455 3.008 10 0 EGAEHO CC1(C)CCCN[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423779868 309412370 /nfs/dbraw/zinc/41/23/70/309412370.db2.gz VXNKNLLQOSFYGN-GOSISDBHSA-N 1 3 329.488 3.042 10 0 EGAEHO CN(C)[C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000433351941 309686980 /nfs/dbraw/zinc/68/69/80/309686980.db2.gz KVXFKQYOBHFTKU-FQEVSTJZSA-N 1 3 343.515 3.014 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000436292423 309751970 /nfs/dbraw/zinc/75/19/70/309751970.db2.gz NDDNUTCFMZGHIW-JQHSSLGASA-N 1 3 348.487 3.009 10 0 EGAEHO CCN1CCC[C@@H](C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449108862 310037744 /nfs/dbraw/zinc/03/77/44/310037744.db2.gz WJQMVXXNTFGYBD-CTNGQTDRSA-N 1 3 343.559 3.404 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H](CO)C2CCOCC2)CC1 ZINC000449230685 310046419 /nfs/dbraw/zinc/04/64/19/310046419.db2.gz BAGSZURWTLSGGD-GOSISDBHSA-N 1 3 340.552 3.043 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000449230685 310046420 /nfs/dbraw/zinc/04/64/20/310046420.db2.gz BAGSZURWTLSGGD-GOSISDBHSA-N 1 3 340.552 3.043 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000453223712 310265159 /nfs/dbraw/zinc/26/51/59/310265159.db2.gz SGTISRORFBRBRX-QGZVFWFLSA-N 1 3 334.504 3.484 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000453226087 310265368 /nfs/dbraw/zinc/26/53/68/310265368.db2.gz WSLJYBMQNQLGFL-QGZVFWFLSA-N 1 3 334.504 3.484 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H]2CCC[C@H]21 ZINC000513697637 312215523 /nfs/dbraw/zinc/21/55/23/312215523.db2.gz PZQYZLOUYJPLPB-CEXWTWQISA-N 1 3 343.446 3.486 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H]2CCC[C@H]21 ZINC000513697637 312215526 /nfs/dbraw/zinc/21/55/26/312215526.db2.gz PZQYZLOUYJPLPB-CEXWTWQISA-N 1 3 343.446 3.486 10 0 EGAEHO OC1(CN2CC[C@H](C[NH+]3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385692 313080689 /nfs/dbraw/zinc/08/06/89/313080689.db2.gz DQCVTZKXIUQOQC-JSRJAPPDSA-N 1 3 342.527 3.493 10 0 EGAEHO OC1(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385692 313080691 /nfs/dbraw/zinc/08/06/91/313080691.db2.gz DQCVTZKXIUQOQC-JSRJAPPDSA-N 1 3 342.527 3.493 10 0 EGAEHO OC1(C[N@H+]2CC[C@H](CN3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385692 313080695 /nfs/dbraw/zinc/08/06/95/313080695.db2.gz DQCVTZKXIUQOQC-JSRJAPPDSA-N 1 3 342.527 3.493 10 0 EGAEHO c1ccc(OCC2CC2)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247629 313505645 /nfs/dbraw/zinc/50/56/45/313505645.db2.gz BEHBDEQZQYVNOP-FQEVSTJZSA-N 1 3 344.499 3.066 10 0 EGAEHO Cc1nn(C)c2ncc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc12 ZINC000559272481 315625596 /nfs/dbraw/zinc/62/55/96/315625596.db2.gz NVKCHBQJRSDCPO-UHFFFAOYSA-N 1 3 349.482 3.162 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCSC(C)C)CC1 ZINC000565561208 316340074 /nfs/dbraw/zinc/34/00/74/316340074.db2.gz JWEFOTVDRLXLBP-UHFFFAOYSA-N 1 3 335.561 3.450 10 0 EGAEHO O[C@@H](CC1CCCC1)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000583779505 325550505 /nfs/dbraw/zinc/55/05/05/325550505.db2.gz XMTRDAAAAMZAOG-SFHVURJKSA-N 1 3 339.483 3.298 10 0 EGAEHO CO[C@](C)(CN[C@H]1CC[N@@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563980 460615531 /nfs/dbraw/zinc/61/55/31/460615531.db2.gz OTLJZOCZNAFGAK-AZUAARDMSA-N 1 3 334.504 3.071 10 0 EGAEHO CO[C@](C)(CN[C@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563980 460615528 /nfs/dbraw/zinc/61/55/28/460615528.db2.gz OTLJZOCZNAFGAK-AZUAARDMSA-N 1 3 334.504 3.071 10 0 EGAEHO CN1CCC(N2CCC([NH2+][C@@H]3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000130942503 454226839 /nfs/dbraw/zinc/22/68/39/454226839.db2.gz GTNXWZYYLHVYLC-PZJWPPBQSA-N 1 3 341.543 3.471 10 0 EGAEHO Cc1cc2c(cc1C)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCCO2 ZINC000154391258 454892779 /nfs/dbraw/zinc/89/27/79/454892779.db2.gz BVPDKNRRPNQRAR-HXUWFJFHSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000180461869 455174189 /nfs/dbraw/zinc/17/41/89/455174189.db2.gz HOJOIOMUOYDJNY-HKUYNNGSSA-N 1 3 349.906 3.074 10 0 EGAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246128842 455433036 /nfs/dbraw/zinc/43/30/36/455433036.db2.gz QTLAUGANNLLRBE-MSOLQXFVSA-N 1 3 339.487 3.135 10 0 EGAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000246128842 455433043 /nfs/dbraw/zinc/43/30/43/455433043.db2.gz QTLAUGANNLLRBE-MSOLQXFVSA-N 1 3 339.487 3.135 10 0 EGAEHO COc1c(C)cc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1C ZINC000192730255 455681156 /nfs/dbraw/zinc/68/11/56/455681156.db2.gz WPELVTQFBJADGW-UHFFFAOYSA-N 1 3 347.547 3.160 10 0 EGAEHO COc1c(C)cc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1C ZINC000192730255 455681162 /nfs/dbraw/zinc/68/11/62/455681162.db2.gz WPELVTQFBJADGW-UHFFFAOYSA-N 1 3 347.547 3.160 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000268895067 455721737 /nfs/dbraw/zinc/72/17/37/455721737.db2.gz ARVQBOHEEHUCCW-HZEGPAAWSA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@](C)(O)c1cccs1 ZINC000269052878 455776961 /nfs/dbraw/zinc/77/69/61/455776961.db2.gz RNXKPUALALHIOC-YVWKXTFCSA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@](C)(O)c1cccs1 ZINC000269052878 455776964 /nfs/dbraw/zinc/77/69/64/455776964.db2.gz RNXKPUALALHIOC-YVWKXTFCSA-N 1 3 344.524 3.456 10 0 EGAEHO Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)o1 ZINC000272409276 455941427 /nfs/dbraw/zinc/94/14/27/455941427.db2.gz KVQWULSOQVZSKC-IYWMVGAKSA-N 1 3 340.467 3.407 10 0 EGAEHO CCCc1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301789297 456215291 /nfs/dbraw/zinc/21/52/91/456215291.db2.gz MLXNDFQGETVRQQ-HOTGVXAUSA-N 1 3 327.472 3.079 10 0 EGAEHO C[C@H](NCc1ccc2cncn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297486359 456232663 /nfs/dbraw/zinc/23/26/63/456232663.db2.gz KCKHPDCHRYILKD-FXAWDEMLSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H](NCc1ccc2cncn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297486359 456232668 /nfs/dbraw/zinc/23/26/68/456232668.db2.gz KCKHPDCHRYILKD-FXAWDEMLSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc2cncn2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297486359 456232674 /nfs/dbraw/zinc/23/26/74/456232674.db2.gz KCKHPDCHRYILKD-FXAWDEMLSA-N 1 3 334.467 3.335 10 0 EGAEHO Cc1ccc2[nH+]ccc(N3CCC(CN4CCOCC4)CC3)c2c1 ZINC000302148009 456298734 /nfs/dbraw/zinc/29/87/34/456298734.db2.gz JBHYVHGBXPTZPD-UHFFFAOYSA-N 1 3 325.456 3.092 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000340474449 456481715 /nfs/dbraw/zinc/48/17/15/456481715.db2.gz RVWXSJOQTHLLSQ-PXNSSMCTSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000340474449 456481724 /nfs/dbraw/zinc/48/17/24/456481724.db2.gz RVWXSJOQTHLLSQ-PXNSSMCTSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000340517488 456503787 /nfs/dbraw/zinc/50/37/87/456503787.db2.gz QTPFYWIQMVSWBG-HXUWFJFHSA-N 1 3 341.503 3.078 10 0 EGAEHO C[C@H]1C[C@H](NCCOc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000291035447 456505383 /nfs/dbraw/zinc/50/53/83/456505383.db2.gz AGWHMMLKCGWATL-FUHWJXTLSA-N 1 3 343.446 3.242 10 0 EGAEHO C[C@H]1C[C@H](NCCOc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000291035447 456505389 /nfs/dbraw/zinc/50/53/89/456505389.db2.gz AGWHMMLKCGWATL-FUHWJXTLSA-N 1 3 343.446 3.242 10 0 EGAEHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000307946936 456570863 /nfs/dbraw/zinc/57/08/63/456570863.db2.gz LQGLYVFTASTBEA-NPYXIHBLSA-N 1 3 342.405 3.085 10 0 EGAEHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000307946936 456570871 /nfs/dbraw/zinc/57/08/71/456570871.db2.gz LQGLYVFTASTBEA-NPYXIHBLSA-N 1 3 342.405 3.085 10 0 EGAEHO O[C@@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)CN1CCCC1 ZINC000341662853 456889613 /nfs/dbraw/zinc/88/96/13/456889613.db2.gz XVQDCRQPEVVMIH-LEWJYISDSA-N 1 3 342.458 3.156 10 0 EGAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000381178348 457420622 /nfs/dbraw/zinc/42/06/22/457420622.db2.gz IBGKXCFKERDYKG-XLIONFOSSA-N 1 3 339.483 3.103 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000356414337 457615203 /nfs/dbraw/zinc/61/52/03/457615203.db2.gz HDATZOMSPXRMDD-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000356414337 457615209 /nfs/dbraw/zinc/61/52/09/457615209.db2.gz HDATZOMSPXRMDD-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO COC1CCC(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000361926042 457959199 /nfs/dbraw/zinc/95/91/99/457959199.db2.gz PRGZVSQXMRHXNW-MUYFXNHWSA-N 1 3 334.504 3.483 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@H]2CCC[C@@H]21 ZINC000375836122 458087236 /nfs/dbraw/zinc/08/72/36/458087236.db2.gz BCLRLPAUIXREGX-WOPDTQHZSA-N 1 3 333.423 3.167 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@H]2CCC[C@@H]21 ZINC000375836122 458087247 /nfs/dbraw/zinc/08/72/47/458087247.db2.gz BCLRLPAUIXREGX-WOPDTQHZSA-N 1 3 333.423 3.167 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375890055 458110640 /nfs/dbraw/zinc/11/06/40/458110640.db2.gz RGVCIWZLCUNWEV-AQNXPRMDSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375890055 458110647 /nfs/dbraw/zinc/11/06/47/458110647.db2.gz RGVCIWZLCUNWEV-AQNXPRMDSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000375890055 458110652 /nfs/dbraw/zinc/11/06/52/458110652.db2.gz RGVCIWZLCUNWEV-AQNXPRMDSA-N 1 3 343.515 3.179 10 0 EGAEHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459326434 458330788 /nfs/dbraw/zinc/33/07/88/458330788.db2.gz MMEFBOUSLZOUSX-WKDRNLAYSA-N 1 3 341.543 3.281 10 0 EGAEHO CC(C)(C)Oc1cccc(CNC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000459465847 458381470 /nfs/dbraw/zinc/38/14/70/458381470.db2.gz XYKIMZJECXVEBT-UHFFFAOYSA-N 1 3 340.471 3.413 10 0 EGAEHO COc1cccc2c1CC[C@@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)C2 ZINC000423523831 458451108 /nfs/dbraw/zinc/45/11/08/458451108.db2.gz ISZYTCIXGVQCRG-RBUQQAGCSA-N 1 3 340.511 3.296 10 0 EGAEHO COc1cccc2c1CC[C@@H](NCC1([NH3+])C3CC4CC(C3)CC1C4)C2 ZINC000423523831 458451109 /nfs/dbraw/zinc/45/11/09/458451109.db2.gz ISZYTCIXGVQCRG-RBUQQAGCSA-N 1 3 340.511 3.296 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527080 458452276 /nfs/dbraw/zinc/45/22/76/458452276.db2.gz MBRMULPWGZKUFW-HHBOAIGYSA-N 1 3 332.532 3.325 10 0 EGAEHO CC1=CCN(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548158597 458847539 /nfs/dbraw/zinc/84/75/39/458847539.db2.gz QHBRFIOOOXUVID-TZIWHRDSSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158597 458847542 /nfs/dbraw/zinc/84/75/42/458847542.db2.gz QHBRFIOOOXUVID-TZIWHRDSSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548158597 458847549 /nfs/dbraw/zinc/84/75/49/458847549.db2.gz QHBRFIOOOXUVID-TZIWHRDSSA-N 1 3 327.516 3.139 10 0 EGAEHO C[C@H]1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533407 458876247 /nfs/dbraw/zinc/87/62/47/458876247.db2.gz YVYPGTDXDAUISB-AZUAARDMSA-N 1 3 327.516 3.115 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000560527068 459366151 /nfs/dbraw/zinc/36/61/51/459366151.db2.gz LEVBYQSAYHAVNE-GGPKGHCWSA-N 1 3 338.499 3.263 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000560527068 459366156 /nfs/dbraw/zinc/36/61/56/459366156.db2.gz LEVBYQSAYHAVNE-GGPKGHCWSA-N 1 3 338.499 3.263 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCCCCC1 ZINC000541566161 459467328 /nfs/dbraw/zinc/46/73/28/459467328.db2.gz ZWWJRBNTOFPIMH-QGZVFWFLSA-N 1 3 345.531 3.427 10 0 EGAEHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629519465 460792462 /nfs/dbraw/zinc/79/24/62/460792462.db2.gz AFRNYZXLLCBSAV-LBPRGKRZSA-N 1 3 349.475 3.416 10 0 EGAEHO Clc1cccc2c(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556170 460805175 /nfs/dbraw/zinc/80/51/75/460805175.db2.gz LUCNAZKWNDDXAF-BPQIPLTHSA-N 1 3 347.890 3.111 10 0 EGAEHO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1 ZINC000629702974 460875003 /nfs/dbraw/zinc/87/50/03/460875003.db2.gz YKPMCLJPNSUKBX-KRWDZBQOSA-N 1 3 336.483 3.143 10 0 EGAEHO C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1 ZINC000629702974 460875009 /nfs/dbraw/zinc/87/50/09/460875009.db2.gz YKPMCLJPNSUKBX-KRWDZBQOSA-N 1 3 336.483 3.143 10 0 EGAEHO CC[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662459476 461251144 /nfs/dbraw/zinc/25/11/44/461251144.db2.gz ZPQVNUHRNPOCTI-RBUKOAKNSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCN3CCCCC3)CC2)n1 ZINC000649780196 461346007 /nfs/dbraw/zinc/34/60/07/461346007.db2.gz YHWOBCGUWZISFB-AEFFLSMTSA-N 1 3 346.519 3.324 10 0 EGAEHO COc1ccc([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000655805624 461466125 /nfs/dbraw/zinc/46/61/25/461466125.db2.gz QGLZIZZFXFLLQF-UPJWGTAASA-N 1 3 341.293 3.449 10 0 EGAEHO C[C@@H](Cc1cccs1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000666234746 461522416 /nfs/dbraw/zinc/52/24/16/461522416.db2.gz XDMYDTMQTBVNOA-KRWDZBQOSA-N 1 3 344.524 3.296 10 0 EGAEHO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369055 461595463 /nfs/dbraw/zinc/59/54/63/461595463.db2.gz VZAGIQZZZZJICZ-RBUKOAKNSA-N 1 3 330.516 3.285 10 0 EGAEHO CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000631166084 461604626 /nfs/dbraw/zinc/60/46/26/461604626.db2.gz FSYVKNPNRSQDNL-CTNGQTDRSA-N 1 3 337.467 3.080 10 0 EGAEHO CN1CC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1(C)C ZINC000631190295 461628569 /nfs/dbraw/zinc/62/85/69/461628569.db2.gz IKMXNVHLSPCJGB-BBRMVZONSA-N 1 3 328.859 3.365 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000663502143 461674641 /nfs/dbraw/zinc/67/46/41/461674641.db2.gz GMTITVQDUYCDLX-WMLDXEAASA-N 1 3 339.911 3.040 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)NCC1([NH3+])CCCC1 ZINC000656788709 461897569 /nfs/dbraw/zinc/89/75/69/461897569.db2.gz BNKODYULTSVAFS-NSHDSACASA-N 1 3 329.257 3.380 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(N)CCCC1 ZINC000656788709 461897571 /nfs/dbraw/zinc/89/75/71/461897571.db2.gz BNKODYULTSVAFS-NSHDSACASA-N 1 3 329.257 3.380 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653871625 461910562 /nfs/dbraw/zinc/91/05/62/461910562.db2.gz HOEASZKDFUNAJA-MRXNPFEDSA-N 1 3 331.495 3.206 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000644532043 461973147 /nfs/dbraw/zinc/97/31/47/461973147.db2.gz VKMBKODROPETNL-RTBURBONSA-N 1 3 348.531 3.260 10 0 EGAEHO CC[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301322 462028331 /nfs/dbraw/zinc/02/83/31/462028331.db2.gz ZUUXLRPJNWVXIJ-TZIWHRDSSA-N 1 3 345.531 3.054 10 0 EGAEHO c1csc(C[NH+]2CCC(CNCc3cn(C4CCC4)nn3)CC2)c1 ZINC000657338563 462058287 /nfs/dbraw/zinc/05/82/87/462058287.db2.gz PXKWJEZULQMDDZ-UHFFFAOYSA-N 1 3 345.516 3.066 10 0 EGAEHO Cc1ccc2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000657368462 462076417 /nfs/dbraw/zinc/07/64/17/462076417.db2.gz WWTBQNOZANCBEM-IAGOWNOFSA-N 1 3 329.488 3.455 10 0 EGAEHO C[C@@H](CCNCc1ccnn1-c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000657384032 462087025 /nfs/dbraw/zinc/08/70/25/462087025.db2.gz QSIJTYRGVJJZLT-SFHVURJKSA-N 1 3 349.482 3.268 10 0 EGAEHO C[C@@H](CCNCc1ccnn1-c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000657384032 462087028 /nfs/dbraw/zinc/08/70/28/462087028.db2.gz QSIJTYRGVJJZLT-SFHVURJKSA-N 1 3 349.482 3.268 10 0 EGAEHO Cc1ccc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)[nH]c2c1 ZINC000657399852 462098259 /nfs/dbraw/zinc/09/82/59/462098259.db2.gz JKNXFRDFHOKBIL-NHCUHLMSSA-N 1 3 341.499 3.334 10 0 EGAEHO Cc1ccc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)[nH]c2c1 ZINC000657399858 462098847 /nfs/dbraw/zinc/09/88/47/462098847.db2.gz JKNXFRDFHOKBIL-SFTDATJTSA-N 1 3 341.499 3.334 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667502114 462116394 /nfs/dbraw/zinc/11/63/94/462116394.db2.gz UMQYBNYMQZGKKO-UHFFFAOYSA-N 1 3 341.503 3.211 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667502114 462116401 /nfs/dbraw/zinc/11/64/01/462116401.db2.gz UMQYBNYMQZGKKO-UHFFFAOYSA-N 1 3 341.503 3.211 10 0 EGAEHO CC1(C)C[N@@H+]([C@@H]2CCOC2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837097 462209842 /nfs/dbraw/zinc/20/98/42/462209842.db2.gz MMCFCVMBRWNGTF-WOJBJXKFSA-N 1 3 328.500 3.398 10 0 EGAEHO CC1(C)C[N@H+]([C@@H]2CCOC2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837097 462209850 /nfs/dbraw/zinc/20/98/50/462209850.db2.gz MMCFCVMBRWNGTF-WOJBJXKFSA-N 1 3 328.500 3.398 10 0 EGAEHO c1nc(-c2ccncc2)sc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812457 462280075 /nfs/dbraw/zinc/28/00/75/462280075.db2.gz COONYIANXQYSEA-UHFFFAOYSA-N 1 3 342.512 3.417 10 0 EGAEHO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000651699112 462308064 /nfs/dbraw/zinc/30/80/64/462308064.db2.gz HMTJNUWAKKOUJR-ICSRJNTNSA-N 1 3 331.504 3.036 10 0 EGAEHO O[C@@]1(C2CC2)CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000661632380 462336378 /nfs/dbraw/zinc/33/63/78/462336378.db2.gz OXLSJJYTMTYXQK-NRFANRHFSA-N 1 3 328.500 3.409 10 0 EGAEHO O[C@@]1(C2CC2)CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000661632380 462336381 /nfs/dbraw/zinc/33/63/81/462336381.db2.gz OXLSJJYTMTYXQK-NRFANRHFSA-N 1 3 328.500 3.409 10 0 EGAEHO CCC[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658068463 462366133 /nfs/dbraw/zinc/36/61/33/462366133.db2.gz WQRPARPVFNCTLZ-IBGZPJMESA-N 1 3 331.504 3.403 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138994 462401836 /nfs/dbraw/zinc/40/18/36/462401836.db2.gz KMEFANKOJBBYEJ-KDOFPFPSSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138994 462401843 /nfs/dbraw/zinc/40/18/43/462401843.db2.gz KMEFANKOJBBYEJ-KDOFPFPSSA-N 1 3 346.421 3.382 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139212 462402253 /nfs/dbraw/zinc/40/22/53/462402253.db2.gz PKTFCVLULKNFKF-YADHBBJMSA-N 1 3 336.479 3.494 10 0 EGAEHO Cc1cc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140643 462403176 /nfs/dbraw/zinc/40/31/76/462403176.db2.gz VSMZLMBCIPXBDS-HNAYVOBHSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1cc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140643 462403182 /nfs/dbraw/zinc/40/31/82/462403182.db2.gz VSMZLMBCIPXBDS-HNAYVOBHSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1cccc2c1CC[C@H]2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139973 462403516 /nfs/dbraw/zinc/40/35/16/462403516.db2.gz PCBZNNXUXBPNHL-DENIHFKCSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1cccc2c1CC[C@H]2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139973 462403521 /nfs/dbraw/zinc/40/35/21/462403521.db2.gz PCBZNNXUXBPNHL-DENIHFKCSA-N 1 3 336.479 3.339 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCc4occc43)cc2)C1 ZINC000658141952 462405036 /nfs/dbraw/zinc/40/50/36/462405036.db2.gz YEMQRNNFXBVGSB-HKUYNNGSSA-N 1 3 326.440 3.013 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCc4occc43)cc2)C1 ZINC000658141952 462405040 /nfs/dbraw/zinc/40/50/40/462405040.db2.gz YEMQRNNFXBVGSB-HKUYNNGSSA-N 1 3 326.440 3.013 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)C1 ZINC000658147282 462407069 /nfs/dbraw/zinc/40/70/69/462407069.db2.gz YGALSKXDZURMDP-IRLDBZIGSA-N 1 3 336.479 3.420 10 0 EGAEHO COc1cccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658143271 462407842 /nfs/dbraw/zinc/40/78/42/462407842.db2.gz HBCYRSZCTNNDPM-JXFKEZNVSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1cccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658143271 462407847 /nfs/dbraw/zinc/40/78/47/462407847.db2.gz HBCYRSZCTNNDPM-JXFKEZNVSA-N 1 3 340.467 3.113 10 0 EGAEHO FC1(F)C[C@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168636 462416707 /nfs/dbraw/zinc/41/67/07/462416707.db2.gz IPUUIELSWNNOCW-ZJPYXAASSA-N 1 3 336.426 3.196 10 0 EGAEHO FC1(F)C[C@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658168636 462416714 /nfs/dbraw/zinc/41/67/14/462416714.db2.gz IPUUIELSWNNOCW-ZJPYXAASSA-N 1 3 336.426 3.196 10 0 EGAEHO CCCN1CC[C@H]([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000658284874 462456004 /nfs/dbraw/zinc/45/60/04/462456004.db2.gz HJQGFFFHNVXMDG-NQIIRXRSSA-N 1 3 329.532 3.156 10 0 EGAEHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H]1CCOC1 ZINC000310183644 547461176 /nfs/dbraw/zinc/46/11/76/547461176.db2.gz WYIYTMJUSHPQQO-NXNFSMPISA-N 1 3 328.500 3.302 10 0 EGAEHO CCCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000390883857 547829293 /nfs/dbraw/zinc/82/92/93/547829293.db2.gz UZEFZGCDPDOQGO-WVVQBRDUSA-N 1 3 327.516 3.256 10 0 EGAEHO CC(C)C[NH+]1CCC(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000118973571 1293248582 /nfs/dbraw/zinc/24/85/82/1293248582.db2.gz IMNAGXRZQUEQMN-QGZVFWFLSA-N 1 3 339.524 3.096 10 0 EGAEHO C[NH2+]C[C@@H]1CCCN([C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000234393106 1296180992 /nfs/dbraw/zinc/18/09/92/1296180992.db2.gz OZPIKKIZPUPIFF-ZFWWWQNUSA-N 1 3 325.294 3.312 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000872044534 1296695648 /nfs/dbraw/zinc/69/56/48/1296695648.db2.gz BZJNMNRUPMTYJG-TVFCKZIOSA-N 1 3 326.525 3.059 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCNCC1(C)C ZINC000311530001 1297108021 /nfs/dbraw/zinc/10/80/21/1297108021.db2.gz XTXVDMCTIJIYAU-WFASDCNBSA-N 1 3 325.294 3.358 10 0 EGAEHO c1c(CNCCC2CC[NH+](Cc3ccccc3)CC2)nc2ncccn12 ZINC000877698546 1299490151 /nfs/dbraw/zinc/49/01/51/1299490151.db2.gz YLSLDTRTHWXUNF-UHFFFAOYSA-N 1 3 349.482 3.121 10 0 EGAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894766601 1309058632 /nfs/dbraw/zinc/05/86/32/1309058632.db2.gz SIECCXLMMMTZTI-UHFFFAOYSA-N 1 3 338.455 3.352 10 0 EGAEHO c1csc(CN2CCC[C@@H](C[NH2+][C@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850838 1328602647 /nfs/dbraw/zinc/60/26/47/1328602647.db2.gz ALQXCQJTDZXYCA-YOEHRIQHSA-N 1 3 330.501 3.350 10 0 EGAEHO Cc1cc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)nn1 ZINC000929487067 1328612377 /nfs/dbraw/zinc/61/23/77/1328612377.db2.gz ZYGJIKVKUTYXKC-UHFFFAOYSA-N 1 3 338.499 3.437 10 0 EGAEHO Cc1cc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)nn1 ZINC000929487067 1328612380 /nfs/dbraw/zinc/61/23/80/1328612380.db2.gz ZYGJIKVKUTYXKC-UHFFFAOYSA-N 1 3 338.499 3.437 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140838 1328693476 /nfs/dbraw/zinc/69/34/76/1328693476.db2.gz IIIQDNVECDGJIN-HUUCEWRRSA-N 1 3 331.287 3.489 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC2CC2)[C@H]2CCCC[C@@H]12 ZINC000923312072 1322731420 /nfs/dbraw/zinc/73/14/20/1322731420.db2.gz HLKZPAYAKOUMBK-HNULKUCHSA-N 1 3 349.563 3.312 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC2CC2)[C@H]2CCCC[C@@H]12 ZINC000923312072 1322731424 /nfs/dbraw/zinc/73/14/24/1322731424.db2.gz HLKZPAYAKOUMBK-HNULKUCHSA-N 1 3 349.563 3.312 10 0 EGAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(COCC(F)(F)F)cc1 ZINC000924623703 1323080254 /nfs/dbraw/zinc/08/02/54/1323080254.db2.gz IQAAWONJYQYAEG-SJPCQFCGSA-N 1 3 342.405 3.195 10 0 EGAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(COCC(F)(F)F)cc1 ZINC000924623703 1323080261 /nfs/dbraw/zinc/08/02/61/1323080261.db2.gz IQAAWONJYQYAEG-SJPCQFCGSA-N 1 3 342.405 3.195 10 0 EGAEHO C[C@]12CN(CCCn3ccnc3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931217388 1329072575 /nfs/dbraw/zinc/07/25/75/1329072575.db2.gz ORRPEROLXJOMSU-NHCUHLMSSA-N 1 3 338.499 3.117 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931309004 1329090552 /nfs/dbraw/zinc/09/05/52/1329090552.db2.gz PXCCUXZLJOTMDP-NHCUHLMSSA-N 1 3 343.515 3.296 10 0 EGAEHO COc1ccc(CCC[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)cc1OC ZINC000925482091 1325170116 /nfs/dbraw/zinc/17/01/16/1325170116.db2.gz PVEPZQXCOJOGGA-SNRMKQJTSA-N 1 3 332.488 3.003 10 0 EGAEHO COc1cccc([C@H](CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)N(C)C)c1 ZINC000925493022 1325175118 /nfs/dbraw/zinc/17/51/18/1325175118.db2.gz JIPMYNWHMPDYTG-NJYVYQBISA-N 1 3 345.531 3.056 10 0 EGAEHO COc1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1OC(F)F ZINC000925510898 1325184358 /nfs/dbraw/zinc/18/43/58/1325184358.db2.gz BHOGMOXXLLWUFQ-STQMWFEESA-N 1 3 328.403 3.292 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925511177 1325184900 /nfs/dbraw/zinc/18/49/00/1325184900.db2.gz HWZDGWMQKAPRRA-ZWKOTPCHSA-N 1 3 326.488 3.184 10 0 EGAEHO CC1(C)C[C@@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C[C@@H]([NH3+])C1 ZINC000925530643 1325194141 /nfs/dbraw/zinc/19/41/41/1325194141.db2.gz GFKXPZUAIYSBAX-VNHYZAJKSA-N 1 3 346.393 3.114 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925551848 1325204813 /nfs/dbraw/zinc/20/48/13/1325204813.db2.gz UFQGNZVYBUDNCA-KBPBESRZSA-N 1 3 337.895 3.473 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCN(CC(C)C)C2)n(C)n1 ZINC000925589178 1325223882 /nfs/dbraw/zinc/22/38/82/1325223882.db2.gz VZHNTGWSCKRBHS-IRFCIJBXSA-N 1 3 346.563 3.397 10 0 EGAEHO COc1cccc2[nH]cc(CC[NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)c21 ZINC000925629169 1325238444 /nfs/dbraw/zinc/23/84/44/1325238444.db2.gz MKBHSQPVJDKLHL-CCKFTAQKSA-N 1 3 327.472 3.085 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Br)cs1 ZINC000925776852 1325295606 /nfs/dbraw/zinc/29/56/06/1325295606.db2.gz MZKOPTPDJNEZFM-IUCAKERBSA-N 1 3 339.249 3.406 10 0 EGAEHO CCc1ccccc1NC(=O)C[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839267 1325322323 /nfs/dbraw/zinc/32/23/23/1325322323.db2.gz BDQYFCWLLNBLTG-QKYXUNIQSA-N 1 3 329.488 3.088 10 0 EGAEHO Cc1nc2c(cccc2CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)o1 ZINC000925838762 1325322434 /nfs/dbraw/zinc/32/24/34/1325322434.db2.gz NXSUKPFYAXMEDT-MSOLQXFVSA-N 1 3 327.472 3.437 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCN(CC3CC3)C2)n(C)n1 ZINC000926737317 1327692557 /nfs/dbraw/zinc/69/25/57/1327692557.db2.gz FMKUSCAYCPHWOD-DYXWJJEUSA-N 1 3 344.547 3.151 10 0 EGAEHO C[NH+](C)CC[C@H](N[C@H]1CCC[C@@H]1Cc1ccccn1)c1cccnc1 ZINC000926902562 1327765799 /nfs/dbraw/zinc/76/57/99/1327765799.db2.gz YWNJDYVLMWTJNY-QMMLZNLJSA-N 1 3 338.499 3.470 10 0 EGAEHO c1ccc([C@H]2C[C@@H](NCCOC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000927076666 1327846268 /nfs/dbraw/zinc/84/62/68/1327846268.db2.gz LOPPBORUGAXPKL-GHTZIAJQSA-N 1 3 344.499 3.140 10 0 EGAEHO c1ccc([C@H]2C[C@@H](NCCOC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000927076666 1327846272 /nfs/dbraw/zinc/84/62/72/1327846272.db2.gz LOPPBORUGAXPKL-GHTZIAJQSA-N 1 3 344.499 3.140 10 0 EGAEHO COCc1ccc(CNCC2(c3ccccc3)CC[NH+](C)CC2)o1 ZINC000865774064 1329736866 /nfs/dbraw/zinc/73/68/66/1329736866.db2.gz OFYNGLMTLFEUBL-UHFFFAOYSA-N 1 3 328.456 3.179 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705653 1330142895 /nfs/dbraw/zinc/14/28/95/1330142895.db2.gz FOUUEDKDBDHSEP-LJQANCHMSA-N 1 3 335.467 3.160 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705653 1330142896 /nfs/dbraw/zinc/14/28/96/1330142896.db2.gz FOUUEDKDBDHSEP-LJQANCHMSA-N 1 3 335.467 3.160 10 0 EGAEHO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705264 1330142913 /nfs/dbraw/zinc/14/29/13/1330142913.db2.gz WMLSEAXWJZUCAC-LJQANCHMSA-N 1 3 349.544 3.434 10 0 EGAEHO CSc1ccccc1NC(=O)CC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705264 1330142915 /nfs/dbraw/zinc/14/29/15/1330142915.db2.gz WMLSEAXWJZUCAC-LJQANCHMSA-N 1 3 349.544 3.434 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2cncc(C)c2)cc1 ZINC000866719708 1330144368 /nfs/dbraw/zinc/14/43/68/1330144368.db2.gz BWXXHSLNUAMZDD-AZUAARDMSA-N 1 3 325.456 3.278 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001323170621 1387306287 /nfs/dbraw/zinc/30/62/87/1387306287.db2.gz RWQFYAUTHAKFNL-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCN1CCC1CCCCC1)[NH+]1CCCC1 ZINC001323278256 1387322414 /nfs/dbraw/zinc/32/24/14/1387322414.db2.gz OODYZPWBMKAQCB-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001323442449 1387370812 /nfs/dbraw/zinc/37/08/12/1387370812.db2.gz OCXWJDUSHVKXCN-GOSISDBHSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001323669221 1387421095 /nfs/dbraw/zinc/42/10/95/1387421095.db2.gz HBODRNQLKLZZDO-IPQPSQTFSA-N 1 3 335.536 3.041 10 0 EGAEHO C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+](CCc1ccns1)C2 ZINC001197590564 1368848232 /nfs/dbraw/zinc/84/82/32/1368848232.db2.gz SPPSBTSWJVSZCY-PKOBYXMFSA-N 1 3 327.497 3.140 10 0 EGAEHO C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CCc1ccns1)C2 ZINC001197590564 1368848236 /nfs/dbraw/zinc/84/82/36/1368848236.db2.gz SPPSBTSWJVSZCY-PKOBYXMFSA-N 1 3 327.497 3.140 10 0 EGAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001325629218 1388014417 /nfs/dbraw/zinc/01/44/17/1388014417.db2.gz JUVSRANFMGTUDA-OKYOBFRVSA-N 1 3 335.536 3.019 10 0 EGAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001325629218 1388014422 /nfs/dbraw/zinc/01/44/22/1388014422.db2.gz JUVSRANFMGTUDA-OKYOBFRVSA-N 1 3 335.536 3.019 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129049 1388393338 /nfs/dbraw/zinc/39/33/38/1388393338.db2.gz FLLZXNUJZJTHQT-HPFMTEOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129049 1388393340 /nfs/dbraw/zinc/39/33/40/1388393340.db2.gz FLLZXNUJZJTHQT-HPFMTEOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC1CC(C[N@H+](CCCNC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001266138450 1377203154 /nfs/dbraw/zinc/20/31/54/1377203154.db2.gz HNDXOVGXGDOFHQ-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CC(C[N@@H+](CCCNC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001266138450 1377203156 /nfs/dbraw/zinc/20/31/56/1377203156.db2.gz HNDXOVGXGDOFHQ-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001266361257 1377296207 /nfs/dbraw/zinc/29/62/07/1377296207.db2.gz JXTIZOHODFOVQQ-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001266361257 1377296209 /nfs/dbraw/zinc/29/62/09/1377296209.db2.gz JXTIZOHODFOVQQ-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CC(C)(C)C1 ZINC001267264495 1377435470 /nfs/dbraw/zinc/43/54/70/1377435470.db2.gz BSDHHJNMAYLETG-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CC(C)(C)C1 ZINC001267264495 1377435474 /nfs/dbraw/zinc/43/54/74/1377435474.db2.gz BSDHHJNMAYLETG-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001268161592 1377489762 /nfs/dbraw/zinc/48/97/62/1377489762.db2.gz DHCAJDHREJKPAW-IBGZPJMESA-N 1 3 349.494 3.028 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693657 1377564464 /nfs/dbraw/zinc/56/44/64/1377564464.db2.gz XQNUGSYEBOOTSH-SGSXCFNPSA-N 1 3 344.503 3.013 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693657 1377564466 /nfs/dbraw/zinc/56/44/66/1377564466.db2.gz XQNUGSYEBOOTSH-SGSXCFNPSA-N 1 3 344.503 3.013 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001277364063 1378219972 /nfs/dbraw/zinc/21/99/72/1378219972.db2.gz YTWSBZDPPANWMN-DNVCBOLYSA-N 1 3 349.494 3.028 10 0 EGAEHO CN(CC(=O)N(C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1)CC(C)(C)C ZINC001283534758 1379005534 /nfs/dbraw/zinc/00/55/34/1379005534.db2.gz ZGTQPDBTKNVNQZ-LJQANCHMSA-N 1 3 349.563 3.291 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284193951 1379587231 /nfs/dbraw/zinc/58/72/31/1379587231.db2.gz HSYIHHUZDFSREO-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001284331881 1379727584 /nfs/dbraw/zinc/72/75/84/1379727584.db2.gz LCGZSXPBRBDSFX-YZBXUTEPSA-N 1 3 349.563 3.432 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001284724331 1380145061 /nfs/dbraw/zinc/14/50/61/1380145061.db2.gz VHYBPIQEFFYPQI-RJCMGOLDSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001284819157 1380245038 /nfs/dbraw/zinc/24/50/38/1380245038.db2.gz UFFUWKYPNFSNGJ-UHFFFAOYSA-N 1 3 345.531 3.229 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291944842 1382162613 /nfs/dbraw/zinc/16/26/13/1382162613.db2.gz FGEWALDSKJCWEG-CMKODMSKSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001291944842 1382162615 /nfs/dbraw/zinc/16/26/15/1382162615.db2.gz FGEWALDSKJCWEG-CMKODMSKSA-N 1 3 343.515 3.012 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001316684492 1384524624 /nfs/dbraw/zinc/52/46/24/1384524624.db2.gz XWKOHLMFLNEZCM-APWZRJJASA-N 1 3 346.519 3.139 10 0 EGAEHO C[C@@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001316878437 1384663366 /nfs/dbraw/zinc/66/33/66/1384663366.db2.gz HRORWWHIBSQNLB-VQIMIIECSA-N 1 3 349.494 3.081 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861497 1384664043 /nfs/dbraw/zinc/66/40/43/1384664043.db2.gz ODFMRGOACYLRKM-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861497 1384664051 /nfs/dbraw/zinc/66/40/51/1384664051.db2.gz ODFMRGOACYLRKM-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001317024318 1384790429 /nfs/dbraw/zinc/79/04/29/1384790429.db2.gz JDMWRDIHFQUOSX-PXNSSMCTSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001317103156 1384866914 /nfs/dbraw/zinc/86/69/14/1384866914.db2.gz DMXSTZIUJQOEQT-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001317103156 1384866920 /nfs/dbraw/zinc/86/69/20/1384866920.db2.gz DMXSTZIUJQOEQT-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001317169336 1384934268 /nfs/dbraw/zinc/93/42/68/1384934268.db2.gz ZIDAAALKCBEDJI-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207708 1384982869 /nfs/dbraw/zinc/98/28/69/1384982869.db2.gz WJWRCZXMMBWCDE-NVXWUHKLSA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207708 1384982873 /nfs/dbraw/zinc/98/28/73/1384982873.db2.gz WJWRCZXMMBWCDE-NVXWUHKLSA-N 1 3 334.508 3.058 10 0 EGAEHO CC(C)CCC[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001317226796 1385006217 /nfs/dbraw/zinc/00/62/17/1385006217.db2.gz OOJXIWQTISGPRL-UHFFFAOYSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCC1 ZINC001317409330 1385120704 /nfs/dbraw/zinc/12/07/04/1385120704.db2.gz UFTBIFCWTNHAAK-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)(C)C)N(C)C ZINC001317434790 1385138146 /nfs/dbraw/zinc/13/81/46/1385138146.db2.gz LDSSRKAKLXEOGU-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CCC(C)(C)C)N(C)C ZINC001317434790 1385138148 /nfs/dbraw/zinc/13/81/48/1385138148.db2.gz LDSSRKAKLXEOGU-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317452015 1385150679 /nfs/dbraw/zinc/15/06/79/1385150679.db2.gz AYYPCUXZPAORIK-RTBURBONSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317452015 1385150681 /nfs/dbraw/zinc/15/06/81/1385150681.db2.gz AYYPCUXZPAORIK-RTBURBONSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317527462 1385249087 /nfs/dbraw/zinc/24/90/87/1385249087.db2.gz DEYZTUKWUYZPTA-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317527462 1385249089 /nfs/dbraw/zinc/24/90/89/1385249089.db2.gz DEYZTUKWUYZPTA-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001317717960 1385419782 /nfs/dbraw/zinc/41/97/82/1385419782.db2.gz KFMWEDXFUYUCCY-WOJBJXKFSA-N 1 3 343.515 3.106 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCCCC2)C1)N(C)C ZINC001317808119 1385504345 /nfs/dbraw/zinc/50/43/45/1385504345.db2.gz CJWYHLHTZXTCPQ-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)N(C)C ZINC001317808119 1385504350 /nfs/dbraw/zinc/50/43/50/1385504350.db2.gz CJWYHLHTZXTCPQ-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001317863882 1385548821 /nfs/dbraw/zinc/54/88/21/1385548821.db2.gz QKIQFRBXZMJPBZ-LJQANCHMSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001317863882 1385548824 /nfs/dbraw/zinc/54/88/24/1385548824.db2.gz QKIQFRBXZMJPBZ-LJQANCHMSA-N 1 3 349.563 3.077 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484375 1385716130 /nfs/dbraw/zinc/71/61/30/1385716130.db2.gz YDCSEBDKBYYRAU-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001318484375 1385716134 /nfs/dbraw/zinc/71/61/34/1385716134.db2.gz YDCSEBDKBYYRAU-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO c1ccc2c(c1)nnn2-c1ccccc1C[NH2+]CCCN1CCCCC1 ZINC001177133426 1385828043 /nfs/dbraw/zinc/82/80/43/1385828043.db2.gz VEOVKWWUAYPUAV-UHFFFAOYSA-N 1 3 349.482 3.386 10 0 EGAEHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990762 1385914254 /nfs/dbraw/zinc/91/42/54/1385914254.db2.gz NITWNVCRLRQDDR-RTBURBONSA-N 1 3 349.494 3.013 10 0 EGAEHO CC[C@@H](F)CNCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001318990762 1385914257 /nfs/dbraw/zinc/91/42/57/1385914257.db2.gz NITWNVCRLRQDDR-RTBURBONSA-N 1 3 349.494 3.013 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001319150781 1385981319 /nfs/dbraw/zinc/98/13/19/1385981319.db2.gz VBNCSAHHWATXFR-FPLPWBNLSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001319150781 1385981322 /nfs/dbraw/zinc/98/13/22/1385981322.db2.gz VBNCSAHHWATXFR-FPLPWBNLSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001698626765 1406268676 /nfs/dbraw/zinc/26/86/76/1406268676.db2.gz OESSFMAKCICOPU-QGZVFWFLSA-N 1 3 349.544 3.140 10 0 EGAEHO C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001319377017 1386090813 /nfs/dbraw/zinc/09/08/13/1386090813.db2.gz FEGIXKUXVHMHKZ-IRXDYDNUSA-N 1 3 341.515 3.018 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001319542199 1386170965 /nfs/dbraw/zinc/17/09/65/1386170965.db2.gz ZGTIUUXRJQUACS-WMZOPIPTSA-N 1 3 325.541 3.122 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001319710103 1386263748 /nfs/dbraw/zinc/26/37/48/1386263748.db2.gz RHQXENHNXGVVOI-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001319868576 1386346943 /nfs/dbraw/zinc/34/69/43/1386346943.db2.gz LPHSCHOMBLQPGW-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1ccccc1CN(C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001322178737 1387089870 /nfs/dbraw/zinc/08/98/70/1387089870.db2.gz ZJPFXTBONWBDNY-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1CN(C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001322178737 1387089873 /nfs/dbraw/zinc/08/98/73/1387089873.db2.gz ZJPFXTBONWBDNY-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001329341950 1389068130 /nfs/dbraw/zinc/06/81/30/1389068130.db2.gz LFLFKHVUUANKSI-DZZUKKPASA-N 1 3 343.943 3.076 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001698729931 1406380134 /nfs/dbraw/zinc/38/01/34/1406380134.db2.gz IDKZIDIWYZCXGS-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001331576941 1389811609 /nfs/dbraw/zinc/81/16/09/1389811609.db2.gz YCRCPFQPLWEWGR-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC001331998406 1389940320 /nfs/dbraw/zinc/94/03/20/1389940320.db2.gz SVPJXJJFTBBADT-WMZOPIPTSA-N 1 3 335.536 3.020 10 0 EGAEHO CN(CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)C1CCC1 ZINC001332806805 1390191601 /nfs/dbraw/zinc/19/16/01/1390191601.db2.gz MPOYBIVPFKNRAH-GOSISDBHSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1CC(C)(C)C1 ZINC001698778093 1406443584 /nfs/dbraw/zinc/44/35/84/1406443584.db2.gz ONIDKXCXRCXTHI-INIZCTEOSA-N 1 3 345.531 3.140 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001698845567 1406546213 /nfs/dbraw/zinc/54/62/13/1406546213.db2.gz LEKJTCLWNXWTPL-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)N1CCCCCC1 ZINC001479328057 1392215565 /nfs/dbraw/zinc/21/55/65/1392215565.db2.gz KWGZOCANOHOZEC-YSIASYRMSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001479580084 1392280398 /nfs/dbraw/zinc/28/03/98/1392280398.db2.gz ZFDPSVBYUORGCJ-QUCCMNQESA-N 1 3 349.563 3.435 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001479685056 1392317805 /nfs/dbraw/zinc/31/78/05/1392317805.db2.gz AXAJUHSUMNMPCW-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480084901 1392574932 /nfs/dbraw/zinc/57/49/32/1392574932.db2.gz PASPMMGYSHDBRD-GOSISDBHSA-N 1 3 339.568 3.181 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480084901 1392574935 /nfs/dbraw/zinc/57/49/35/1392574935.db2.gz PASPMMGYSHDBRD-GOSISDBHSA-N 1 3 339.568 3.181 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266167 1392650042 /nfs/dbraw/zinc/65/00/42/1392650042.db2.gz QEQCAVRLZDYRRT-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266167 1392650044 /nfs/dbraw/zinc/65/00/44/1392650044.db2.gz QEQCAVRLZDYRRT-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO CCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001480742566 1392909076 /nfs/dbraw/zinc/90/90/76/1392909076.db2.gz NPXHCOJIIASNPP-FQEVSTJZSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001480742566 1392909077 /nfs/dbraw/zinc/90/90/77/1392909077.db2.gz NPXHCOJIIASNPP-FQEVSTJZSA-N 1 3 345.531 3.012 10 0 EGAEHO CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001698874815 1406598244 /nfs/dbraw/zinc/59/82/44/1406598244.db2.gz WPEVGBLLIPSZPY-VQIMIIECSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)(C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1)N1CCCCC1 ZINC001480823332 1392961794 /nfs/dbraw/zinc/96/17/94/1392961794.db2.gz HXHHKITVIKKMQB-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1)N1CCCCC1 ZINC001480823332 1392961796 /nfs/dbraw/zinc/96/17/96/1392961796.db2.gz HXHHKITVIKKMQB-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001481433427 1394290067 /nfs/dbraw/zinc/29/00/67/1394290067.db2.gz VDARRYQOQQQLJD-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001481433427 1394290072 /nfs/dbraw/zinc/29/00/72/1394290072.db2.gz VDARRYQOQQQLJD-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001491079420 1394421167 /nfs/dbraw/zinc/42/11/67/1394421167.db2.gz AZWBRFCMYGHBRN-AMBYYYRHSA-N 1 3 335.536 3.066 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001491125128 1394441035 /nfs/dbraw/zinc/44/10/35/1394441035.db2.gz GYIANAHLAVYXDG-IBGZPJMESA-N 1 3 337.552 3.127 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001491125128 1394441038 /nfs/dbraw/zinc/44/10/38/1394441038.db2.gz GYIANAHLAVYXDG-IBGZPJMESA-N 1 3 337.552 3.127 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001491270498 1394499062 /nfs/dbraw/zinc/49/90/62/1394499062.db2.gz CVTKAENBSMLLSJ-VQTJNVASSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816413 1394543300 /nfs/dbraw/zinc/54/33/00/1394543300.db2.gz LPBSRROSTPIWCR-PMACEKPBSA-N 1 3 345.531 3.162 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481838776 1394552991 /nfs/dbraw/zinc/55/29/91/1394552991.db2.gz HAFGGMWDRCPSDY-GOSISDBHSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001482026367 1394684826 /nfs/dbraw/zinc/68/48/26/1394684826.db2.gz JKONXLQYJXNIMV-WGSAOQKQSA-N 1 3 335.536 3.236 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1)N(C)C ZINC001482027102 1394685990 /nfs/dbraw/zinc/68/59/90/1394685990.db2.gz XQDAVKYGCFHWSV-FHWLQOOXSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001482174280 1394787566 /nfs/dbraw/zinc/78/75/66/1394787566.db2.gz XPHSWNDQGNSLCB-HUUCEWRRSA-N 1 3 339.911 3.083 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001482238775 1394834828 /nfs/dbraw/zinc/83/48/28/1394834828.db2.gz WUXPRUYOGGVUQC-CALCHBBNSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CCCCC1 ZINC001482406517 1394969501 /nfs/dbraw/zinc/96/95/01/1394969501.db2.gz QWFODYKCVPWGQZ-IBGZPJMESA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCCC1 ZINC001482406518 1394969545 /nfs/dbraw/zinc/96/95/45/1394969545.db2.gz QWFODYKCVPWGQZ-LJQANCHMSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC001484161680 1395295460 /nfs/dbraw/zinc/29/54/60/1395295460.db2.gz SXWUHPUXBQPDDS-FPOVZHCZSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCC2)C1 ZINC001484161680 1395295463 /nfs/dbraw/zinc/29/54/63/1395295463.db2.gz SXWUHPUXBQPDDS-FPOVZHCZSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001484562189 1395448181 /nfs/dbraw/zinc/44/81/81/1395448181.db2.gz XHZPYSSPEBAPDS-IRXDYDNUSA-N 1 3 343.515 3.095 10 0 EGAEHO CCC1([NH2+]CCCC2CCC2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001484810546 1395546232 /nfs/dbraw/zinc/54/62/32/1395546232.db2.gz AWEHYGNDHYCVOG-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001485040717 1395647346 /nfs/dbraw/zinc/64/73/46/1395647346.db2.gz ZMVAACWZXWSYTN-HMECNJMJSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001485194316 1395699106 /nfs/dbraw/zinc/69/91/06/1395699106.db2.gz OLWMAAXUSSFMIR-HZPDHXFCSA-N 1 3 327.557 3.273 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483441 1395969753 /nfs/dbraw/zinc/96/97/53/1395969753.db2.gz WFZKYOFGHZDLKS-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483441 1395969756 /nfs/dbraw/zinc/96/97/56/1395969756.db2.gz WFZKYOFGHZDLKS-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001486090014 1396176704 /nfs/dbraw/zinc/17/67/04/1396176704.db2.gz FFYBQQRSBRSZOH-LXORQPIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001486235236 1396185921 /nfs/dbraw/zinc/18/59/21/1396185921.db2.gz UXNMNKUSFYMKHA-JSSIJEINSA-N 1 3 337.552 3.146 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699000929 1406811588 /nfs/dbraw/zinc/81/15/88/1406811588.db2.gz GZVQJNLFBVJUOM-AZUAARDMSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699000932 1406811052 /nfs/dbraw/zinc/81/10/52/1406811052.db2.gz GZVQJNLFBVJUOM-UYAOXDASSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699000931 1406811484 /nfs/dbraw/zinc/81/14/84/1406811484.db2.gz GZVQJNLFBVJUOM-QUCCMNQESA-N 1 3 345.531 3.006 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001493830755 1396343491 /nfs/dbraw/zinc/34/34/91/1396343491.db2.gz PISPNUSTCMMWSP-JTHGQSKGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001494057148 1396348310 /nfs/dbraw/zinc/34/83/10/1396348310.db2.gz SENZYYVTELMRQQ-KJBZUCPPSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001494057148 1396348315 /nfs/dbraw/zinc/34/83/15/1396348315.db2.gz SENZYYVTELMRQQ-KJBZUCPPSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494081740 1396356456 /nfs/dbraw/zinc/35/64/56/1396356456.db2.gz BZMLKLSSZYPCOO-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494081740 1396356462 /nfs/dbraw/zinc/35/64/62/1396356462.db2.gz BZMLKLSSZYPCOO-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001496359891 1396666431 /nfs/dbraw/zinc/66/64/31/1396666431.db2.gz RYYRKZUHQIYGJZ-ROUUACIJSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001498044427 1396915509 /nfs/dbraw/zinc/91/55/09/1396915509.db2.gz WICXEHATLVXQQO-KRWDZBQOSA-N 1 3 335.536 3.236 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001689891199 1404188254 /nfs/dbraw/zinc/18/82/54/1404188254.db2.gz SQNBVYYWPLNFNB-CWUFLNSKSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001689891199 1404188261 /nfs/dbraw/zinc/18/82/61/1404188261.db2.gz SQNBVYYWPLNFNB-CWUFLNSKSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)CC1CCCCC1 ZINC001689970581 1404235264 /nfs/dbraw/zinc/23/52/64/1404235264.db2.gz UTILXMKZDPIVGK-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)CC1CCCCC1 ZINC001689970581 1404235272 /nfs/dbraw/zinc/23/52/72/1404235272.db2.gz UTILXMKZDPIVGK-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001690381325 1404513162 /nfs/dbraw/zinc/51/31/62/1404513162.db2.gz LYNCNZSRVHEYRS-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001690381325 1404513168 /nfs/dbraw/zinc/51/31/68/1404513168.db2.gz LYNCNZSRVHEYRS-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001690628385 1404663307 /nfs/dbraw/zinc/66/33/07/1404663307.db2.gz LUOOJAQCFPSLLY-YLJYHZDGSA-N 1 3 345.531 3.106 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062631 1404987980 /nfs/dbraw/zinc/98/79/80/1404987980.db2.gz UNJDIHHMHXOXBE-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062631 1404987984 /nfs/dbraw/zinc/98/79/84/1404987984.db2.gz UNJDIHHMHXOXBE-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001691666591 1405400144 /nfs/dbraw/zinc/40/01/44/1405400144.db2.gz ADMMVEDFVYAZMU-KTUYXQPPSA-N 1 3 337.552 3.146 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697184 1405429482 /nfs/dbraw/zinc/42/94/82/1405429482.db2.gz UGNXSPAMRCXLOE-ZRAQOITDSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697184 1405429485 /nfs/dbraw/zinc/42/94/85/1405429485.db2.gz UGNXSPAMRCXLOE-ZRAQOITDSA-N 1 3 335.536 3.042 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001691796717 1405508271 /nfs/dbraw/zinc/50/82/71/1405508271.db2.gz MQDXNOZLANLOLM-XLIONFOSSA-N 1 3 349.494 3.056 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999653 1405716520 /nfs/dbraw/zinc/71/65/20/1405716520.db2.gz VIADXIJVCPLAAY-MOPGFXCFSA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999653 1405716526 /nfs/dbraw/zinc/71/65/26/1405716526.db2.gz VIADXIJVCPLAAY-MOPGFXCFSA-N 1 3 345.531 3.177 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001692336148 1405956530 /nfs/dbraw/zinc/95/65/30/1405956530.db2.gz HKDZZKKQQKUUTO-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001732520418 1428638933 /nfs/dbraw/zinc/63/89/33/1428638933.db2.gz YSKSWURHEBEWPR-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001699160580 1412544251 /nfs/dbraw/zinc/54/42/51/1412544251.db2.gz SCYDSDGTBCAZCN-MRXNPFEDSA-N 1 3 345.531 3.282 10 0 EGAEHO C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001699375067 1412682433 /nfs/dbraw/zinc/68/24/33/1412682433.db2.gz UOTIVAZJHRKAOC-MRXNPFEDSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)ccc2ccccc21)N(C)C ZINC001699385085 1412695043 /nfs/dbraw/zinc/69/50/43/1412695043.db2.gz BBUQRHKQEJKYJP-OXQOHEQNSA-N 1 3 341.499 3.083 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCC1 ZINC001699463406 1412822288 /nfs/dbraw/zinc/82/22/88/1412822288.db2.gz HGAHQIRAAPGCDP-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC1CCC1 ZINC001699463406 1412822293 /nfs/dbraw/zinc/82/22/93/1412822293.db2.gz HGAHQIRAAPGCDP-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699513885 1412900357 /nfs/dbraw/zinc/90/03/57/1412900357.db2.gz YEDJFMSCJDMBKH-ZWKOTPCHSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672652 1413063054 /nfs/dbraw/zinc/06/30/54/1413063054.db2.gz CBCLFJJOUUCEND-PKOBYXMFSA-N 1 3 346.519 3.236 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672652 1413063058 /nfs/dbraw/zinc/06/30/58/1413063058.db2.gz CBCLFJJOUUCEND-PKOBYXMFSA-N 1 3 346.519 3.236 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001699767384 1413172377 /nfs/dbraw/zinc/17/23/77/1413172377.db2.gz QSFPCCOSRHLFCR-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699937832 1413381288 /nfs/dbraw/zinc/38/12/88/1413381288.db2.gz VDEFNFKOIWRJNG-HNGSOEQISA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[N@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203300 1413647427 /nfs/dbraw/zinc/64/74/27/1413647427.db2.gz KGTJZDBVFWLVGM-OALUTQOASA-N 1 3 337.552 3.079 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203300 1413647433 /nfs/dbraw/zinc/64/74/33/1413647433.db2.gz KGTJZDBVFWLVGM-OALUTQOASA-N 1 3 337.552 3.079 10 0 EGAEHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1=CCCCC1 ZINC001700328155 1413799569 /nfs/dbraw/zinc/79/95/69/1413799569.db2.gz URSPLVDFZQGVRC-KRWDZBQOSA-N 1 3 343.515 3.347 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CCCC(C)(C)C)C1 ZINC001700445368 1414021043 /nfs/dbraw/zinc/02/10/43/1414021043.db2.gz MLCAOQNRZAOWHK-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688333 1414341159 /nfs/dbraw/zinc/34/11/59/1414341159.db2.gz DLACNKSADAVWGD-PKOBYXMFSA-N 1 3 335.536 3.236 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(CCC[NH2+]C(C)C)Cc1ccccc1 ZINC001700702175 1414360833 /nfs/dbraw/zinc/36/08/33/1414360833.db2.gz MOCQSUVYMXNMCJ-HXUWFJFHSA-N 1 3 345.531 3.278 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001700769864 1414447775 /nfs/dbraw/zinc/44/77/75/1414447775.db2.gz FMHXXWCEXPWBQA-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@H]([NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001701030459 1414692487 /nfs/dbraw/zinc/69/24/87/1414692487.db2.gz UULHJBVRGSYFAY-ACBHZAAOSA-N 1 3 349.494 3.196 10 0 EGAEHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001701030461 1414692890 /nfs/dbraw/zinc/69/28/90/1414692890.db2.gz UULHJBVRGSYFAY-CTWPCTMYSA-N 1 3 349.494 3.196 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001701062411 1414718895 /nfs/dbraw/zinc/71/88/95/1414718895.db2.gz AQVRGKJMRPHCDQ-ICSRJNTNSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001701062411 1414718900 /nfs/dbraw/zinc/71/89/00/1414718900.db2.gz AQVRGKJMRPHCDQ-ICSRJNTNSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001701062412 1414719402 /nfs/dbraw/zinc/71/94/02/1414719402.db2.gz AQVRGKJMRPHCDQ-QUCCMNQESA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001701062412 1414719406 /nfs/dbraw/zinc/71/94/06/1414719406.db2.gz AQVRGKJMRPHCDQ-QUCCMNQESA-N 1 3 349.563 3.291 10 0 EGAEHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001732597479 1428838429 /nfs/dbraw/zinc/83/84/29/1428838429.db2.gz NECDHRXGPDMHIX-RTBURBONSA-N 1 3 345.531 3.066 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941872 1429065952 /nfs/dbraw/zinc/06/59/52/1429065952.db2.gz HCBZELMPCAJKLG-GHOSXJJBSA-N 1 3 349.563 3.339 10 0 EGAEHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001707049216 1417161528 /nfs/dbraw/zinc/16/15/28/1417161528.db2.gz XGTWRAFOHKFSEP-LJQANCHMSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001707074131 1417185554 /nfs/dbraw/zinc/18/55/54/1417185554.db2.gz MGEASJJJCRHQGL-HDICACEKSA-N 1 3 337.552 3.027 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001707424892 1417331659 /nfs/dbraw/zinc/33/16/59/1417331659.db2.gz ZGASKGNINMZDGM-AZUAARDMSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001707424892 1417331665 /nfs/dbraw/zinc/33/16/65/1417331665.db2.gz ZGASKGNINMZDGM-AZUAARDMSA-N 1 3 345.531 3.369 10 0 EGAEHO C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001712999603 1417552452 /nfs/dbraw/zinc/55/24/52/1417552452.db2.gz NRSZXJQSJFWSJC-QFBILLFUSA-N 1 3 346.519 3.282 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697610 1418452651 /nfs/dbraw/zinc/45/26/51/1418452651.db2.gz ICPIDUUTQPDOEM-PXNSSMCTSA-N 1 3 345.531 3.307 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001733144412 1429261129 /nfs/dbraw/zinc/26/11/29/1429261129.db2.gz FFTCZUHFGRKTQY-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO CC/C=C/CCN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804929 1418617772 /nfs/dbraw/zinc/61/77/72/1418617772.db2.gz UENRHNCUKVTCMU-OBNUAKFSSA-N 1 3 335.536 3.044 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713969091 1418748128 /nfs/dbraw/zinc/74/81/28/1418748128.db2.gz XSQVELHUSRVUHP-GUDVDZBRSA-N 1 3 335.536 3.068 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)CC(C)(C)C ZINC001714007998 1418787107 /nfs/dbraw/zinc/78/71/07/1418787107.db2.gz RQVFSYXGMNZBFA-HDICACEKSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001714106311 1418905436 /nfs/dbraw/zinc/90/54/36/1418905436.db2.gz JFKAHZHARNPXGG-IAGOWNOFSA-N 1 3 325.541 3.170 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001714155191 1418964455 /nfs/dbraw/zinc/96/44/55/1418964455.db2.gz FBIWRASFOXHEOJ-AZUAARDMSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001714155191 1418964459 /nfs/dbraw/zinc/96/44/59/1418964459.db2.gz FBIWRASFOXHEOJ-AZUAARDMSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433245 1419165963 /nfs/dbraw/zinc/16/59/63/1419165963.db2.gz BBHFKOGUKMGXPH-ZWKOTPCHSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001714633203 1419404435 /nfs/dbraw/zinc/40/44/35/1419404435.db2.gz LOWRHFHCYHEXJP-KRWDZBQOSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001714633203 1419404437 /nfs/dbraw/zinc/40/44/37/1419404437.db2.gz LOWRHFHCYHEXJP-KRWDZBQOSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001715062650 1419801480 /nfs/dbraw/zinc/80/14/80/1419801480.db2.gz HTSUYARINGGOOT-RTBURBONSA-N 1 3 347.547 3.309 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071075 1419806146 /nfs/dbraw/zinc/80/61/46/1419806146.db2.gz BOZIBQVJJIVNAW-LPHOPBHVSA-N 1 3 349.494 3.075 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1 ZINC001715199420 1419931363 /nfs/dbraw/zinc/93/13/63/1419931363.db2.gz INNNWZABXBMSHQ-UHFFFAOYSA-N 1 3 345.531 3.169 10 0 EGAEHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1)CC(C)(C)C ZINC001715210324 1419943248 /nfs/dbraw/zinc/94/32/48/1419943248.db2.gz MPESOWNSMMQPSM-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCCC1CCCC1 ZINC001715401365 1420100050 /nfs/dbraw/zinc/10/00/50/1420100050.db2.gz MWCIOZPJZDNVFW-LPHOPBHVSA-N 1 3 346.519 3.139 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441184 1420126321 /nfs/dbraw/zinc/12/63/21/1420126321.db2.gz YAVKWOVFVQDZTR-UYAOXDASSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)c1ccc(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001715532429 1420224087 /nfs/dbraw/zinc/22/40/87/1420224087.db2.gz XHCGIQMDFGEOOY-UHFFFAOYSA-N 1 3 345.531 3.042 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001715539925 1420237987 /nfs/dbraw/zinc/23/79/87/1420237987.db2.gz RAHHREUBTYDYBR-HDICACEKSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001715539925 1420237988 /nfs/dbraw/zinc/23/79/88/1420237988.db2.gz RAHHREUBTYDYBR-HDICACEKSA-N 1 3 345.531 3.012 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001715561779 1420253723 /nfs/dbraw/zinc/25/37/23/1420253723.db2.gz SOWQOWIZPRMXQB-WLMAVBAVSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001716076477 1420530467 /nfs/dbraw/zinc/53/04/67/1420530467.db2.gz ZJKFWRLKQSSQIM-RBUKOAKNSA-N 1 3 337.552 3.172 10 0 EGAEHO CCc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCCN2CC)cc1 ZINC001716587379 1420769790 /nfs/dbraw/zinc/76/97/90/1420769790.db2.gz ZHMJZOHFGAVBLB-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001716707687 1420861805 /nfs/dbraw/zinc/86/18/05/1420861805.db2.gz ZJCDHRMPGQFCQB-VBZNHOPUSA-N 1 3 335.536 3.019 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975956 1421059326 /nfs/dbraw/zinc/05/93/26/1421059326.db2.gz VIBOUUZKQIHURD-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975957 1421059338 /nfs/dbraw/zinc/05/93/38/1421059338.db2.gz VIBOUUZKQIHURD-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC1([NH2+]Cc2ccsc2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001717237870 1421205914 /nfs/dbraw/zinc/20/59/14/1421205914.db2.gz APDNJEOTFWTCKQ-UHFFFAOYSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001717375998 1421318144 /nfs/dbraw/zinc/31/81/44/1421318144.db2.gz IFNSAMQKGIAXNO-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001717564307 1421499267 /nfs/dbraw/zinc/49/92/67/1421499267.db2.gz FJCXTPABPKMYIX-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717641100 1421546306 /nfs/dbraw/zinc/54/63/06/1421546306.db2.gz WHTAKWISWSWPSW-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@H](CCC[NH2+][C@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001717670295 1421559807 /nfs/dbraw/zinc/55/98/07/1421559807.db2.gz CPHSXZNYLVGTHF-HZPDHXFCSA-N 1 3 349.494 3.246 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696517 1421570632 /nfs/dbraw/zinc/57/06/32/1421570632.db2.gz VLJPVAAQIFMUMI-QUCCMNQESA-N 1 3 345.531 3.244 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730261 1421596545 /nfs/dbraw/zinc/59/65/45/1421596545.db2.gz SVGQDGGTNCQFLB-VQTJNVASSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)c1ccc(F)cc1 ZINC001717758656 1421621379 /nfs/dbraw/zinc/62/13/79/1421621379.db2.gz ZHDMULWYJLRRHM-MAUKXSAKSA-N 1 3 337.483 3.054 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC001717856273 1421668808 /nfs/dbraw/zinc/66/88/08/1421668808.db2.gz QTPVXIMQBGMLME-ROUUACIJSA-N 1 3 335.536 3.164 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC001717856273 1421668809 /nfs/dbraw/zinc/66/88/09/1421668809.db2.gz QTPVXIMQBGMLME-ROUUACIJSA-N 1 3 335.536 3.164 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873880 1421681380 /nfs/dbraw/zinc/68/13/80/1421681380.db2.gz WTCJFCMKCJWGAL-OALUTQOASA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895004 1421692810 /nfs/dbraw/zinc/69/28/10/1421692810.db2.gz BTGRXWINKGSUDF-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001717901004 1421697301 /nfs/dbraw/zinc/69/73/01/1421697301.db2.gz UXNMNKUSFYMKHA-FWGLOVMOSA-N 1 3 337.552 3.146 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001717973831 1421745707 /nfs/dbraw/zinc/74/57/07/1421745707.db2.gz MMNWKBUPUZMPCP-IBGZPJMESA-N 1 3 347.547 3.264 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001718004481 1421771101 /nfs/dbraw/zinc/77/11/01/1421771101.db2.gz SOPDWRPHXZXXNB-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001733327868 1429513202 /nfs/dbraw/zinc/51/32/02/1429513202.db2.gz MGHRHDOXDOIJGZ-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733392359 1429582834 /nfs/dbraw/zinc/58/28/34/1429582834.db2.gz CMLLDPJDOQEGBS-POBZOTIWSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733392359 1429582838 /nfs/dbraw/zinc/58/28/38/1429582838.db2.gz CMLLDPJDOQEGBS-POBZOTIWSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)N1CCCCC1 ZINC001723595306 1424481171 /nfs/dbraw/zinc/48/11/71/1424481171.db2.gz OHPNIFMMERNYJY-LJQANCHMSA-N 1 3 347.547 3.236 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001724307330 1424790495 /nfs/dbraw/zinc/79/04/95/1424790495.db2.gz ZJRNCOCAVZBLTL-SFHVURJKSA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001724753105 1425123077 /nfs/dbraw/zinc/12/30/77/1425123077.db2.gz XWKCPIPUBXYEQC-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001724839983 1425188834 /nfs/dbraw/zinc/18/88/34/1425188834.db2.gz VPSSODOFAAWNLY-WLMAVBAVSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001724839983 1425188838 /nfs/dbraw/zinc/18/88/38/1425188838.db2.gz VPSSODOFAAWNLY-WLMAVBAVSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001724859422 1425241530 /nfs/dbraw/zinc/24/15/30/1425241530.db2.gz DWBWDOQJKHLBRI-INIZCTEOSA-N 1 3 337.483 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001724859422 1425241536 /nfs/dbraw/zinc/24/15/36/1425241536.db2.gz DWBWDOQJKHLBRI-INIZCTEOSA-N 1 3 337.483 3.007 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)N(C)C ZINC001724966660 1425359295 /nfs/dbraw/zinc/35/92/95/1425359295.db2.gz PQHNUVDJWBNGNS-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C)N(C)C ZINC001724966660 1425359296 /nfs/dbraw/zinc/35/92/96/1425359296.db2.gz PQHNUVDJWBNGNS-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058391 1425497900 /nfs/dbraw/zinc/49/79/00/1425497900.db2.gz KKGAFVNBSTWPCU-FXAWDEMLSA-N 1 3 345.531 3.331 10 0 EGAEHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058391 1425497904 /nfs/dbraw/zinc/49/79/04/1425497904.db2.gz KKGAFVNBSTWPCU-FXAWDEMLSA-N 1 3 345.531 3.331 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725452501 1426118136 /nfs/dbraw/zinc/11/81/36/1426118136.db2.gz GYVITCMESDRJSJ-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001725622654 1426288321 /nfs/dbraw/zinc/28/83/21/1426288321.db2.gz HVYUAEIKHNETNI-QZTJIDSGSA-N 1 3 337.552 3.316 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001725622922 1426288845 /nfs/dbraw/zinc/28/88/45/1426288845.db2.gz IGDWRQOHCCAMBF-IEBWSBKVSA-N 1 3 349.544 3.093 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001725737677 1426412365 /nfs/dbraw/zinc/41/23/65/1426412365.db2.gz DWMJVRAIVDXRGA-QZTJIDSGSA-N 1 3 339.568 3.416 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001725743495 1426420243 /nfs/dbraw/zinc/42/02/43/1426420243.db2.gz ZDMSTVUASCJWTK-RTBURBONSA-N 1 3 345.531 3.182 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C)c1 ZINC001725759835 1426439484 /nfs/dbraw/zinc/43/94/84/1426439484.db2.gz XUDZRUIPLZMLBH-IBGZPJMESA-N 1 3 347.547 3.210 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cs1 ZINC001731248024 1427201587 /nfs/dbraw/zinc/20/15/87/1427201587.db2.gz IPRYMYRZOKWFSY-ZWKOTPCHSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cs1 ZINC001731248024 1427201589 /nfs/dbraw/zinc/20/15/89/1427201589.db2.gz IPRYMYRZOKWFSY-ZWKOTPCHSA-N 1 3 349.544 3.012 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731318047 1427259069 /nfs/dbraw/zinc/25/90/69/1427259069.db2.gz XJKZRQMGCVIDER-IRXDYDNUSA-N 1 3 349.494 3.057 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731318047 1427259072 /nfs/dbraw/zinc/25/90/72/1427259072.db2.gz XJKZRQMGCVIDER-IRXDYDNUSA-N 1 3 349.494 3.057 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001731486680 1427461385 /nfs/dbraw/zinc/46/13/85/1427461385.db2.gz UGFFDXJVCNRGHT-IYBDPMFKSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001731506586 1427493619 /nfs/dbraw/zinc/49/36/19/1427493619.db2.gz FMYQVVDBZIHVLS-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001731506586 1427493625 /nfs/dbraw/zinc/49/36/25/1427493625.db2.gz FMYQVVDBZIHVLS-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001731528565 1427517926 /nfs/dbraw/zinc/51/79/26/1427517926.db2.gz BPDISVJXJWKNNO-AZUAARDMSA-N 1 3 345.531 3.306 10 0 EGAEHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001731565434 1427604398 /nfs/dbraw/zinc/60/43/98/1427604398.db2.gz KXQYEPGIUQQKAV-MKQYOJRYSA-N 1 3 347.547 3.042 10 0 EGAEHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001731565434 1427604400 /nfs/dbraw/zinc/60/44/00/1427604400.db2.gz KXQYEPGIUQQKAV-MKQYOJRYSA-N 1 3 347.547 3.042 10 0 EGAEHO CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731710948 1427768321 /nfs/dbraw/zinc/76/83/21/1427768321.db2.gz MHHGMHNRXUGVLR-GOSISDBHSA-N 1 3 339.568 3.467 10 0 EGAEHO CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731710948 1427768334 /nfs/dbraw/zinc/76/83/34/1427768334.db2.gz MHHGMHNRXUGVLR-GOSISDBHSA-N 1 3 339.568 3.467 10 0 EGAEHO CCC1([NH2+]CCCC(C)C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733809882 1430086125 /nfs/dbraw/zinc/08/61/25/1430086125.db2.gz ZLZJRGPGIRABST-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001734025385 1437813662 /nfs/dbraw/zinc/81/36/62/1437813662.db2.gz OKAPGJHEXGFSPU-CALCHBBNSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001734195522 1437936676 /nfs/dbraw/zinc/93/66/76/1437936676.db2.gz XXRGXZANDQRENB-SLFFLAALSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001734195522 1437936677 /nfs/dbraw/zinc/93/66/77/1437936677.db2.gz XXRGXZANDQRENB-SLFFLAALSA-N 1 3 349.563 3.125 10 0 EGAEHO c1cncc(CN2CCC([C@H]3CC[N@H+](Cc4ccncc4)C3)CC2)c1 ZINC000012314152 211341807 /nfs/dbraw/zinc/34/18/07/211341807.db2.gz SPPDETZIPIOICJ-NRFANRHFSA-N 1 3 336.483 3.211 10 0 EGAEHO c1cncc(CN2CCC([C@H]3CC[N@@H+](Cc4ccncc4)C3)CC2)c1 ZINC000012314152 211341810 /nfs/dbraw/zinc/34/18/10/211341810.db2.gz SPPDETZIPIOICJ-NRFANRHFSA-N 1 3 336.483 3.211 10 0 EGAEHO CC[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000091739740 218056288 /nfs/dbraw/zinc/05/62/88/218056288.db2.gz UYQXTURJJIBELC-RDTXWAMCSA-N 1 3 331.435 3.343 10 0 EGAEHO CC[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000091739740 218056291 /nfs/dbraw/zinc/05/62/91/218056291.db2.gz UYQXTURJJIBELC-RDTXWAMCSA-N 1 3 331.435 3.343 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268878489 252326808 /nfs/dbraw/zinc/32/68/08/252326808.db2.gz WZWKNYLINOADDZ-HMXCVIKNSA-N 1 3 329.532 3.219 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1)C(C)C ZINC000247378808 285098497 /nfs/dbraw/zinc/09/84/97/285098497.db2.gz PQVIUWVEUMIYMS-YLJYHZDGSA-N 1 3 345.531 3.375 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1)C(C)C ZINC000247378808 285098498 /nfs/dbraw/zinc/09/84/98/285098498.db2.gz PQVIUWVEUMIYMS-YLJYHZDGSA-N 1 3 345.531 3.375 10 0 EGAEHO CN(CCc1ccncc1)[C@@H]1CCC[N@H+](CCc2ccncc2)CC1 ZINC000351709818 144294068 /nfs/dbraw/zinc/29/40/68/144294068.db2.gz KXAMUDGWCWISAC-OAQYLSRUSA-N 1 3 338.499 3.048 10 0 EGAEHO CN(CCc1ccncc1)[C@@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000351709818 144294069 /nfs/dbraw/zinc/29/40/69/144294069.db2.gz KXAMUDGWCWISAC-OAQYLSRUSA-N 1 3 338.499 3.048 10 0 EGAEHO CN1C[C@@H]2C[N@@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C[C@@H]2C1 ZINC000193631972 153298286 /nfs/dbraw/zinc/29/82/86/153298286.db2.gz GJENCPJDXVFBRH-IYBDPMFKSA-N 1 3 331.460 3.027 10 0 EGAEHO CN1C[C@@H]2C[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C[C@@H]2C1 ZINC000193631972 153298289 /nfs/dbraw/zinc/29/82/89/153298289.db2.gz GJENCPJDXVFBRH-IYBDPMFKSA-N 1 3 331.460 3.027 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000310275180 154142891 /nfs/dbraw/zinc/14/28/91/154142891.db2.gz UQBLLUJBOGLQTB-HSALFYBXSA-N 1 3 328.500 3.303 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000372766584 157378671 /nfs/dbraw/zinc/37/86/71/157378671.db2.gz LJZHKZAEFGCWAX-HLAWJBBLSA-N 1 3 346.515 3.312 10 0 EGAEHO COc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)C2CC2)cc1 ZINC000245942550 162896861 /nfs/dbraw/zinc/89/68/61/162896861.db2.gz AZXZOJKDOLYRRX-XLIONFOSSA-N 1 3 340.471 3.138 10 0 EGAEHO OCCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248410801 163001647 /nfs/dbraw/zinc/00/16/47/163001647.db2.gz YIPJPIDFGNKIBG-NJDAHSKKSA-N 1 3 330.516 3.429 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338533883 163263273 /nfs/dbraw/zinc/26/32/73/163263273.db2.gz BLNFNEJBNDEHCT-QZTJIDSGSA-N 1 3 343.515 3.275 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367618212 168250653 /nfs/dbraw/zinc/25/06/53/168250653.db2.gz SERRPVOVJPRXRT-XUVXKRRUSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367618212 168250654 /nfs/dbraw/zinc/25/06/54/168250654.db2.gz SERRPVOVJPRXRT-XUVXKRRUSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367618212 168250656 /nfs/dbraw/zinc/25/06/56/168250656.db2.gz SERRPVOVJPRXRT-XUVXKRRUSA-N 1 3 332.488 3.064 10 0 EGAEHO CN1CCC(C[NH2+][C@H]2CCc3cc(F)ccc32)(N2CCCCC2)CC1 ZINC000124614490 307549813 /nfs/dbraw/zinc/54/98/13/307549813.db2.gz MOFRKIWIWAJJFG-FQEVSTJZSA-N 1 3 345.506 3.353 10 0 EGAEHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC000414697315 309095896 /nfs/dbraw/zinc/09/58/96/309095896.db2.gz GUMRXAZLTZPBRU-LJQANCHMSA-N 1 3 343.515 3.019 10 0 EGAEHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC000414697315 309095897 /nfs/dbraw/zinc/09/58/97/309095897.db2.gz GUMRXAZLTZPBRU-LJQANCHMSA-N 1 3 343.515 3.019 10 0 EGAEHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414762987 309099200 /nfs/dbraw/zinc/09/92/00/309099200.db2.gz WVXTXFTWSWODQM-SLYNCCJLSA-N 1 3 344.499 3.015 10 0 EGAEHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414762988 309099313 /nfs/dbraw/zinc/09/93/13/309099313.db2.gz WVXTXFTWSWODQM-YFVAEKQCSA-N 1 3 344.499 3.015 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415057077 309117160 /nfs/dbraw/zinc/11/71/60/309117160.db2.gz TVJBWXVGAXHEQX-WDYCEAGBSA-N 1 3 334.479 3.477 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415085355 309119292 /nfs/dbraw/zinc/11/92/92/309119292.db2.gz PZEKCNQIMFDSCK-MJSCVDMRSA-N 1 3 335.442 3.054 10 0 EGAEHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119528 309121545 /nfs/dbraw/zinc/12/15/45/309121545.db2.gz FPKJAJBNVCECCZ-PZJWPPBQSA-N 1 3 344.499 3.194 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000415930755 309149405 /nfs/dbraw/zinc/14/94/05/309149405.db2.gz KUUFUNULDOBVSW-KRWDZBQOSA-N 1 3 332.492 3.038 10 0 EGAEHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416022378 309154991 /nfs/dbraw/zinc/15/49/91/309154991.db2.gz YYLKUPPDSHMDBC-GUYCJALGSA-N 1 3 342.443 3.134 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCCC2(O)CCC2)CC1 ZINC000421380337 309321720 /nfs/dbraw/zinc/32/17/20/309321720.db2.gz VIXHMSVNZWWTHD-UHFFFAOYSA-N 1 3 345.531 3.003 10 0 EGAEHO Cc1ccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750895 309366431 /nfs/dbraw/zinc/36/64/31/309366431.db2.gz DVJUNEQZIZXOMT-FPOVZHCZSA-N 1 3 338.451 3.219 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422752642 309366711 /nfs/dbraw/zinc/36/67/11/309366711.db2.gz CUHJSRNICNRPIR-NASSWSRMSA-N 1 3 343.515 3.174 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000422776879 309367717 /nfs/dbraw/zinc/36/77/17/309367717.db2.gz FBVLOZMJCBMUDO-NCYKPQTJSA-N 1 3 329.532 3.498 10 0 EGAEHO Fc1ccc(F)c(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816759 309369921 /nfs/dbraw/zinc/36/99/21/309369921.db2.gz BGXIZARGJZDUCN-ICSRJNTNSA-N 1 3 344.405 3.353 10 0 EGAEHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(OCCN(C)C)cc1 ZINC000422893886 309374711 /nfs/dbraw/zinc/37/47/11/309374711.db2.gz BEZWHGYCCNJAQZ-HKUYNNGSSA-N 1 3 333.520 3.027 10 0 EGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903968 309375485 /nfs/dbraw/zinc/37/54/85/309375485.db2.gz GEJDFMRAQUBXNA-DOXZYTNZSA-N 1 3 337.458 3.036 10 0 EGAEHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903968 309375486 /nfs/dbraw/zinc/37/54/86/309375486.db2.gz GEJDFMRAQUBXNA-DOXZYTNZSA-N 1 3 337.458 3.036 10 0 EGAEHO COc1ccc(COCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422985121 309379473 /nfs/dbraw/zinc/37/94/73/309379473.db2.gz CEVAAQOCLINHGG-XUVXKRRUSA-N 1 3 332.488 3.112 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995719 309380069 /nfs/dbraw/zinc/38/00/69/309380069.db2.gz YWAUFWGZMQFTCO-USXIJHARSA-N 1 3 344.421 3.106 10 0 EGAEHO CCN1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017860 309381112 /nfs/dbraw/zinc/38/11/12/309381112.db2.gz PREJNIUATMEJDH-LZDSYCOUSA-N 1 3 327.875 3.330 10 0 EGAEHO Clc1cccc2c1CCN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423053921 309383397 /nfs/dbraw/zinc/38/33/97/309383397.db2.gz BGMPALPFKUSCRY-RLLQIKCJSA-N 1 3 347.934 3.208 10 0 EGAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069313 309384338 /nfs/dbraw/zinc/38/43/38/309384338.db2.gz DQQULAQYQQQHRU-PVAVHDDUSA-N 1 3 340.458 3.016 10 0 EGAEHO COCCCOc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423098701 309385975 /nfs/dbraw/zinc/38/59/75/309385975.db2.gz DIWKTZSYFISEAH-HNNXBMFYSA-N 1 3 343.471 3.115 10 0 EGAEHO COc1cc2c(cc1F)CC[C@@H]2N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423109562 309386500 /nfs/dbraw/zinc/38/65/00/309386500.db2.gz HRSHFIIIDIVXDU-XIKOKIGWSA-N 1 3 329.419 3.335 10 0 EGAEHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCCC[NH3+])nc1 ZINC000423196433 309390087 /nfs/dbraw/zinc/39/00/87/309390087.db2.gz VIGOBGJQFGPBOF-LJQANCHMSA-N 1 3 331.891 3.390 10 0 EGAEHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCCN)nc1 ZINC000423196433 309390088 /nfs/dbraw/zinc/39/00/88/309390088.db2.gz VIGOBGJQFGPBOF-LJQANCHMSA-N 1 3 331.891 3.390 10 0 EGAEHO Fc1ccc2c(c1Br)CC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423358120 309396797 /nfs/dbraw/zinc/39/67/97/309396797.db2.gz TVBOQOMSUQNPRR-AWEZNQCLSA-N 1 3 325.225 3.085 10 0 EGAEHO CC1(C)CCCN[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423779870 309412327 /nfs/dbraw/zinc/41/23/27/309412327.db2.gz VXNKNLLQOSFYGN-SFHVURJKSA-N 1 3 329.488 3.042 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cnc(-c3ccncc3)s2)CC1 ZINC000440340587 309848469 /nfs/dbraw/zinc/84/84/69/309848469.db2.gz OFYKXACYSWNUHF-UHFFFAOYSA-N 1 3 330.501 3.417 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC(C)CC2)CC1 ZINC000449081891 310035553 /nfs/dbraw/zinc/03/55/53/310035553.db2.gz IVURDBRQUNAVBC-HXUWFJFHSA-N 1 3 343.559 3.404 10 0 EGAEHO Cc1nn(C)c(C)c1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449117328 310038384 /nfs/dbraw/zinc/03/83/84/310038384.db2.gz OHTNFRWMSUGZIR-INIZCTEOSA-N 1 3 340.515 3.222 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H](O)C2CCOCC2)CC1 ZINC000449158296 310041086 /nfs/dbraw/zinc/04/10/86/310041086.db2.gz YHESVBYVKFWMLH-SFHVURJKSA-N 1 3 340.552 3.043 10 0 EGAEHO CNC(=O)[C@H]1CCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212065 310044890 /nfs/dbraw/zinc/04/48/90/310044890.db2.gz IJAFNSPWSIYDFJ-DLBZAZTESA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)C(=O)NCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449214645 310045170 /nfs/dbraw/zinc/04/51/70/310045170.db2.gz LWCPTJHRARVNQS-UHFFFAOYSA-N 1 3 339.568 3.418 10 0 EGAEHO CCOC(=O)[C@H](C)[C@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449242195 310047083 /nfs/dbraw/zinc/04/70/83/310047083.db2.gz WMSOTGZUUCACOC-KSZLIROESA-N 1 3 346.515 3.259 10 0 EGAEHO CC(C)Oc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530242465 313504281 /nfs/dbraw/zinc/50/42/81/313504281.db2.gz STXOOZMMYQVCQG-FQEVSTJZSA-N 1 3 332.488 3.064 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064488 314022396 /nfs/dbraw/zinc/02/23/96/314022396.db2.gz VINNNWPTFJGDJN-ZIAGYGMSSA-N 1 3 327.875 3.156 10 0 EGAEHO Cc1cc([C@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)ccc1F ZINC000539199815 314300899 /nfs/dbraw/zinc/30/08/99/314300899.db2.gz LZSFREULEOQXHJ-HXUWFJFHSA-N 1 3 333.495 3.202 10 0 EGAEHO CN1CCCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551738492 315166180 /nfs/dbraw/zinc/16/61/80/315166180.db2.gz JMDSZPHWXOEOPD-MRXNPFEDSA-N 1 3 337.458 3.351 10 0 EGAEHO CN1CCCC[C@@H]1CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551738492 315166184 /nfs/dbraw/zinc/16/61/84/315166184.db2.gz JMDSZPHWXOEOPD-MRXNPFEDSA-N 1 3 337.458 3.351 10 0 EGAEHO c1ccc2c(c1)O[C@@H](C[NH2+]C1CCN(c3ccncc3)CC1)CS2 ZINC000563157344 315966031 /nfs/dbraw/zinc/96/60/31/315966031.db2.gz BDRZYCDKIUBYAC-KRWDZBQOSA-N 1 3 341.480 3.193 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCSC2)CC1 ZINC000564115617 316115150 /nfs/dbraw/zinc/11/51/50/316115150.db2.gz ODVAOKRNEMAEGQ-GOSISDBHSA-N 1 3 347.572 3.451 10 0 EGAEHO c1ccc(CN2C[C@@H](C[NH2+]C3CCCC3)C3(C2)CCOCC3)cc1 ZINC000565763613 316366568 /nfs/dbraw/zinc/36/65/68/316366568.db2.gz GTWKAQQFMPAVDC-LJQANCHMSA-N 1 3 328.500 3.447 10 0 EGAEHO OC1(CNCc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397586149 324295030 /nfs/dbraw/zinc/29/50/30/324295030.db2.gz JDGXAOIHBGFVNZ-UHFFFAOYSA-N 1 3 346.421 3.082 10 0 EGAEHO CC(C)C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000576984170 324720040 /nfs/dbraw/zinc/72/00/40/324720040.db2.gz NHGGFAXPUCRCGD-KRWDZBQOSA-N 1 3 349.544 3.168 10 0 EGAEHO O[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000077221227 454077987 /nfs/dbraw/zinc/07/79/87/454077987.db2.gz QCIGGWJZTMHTBA-HXUWFJFHSA-N 1 3 346.421 3.252 10 0 EGAEHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000121781576 454476334 /nfs/dbraw/zinc/47/63/34/454476334.db2.gz SHELOJNBNGHUEN-HNNXBMFYSA-N 1 3 347.503 3.426 10 0 EGAEHO CCN(CC)CCC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000122999310 454591080 /nfs/dbraw/zinc/59/10/80/454591080.db2.gz DPJXYYZKSTUFKY-HNNXBMFYSA-N 1 3 329.488 3.355 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000176916942 454799064 /nfs/dbraw/zinc/79/90/64/454799064.db2.gz WFGWFROPLMYTKO-RLLQIKCJSA-N 1 3 348.531 3.147 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000176916942 454799066 /nfs/dbraw/zinc/79/90/66/454799066.db2.gz WFGWFROPLMYTKO-RLLQIKCJSA-N 1 3 348.531 3.147 10 0 EGAEHO Fc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1Br ZINC000127395719 454960922 /nfs/dbraw/zinc/96/09/22/454960922.db2.gz LJLJMJVBKQZDBN-GFCCVEGCSA-N 1 3 327.241 3.162 10 0 EGAEHO CCC[C@H](C)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180044870 455122053 /nfs/dbraw/zinc/12/20/53/455122053.db2.gz HUKJSFXKSUVCTE-KRWDZBQOSA-N 1 3 331.504 3.038 10 0 EGAEHO C[NH+](C)CCOc1cc(CN[C@H](c2ccc(F)cc2)C2CC2)ccn1 ZINC000271647925 455711603 /nfs/dbraw/zinc/71/16/03/455711603.db2.gz FOXRMOCUQDCACO-FQEVSTJZSA-N 1 3 343.446 3.402 10 0 EGAEHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCC=CO1 ZINC000248878565 455736539 /nfs/dbraw/zinc/73/65/39/455736539.db2.gz KDFQHRKCGUBECY-NHCUHLMSSA-N 1 3 344.499 3.057 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCC=CO1 ZINC000248878565 455736542 /nfs/dbraw/zinc/73/65/42/455736542.db2.gz KDFQHRKCGUBECY-NHCUHLMSSA-N 1 3 344.499 3.057 10 0 EGAEHO NC[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1c1ccccc1 ZINC000261635817 455918467 /nfs/dbraw/zinc/91/84/67/455918467.db2.gz DHIPWUZKKILPAF-APWZRJJASA-N 1 3 338.480 3.108 10 0 EGAEHO NC[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1c1ccccc1 ZINC000261635817 455918474 /nfs/dbraw/zinc/91/84/74/455918474.db2.gz DHIPWUZKKILPAF-APWZRJJASA-N 1 3 338.480 3.108 10 0 EGAEHO Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)o1 ZINC000272409281 455941465 /nfs/dbraw/zinc/94/14/65/455941465.db2.gz KVQWULSOQVZSKC-YSTOQKLRSA-N 1 3 340.467 3.407 10 0 EGAEHO C[C@@H]1C[C@H](NCc2ccc3cncn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529319 456244235 /nfs/dbraw/zinc/24/42/35/456244235.db2.gz NWDGPNREZLKMJE-YLJYHZDGSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@@H]1C[C@H](NCc2ccc3cncn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297529319 456244239 /nfs/dbraw/zinc/24/42/39/456244239.db2.gz NWDGPNREZLKMJE-YLJYHZDGSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3cncn3c2)CCN1Cc1ccccc1 ZINC000297529319 456244241 /nfs/dbraw/zinc/24/42/41/456244241.db2.gz NWDGPNREZLKMJE-YLJYHZDGSA-N 1 3 334.467 3.477 10 0 EGAEHO COc1cccc([C@@H]2[C@H](NCC[C@H]3CCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000338634250 456847280 /nfs/dbraw/zinc/84/72/80/456847280.db2.gz UZVWZGVPPVQVFG-DUXKGJEZSA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@H](NCC[C@H]3CCC[N@H+]3C)CCN2C2CC2)c1 ZINC000338634250 456847283 /nfs/dbraw/zinc/84/72/83/456847283.db2.gz UZVWZGVPPVQVFG-DUXKGJEZSA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@H]([NH2+]CC[C@H]3CCCN3C)CCN2C2CC2)c1 ZINC000338634250 456847287 /nfs/dbraw/zinc/84/72/87/456847287.db2.gz UZVWZGVPPVQVFG-DUXKGJEZSA-N 1 3 343.515 3.047 10 0 EGAEHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000342080212 457096552 /nfs/dbraw/zinc/09/65/52/457096552.db2.gz HEBJPVSTYDALLN-CRPZLVSXSA-N 1 3 342.405 3.155 10 0 EGAEHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000354177036 457111780 /nfs/dbraw/zinc/11/17/80/457111780.db2.gz GAUWIUIIDBIQSR-FJXZYEQHSA-N 1 3 339.527 3.254 10 0 EGAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000381178347 457420714 /nfs/dbraw/zinc/42/07/14/457420714.db2.gz IBGKXCFKERDYKG-PXNSSMCTSA-N 1 3 339.483 3.103 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1F ZINC000358343411 457946723 /nfs/dbraw/zinc/94/67/23/457946723.db2.gz HSFIEYLHZVQYGB-APWZRJJASA-N 1 3 343.446 3.100 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1F ZINC000358343411 457946728 /nfs/dbraw/zinc/94/67/28/457946728.db2.gz HSFIEYLHZVQYGB-APWZRJJASA-N 1 3 343.446 3.100 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427616759 458008287 /nfs/dbraw/zinc/00/82/87/458008287.db2.gz ZMTQVNWWEDRLAT-DOMZBBRYSA-N 1 3 327.394 3.409 10 0 EGAEHO C[NH+](C)CCOCCN[C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000447598123 458319192 /nfs/dbraw/zinc/31/91/92/458319192.db2.gz UMDGEIUPMXFJHM-LJQANCHMSA-N 1 3 347.890 3.187 10 0 EGAEHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459385369 458354390 /nfs/dbraw/zinc/35/43/90/458354390.db2.gz HELDBTVUEDBFCG-JCHJZTRSSA-N 1 3 334.529 3.256 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000431572599 458590465 /nfs/dbraw/zinc/59/04/65/458590465.db2.gz XECZKFMBRLBSQH-IRXDYDNUSA-N 1 3 349.544 3.266 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000431572599 458590471 /nfs/dbraw/zinc/59/04/71/458590471.db2.gz XECZKFMBRLBSQH-IRXDYDNUSA-N 1 3 349.544 3.266 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000470774234 458649706 /nfs/dbraw/zinc/64/97/06/458649706.db2.gz RPGQSYFIIOSIHE-WTOYTKOKSA-N 1 3 340.511 3.405 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000470774234 458649709 /nfs/dbraw/zinc/64/97/09/458649709.db2.gz RPGQSYFIIOSIHE-WTOYTKOKSA-N 1 3 340.511 3.405 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000462791714 458655771 /nfs/dbraw/zinc/65/57/71/458655771.db2.gz LYXHISJITRNEOY-HSALFYBXSA-N 1 3 346.515 3.312 10 0 EGAEHO COc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000520582168 459075091 /nfs/dbraw/zinc/07/50/91/459075091.db2.gz RMAXZVGKYFBZRG-IYBDPMFKSA-N 1 3 343.496 3.250 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000594944431 459187868 /nfs/dbraw/zinc/18/78/68/459187868.db2.gz PXCZUXGRSJKYFO-IJXRJRJASA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944431 459187875 /nfs/dbraw/zinc/18/78/75/459187875.db2.gz PXCZUXGRSJKYFO-IJXRJRJASA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000594944431 459187878 /nfs/dbraw/zinc/18/78/78/459187878.db2.gz PXCZUXGRSJKYFO-IJXRJRJASA-N 1 3 344.499 3.076 10 0 EGAEHO CC(C)[N@H+](C)CC1CCN(CCOCCOc2ccccc2)CC1 ZINC000590786161 459219218 /nfs/dbraw/zinc/21/92/18/459219218.db2.gz DMZMKONSBXAIEI-UHFFFAOYSA-N 1 3 334.504 3.134 10 0 EGAEHO CC(C)[N@@H+](C)CC1CCN(CCOCCOc2ccccc2)CC1 ZINC000590786161 459219223 /nfs/dbraw/zinc/21/92/23/459219223.db2.gz DMZMKONSBXAIEI-UHFFFAOYSA-N 1 3 334.504 3.134 10 0 EGAEHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000562959122 459681399 /nfs/dbraw/zinc/68/13/99/459681399.db2.gz VCKZDXNMTRYOFE-JLZZUVOBSA-N 1 3 328.847 3.048 10 0 EGAEHO C[C@H](NCCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527859219 459761191 /nfs/dbraw/zinc/76/11/91/459761191.db2.gz NYHBTJMBLSIQDE-INIZCTEOSA-N 1 3 326.488 3.470 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000527988511 459788831 /nfs/dbraw/zinc/78/88/31/459788831.db2.gz SWRXNONBILVABL-LPHOPBHVSA-N 1 3 331.504 3.265 10 0 EGAEHO CCOc1c(OC)cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1OC ZINC000623386118 460521633 /nfs/dbraw/zinc/52/16/33/460521633.db2.gz KMRWSUXIOLIZLT-HNNXBMFYSA-N 1 3 336.476 3.065 10 0 EGAEHO C[N@@H+]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)CC1(C)C ZINC000623947945 460791935 /nfs/dbraw/zinc/79/19/35/460791935.db2.gz XDFBMCZLQHWWIA-LJQANCHMSA-N 1 3 345.531 3.176 10 0 EGAEHO C[N@H+]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)CC1(C)C ZINC000623947945 460791939 /nfs/dbraw/zinc/79/19/39/460791939.db2.gz XDFBMCZLQHWWIA-LJQANCHMSA-N 1 3 345.531 3.176 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000629529081 460797040 /nfs/dbraw/zinc/79/70/40/460797040.db2.gz RCZKEOBZQJWUAU-MRXNPFEDSA-N 1 3 328.456 3.249 10 0 EGAEHO [NH3+]CCCOCCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629536935 460799737 /nfs/dbraw/zinc/79/97/37/460799737.db2.gz HYMCXVXQMSXORE-HNNXBMFYSA-N 1 3 331.485 3.143 10 0 EGAEHO Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505242 460883800 /nfs/dbraw/zinc/88/38/00/460883800.db2.gz YSZOEJIZMKTBDT-HNNXBMFYSA-N 1 3 345.487 3.051 10 0 EGAEHO Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505242 460883806 /nfs/dbraw/zinc/88/38/06/460883806.db2.gz YSZOEJIZMKTBDT-HNNXBMFYSA-N 1 3 345.487 3.051 10 0 EGAEHO CN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000624271922 460942465 /nfs/dbraw/zinc/94/24/65/460942465.db2.gz MSBYHFVWGWJFAC-BQJUDKOJSA-N 1 3 327.516 3.113 10 0 EGAEHO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249736 461142812 /nfs/dbraw/zinc/14/28/12/461142812.db2.gz YZXSHESYEPJJJD-RBUKOAKNSA-N 1 3 330.472 3.133 10 0 EGAEHO COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249736 461142817 /nfs/dbraw/zinc/14/28/17/461142817.db2.gz YZXSHESYEPJJJD-RBUKOAKNSA-N 1 3 330.472 3.133 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccc(Cl)cc2)C1 ZINC000652361199 461153955 /nfs/dbraw/zinc/15/39/55/461153955.db2.gz ZLWUHPNUHPUGSK-NJAFHUGGSA-N 1 3 338.879 3.080 10 0 EGAEHO Fc1ccccc1[C@H](Cc1ccccc1)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283817 461166104 /nfs/dbraw/zinc/16/61/04/461166104.db2.gz VOTIXGZRFOLPGX-XLIONFOSSA-N 1 3 340.442 3.220 10 0 EGAEHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298191 461175459 /nfs/dbraw/zinc/17/54/59/461175459.db2.gz UUVXOOJJNKZCKU-ZBFHGGJFSA-N 1 3 349.906 3.379 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662297204 461176143 /nfs/dbraw/zinc/17/61/43/461176143.db2.gz OIIYZOJTHMKDKQ-MJGOQNOKSA-N 1 3 343.515 3.140 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662463795 461254026 /nfs/dbraw/zinc/25/40/26/461254026.db2.gz ICUKFYHYHNCNLU-HXUWFJFHSA-N 1 3 343.515 3.192 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662463795 461254033 /nfs/dbraw/zinc/25/40/33/461254033.db2.gz ICUKFYHYHNCNLU-HXUWFJFHSA-N 1 3 343.515 3.192 10 0 EGAEHO CC(C)[C@@H](O)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668686917 461382595 /nfs/dbraw/zinc/38/25/95/461382595.db2.gz AMKQYQXXGRXPNC-LEWJYISDSA-N 1 3 339.483 3.398 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663503089 461675917 /nfs/dbraw/zinc/67/59/17/461675917.db2.gz NMCLCVAVGFISGQ-DZGCQCFKSA-N 1 3 325.884 3.329 10 0 EGAEHO Clc1ccccc1Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000647544683 461761746 /nfs/dbraw/zinc/76/17/46/461761746.db2.gz YTSDAMCMKXFCIE-CALCHBBNSA-N 1 3 344.890 3.016 10 0 EGAEHO CN1CCC(N2CC[C@@H]([NH2+][C@H](C3CCC3)C3CCCCC3)C2)CC1 ZINC000643883252 461826117 /nfs/dbraw/zinc/82/61/17/461826117.db2.gz GSVMWKVFFRHDLG-CTNGQTDRSA-N 1 3 333.564 3.494 10 0 EGAEHO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccccc1CCN(C)C ZINC000666839167 461826290 /nfs/dbraw/zinc/82/62/90/461826290.db2.gz OLAADRCRQPIXDI-UHFFFAOYSA-N 1 3 334.508 3.033 10 0 EGAEHO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccccc1CCN(C)C ZINC000666839167 461826300 /nfs/dbraw/zinc/82/63/00/461826300.db2.gz OLAADRCRQPIXDI-UHFFFAOYSA-N 1 3 334.508 3.033 10 0 EGAEHO [NH3+][C@@H]1CCC[C@@H](NCc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000666853915 461835698 /nfs/dbraw/zinc/83/56/98/461835698.db2.gz MSJFWPNVHQZENS-IAGOWNOFSA-N 1 3 339.487 3.420 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(OC(C)C)c(OC)c1 ZINC000650718349 461910285 /nfs/dbraw/zinc/91/02/85/461910285.db2.gz ICNVRVHZRJQGGK-UHFFFAOYSA-N 1 3 328.456 3.492 10 0 EGAEHO CC1(C)C[C@@H]([NH2+]Cc2ccc3cncn3c2)CN1Cc1ccccc1 ZINC000656980622 461948844 /nfs/dbraw/zinc/94/88/44/461948844.db2.gz ZPNKWPYERVNIMY-LJQANCHMSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@@H]1CCC[N@H+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657311477 462037046 /nfs/dbraw/zinc/03/70/46/462037046.db2.gz KXALPDOOHOLVAY-CYBMUJFWSA-N 1 3 332.414 3.041 10 0 EGAEHO C[C@@H]1CCC[N@@H+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657311477 462037050 /nfs/dbraw/zinc/03/70/50/462037050.db2.gz KXALPDOOHOLVAY-CYBMUJFWSA-N 1 3 332.414 3.041 10 0 EGAEHO CN1CCC([N@@H+]2CC[C@@H](NCc3cc(Cl)sc3Cl)C2)CC1 ZINC000648450326 462123915 /nfs/dbraw/zinc/12/39/15/462123915.db2.gz BAVYPBIXFMRAEP-GFCCVEGCSA-N 1 3 348.343 3.313 10 0 EGAEHO CN1CCC([N@H+]2CC[C@@H](NCc3cc(Cl)sc3Cl)C2)CC1 ZINC000648450326 462123923 /nfs/dbraw/zinc/12/39/23/462123923.db2.gz BAVYPBIXFMRAEP-GFCCVEGCSA-N 1 3 348.343 3.313 10 0 EGAEHO CCc1ccc2nccc(N3CCO[C@@H](CCC[NH+](C)C)C3)c2c1 ZINC000664659900 462143389 /nfs/dbraw/zinc/14/33/89/462143389.db2.gz XGPLGQBRJJOZMS-KRWDZBQOSA-N 1 3 327.472 3.344 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000648745126 462257759 /nfs/dbraw/zinc/25/77/59/462257759.db2.gz IRUJTZJZJSTOGA-IZBJGVDFSA-N 1 3 343.515 3.011 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000648745126 462257763 /nfs/dbraw/zinc/25/77/63/462257763.db2.gz IRUJTZJZJSTOGA-IZBJGVDFSA-N 1 3 343.515 3.011 10 0 EGAEHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667789114 462263802 /nfs/dbraw/zinc/26/38/02/462263802.db2.gz FGHKUJUPNWQMTM-UYAOXDASSA-N 1 3 332.488 3.064 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)(C)C(F)F ZINC000657841477 462293007 /nfs/dbraw/zinc/29/30/07/462293007.db2.gz CRNYRMVBFNLTFU-OAHLLOKOSA-N 1 3 339.474 3.203 10 0 EGAEHO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000651699113 462307144 /nfs/dbraw/zinc/30/71/44/462307144.db2.gz HMTJNUWAKKOUJR-QUCCMNQESA-N 1 3 331.504 3.036 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(C)(C)C ZINC000665164601 462336200 /nfs/dbraw/zinc/33/62/00/462336200.db2.gz SYQPFVSEJDOLMM-INIZCTEOSA-N 1 3 348.535 3.378 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(C)(C)C ZINC000665164601 462336204 /nfs/dbraw/zinc/33/62/04/462336204.db2.gz SYQPFVSEJDOLMM-INIZCTEOSA-N 1 3 348.535 3.378 10 0 EGAEHO O[C@]1(C2CC2)CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000661632381 462336475 /nfs/dbraw/zinc/33/64/75/462336475.db2.gz OXLSJJYTMTYXQK-OAQYLSRUSA-N 1 3 328.500 3.409 10 0 EGAEHO O[C@]1(C2CC2)CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000661632381 462336483 /nfs/dbraw/zinc/33/64/83/462336483.db2.gz OXLSJJYTMTYXQK-OAQYLSRUSA-N 1 3 328.500 3.409 10 0 EGAEHO COc1ccccc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658068992 462366420 /nfs/dbraw/zinc/36/64/20/462366420.db2.gz IXRRTARKJSMVBR-INIZCTEOSA-N 1 3 332.488 3.237 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCCF)cc2)C1 ZINC000658135407 462398972 /nfs/dbraw/zinc/39/89/72/462398972.db2.gz DLQGLRKGBLZQEK-ZCNNSNEGSA-N 1 3 334.479 3.261 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCCc4sccc43)cc2)C1 ZINC000658136675 462400838 /nfs/dbraw/zinc/40/08/38/462400838.db2.gz DSZOLJGWMMFKSL-MJGOQNOKSA-N 1 3 342.508 3.482 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCCc4sccc43)cc2)C1 ZINC000658136675 462400842 /nfs/dbraw/zinc/40/08/42/462400842.db2.gz DSZOLJGWMMFKSL-MJGOQNOKSA-N 1 3 342.508 3.482 10 0 EGAEHO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658136610 462401016 /nfs/dbraw/zinc/40/10/16/462401016.db2.gz DOHZJGBFIGYCHO-OALUTQOASA-N 1 3 344.524 3.426 10 0 EGAEHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138825 462401623 /nfs/dbraw/zinc/40/16/23/462401623.db2.gz OLDAUFSODCDRRD-OXQOHEQNSA-N 1 3 342.458 3.113 10 0 EGAEHO Cc1ccsc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138327 462402162 /nfs/dbraw/zinc/40/21/62/462402162.db2.gz JDYSZDZSVZPDTA-QAPCUYQASA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccsc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138327 462402168 /nfs/dbraw/zinc/40/21/68/462402168.db2.gz JDYSZDZSVZPDTA-QAPCUYQASA-N 1 3 330.497 3.474 10 0 EGAEHO COc1ccsc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138460 462402405 /nfs/dbraw/zinc/40/24/05/462402405.db2.gz NUHXMMSMYUJJAS-PBHICJAKSA-N 1 3 346.496 3.174 10 0 EGAEHO COc1ccsc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138460 462402408 /nfs/dbraw/zinc/40/24/08/462402408.db2.gz NUHXMMSMYUJJAS-PBHICJAKSA-N 1 3 346.496 3.174 10 0 EGAEHO Cc1cc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140644 462404034 /nfs/dbraw/zinc/40/40/34/462404034.db2.gz VSMZLMBCIPXBDS-KXBFYZLASA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1cc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140644 462404039 /nfs/dbraw/zinc/40/40/39/462404039.db2.gz VSMZLMBCIPXBDS-KXBFYZLASA-N 1 3 330.497 3.474 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142159 462404704 /nfs/dbraw/zinc/40/47/04/462404704.db2.gz YYZHSOAEUZEZJW-BBRMVZONSA-N 1 3 326.431 3.023 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCc4occc43)cc2)C1 ZINC000658141953 462404718 /nfs/dbraw/zinc/40/47/18/462404718.db2.gz YEMQRNNFXBVGSB-IEBWSBKVSA-N 1 3 326.440 3.013 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCc4occc43)cc2)C1 ZINC000658141953 462404723 /nfs/dbraw/zinc/40/47/23/462404723.db2.gz YEMQRNNFXBVGSB-IEBWSBKVSA-N 1 3 326.440 3.013 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143231 462407672 /nfs/dbraw/zinc/40/76/72/462407672.db2.gz GKJGOBBEVMLRBM-FOIQADDNSA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143231 462407674 /nfs/dbraw/zinc/40/76/74/462407674.db2.gz GKJGOBBEVMLRBM-FOIQADDNSA-N 1 3 328.431 3.243 10 0 EGAEHO CCN(C(=O)CCC(C)(C)[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000649305788 462474284 /nfs/dbraw/zinc/47/42/84/462474284.db2.gz ARUBBNMTQXTXGL-WMZOPIPTSA-N 1 3 331.504 3.188 10 0 EGAEHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000356859345 535888926 /nfs/dbraw/zinc/88/89/26/535888926.db2.gz XTVOUSMCOHZDMK-WOJBJXKFSA-N 1 3 343.515 3.036 10 0 EGAEHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000356859344 535890335 /nfs/dbraw/zinc/89/03/35/535890335.db2.gz XTVOUSMCOHZDMK-VQTJNVASSA-N 1 3 343.515 3.036 10 0 EGAEHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964245 547862638 /nfs/dbraw/zinc/86/26/38/547862638.db2.gz UMTYNSKETNCWPK-IAQYHMDHSA-N 1 3 334.261 3.085 10 0 EGAEHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)c1ccncc1 ZINC000675928720 549007214 /nfs/dbraw/zinc/00/72/14/549007214.db2.gz VWPSFCDJZQUKAD-SJORKVTESA-N 1 3 327.472 3.476 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000685841404 550447054 /nfs/dbraw/zinc/44/70/54/550447054.db2.gz VPUZZQBWWABGLJ-FQEVSTJZSA-N 1 3 343.559 3.285 10 0 EGAEHO Cc1cc([C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C2CC2)ccc1F ZINC000678687440 576169172 /nfs/dbraw/zinc/16/91/72/576169172.db2.gz YSQWNENQJADZFO-GHTZIAJQSA-N 1 3 345.506 3.343 10 0 EGAEHO C[NH2+]C[C@H]1CCCN([C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000234388058 1296180273 /nfs/dbraw/zinc/18/02/73/1296180273.db2.gz OZPIKKIZPUPIFF-DZGCQCFKSA-N 1 3 325.294 3.312 10 0 EGAEHO C[C@@H]1C[C@H](NCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268827824 1296703621 /nfs/dbraw/zinc/70/36/21/1296703621.db2.gz LSALAHBWIRAYFM-SJLPKXTDSA-N 1 3 347.503 3.154 10 0 EGAEHO C[C@@H]1C[C@H](NCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268827824 1296703629 /nfs/dbraw/zinc/70/36/29/1296703629.db2.gz LSALAHBWIRAYFM-SJLPKXTDSA-N 1 3 347.503 3.154 10 0 EGAEHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CCCCCC[NH3+] ZINC000872154868 1296771851 /nfs/dbraw/zinc/77/18/51/1296771851.db2.gz CRSZXFUDVHGJCW-JKSUJKDBSA-N 1 3 337.533 3.251 10 0 EGAEHO c1cc2c(c(CN3CCC(OCC[NH+]4CCCC4)CC3)n1)CCCC2 ZINC000892130757 1305260163 /nfs/dbraw/zinc/26/01/63/1305260163.db2.gz RVFQWNVFABSXRH-UHFFFAOYSA-N 1 3 343.515 3.037 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@H](C)C1 ZINC000894049021 1306191062 /nfs/dbraw/zinc/19/10/62/1306191062.db2.gz CCGPOPCXJNGAKT-KDOFPFPSSA-N 1 3 343.471 3.117 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@H](C)C1 ZINC000894049021 1306191065 /nfs/dbraw/zinc/19/10/65/1306191065.db2.gz CCGPOPCXJNGAKT-KDOFPFPSSA-N 1 3 343.471 3.117 10 0 EGAEHO c1cn2cc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)sc2n1 ZINC000894135164 1306239422 /nfs/dbraw/zinc/23/94/22/1306239422.db2.gz RXMLJQIWXXBLNH-INIZCTEOSA-N 1 3 326.469 3.008 10 0 EGAEHO COC(=O)c1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)[nH]c1C(C)C ZINC000894780107 1309067218 /nfs/dbraw/zinc/06/72/18/1309067218.db2.gz XAMJYSFOLNZMPG-INIZCTEOSA-N 1 3 347.503 3.088 10 0 EGAEHO Cc1cc(CNCC2CC[NH+](C)CC2)c(Br)cc1F ZINC000858127758 1328689253 /nfs/dbraw/zinc/68/92/53/1328689253.db2.gz PGLCGHNEHWSSRY-UHFFFAOYSA-N 1 3 329.257 3.328 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1(C)C ZINC000858133700 1328691951 /nfs/dbraw/zinc/69/19/51/1328691951.db2.gz VJBJBYAWXKFLOE-SWLSCSKDSA-N 1 3 331.287 3.489 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000858227923 1328716400 /nfs/dbraw/zinc/71/64/00/1328716400.db2.gz SFJMSDRLCZYHJF-IKGGRYGDSA-N 1 3 349.519 3.135 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C12CCC2 ZINC000858227923 1328716405 /nfs/dbraw/zinc/71/64/05/1328716405.db2.gz SFJMSDRLCZYHJF-IKGGRYGDSA-N 1 3 349.519 3.135 10 0 EGAEHO CN(C)Cc1cc(CNCc2nccc3c2CCCC3)ccc1F ZINC000921745903 1322390395 /nfs/dbraw/zinc/39/03/95/1322390395.db2.gz REVYYJMUTZVNOI-UHFFFAOYSA-N 1 3 327.447 3.451 10 0 EGAEHO C[NH+](C)Cc1cc(CNCc2nccc3c2CCCC3)ccc1F ZINC000921745903 1322390401 /nfs/dbraw/zinc/39/04/01/1322390401.db2.gz REVYYJMUTZVNOI-UHFFFAOYSA-N 1 3 327.447 3.451 10 0 EGAEHO CN(C)Cc1cc(C[NH2+]Cc2nccc3c2CCCC3)ccc1F ZINC000921745903 1322390404 /nfs/dbraw/zinc/39/04/04/1322390404.db2.gz REVYYJMUTZVNOI-UHFFFAOYSA-N 1 3 327.447 3.451 10 0 EGAEHO O=c1[nH]c2cccc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)c2o1 ZINC000922075540 1322449449 /nfs/dbraw/zinc/44/94/49/1322449449.db2.gz BXGPPILBKJMGTM-INIZCTEOSA-N 1 3 337.423 3.145 10 0 EGAEHO CN(CCC[NH2+]C1CC1)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000923307671 1322729929 /nfs/dbraw/zinc/72/99/29/1322729929.db2.gz YWVPWCFRBDANIZ-UHFFFAOYSA-N 1 3 330.451 3.222 10 0 EGAEHO C[C@H]1CN(Cc2ccc(Br)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923496060 1322761458 /nfs/dbraw/zinc/76/14/58/1322761458.db2.gz ZKJGSZQBZWJVGS-STQMWFEESA-N 1 3 348.288 3.414 10 0 EGAEHO C[C@@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923501300 1322764042 /nfs/dbraw/zinc/76/40/42/1322764042.db2.gz PZYGXHHAFQGMJZ-TZMCWYRMSA-N 1 3 348.288 3.414 10 0 EGAEHO COc1ccccc1N1CC[C@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000925256578 1325100716 /nfs/dbraw/zinc/10/07/16/1325100716.db2.gz LDWMWRPGUGWLLJ-IBGZPJMESA-N 1 3 345.531 3.374 10 0 EGAEHO Cc1nc2c(o1)CCC[C@H]2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000925300214 1325117525 /nfs/dbraw/zinc/11/75/25/1325117525.db2.gz IUOKIWHRPAFHHV-QGZVFWFLSA-N 1 3 326.444 3.262 10 0 EGAEHO COc1ccccc1N1CCC([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925534383 1325196619 /nfs/dbraw/zinc/19/66/19/1325196619.db2.gz LDGQHEGCUYDRNM-UXPWSPDFSA-N 1 3 343.515 3.030 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000925635951 1325241192 /nfs/dbraw/zinc/24/11/92/1325241192.db2.gz VOIJNYGNXBWZAH-IHPCNDPISA-N 1 3 344.499 3.266 10 0 EGAEHO CC1(C)[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925648097 1325246269 /nfs/dbraw/zinc/24/62/69/1325246269.db2.gz OJYRCMFPDQTGHP-XCDZQEORSA-N 1 3 332.463 3.412 10 0 EGAEHO CC1(C)[C@H](N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648097 1325246275 /nfs/dbraw/zinc/24/62/75/1325246275.db2.gz OJYRCMFPDQTGHP-XCDZQEORSA-N 1 3 332.463 3.412 10 0 EGAEHO Cc1noc(C[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)n1 ZINC000925651705 1325247536 /nfs/dbraw/zinc/24/75/36/1325247536.db2.gz JIDNUEFOJXIXNW-IKGGRYGDSA-N 1 3 328.460 3.157 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cc(Br)cs1 ZINC000925776853 1325294639 /nfs/dbraw/zinc/29/46/39/1325294639.db2.gz MZKOPTPDJNEZFM-RKDXNWHRSA-N 1 3 339.249 3.406 10 0 EGAEHO Cc1nc2c(cccc2CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)o1 ZINC000925838763 1325322490 /nfs/dbraw/zinc/32/24/90/1325322490.db2.gz NXSUKPFYAXMEDT-QZTJIDSGSA-N 1 3 327.472 3.437 10 0 EGAEHO CC(C)CC[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850101 1325329166 /nfs/dbraw/zinc/32/91/66/1325329166.db2.gz NBWWKXIHIPDIFH-IAGOWNOFSA-N 1 3 334.460 3.032 10 0 EGAEHO c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925880992 1325340987 /nfs/dbraw/zinc/34/09/87/1325340987.db2.gz PFGSRJUWJUTKQG-PCCBWWKXSA-N 1 3 328.500 3.448 10 0 EGAEHO C[C@@H](NCc1ccc2oc(=O)n(C)c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926766036 1327706919 /nfs/dbraw/zinc/70/69/19/1327706919.db2.gz OOZKPJUMBANMMP-CQSZACIVSA-N 1 3 339.439 3.044 10 0 EGAEHO CC(C)CCN1CCC([NH2+]CCc2cn(C)c3ncccc23)CC1 ZINC000926804218 1327725427 /nfs/dbraw/zinc/72/54/27/1327725427.db2.gz VNNVOIGKUUVLIT-UHFFFAOYSA-N 1 3 328.504 3.216 10 0 EGAEHO C[C@@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000926854644 1327741243 /nfs/dbraw/zinc/74/12/43/1327741243.db2.gz DXKWCAAIDIDKEJ-MRXNPFEDSA-N 1 3 345.512 3.211 10 0 EGAEHO Cc1cc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC000926910275 1327771260 /nfs/dbraw/zinc/77/12/60/1327771260.db2.gz JZVPDEVAYSTIGI-WKCHPHFGSA-N 1 3 338.499 3.056 10 0 EGAEHO Cc1cc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC000926910275 1327771269 /nfs/dbraw/zinc/77/12/69/1327771269.db2.gz JZVPDEVAYSTIGI-WKCHPHFGSA-N 1 3 338.499 3.056 10 0 EGAEHO NC1(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCOCC1 ZINC000863481221 1329557662 /nfs/dbraw/zinc/55/76/62/1329557662.db2.gz CNMLGVZXMQRACZ-UHFFFAOYSA-N 1 3 344.430 3.002 10 0 EGAEHO C[NH+](C)CC1CCC(NCc2cccnc2Br)CC1 ZINC000865510162 1329707271 /nfs/dbraw/zinc/70/72/71/1329707271.db2.gz XGZQGFMPYWANLL-UHFFFAOYSA-N 1 3 326.282 3.054 10 0 EGAEHO CC(C)n1ccnc1CNCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865775512 1329737154 /nfs/dbraw/zinc/73/71/54/1329737154.db2.gz XDBWTZSRQGDXFF-UHFFFAOYSA-N 1 3 326.488 3.217 10 0 EGAEHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000866307171 1330093911 /nfs/dbraw/zinc/09/39/11/1330093911.db2.gz SJBDOCSBGCNNCL-AKQDLLBKSA-N 1 3 346.490 3.417 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000866388138 1330105405 /nfs/dbraw/zinc/10/54/05/1330105405.db2.gz BYEGXPDSUVASJN-FPOVZHCZSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000866388138 1330105406 /nfs/dbraw/zinc/10/54/06/1330105406.db2.gz BYEGXPDSUVASJN-FPOVZHCZSA-N 1 3 339.483 3.135 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860704 1387482141 /nfs/dbraw/zinc/48/21/41/1387482141.db2.gz UKFRUWGVJHTXLM-HTQXOKQJSA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860704 1387482145 /nfs/dbraw/zinc/48/21/45/1387482145.db2.gz UKFRUWGVJHTXLM-HTQXOKQJSA-N 1 3 349.563 3.243 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001324496024 1387649473 /nfs/dbraw/zinc/64/94/73/1387649473.db2.gz SPRNETOQMUMAPD-FUHWJXTLSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788787 1387773221 /nfs/dbraw/zinc/77/32/21/1387773221.db2.gz LETLYAVIUHKEJY-WIYYLYMNSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001324864676 1387796279 /nfs/dbraw/zinc/79/62/79/1387796279.db2.gz QZUUSLZAYDKPSL-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001324936786 1387833206 /nfs/dbraw/zinc/83/32/06/1387833206.db2.gz PKXONZLIKUSKOJ-NRFANRHFSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001324936786 1387833212 /nfs/dbraw/zinc/83/32/12/1387833212.db2.gz PKXONZLIKUSKOJ-NRFANRHFSA-N 1 3 349.563 3.435 10 0 EGAEHO CCOC(=O)CCCCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590097 1368847874 /nfs/dbraw/zinc/84/78/74/1368847874.db2.gz PWECKJVAFKXBJL-PZJWPPBQSA-N 1 3 344.499 3.174 10 0 EGAEHO CCOC(=O)CCCCN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590097 1368847878 /nfs/dbraw/zinc/84/78/78/1368847878.db2.gz PWECKJVAFKXBJL-PZJWPPBQSA-N 1 3 344.499 3.174 10 0 EGAEHO Cc1nc(C)c(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC001119813868 1371407361 /nfs/dbraw/zinc/40/73/61/1371407361.db2.gz KWWHXHCWZXGTAR-GJZGRUSLSA-N 1 3 326.488 3.273 10 0 EGAEHO Cc1nc(C)c(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC001119813872 1371407383 /nfs/dbraw/zinc/40/73/83/1371407383.db2.gz KWWHXHCWZXGTAR-QVDMIQRCSA-N 1 3 326.488 3.273 10 0 EGAEHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)CC1CCC1)N(C)C ZINC001326449662 1388194689 /nfs/dbraw/zinc/19/46/89/1388194689.db2.gz QWNDNRKYGSUYLK-FQEVSTJZSA-N 1 3 345.531 3.121 10 0 EGAEHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)CC1CCC1)N(C)C ZINC001326449662 1388194692 /nfs/dbraw/zinc/19/46/92/1388194692.db2.gz QWNDNRKYGSUYLK-FQEVSTJZSA-N 1 3 345.531 3.121 10 0 EGAEHO C[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1)N1CCCCCC1 ZINC001326898312 1388342783 /nfs/dbraw/zinc/34/27/83/1388342783.db2.gz GMWNELSHSNFZTR-KRWDZBQOSA-N 1 3 337.552 3.316 10 0 EGAEHO CCc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001266119825 1377196253 /nfs/dbraw/zinc/19/62/53/1377196253.db2.gz NGMRDEXYPGKUKG-HXUWFJFHSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001266119825 1377196254 /nfs/dbraw/zinc/19/62/54/1377196254.db2.gz NGMRDEXYPGKUKG-HXUWFJFHSA-N 1 3 345.531 3.012 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001266284771 1377258783 /nfs/dbraw/zinc/25/87/83/1377258783.db2.gz KRHICQRMINKZHH-IBGZPJMESA-N 1 3 345.531 3.034 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)CC[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001266284771 1377258786 /nfs/dbraw/zinc/25/87/86/1377258786.db2.gz KRHICQRMINKZHH-IBGZPJMESA-N 1 3 345.531 3.034 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001273084303 1378087032 /nfs/dbraw/zinc/08/70/32/1378087032.db2.gz JLBSQOMEKIPMBQ-GOSISDBHSA-N 1 3 347.547 3.068 10 0 EGAEHO CCCCCC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001275608667 1378147552 /nfs/dbraw/zinc/14/75/52/1378147552.db2.gz DIJPXMBPNWTQPO-UHFFFAOYSA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001277364064 1378219439 /nfs/dbraw/zinc/21/94/39/1378219439.db2.gz YTWSBZDPPANWMN-HNAYVOBHSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)CCCN1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001281298375 1378413357 /nfs/dbraw/zinc/41/33/57/1378413357.db2.gz KCJOEVOCDUXIBC-IBGZPJMESA-N 1 3 343.515 3.006 10 0 EGAEHO CC(C)CCCN1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001281298375 1378413358 /nfs/dbraw/zinc/41/33/58/1378413358.db2.gz KCJOEVOCDUXIBC-IBGZPJMESA-N 1 3 343.515 3.006 10 0 EGAEHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001282715104 1378574087 /nfs/dbraw/zinc/57/40/87/1378574087.db2.gz OLMYRCXUPDIHKD-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001283101058 1378732395 /nfs/dbraw/zinc/73/23/95/1378732395.db2.gz CWOMUIUDQRYUPQ-VBSBHUPXSA-N 1 3 345.531 3.208 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001283268450 1378777912 /nfs/dbraw/zinc/77/79/12/1378777912.db2.gz KWQSUICNKWCVEE-HZPDHXFCSA-N 1 3 342.487 3.205 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001283344480 1378829349 /nfs/dbraw/zinc/82/93/49/1378829349.db2.gz RUHKSJUYVNLLPK-QGZVFWFLSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001283344480 1378829355 /nfs/dbraw/zinc/82/93/55/1378829355.db2.gz RUHKSJUYVNLLPK-QGZVFWFLSA-N 1 3 331.504 3.011 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001284295838 1379684128 /nfs/dbraw/zinc/68/41/28/1379684128.db2.gz MFNCPSQRYFOQRH-QZTJIDSGSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCCN2C)C(C)C)cc1C ZINC001284530813 1379937257 /nfs/dbraw/zinc/93/72/57/1379937257.db2.gz ZYBABUYSTWCQPA-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)CCN(C(=O)[C@@H]2CCCN2C)C(C)C)cc1C ZINC001284530813 1379937259 /nfs/dbraw/zinc/93/72/59/1379937259.db2.gz ZYBABUYSTWCQPA-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001284629973 1380034014 /nfs/dbraw/zinc/03/40/14/1380034014.db2.gz BVVAOVHORAHIMB-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CCC(CC)C[NH+]1CCC(C2(NC(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001284846515 1380269080 /nfs/dbraw/zinc/26/90/80/1380269080.db2.gz PRGSKSKWFJPNHG-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328254021 1388699292 /nfs/dbraw/zinc/69/92/92/1388699292.db2.gz DEOZOGUCDITHDL-OPDSQHBBSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001328254021 1388699295 /nfs/dbraw/zinc/69/92/95/1388699295.db2.gz DEOZOGUCDITHDL-OPDSQHBBSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001167706421 1383718033 /nfs/dbraw/zinc/71/80/33/1383718033.db2.gz HVXFCHBVKTWAOR-UHFFFAOYSA-N 1 3 330.476 3.141 10 0 EGAEHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001167706421 1383718038 /nfs/dbraw/zinc/71/80/38/1383718038.db2.gz HVXFCHBVKTWAOR-UHFFFAOYSA-N 1 3 330.476 3.141 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601464 1384468334 /nfs/dbraw/zinc/46/83/34/1384468334.db2.gz PWDQUSPNVGNYPW-ZWKOTPCHSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601464 1384468335 /nfs/dbraw/zinc/46/83/35/1384468335.db2.gz PWDQUSPNVGNYPW-ZWKOTPCHSA-N 1 3 337.552 3.076 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001316811265 1384608091 /nfs/dbraw/zinc/60/80/91/1384608091.db2.gz KSCLYZZXJRZQAR-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001316811265 1384608095 /nfs/dbraw/zinc/60/80/95/1384608095.db2.gz KSCLYZZXJRZQAR-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001316871424 1384656512 /nfs/dbraw/zinc/65/65/12/1384656512.db2.gz XKBLINHTIDVJCL-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001316871424 1384656515 /nfs/dbraw/zinc/65/65/15/1384656515.db2.gz XKBLINHTIDVJCL-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO CCCCC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001316933041 1384704031 /nfs/dbraw/zinc/70/40/31/1384704031.db2.gz FEYBGJHDUVTUMH-UHFFFAOYSA-N 1 3 325.541 3.077 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099918 1384863094 /nfs/dbraw/zinc/86/30/94/1384863094.db2.gz LEXYIKIXMDKYSI-ILWWCXPUSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099918 1384863098 /nfs/dbraw/zinc/86/30/98/1384863098.db2.gz LEXYIKIXMDKYSI-ILWWCXPUSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1Cl ZINC001317113093 1384874032 /nfs/dbraw/zinc/87/40/32/1384874032.db2.gz LWYLKGLEPMHXPJ-KFWWJZLASA-N 1 3 349.906 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001317138858 1384903947 /nfs/dbraw/zinc/90/39/47/1384903947.db2.gz WHODIHCRZWTJLI-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001317138858 1384903951 /nfs/dbraw/zinc/90/39/51/1384903951.db2.gz WHODIHCRZWTJLI-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514354 1385228364 /nfs/dbraw/zinc/22/83/64/1385228364.db2.gz UWCRLURBRPYPTG-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514354 1385228366 /nfs/dbraw/zinc/22/83/66/1385228366.db2.gz UWCRLURBRPYPTG-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514353 1385228433 /nfs/dbraw/zinc/22/84/33/1385228433.db2.gz UWCRLURBRPYPTG-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514353 1385228435 /nfs/dbraw/zinc/22/84/35/1385228435.db2.gz UWCRLURBRPYPTG-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC1CC(C)C1)C(C)C ZINC001317708613 1385410687 /nfs/dbraw/zinc/41/06/87/1385410687.db2.gz JIAAYAXJTAXJPE-CTWPCTMYSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC1CC(C)C1)C(C)C ZINC001317708613 1385410689 /nfs/dbraw/zinc/41/06/89/1385410689.db2.gz JIAAYAXJTAXJPE-CTWPCTMYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001319478224 1386139964 /nfs/dbraw/zinc/13/99/64/1386139964.db2.gz SLHBJAKLBBZMMF-OXJNMPFZSA-N 1 3 345.531 3.231 10 0 EGAEHO C[C@@H](C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1)N1CCCCCC1 ZINC001698632934 1406276985 /nfs/dbraw/zinc/27/69/85/1406276985.db2.gz CUWWPZJPKMTTHI-SFHVURJKSA-N 1 3 349.563 3.460 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001698706999 1406348595 /nfs/dbraw/zinc/34/85/95/1406348595.db2.gz GSGFEENEZYCFTD-OISZBXDOSA-N 1 3 335.536 3.233 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001698712497 1406354754 /nfs/dbraw/zinc/35/47/54/1406354754.db2.gz WEFGXCFAXZZNTA-GUDVDZBRSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CCCC1 ZINC001329742061 1389215343 /nfs/dbraw/zinc/21/53/43/1389215343.db2.gz LRYPLSXSPMTTHF-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386949 1390103175 /nfs/dbraw/zinc/10/31/75/1390103175.db2.gz IBNPTEDFYOWFHM-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001698805907 1406487273 /nfs/dbraw/zinc/48/72/73/1406487273.db2.gz ZKEWEPATBWZWTE-VOTSOKGWSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCC ZINC001479616654 1392290022 /nfs/dbraw/zinc/29/00/22/1392290022.db2.gz HHQLWJHITLGEEZ-HAGHYFMRSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCC ZINC001479616654 1392290023 /nfs/dbraw/zinc/29/00/23/1392290023.db2.gz HHQLWJHITLGEEZ-HAGHYFMRSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001479693735 1392324918 /nfs/dbraw/zinc/32/49/18/1392324918.db2.gz DDFNYLINYKATKQ-ICSRJNTNSA-N 1 3 345.531 3.450 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCCN2CC)c1 ZINC001698859239 1406567873 /nfs/dbraw/zinc/56/78/73/1406567873.db2.gz BQXSCFOHPHOPGK-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCCN2CC)c1 ZINC001698859235 1406568440 /nfs/dbraw/zinc/56/84/40/1406568440.db2.gz BQXSCFOHPHOPGK-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860226 1406569690 /nfs/dbraw/zinc/56/96/90/1406569690.db2.gz IEVRFVHFGVFQOH-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001480307958 1392669778 /nfs/dbraw/zinc/66/97/78/1392669778.db2.gz YBVJUDBCTYEILX-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001480346821 1392698511 /nfs/dbraw/zinc/69/85/11/1392698511.db2.gz JSGDFNWEKXHOKD-DSQZMVHQSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709842 1392871977 /nfs/dbraw/zinc/87/19/77/1392871977.db2.gz GWIPMGZUKAESCQ-MOPGFXCFSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001480830430 1392970472 /nfs/dbraw/zinc/97/04/72/1392970472.db2.gz VZUIVTMSRJZMET-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001480830430 1392970474 /nfs/dbraw/zinc/97/04/74/1392970474.db2.gz VZUIVTMSRJZMET-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@H](C)c1cc(C)ccc1C ZINC001481019343 1393095980 /nfs/dbraw/zinc/09/59/80/1393095980.db2.gz PSFXKVDNYBPFBI-GOSISDBHSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@H](C)c1cc(C)ccc1C ZINC001481019343 1393095985 /nfs/dbraw/zinc/09/59/85/1393095985.db2.gz PSFXKVDNYBPFBI-GOSISDBHSA-N 1 3 333.520 3.143 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@H]1CCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001481136580 1393130192 /nfs/dbraw/zinc/13/01/92/1393130192.db2.gz IQLACZPKLJTHMR-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@H]1CCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001481136580 1393130195 /nfs/dbraw/zinc/13/01/95/1393130195.db2.gz IQLACZPKLJTHMR-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001698882625 1406613464 /nfs/dbraw/zinc/61/34/64/1406613464.db2.gz GCDMCWXBXVTQPY-OALUTQOASA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001698923006 1406658020 /nfs/dbraw/zinc/65/80/20/1406658020.db2.gz KIUCBUATLQVEMN-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001491265002 1394496747 /nfs/dbraw/zinc/49/67/47/1394496747.db2.gz SCCZSIFXKBFEFN-RTBURBONSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856151 1394561710 /nfs/dbraw/zinc/56/17/10/1394561710.db2.gz PHKJPTSLWGVKOI-HKUYNNGSSA-N 1 3 335.536 3.236 10 0 EGAEHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1=CCCCC1 ZINC001481883802 1394577866 /nfs/dbraw/zinc/57/78/66/1394577866.db2.gz YXOXSZAXBQBNGN-HXUWFJFHSA-N 1 3 343.515 3.347 10 0 EGAEHO CC(C)CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001482238236 1394834697 /nfs/dbraw/zinc/83/46/97/1394834697.db2.gz KRIZCXZUFGJFFZ-UHFFFAOYSA-N 1 3 345.531 3.427 10 0 EGAEHO CC[C@H]([NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1)c1ccccc1 ZINC001482238557 1394834753 /nfs/dbraw/zinc/83/47/53/1394834753.db2.gz SVFOXZITAYJKPH-IBGZPJMESA-N 1 3 345.531 3.497 10 0 EGAEHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)CC(C)(C)C ZINC001483848081 1395114841 /nfs/dbraw/zinc/11/48/41/1395114841.db2.gz MABRXVZAXNCIIR-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)CC(C)(C)C ZINC001483848081 1395114843 /nfs/dbraw/zinc/11/48/43/1395114843.db2.gz MABRXVZAXNCIIR-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1)N(C)C ZINC001483933757 1395150582 /nfs/dbraw/zinc/15/05/82/1395150582.db2.gz GNQOFUQYENRVRS-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](c1ccc(Cl)cc1)N1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072192 1395234235 /nfs/dbraw/zinc/23/42/35/1395234235.db2.gz RPFNKWMKPZMQPW-DNVCBOLYSA-N 1 3 349.906 3.077 10 0 EGAEHO C[C@@H](c1ccc(Cl)cc1)N1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072196 1395234801 /nfs/dbraw/zinc/23/48/01/1395234801.db2.gz RPFNKWMKPZMQPW-HNAYVOBHSA-N 1 3 349.906 3.077 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484886418 1395585086 /nfs/dbraw/zinc/58/50/86/1395585086.db2.gz COIPXPQSSLRNTJ-ZGKJDNBHSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001485238658 1395731233 /nfs/dbraw/zinc/73/12/33/1395731233.db2.gz JEZGOTZTSAIDCK-SREVYHEPSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCCC[NH+]1CCC(C)(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001716797530 1420930248 /nfs/dbraw/zinc/93/02/48/1420930248.db2.gz ZNRWVDHFIISTIX-UHFFFAOYSA-N 1 3 325.541 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C)N(C)C ZINC001485583134 1396058122 /nfs/dbraw/zinc/05/81/22/1396058122.db2.gz YMXHEPHBCSLQEK-IAGOWNOFSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)CC1(C)C)N(C)C ZINC001485583134 1396058133 /nfs/dbraw/zinc/05/81/33/1396058133.db2.gz YMXHEPHBCSLQEK-IAGOWNOFSA-N 1 3 339.568 3.226 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001485703214 1396109161 /nfs/dbraw/zinc/10/91/61/1396109161.db2.gz SULYSCGHGFBFLA-SOAMZJECSA-N 1 3 345.531 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/c1ccccc1 ZINC001499955681 1396185340 /nfs/dbraw/zinc/18/53/40/1396185340.db2.gz WMQYTWGIXRZNJR-ACGJQVIASA-N 1 3 343.515 3.011 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001501392143 1396193776 /nfs/dbraw/zinc/19/37/76/1396193776.db2.gz WFVSEZVDYNQXGN-IWHMKIPHSA-N 1 3 347.547 3.282 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001501392143 1396193777 /nfs/dbraw/zinc/19/37/77/1396193777.db2.gz WFVSEZVDYNQXGN-IWHMKIPHSA-N 1 3 347.547 3.282 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001503764904 1396268626 /nfs/dbraw/zinc/26/86/26/1396268626.db2.gz XDRDWRHJCZJAIW-IHHMQQGQSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001495458082 1396536021 /nfs/dbraw/zinc/53/60/21/1396536021.db2.gz MKINJZFJDMTINR-BZSNNMDCSA-N 1 3 325.541 3.026 10 0 EGAEHO CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)[C@H](C(C)C)N(C)C ZINC001497406469 1396756557 /nfs/dbraw/zinc/75/65/57/1396756557.db2.gz MOMCEBMQJIJHLN-ICSRJNTNSA-N 1 3 347.547 3.389 10 0 EGAEHO CCc1ncc(C(=O)NCC=CC[NH2+]C2CCc3ccccc32)s1 ZINC001497767008 1396837331 /nfs/dbraw/zinc/83/73/31/1396837331.db2.gz VOWAKMXBNAPEOS-OGZRUICASA-N 1 3 341.480 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001689891215 1404187903 /nfs/dbraw/zinc/18/79/03/1404187903.db2.gz TTXNBDNSSMYIBW-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001689891215 1404187909 /nfs/dbraw/zinc/18/79/09/1404187909.db2.gz TTXNBDNSSMYIBW-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001690030809 1404269629 /nfs/dbraw/zinc/26/96/29/1404269629.db2.gz KGTBZCJGCRNXAT-UHFFFAOYSA-N 1 3 345.531 3.066 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154362 1404353442 /nfs/dbraw/zinc/35/34/42/1404353442.db2.gz ZBGUOEJPLLMIMG-WOJBJXKFSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170850 1404368874 /nfs/dbraw/zinc/36/88/74/1404368874.db2.gz BRBSEGCUXNKQMY-RBUKOAKNSA-N 1 3 349.563 3.170 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC)CC[C@@H]21 ZINC001690318443 1404476518 /nfs/dbraw/zinc/47/65/18/1404476518.db2.gz UAUHVFCVTXKKTL-MOPGFXCFSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC)CC[C@@H]21 ZINC001690318443 1404476519 /nfs/dbraw/zinc/47/65/19/1404476519.db2.gz UAUHVFCVTXKKTL-MOPGFXCFSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)=CC[NH2+]C1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001690541631 1404627259 /nfs/dbraw/zinc/62/72/59/1404627259.db2.gz JDLSRXVMWDEMMR-VIQWUECVSA-N 1 3 335.536 3.234 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757185 1404711399 /nfs/dbraw/zinc/71/13/99/1404711399.db2.gz CHQNBZIIRXOVRT-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001732001002 1428211429 /nfs/dbraw/zinc/21/14/29/1428211429.db2.gz PNTXHRCUXROIHB-IRXDYDNUSA-N 1 3 339.568 3.227 10 0 EGAEHO CN(CCNC(=O)CC[NH+](C)C)Cc1ccc(C2CCCCC2)cc1 ZINC001690973580 1404883398 /nfs/dbraw/zinc/88/33/98/1404883398.db2.gz MDBRCKAPTMQBLK-UHFFFAOYSA-N 1 3 345.531 3.234 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062629 1404987340 /nfs/dbraw/zinc/98/73/40/1404987340.db2.gz UNJDIHHMHXOXBE-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062629 1404987341 /nfs/dbraw/zinc/98/73/41/1404987341.db2.gz UNJDIHHMHXOXBE-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1Cc1cccc(C)c1 ZINC001691510614 1405311983 /nfs/dbraw/zinc/31/19/83/1405311983.db2.gz OJQMILZZTDDLLE-ZCNNSNEGSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1Cc1cccc(C)c1 ZINC001691510614 1405311990 /nfs/dbraw/zinc/31/19/90/1405311990.db2.gz OJQMILZZTDDLLE-ZCNNSNEGSA-N 1 3 345.531 3.050 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001691692017 1405426394 /nfs/dbraw/zinc/42/63/94/1405426394.db2.gz IJQFEGBOMDNFCR-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001691728337 1405451992 /nfs/dbraw/zinc/45/19/92/1405451992.db2.gz QGKMKEIYXXOXAA-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692129424 1405787790 /nfs/dbraw/zinc/78/77/90/1405787790.db2.gz UEJWAMOEZAFPLV-XOIGSVRCSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCCCF)CC(C)(C)C1 ZINC001692279763 1405913574 /nfs/dbraw/zinc/91/35/74/1405913574.db2.gz JVKVVARYUSTDQX-QGZVFWFLSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCCCF)CC(C)(C)C1 ZINC001692279763 1405913576 /nfs/dbraw/zinc/91/35/76/1405913576.db2.gz JVKVVARYUSTDQX-QGZVFWFLSA-N 1 3 343.531 3.073 10 0 EGAEHO CCCC[NH2+]CC1(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001732235967 1428482151 /nfs/dbraw/zinc/48/21/51/1428482151.db2.gz LDESDGDSXIBOOS-IBGZPJMESA-N 1 3 341.515 3.018 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001732307766 1428522590 /nfs/dbraw/zinc/52/25/90/1428522590.db2.gz MCQXDHPUSWWDJO-KZNAEPCWSA-N 1 3 341.515 3.016 10 0 EGAEHO C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)N1CCCCCC1 ZINC001732478376 1428604205 /nfs/dbraw/zinc/60/42/05/1428604205.db2.gz UHLWIBGUIZIBNK-PXNSSMCTSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001699680366 1413074729 /nfs/dbraw/zinc/07/47/29/1413074729.db2.gz NVILNNVNAIDAJG-LVCYASSMSA-N 1 3 347.547 3.330 10 0 EGAEHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001699847919 1413277275 /nfs/dbraw/zinc/27/72/75/1413277275.db2.gz ZSAXNCHOCKUKJT-FQEVSTJZSA-N 1 3 339.568 3.229 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001699877065 1413337477 /nfs/dbraw/zinc/33/74/77/1413337477.db2.gz PKWHCNROGFPQST-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001699877065 1413337479 /nfs/dbraw/zinc/33/74/79/1413337479.db2.gz PKWHCNROGFPQST-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C\CC[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700372985 1413901089 /nfs/dbraw/zinc/90/10/89/1413901089.db2.gz BQHNFRLBHPUKEF-WAYWQWQTSA-N 1 3 335.536 3.092 10 0 EGAEHO CN(CC(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001700399083 1413932629 /nfs/dbraw/zinc/93/26/29/1413932629.db2.gz XDCAQTDNOVRPRL-UHFFFAOYSA-N 1 3 339.568 3.275 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001700488261 1414138084 /nfs/dbraw/zinc/13/80/84/1414138084.db2.gz ULESUOBNKGFOTD-QGZVFWFLSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001700488261 1414138087 /nfs/dbraw/zinc/13/80/87/1414138087.db2.gz ULESUOBNKGFOTD-QGZVFWFLSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001700645237 1414310461 /nfs/dbraw/zinc/31/04/61/1414310461.db2.gz CMYMKVPNJKOCIW-FCGDIQPGSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001700766473 1414441933 /nfs/dbraw/zinc/44/19/33/1414441933.db2.gz GDPCIYKGIAFLBB-QFBILLFUSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001700766473 1414441935 /nfs/dbraw/zinc/44/19/35/1414441935.db2.gz GDPCIYKGIAFLBB-QFBILLFUSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767759 1414444112 /nfs/dbraw/zinc/44/41/12/1414444112.db2.gz LBJVTRXIWTXHAS-VQIMIIECSA-N 1 3 349.494 3.025 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC001700873589 1414527429 /nfs/dbraw/zinc/52/74/29/1414527429.db2.gz NJMSXEQODKNHHX-SLFFLAALSA-N 1 3 347.547 3.045 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001700922693 1414575018 /nfs/dbraw/zinc/57/50/18/1414575018.db2.gz DDESRFBGKBJCHH-QZTJIDSGSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C)N(C)C ZINC001700998193 1414648029 /nfs/dbraw/zinc/64/80/29/1414648029.db2.gz MNBMYGZDMMHANV-ZWKOTPCHSA-N 1 3 339.568 3.273 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)CN2CCC(C)CC2)c1 ZINC001732915389 1429046316 /nfs/dbraw/zinc/04/63/16/1429046316.db2.gz USOCUYFHQZDTRP-VZSQWMKGSA-N 1 3 343.515 3.050 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1 ZINC001733035863 1429161111 /nfs/dbraw/zinc/16/11/11/1429161111.db2.gz OUILUADHECNVPM-KOXHKMTQSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1 ZINC001733035863 1429161114 /nfs/dbraw/zinc/16/11/14/1429161114.db2.gz OUILUADHECNVPM-KOXHKMTQSA-N 1 3 343.515 3.011 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001707205286 1417244297 /nfs/dbraw/zinc/24/42/97/1417244297.db2.gz VXOUNOMVLHKCST-XUVXKRRUSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001707205286 1417244298 /nfs/dbraw/zinc/24/42/98/1417244298.db2.gz VXOUNOMVLHKCST-XUVXKRRUSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001733063637 1429215700 /nfs/dbraw/zinc/21/57/00/1429215700.db2.gz XNIABJMGHPJUNL-ZWKOTPCHSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001733063637 1429215701 /nfs/dbraw/zinc/21/57/01/1429215701.db2.gz XNIABJMGHPJUNL-ZWKOTPCHSA-N 1 3 333.520 3.143 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001713294435 1417921860 /nfs/dbraw/zinc/92/18/60/1417921860.db2.gz ZMDWIZPUMDOGBI-UHFFFAOYSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001713438693 1418071202 /nfs/dbraw/zinc/07/12/02/1418071202.db2.gz IKLKKIZYWKLFTQ-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001713438693 1418071207 /nfs/dbraw/zinc/07/12/07/1418071207.db2.gz IKLKKIZYWKLFTQ-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001733127894 1429254060 /nfs/dbraw/zinc/25/40/60/1429254060.db2.gz CQRHVGKZTFLYKT-HKUYNNGSSA-N 1 3 333.520 3.143 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)CN2CCCC2)cc1 ZINC001713664444 1418421943 /nfs/dbraw/zinc/42/19/43/1418421943.db2.gz SZLBUQVIHXORMR-KRWDZBQOSA-N 1 3 331.504 3.015 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978117 1418759205 /nfs/dbraw/zinc/75/92/05/1418759205.db2.gz MBYVPZSXYQLXHN-RBUKOAKNSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978117 1418759212 /nfs/dbraw/zinc/75/92/12/1418759212.db2.gz MBYVPZSXYQLXHN-RBUKOAKNSA-N 1 3 349.563 3.076 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001713988906 1418766846 /nfs/dbraw/zinc/76/68/46/1418766846.db2.gz KKQRGDAGNDEDLX-OKZBNKHCSA-N 1 3 343.515 3.086 10 0 EGAEHO CN(CC(=O)NCC[C@H]1CC[N@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001714881211 1419617846 /nfs/dbraw/zinc/61/78/46/1419617846.db2.gz HKKNSYUKMXUOOW-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CN(CC(=O)NCC[C@H]1CC[N@@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001714881211 1419617850 /nfs/dbraw/zinc/61/78/50/1419617850.db2.gz HKKNSYUKMXUOOW-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001733234225 1429371178 /nfs/dbraw/zinc/37/11/78/1429371178.db2.gz PIGXUSFXPMLPFB-IBGZPJMESA-N 1 3 347.547 3.023 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C/C=C/c2ccccc2)CCCC1 ZINC001715101129 1419841748 /nfs/dbraw/zinc/84/17/48/1419841748.db2.gz AUXYXZMCTFSKIO-FMIVXFBMSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001715159806 1419901311 /nfs/dbraw/zinc/90/13/11/1419901311.db2.gz GXZSFYHLKLNPOY-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CC2CCCCC2)CC1 ZINC001715177187 1419912956 /nfs/dbraw/zinc/91/29/56/1419912956.db2.gz DQBBXXMMEHWZCJ-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001715188132 1419920485 /nfs/dbraw/zinc/92/04/85/1419920485.db2.gz DOVHLCNQKFTKJW-FHWLQOOXSA-N 1 3 337.552 3.458 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001715252971 1419976926 /nfs/dbraw/zinc/97/69/26/1419976926.db2.gz GMNKGCBYZQVJQN-MJGOQNOKSA-N 1 3 349.563 3.172 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001716454784 1420669596 /nfs/dbraw/zinc/66/95/96/1420669596.db2.gz KFMHPCVMYJBNRI-PXNSSMCTSA-N 1 3 345.531 3.106 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509231 1420741128 /nfs/dbraw/zinc/74/11/28/1420741128.db2.gz YUXPSYPBEOHEBH-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509231 1420741129 /nfs/dbraw/zinc/74/11/29/1420741129.db2.gz YUXPSYPBEOHEBH-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509229 1420741163 /nfs/dbraw/zinc/74/11/63/1420741163.db2.gz YUXPSYPBEOHEBH-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509229 1420741164 /nfs/dbraw/zinc/74/11/64/1420741164.db2.gz YUXPSYPBEOHEBH-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001716900781 1421031574 /nfs/dbraw/zinc/03/15/74/1421031574.db2.gz UUBYNPAZMGSVPC-PZJWPPBQSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001716900781 1421031576 /nfs/dbraw/zinc/03/15/76/1421031576.db2.gz UUBYNPAZMGSVPC-PZJWPPBQSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001717004187 1421072949 /nfs/dbraw/zinc/07/29/49/1421072949.db2.gz ATAPAORLPFEMNE-VJANTYMQSA-N 1 3 337.552 3.027 10 0 EGAEHO CN(CC(=O)N1CC[C@H](CC[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001717088200 1421104778 /nfs/dbraw/zinc/10/47/78/1421104778.db2.gz QORQHQMUUZIBPU-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001717114732 1421118605 /nfs/dbraw/zinc/11/86/05/1421118605.db2.gz GGXJGBPMYKNUNY-SJORKVTESA-N 1 3 345.531 3.484 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197793 1421164611 /nfs/dbraw/zinc/16/46/11/1421164611.db2.gz FSUFUCFEAPEANH-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197793 1421164615 /nfs/dbraw/zinc/16/46/15/1421164615.db2.gz FSUFUCFEAPEANH-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCC1([NH2+]CC2CCCCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001717236098 1421204165 /nfs/dbraw/zinc/20/41/65/1421204165.db2.gz KDLSKKZTJXIUOB-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001717458045 1421387327 /nfs/dbraw/zinc/38/73/27/1421387327.db2.gz DMHRIAAOXDKKDF-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001717893868 1421692376 /nfs/dbraw/zinc/69/23/76/1421692376.db2.gz IEOZKYMCDBLBIE-ZWKOTPCHSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001718004219 1421770682 /nfs/dbraw/zinc/77/06/82/1421770682.db2.gz IORMZRLQILTVNT-HDICACEKSA-N 1 3 347.547 3.186 10 0 EGAEHO C[C@H](c1ccc(F)cc1)N1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459937 1429683925 /nfs/dbraw/zinc/68/39/25/1429683925.db2.gz ARJMENDGFCYIRJ-OXQOHEQNSA-N 1 3 349.494 3.057 10 0 EGAEHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001724224544 1424743125 /nfs/dbraw/zinc/74/31/25/1424743125.db2.gz ZWUJOUSARJDAAI-OAQYLSRUSA-N 1 3 347.547 3.189 10 0 EGAEHO CC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1CC ZINC001724511823 1424888538 /nfs/dbraw/zinc/88/85/38/1424888538.db2.gz MCSYIGFYKHJLSR-WOJBJXKFSA-N 1 3 345.531 3.279 10 0 EGAEHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001724612343 1424955251 /nfs/dbraw/zinc/95/52/51/1424955251.db2.gz HJFJQACNLFZJHS-GUDVDZBRSA-N 1 3 337.552 3.173 10 0 EGAEHO CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001733571086 1429774131 /nfs/dbraw/zinc/77/41/31/1429774131.db2.gz DAGZSXCWACGHDI-KDURUIRLSA-N 1 3 345.531 3.134 10 0 EGAEHO C[C@H](NC/C=C\Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745894 1425114958 /nfs/dbraw/zinc/11/49/58/1425114958.db2.gz UIDNFZGNGSPCPL-LCMUONCDSA-N 1 3 349.906 3.046 10 0 EGAEHO C[C@H](NC/C=C\Cl)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001724745894 1425114964 /nfs/dbraw/zinc/11/49/64/1425114964.db2.gz UIDNFZGNGSPCPL-LCMUONCDSA-N 1 3 349.906 3.046 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001724857815 1425233907 /nfs/dbraw/zinc/23/39/07/1425233907.db2.gz NSARPYLRCUZREZ-AZUAARDMSA-N 1 3 347.547 3.485 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001724857815 1425233912 /nfs/dbraw/zinc/23/39/12/1425233912.db2.gz NSARPYLRCUZREZ-AZUAARDMSA-N 1 3 347.547 3.485 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1=CCCCC1 ZINC001724862018 1425245091 /nfs/dbraw/zinc/24/50/91/1425245091.db2.gz XWXKUIDIKMRTNB-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1=CCCCC1 ZINC001724862018 1425245093 /nfs/dbraw/zinc/24/50/93/1425245093.db2.gz XWXKUIDIKMRTNB-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001724882399 1425263541 /nfs/dbraw/zinc/26/35/41/1425263541.db2.gz BDIYVDGSUMSCFJ-BBVFFXRHSA-N 1 3 337.552 3.290 10 0 EGAEHO CN(CC(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1)C1CCC1 ZINC001724956224 1425343185 /nfs/dbraw/zinc/34/31/85/1425343185.db2.gz LMMJRZPAHUDVDE-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725007206 1425421848 /nfs/dbraw/zinc/42/18/48/1425421848.db2.gz OQHLWCABDUQZID-CBVOVTJASA-N 1 3 341.515 3.040 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccccc2C)CCCCC1)N(C)C ZINC001725225085 1425794066 /nfs/dbraw/zinc/79/40/66/1425794066.db2.gz WXVYUJRCUXVTSU-LJQANCHMSA-N 1 3 345.531 3.244 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001725334219 1425978632 /nfs/dbraw/zinc/97/86/32/1425978632.db2.gz LXYGGNQRAAWUBM-FHWLQOOXSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001725334219 1425978633 /nfs/dbraw/zinc/97/86/33/1425978633.db2.gz LXYGGNQRAAWUBM-FHWLQOOXSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001725769943 1426453468 /nfs/dbraw/zinc/45/34/68/1426453468.db2.gz PPNNFVFXIKAFDN-DKFQHHCZSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001731377925 1427312471 /nfs/dbraw/zinc/31/24/71/1427312471.db2.gz OJUJXEJVBGEXPU-YSKLNCTFSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001731591461 1427633365 /nfs/dbraw/zinc/63/33/65/1427633365.db2.gz FYWBIBXPTIEYDM-PXNSSMCTSA-N 1 3 345.531 3.277 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)N2CCCCCC2)c(C)c1 ZINC001731621432 1427671886 /nfs/dbraw/zinc/67/18/86/1427671886.db2.gz DAYJGIFOBJGEDX-OALUTQOASA-N 1 3 345.531 3.162 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001731879769 1428149198 /nfs/dbraw/zinc/14/91/98/1428149198.db2.gz FOJBIPDTKOFYEU-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001731879769 1428149199 /nfs/dbraw/zinc/14/91/99/1428149199.db2.gz FOJBIPDTKOFYEU-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CCCCC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001733835664 1430107623 /nfs/dbraw/zinc/10/76/23/1430107623.db2.gz HSNBORKBRGHNNU-QGZVFWFLSA-N 1 3 343.515 3.150 10 0 EGAEHO CCCCC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001733835664 1430107626 /nfs/dbraw/zinc/10/76/26/1430107626.db2.gz HSNBORKBRGHNNU-QGZVFWFLSA-N 1 3 343.515 3.150 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCC1CCCCC1 ZINC001734053347 1437843560 /nfs/dbraw/zinc/84/35/60/1437843560.db2.gz MZPLMSKCEIHIAD-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCC1CCCCC1 ZINC001734053347 1437843561 /nfs/dbraw/zinc/84/35/61/1437843561.db2.gz MZPLMSKCEIHIAD-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734064471 1437859570 /nfs/dbraw/zinc/85/95/70/1437859570.db2.gz BZVFSSUNDARVHK-HUUCEWRRSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734064471 1437859572 /nfs/dbraw/zinc/85/95/72/1437859572.db2.gz BZVFSSUNDARVHK-HUUCEWRRSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CCC2CCCCC2)CC1 ZINC001734273108 1438005450 /nfs/dbraw/zinc/00/54/50/1438005450.db2.gz BULCEWWDWJGXKO-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CCC2CCCCC2)CC1 ZINC001734273108 1438005451 /nfs/dbraw/zinc/00/54/51/1438005451.db2.gz BULCEWWDWJGXKO-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001734571433 1438165362 /nfs/dbraw/zinc/16/53/62/1438165362.db2.gz URAZKXNDNOILEV-MSOLQXFVSA-N 1 3 337.552 3.312 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001750945219 1440118137 /nfs/dbraw/zinc/11/81/37/1440118137.db2.gz RQNBGOKBHARMSN-MRXNPFEDSA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001750945219 1440118138 /nfs/dbraw/zinc/11/81/38/1440118138.db2.gz RQNBGOKBHARMSN-MRXNPFEDSA-N 1 3 334.508 3.058 10 0 EGAEHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562084 299292104 /nfs/dbraw/zinc/29/21/04/299292104.db2.gz TZEGYJBNWOOEFH-DLBZAZTESA-N 1 3 339.524 3.240 10 0 EGAEHO C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562084 299292107 /nfs/dbraw/zinc/29/21/07/299292107.db2.gz TZEGYJBNWOOEFH-DLBZAZTESA-N 1 3 339.524 3.240 10 0 EGAEHO COc1ccc(-c2n[nH]cc2C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000376020652 168857681 /nfs/dbraw/zinc/85/76/81/168857681.db2.gz HBDNBJFHWAHCQP-UHFFFAOYSA-N 1 3 340.471 3.192 10 0 EGAEHO CCC1(CNCc2ccn(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000378261650 169093670 /nfs/dbraw/zinc/09/36/70/169093670.db2.gz UESNVTKDAUDPKN-UHFFFAOYSA-N 1 3 326.488 3.202 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189560866 153078304 /nfs/dbraw/zinc/07/83/04/153078304.db2.gz UDGWEJPXQNOFDL-GDBMZVCRSA-N 1 3 336.442 3.276 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189560866 153078311 /nfs/dbraw/zinc/07/83/11/153078311.db2.gz UDGWEJPXQNOFDL-GDBMZVCRSA-N 1 3 336.442 3.276 10 0 EGAEHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000092381388 161966027 /nfs/dbraw/zinc/96/60/27/161966027.db2.gz AQMJWKGYMCPJBI-UHFFFAOYSA-N 1 3 330.501 3.369 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248648335 163026327 /nfs/dbraw/zinc/02/63/27/163026327.db2.gz JPEUJAKVLPFPEO-HLAWJBBLSA-N 1 3 348.531 3.149 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248648335 163026331 /nfs/dbraw/zinc/02/63/31/163026331.db2.gz JPEUJAKVLPFPEO-HLAWJBBLSA-N 1 3 348.531 3.149 10 0 EGAEHO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)Cc1ccco1 ZINC000344076028 164098191 /nfs/dbraw/zinc/09/81/91/164098191.db2.gz DITRDDAAAYYESG-UHFFFAOYSA-N 1 3 349.519 3.072 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354993937 166082176 /nfs/dbraw/zinc/08/21/76/166082176.db2.gz PYUCLYBVWLVISE-IBGZPJMESA-N 1 3 329.488 3.138 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CCCCO2)CC1 ZINC000355764405 166301070 /nfs/dbraw/zinc/30/10/70/166301070.db2.gz HFZBRXFHMMLUTQ-HXUWFJFHSA-N 1 3 345.531 3.267 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000355764403 166301380 /nfs/dbraw/zinc/30/13/80/166301380.db2.gz HFZBRXFHMMLUTQ-FQEVSTJZSA-N 1 3 345.531 3.267 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000195181946 275231089 /nfs/dbraw/zinc/23/10/89/275231089.db2.gz JPEUJAKVLPFPEO-HMXCVIKNSA-N 1 3 348.531 3.149 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000195181946 275231090 /nfs/dbraw/zinc/23/10/90/275231090.db2.gz JPEUJAKVLPFPEO-HMXCVIKNSA-N 1 3 348.531 3.149 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000279767428 275357664 /nfs/dbraw/zinc/35/76/64/275357664.db2.gz SDHYVHLLOQGLCH-TYCQWZJGSA-N 1 3 326.484 3.158 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000279767428 275357667 /nfs/dbraw/zinc/35/76/67/275357667.db2.gz SDHYVHLLOQGLCH-TYCQWZJGSA-N 1 3 326.484 3.158 10 0 EGAEHO CC[NH+](CC)CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359592932 276095592 /nfs/dbraw/zinc/09/55/92/276095592.db2.gz AMBRLUNSZIKYRF-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000350185495 279092258 /nfs/dbraw/zinc/09/22/58/279092258.db2.gz VLJKHRHFLZGHHD-UHFFFAOYSA-N 1 3 332.488 3.402 10 0 EGAEHO CCN1CCN(CCC[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414298196 309071285 /nfs/dbraw/zinc/07/12/85/309071285.db2.gz ZBZBSFMUDBMHAR-UHFFFAOYSA-N 1 3 343.437 3.131 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C(F)(F)F)c(C)c1 ZINC000414360654 309075121 /nfs/dbraw/zinc/07/51/21/309075121.db2.gz GZUJJGRBHGTXNY-HNNXBMFYSA-N 1 3 332.410 3.460 10 0 EGAEHO C[N@H+]1CC=C(CN[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295409863 308324137 /nfs/dbraw/zinc/32/41/37/308324137.db2.gz MZHZQTGWKFJWAQ-OAHLLOKOSA-N 1 3 339.252 3.427 10 0 EGAEHO C[N@@H+]1CC=C(CN[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295409863 308324138 /nfs/dbraw/zinc/32/41/38/308324138.db2.gz MZHZQTGWKFJWAQ-OAHLLOKOSA-N 1 3 339.252 3.427 10 0 EGAEHO FC(F)Oc1c(Br)cccc1CNCC[C@H]1CC[NH2+]C1 ZINC000414827120 309104046 /nfs/dbraw/zinc/10/40/46/309104046.db2.gz GOLDCQYAFIEVGN-SNVBAGLBSA-N 1 3 349.219 3.140 10 0 EGAEHO N[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000414827089 309104138 /nfs/dbraw/zinc/10/41/38/309104138.db2.gz GMFDVXYRCSEIJS-NRFANRHFSA-N 1 3 341.474 3.122 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000414862241 309106157 /nfs/dbraw/zinc/10/61/57/309106157.db2.gz VICXGDKINHQCSH-HNNXBMFYSA-N 1 3 333.476 3.054 10 0 EGAEHO COc1cc(Br)ccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414970121 309112185 /nfs/dbraw/zinc/11/21/85/309112185.db2.gz JZMBGCLTYKFDGH-CQSZACIVSA-N 1 3 327.266 3.080 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415085347 309119359 /nfs/dbraw/zinc/11/93/59/309119359.db2.gz PZEKCNQIMFDSCK-DFEHZGFQSA-N 1 3 335.442 3.054 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000420297341 309279941 /nfs/dbraw/zinc/27/99/41/309279941.db2.gz CZBMMIMQSFBXEW-IBGZPJMESA-N 1 3 340.467 3.323 10 0 EGAEHO c1csc(-c2noc(CCCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000420394421 309286176 /nfs/dbraw/zinc/28/61/76/309286176.db2.gz KMDKNLCBOXIWKU-GJZGRUSLSA-N 1 3 346.500 3.195 10 0 EGAEHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422700255 309363849 /nfs/dbraw/zinc/36/38/49/309363849.db2.gz BVCAJCJSHZZTKJ-WOJBJXKFSA-N 1 3 325.456 3.410 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422752889 309366576 /nfs/dbraw/zinc/36/65/76/309366576.db2.gz HSQXUZXJLJLPMS-AWEZNQCLSA-N 1 3 337.471 3.248 10 0 EGAEHO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422935406 309376939 /nfs/dbraw/zinc/37/69/39/309376939.db2.gz AIPSNAFPGDDWJM-AWEZNQCLSA-N 1 3 327.472 3.486 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)[C@H]1CCCNC1 ZINC000423204931 309390203 /nfs/dbraw/zinc/39/02/03/309390203.db2.gz AVRACNIWZKUSSD-AEGPPILISA-N 1 3 337.305 3.284 10 0 EGAEHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)NCC2C[NH2+]C2)nc1 ZINC000423312805 309394808 /nfs/dbraw/zinc/39/48/08/309394808.db2.gz DQYLMAZEDNSKHD-HXUWFJFHSA-N 1 3 343.902 3.260 10 0 EGAEHO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CC2CNC2)nc1 ZINC000423312805 309394809 /nfs/dbraw/zinc/39/48/09/309394809.db2.gz DQYLMAZEDNSKHD-HXUWFJFHSA-N 1 3 343.902 3.260 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc2c1CCCN2 ZINC000423408323 309398838 /nfs/dbraw/zinc/39/88/38/309398838.db2.gz ACDMIHZHYKCHQJ-IRLDBZIGSA-N 1 3 349.478 3.390 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCNC[C@H]1C ZINC000423405423 309398863 /nfs/dbraw/zinc/39/88/63/309398863.db2.gz TXPJYGXMSUDDAN-HFAKWTLXSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423405423 309398864 /nfs/dbraw/zinc/39/88/64/309398864.db2.gz TXPJYGXMSUDDAN-HFAKWTLXSA-N 1 3 329.257 3.107 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2c1CCCN2 ZINC000423408325 309398933 /nfs/dbraw/zinc/39/89/33/309398933.db2.gz ACDMIHZHYKCHQJ-RBBKRZOGSA-N 1 3 349.478 3.390 10 0 EGAEHO CC[NH+](CC)CC1CCN(C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424446874 309444114 /nfs/dbraw/zinc/44/41/14/309444114.db2.gz SJKQLSWDVFOARS-UHFFFAOYSA-N 1 3 332.492 3.039 10 0 EGAEHO CCN1CCC([NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449064967 310034058 /nfs/dbraw/zinc/03/40/58/310034058.db2.gz RHAXFFLUESLINL-SFHVURJKSA-N 1 3 329.532 3.156 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000449076751 310035100 /nfs/dbraw/zinc/03/51/00/310035100.db2.gz XVYBVVYTKWWRMA-GOSISDBHSA-N 1 3 341.543 3.298 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000449168269 310041836 /nfs/dbraw/zinc/04/18/36/310041836.db2.gz CZGZYQHDBAEPAH-LQWHRVPQSA-N 1 3 329.532 3.154 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000449168270 310041883 /nfs/dbraw/zinc/04/18/83/310041883.db2.gz CZGZYQHDBAEPAH-LVCYWYKZSA-N 1 3 329.532 3.154 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000449187620 310043268 /nfs/dbraw/zinc/04/32/68/310043268.db2.gz KZZYUYNELNQHSX-UZLBHIALSA-N 1 3 338.499 3.472 10 0 EGAEHO CNC(=O)[C@@H]1CCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212066 310044841 /nfs/dbraw/zinc/04/48/41/310044841.db2.gz IJAFNSPWSIYDFJ-IAGOWNOFSA-N 1 3 337.552 3.170 10 0 EGAEHO CCOC(=O)C1(CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449250154 310047655 /nfs/dbraw/zinc/04/76/55/310047655.db2.gz OBGYLLQYDTULAW-KRWDZBQOSA-N 1 3 344.499 3.015 10 0 EGAEHO Cc1cc([C@@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)ccc1F ZINC000539164606 314299704 /nfs/dbraw/zinc/29/97/04/314299704.db2.gz XGLPYCSTVIFNKV-FQEVSTJZSA-N 1 3 333.495 3.202 10 0 EGAEHO Cc1cc([C@@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)ccc1F ZINC000539199814 314301067 /nfs/dbraw/zinc/30/10/67/314301067.db2.gz LZSFREULEOQXHJ-FQEVSTJZSA-N 1 3 333.495 3.202 10 0 EGAEHO O=C(CCNCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1 ZINC000548825849 315052602 /nfs/dbraw/zinc/05/26/02/315052602.db2.gz COEGROQFTMVPGD-UHFFFAOYSA-N 1 3 337.467 3.401 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000552998274 315240627 /nfs/dbraw/zinc/24/06/27/315240627.db2.gz ZCCWIVIAEVFWJG-QZTJIDSGSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000552998274 315240630 /nfs/dbraw/zinc/24/06/30/315240630.db2.gz ZCCWIVIAEVFWJG-QZTJIDSGSA-N 1 3 343.515 3.019 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000569940864 316986807 /nfs/dbraw/zinc/98/68/07/316986807.db2.gz IYBIOPXDJIMBTO-GQGSAGHOSA-N 1 3 341.421 3.099 10 0 EGAEHO CCC1(CNC[C@H](O)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000579228519 325080536 /nfs/dbraw/zinc/08/05/36/325080536.db2.gz QVOMTNKUBWNTDZ-INIZCTEOSA-N 1 3 344.421 3.192 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)CC1(C)C ZINC000623470278 460565627 /nfs/dbraw/zinc/56/56/27/460565627.db2.gz HGOUHPAQXCNIOF-IBGZPJMESA-N 1 3 346.515 3.345 10 0 EGAEHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000623477850 460570487 /nfs/dbraw/zinc/57/04/87/460570487.db2.gz ULXLXQAMISBJPO-JLSDUUJJSA-N 1 3 337.458 3.172 10 0 EGAEHO C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C1CC1 ZINC000245671710 455353312 /nfs/dbraw/zinc/35/33/12/455353312.db2.gz HLABVCPMWARIRF-YRLHULLVSA-N 1 3 327.516 3.254 10 0 EGAEHO Cc1ccc(CNCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000069490712 454111924 /nfs/dbraw/zinc/11/19/24/454111924.db2.gz KBAJKBQUNHLMOX-HXUWFJFHSA-N 1 3 328.456 3.123 10 0 EGAEHO Cc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc(C)c1O ZINC000069711367 454136127 /nfs/dbraw/zinc/13/61/27/454136127.db2.gz BGHREVOLTPKQOT-UHFFFAOYSA-N 1 3 328.456 3.239 10 0 EGAEHO COc1ccc([C@@H]2[C@@H](CN[C@@H](C)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000095982626 454249660 /nfs/dbraw/zinc/24/96/60/454249660.db2.gz QERKCKAFEGHNIQ-QKYXUNIQSA-N 1 3 325.456 3.434 10 0 EGAEHO COc1ccc([C@@H]2[C@@H](CN[C@@H](C)c3ccncc3)CC[N@H+]2C)cc1 ZINC000095982626 454249666 /nfs/dbraw/zinc/24/96/66/454249666.db2.gz QERKCKAFEGHNIQ-QKYXUNIQSA-N 1 3 325.456 3.434 10 0 EGAEHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000132532904 454347252 /nfs/dbraw/zinc/34/72/52/454347252.db2.gz QSEPBDIKJIROJA-WOJBJXKFSA-N 1 3 339.483 3.448 10 0 EGAEHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1OC ZINC000133118308 454394109 /nfs/dbraw/zinc/39/41/09/454394109.db2.gz JYGRVNVLFSSYJB-QFBILLFUSA-N 1 3 332.488 3.237 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000081094898 454685424 /nfs/dbraw/zinc/68/54/24/454685424.db2.gz KXHATTPSJKTVMA-HUUCEWRRSA-N 1 3 348.516 3.393 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000081094898 454685429 /nfs/dbraw/zinc/68/54/29/454685429.db2.gz KXHATTPSJKTVMA-HUUCEWRRSA-N 1 3 348.516 3.393 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000245432600 455297969 /nfs/dbraw/zinc/29/79/69/455297969.db2.gz OSCZJEJDNYFADX-WMZOPIPTSA-N 1 3 342.487 3.331 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000245432600 455297976 /nfs/dbraw/zinc/29/79/76/455297976.db2.gz OSCZJEJDNYFADX-WMZOPIPTSA-N 1 3 342.487 3.331 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000268171132 455609256 /nfs/dbraw/zinc/60/92/56/455609256.db2.gz PSGXRUCNILCUNQ-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000268171132 455609261 /nfs/dbraw/zinc/60/92/61/455609261.db2.gz PSGXRUCNILCUNQ-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO C[C@H]1CCC[N@H+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192476922 455627617 /nfs/dbraw/zinc/62/76/17/455627617.db2.gz PEWHBMMIVAMKBX-HNNXBMFYSA-N 1 3 347.528 3.202 10 0 EGAEHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192476922 455627620 /nfs/dbraw/zinc/62/76/20/455627620.db2.gz PEWHBMMIVAMKBX-HNNXBMFYSA-N 1 3 347.528 3.202 10 0 EGAEHO CC1CC[NH+](CCCCNCc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192477575 455627753 /nfs/dbraw/zinc/62/77/53/455627753.db2.gz ZEQDQMNDZFXITM-UHFFFAOYSA-N 1 3 347.528 3.202 10 0 EGAEHO c1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000192787163 455693306 /nfs/dbraw/zinc/69/33/06/455693306.db2.gz ZWCTVRMAGPCTKS-AYHJJNSGSA-N 1 3 327.497 3.471 10 0 EGAEHO c1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000192787163 455693311 /nfs/dbraw/zinc/69/33/11/455693311.db2.gz ZWCTVRMAGPCTKS-AYHJJNSGSA-N 1 3 327.497 3.471 10 0 EGAEHO CC[N@@H+]1CC[C@@H](NCCN2CCc3c(Cl)cccc3C2)[C@H](C)C1 ZINC000188000896 455978278 /nfs/dbraw/zinc/97/82/78/455978278.db2.gz KCPVECSVZGCZLY-DNVCBOLYSA-N 1 3 335.923 3.018 10 0 EGAEHO CC[N@H+]1CC[C@@H](NCCN2CCc3c(Cl)cccc3C2)[C@H](C)C1 ZINC000188000896 455978286 /nfs/dbraw/zinc/97/82/86/455978286.db2.gz KCPVECSVZGCZLY-DNVCBOLYSA-N 1 3 335.923 3.018 10 0 EGAEHO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000620625270 460710735 /nfs/dbraw/zinc/71/07/35/460710735.db2.gz FNDVXVHQENPUQB-UHFFFAOYSA-N 1 3 331.504 3.133 10 0 EGAEHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000620625270 460710741 /nfs/dbraw/zinc/71/07/41/460710741.db2.gz FNDVXVHQENPUQB-UHFFFAOYSA-N 1 3 331.504 3.133 10 0 EGAEHO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(CN2CCCC2)c1 ZINC000297255950 456164207 /nfs/dbraw/zinc/16/42/07/456164207.db2.gz UIZIOTDJDDRQPD-UHFFFAOYSA-N 1 3 341.499 3.029 10 0 EGAEHO CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cn1 ZINC000273190119 456208113 /nfs/dbraw/zinc/20/81/13/456208113.db2.gz GPVTVYMDMSJMIV-RCVZYCBYSA-N 1 3 338.499 3.464 10 0 EGAEHO C[C@@H](NCc1ccc2cncn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297486362 456232469 /nfs/dbraw/zinc/23/24/69/456232469.db2.gz KCKHPDCHRYILKD-YLJYHZDGSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H](NCc1ccc2cncn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297486362 456232474 /nfs/dbraw/zinc/23/24/74/456232474.db2.gz KCKHPDCHRYILKD-YLJYHZDGSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc2cncn2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297486362 456232477 /nfs/dbraw/zinc/23/24/77/456232477.db2.gz KCKHPDCHRYILKD-YLJYHZDGSA-N 1 3 334.467 3.335 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000352836773 456351567 /nfs/dbraw/zinc/35/15/67/456351567.db2.gz XNOJMAFLQGFCCQ-QFBILLFUSA-N 1 3 343.515 3.060 10 0 EGAEHO Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000301185796 456816589 /nfs/dbraw/zinc/81/65/89/456816589.db2.gz JVIQEVGSPVVCMV-SFHVURJKSA-N 1 3 338.499 3.150 10 0 EGAEHO Cc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000301185796 456816594 /nfs/dbraw/zinc/81/65/94/456816594.db2.gz JVIQEVGSPVVCMV-SFHVURJKSA-N 1 3 338.499 3.150 10 0 EGAEHO c1cc(-c2ccc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)o2)n[nH]1 ZINC000355221074 457348522 /nfs/dbraw/zinc/34/85/22/457348522.db2.gz NTRIVFRZGMPBEE-QGZVFWFLSA-N 1 3 336.439 3.281 10 0 EGAEHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397497236 457487569 /nfs/dbraw/zinc/48/75/69/457487569.db2.gz CHGSTZJBIIDKAY-HBFSDRIKSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397554946 457488392 /nfs/dbraw/zinc/48/83/92/457488392.db2.gz KVVSYUPLVDGHIU-IEBWSBKVSA-N 1 3 330.516 3.428 10 0 EGAEHO CC(C)n1cncc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397545093 457488577 /nfs/dbraw/zinc/48/85/77/457488577.db2.gz NSAKREIWTJELBM-UHFFFAOYSA-N 1 3 326.488 3.466 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000397573518 457488926 /nfs/dbraw/zinc/48/89/26/457488926.db2.gz ZUZCRCSHUQWBNJ-GGPKGHCWSA-N 1 3 330.516 3.428 10 0 EGAEHO CS[C@H]1CC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000425363755 457519643 /nfs/dbraw/zinc/51/96/43/457519643.db2.gz YAVOLEBIGIDKBX-PMACEKPBSA-N 1 3 347.572 3.068 10 0 EGAEHO C[C@@H]1CC[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000361340330 457699192 /nfs/dbraw/zinc/69/91/92/457699192.db2.gz COLHUJRVMZPTCW-UZLBHIALSA-N 1 3 343.515 3.157 10 0 EGAEHO CC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(OC)c1 ZINC000358246200 457883872 /nfs/dbraw/zinc/88/38/72/457883872.db2.gz JUPPMRHNILBLNC-IBGZPJMESA-N 1 3 343.471 3.272 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C[C@@H](C)O1 ZINC000361889983 457932986 /nfs/dbraw/zinc/93/29/86/457932986.db2.gz RZQAUBPIBRHZND-OUUBHVDSSA-N 1 3 338.536 3.061 10 0 EGAEHO CN(C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000358603073 458103218 /nfs/dbraw/zinc/10/32/18/458103218.db2.gz PRPFYRLAEGGDAL-UHFFFAOYSA-N 1 3 347.503 3.078 10 0 EGAEHO CCC[NH+]1CCC(CNC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000446571728 458199162 /nfs/dbraw/zinc/19/91/62/458199162.db2.gz GXBBFJKSSRKQDE-UHFFFAOYSA-N 1 3 346.519 3.034 10 0 EGAEHO CC(C)N(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000428849290 458222342 /nfs/dbraw/zinc/22/23/42/458222342.db2.gz KCIFGVBUVJOPRQ-KRWDZBQOSA-N 1 3 343.515 3.201 10 0 EGAEHO OC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000447578154 458314965 /nfs/dbraw/zinc/31/49/65/458314965.db2.gz DAHBRACJOIFKNF-LUKYLMHMSA-N 1 3 342.405 3.085 10 0 EGAEHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423452681 458435732 /nfs/dbraw/zinc/43/57/32/458435732.db2.gz WOHMAZKTXOQINY-PMPSAXMXSA-N 1 3 338.455 3.300 10 0 EGAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc4cncn4c3)CC2)C1 ZINC000459663291 458440052 /nfs/dbraw/zinc/44/00/52/458440052.db2.gz WTVWMGNUIKHCSQ-VQIMIIECSA-N 1 3 326.488 3.467 10 0 EGAEHO CC(C)c1nc([C@H](C)NC2CCC([NH+]3CCNCC3)CC2)cs1 ZINC000423525677 458451660 /nfs/dbraw/zinc/45/16/60/458451660.db2.gz YKSZRBAAFRAEMZ-FHERZECASA-N 1 3 336.549 3.134 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C[C@H]1C ZINC000423527021 458452003 /nfs/dbraw/zinc/45/20/03/458452003.db2.gz LWZRCZGENKAULA-PBBQMCQCSA-N 1 3 348.531 3.098 10 0 EGAEHO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000459746975 458467539 /nfs/dbraw/zinc/46/75/39/458467539.db2.gz ZIYMFDPSIWEDMV-ZBFHGGJFSA-N 1 3 333.476 3.036 10 0 EGAEHO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1NC(C)=O ZINC000459746975 458467540 /nfs/dbraw/zinc/46/75/40/458467540.db2.gz ZIYMFDPSIWEDMV-ZBFHGGJFSA-N 1 3 333.476 3.036 10 0 EGAEHO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000377799637 458532711 /nfs/dbraw/zinc/53/27/11/458532711.db2.gz XFRXRLBESGPWPQ-CADBVGFASA-N 1 3 336.483 3.052 10 0 EGAEHO c1nc2c([nH]1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000377799637 458532715 /nfs/dbraw/zinc/53/27/15/458532715.db2.gz XFRXRLBESGPWPQ-CADBVGFASA-N 1 3 336.483 3.052 10 0 EGAEHO CCN(CC)Cc1cc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216949 458720202 /nfs/dbraw/zinc/72/02/02/458720202.db2.gz QYQBOROPVOCMIJ-UZLBHIALSA-N 1 3 345.531 3.472 10 0 EGAEHO CCC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000519603680 458972011 /nfs/dbraw/zinc/97/20/11/458972011.db2.gz ULZJJZVFWRUOFB-ZHALLVOQSA-N 1 3 331.504 3.059 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@H](C)[C@H]3C)CC2)CC1 ZINC000520607194 459077536 /nfs/dbraw/zinc/07/75/36/459077536.db2.gz BLJXYCLSLPCIHC-FGTMMUONSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CCCC1 ZINC000480146125 459185702 /nfs/dbraw/zinc/18/57/02/459185702.db2.gz VWZPZRLPZWRYLC-ICSRJNTNSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCCC1 ZINC000480161538 459186317 /nfs/dbraw/zinc/18/63/17/459186317.db2.gz RYAUGVPTRPJUNQ-TZIWHRDSSA-N 1 3 329.532 3.363 10 0 EGAEHO C[C@H](C[C@H](C)[NH3+])NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350941 459717584 /nfs/dbraw/zinc/71/75/84/459717584.db2.gz JFGYGRVPOGSWIF-LSDHHAIUSA-N 1 3 327.476 3.276 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000527752547 459724630 /nfs/dbraw/zinc/72/46/30/459724630.db2.gz OFXAYHSSIPBZHO-HXUWFJFHSA-N 1 3 339.487 3.072 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CNC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527752547 459724633 /nfs/dbraw/zinc/72/46/33/459724633.db2.gz OFXAYHSSIPBZHO-HXUWFJFHSA-N 1 3 339.487 3.072 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CNC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527752547 459724637 /nfs/dbraw/zinc/72/46/37/459724637.db2.gz OFXAYHSSIPBZHO-HXUWFJFHSA-N 1 3 339.487 3.072 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000527752545 459725376 /nfs/dbraw/zinc/72/53/76/459725376.db2.gz OFXAYHSSIPBZHO-FQEVSTJZSA-N 1 3 339.487 3.072 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CNC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527752545 459725382 /nfs/dbraw/zinc/72/53/82/459725382.db2.gz OFXAYHSSIPBZHO-FQEVSTJZSA-N 1 3 339.487 3.072 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CNC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527752545 459725389 /nfs/dbraw/zinc/72/53/89/459725389.db2.gz OFXAYHSSIPBZHO-FQEVSTJZSA-N 1 3 339.487 3.072 10 0 EGAEHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527889059 459766367 /nfs/dbraw/zinc/76/63/67/459766367.db2.gz XXJGCGBIVZXCOD-MRXNPFEDSA-N 1 3 326.488 3.470 10 0 EGAEHO C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccccc1 ZINC000628544273 460453641 /nfs/dbraw/zinc/45/36/41/460453641.db2.gz YJBZLFSXOVSFDL-VQTJNVASSA-N 1 3 343.515 3.203 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CC1(C)C ZINC000623386359 460521315 /nfs/dbraw/zinc/52/13/15/460521315.db2.gz SRRUGVPICFFCOX-DLBZAZTESA-N 1 3 335.561 3.423 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623425272 460542570 /nfs/dbraw/zinc/54/25/70/460542570.db2.gz WXNLHLUDIQTALO-OAHLLOKOSA-N 1 3 330.501 3.210 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623425272 460542577 /nfs/dbraw/zinc/54/25/77/460542577.db2.gz WXNLHLUDIQTALO-OAHLLOKOSA-N 1 3 330.501 3.210 10 0 EGAEHO Cc1cc2c(c(-c3ccccc3CN3CCN(C)CC3)c1)CC[NH2+]C2 ZINC000629736244 460897523 /nfs/dbraw/zinc/89/75/23/460897523.db2.gz MLXXVAHZHIBVAW-UHFFFAOYSA-N 1 3 335.495 3.055 10 0 EGAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624310828 460952990 /nfs/dbraw/zinc/95/29/90/460952990.db2.gz LGPAMNIJBMSNQD-JRSUCEMESA-N 1 3 328.500 3.302 10 0 EGAEHO COCCNC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000652344890 461140496 /nfs/dbraw/zinc/14/04/96/461140496.db2.gz OLRYTZGLVWHYCO-UHFFFAOYSA-N 1 3 344.421 3.338 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662297202 461174817 /nfs/dbraw/zinc/17/48/17/461174817.db2.gz OIIYZOJTHMKDKQ-HKUYNNGSSA-N 1 3 343.515 3.140 10 0 EGAEHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc2ccccc21 ZINC000668302971 461237733 /nfs/dbraw/zinc/23/77/33/461237733.db2.gz VUWXTZSCNTVAMS-UHFFFAOYSA-N 1 3 347.890 3.059 10 0 EGAEHO C[N@@H+]1C[C@@H](CNCc2ccc(-n3cccn3)cc2)[C@H](c2ccccc2)C1 ZINC000647248741 461587876 /nfs/dbraw/zinc/58/78/76/461587876.db2.gz ZDEAWAVWJBLRIU-IRLDBZIGSA-N 1 3 346.478 3.307 10 0 EGAEHO C[N@H+]1C[C@@H](CNCc2ccc(-n3cccn3)cc2)[C@H](c2ccccc2)C1 ZINC000647248741 461587887 /nfs/dbraw/zinc/58/78/87/461587887.db2.gz ZDEAWAVWJBLRIU-IRLDBZIGSA-N 1 3 346.478 3.307 10 0 EGAEHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199757 461643641 /nfs/dbraw/zinc/64/36/41/461643641.db2.gz BZDVBQSRFMOXMG-LSDHHAIUSA-N 1 3 328.378 3.476 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542877 461757633 /nfs/dbraw/zinc/75/76/33/461757633.db2.gz DHFSOZBDVJGEHN-DLBZAZTESA-N 1 3 342.512 3.417 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800432 461843888 /nfs/dbraw/zinc/84/38/88/461843888.db2.gz BAFLQUFBFDALMM-CJNGLKHVSA-N 1 3 343.496 3.443 10 0 EGAEHO CO[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000639330886 461864531 /nfs/dbraw/zinc/86/45/31/461864531.db2.gz YFQFJOXCBFRWPG-UXHICEINSA-N 1 3 328.500 3.303 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)c1sc(CCOC)nc1C ZINC000650757299 461937808 /nfs/dbraw/zinc/93/78/08/461937808.db2.gz UFSUGZDUTPXSLG-CYBMUJFWSA-N 1 3 333.501 3.211 10 0 EGAEHO Cc1ccc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)[nH]c2c1 ZINC000657399848 462098545 /nfs/dbraw/zinc/09/85/45/462098545.db2.gz JKNXFRDFHOKBIL-LEWJYISDSA-N 1 3 341.499 3.334 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc4cc[nH]c43)cc2)C1 ZINC000657596627 462196484 /nfs/dbraw/zinc/19/64/84/462196484.db2.gz XZVRMXRUFGFICT-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4cc[nH]c43)cc2)C1 ZINC000657596627 462196492 /nfs/dbraw/zinc/19/64/92/462196492.db2.gz XZVRMXRUFGFICT-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO CC1(C)C[N@@H+]([C@@H]2CCOC2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837092 462210616 /nfs/dbraw/zinc/21/06/16/462210616.db2.gz MMCFCVMBRWNGTF-UXHICEINSA-N 1 3 328.500 3.398 10 0 EGAEHO CC1(C)C[N@H+]([C@@H]2CCOC2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837092 462210619 /nfs/dbraw/zinc/21/06/19/462210619.db2.gz MMCFCVMBRWNGTF-UXHICEINSA-N 1 3 328.500 3.398 10 0 EGAEHO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772185 462260110 /nfs/dbraw/zinc/26/01/10/462260110.db2.gz SESOBZZBBRIHPT-IBGZPJMESA-N 1 3 338.499 3.418 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000648817374 462290805 /nfs/dbraw/zinc/29/08/05/462290805.db2.gz PNCYHFPLNQAZNA-UHFFFAOYSA-N 1 3 342.430 3.267 10 0 EGAEHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000657873923 462304800 /nfs/dbraw/zinc/30/48/00/462304800.db2.gz OPDFBCSXFTYYTE-GOSISDBHSA-N 1 3 334.529 3.019 10 0 EGAEHO c1ccc2c(CCN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232891 462360985 /nfs/dbraw/zinc/36/09/85/462360985.db2.gz XGMSEDFKNYXKDA-NQIIRXRSSA-N 1 3 349.434 3.216 10 0 EGAEHO CCc1cccnc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658068767 462366430 /nfs/dbraw/zinc/36/64/30/462366430.db2.gz ZEJRGGGQVYLTCF-INIZCTEOSA-N 1 3 331.504 3.186 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000658097546 462383344 /nfs/dbraw/zinc/38/33/44/462383344.db2.gz UOAIFPBPSAOARD-DBVUQKKJSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000658097546 462383349 /nfs/dbraw/zinc/38/33/49/462383349.db2.gz UOAIFPBPSAOARD-DBVUQKKJSA-N 1 3 338.536 3.061 10 0 EGAEHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc2ccccc2n1 ZINC000658106230 462386207 /nfs/dbraw/zinc/38/62/07/462386207.db2.gz GQCBKTNHAUSVAX-DLBZAZTESA-N 1 3 328.504 3.157 10 0 EGAEHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138820 462402919 /nfs/dbraw/zinc/40/29/19/462402919.db2.gz OLDAUFSODCDRRD-JXFKEZNVSA-N 1 3 342.458 3.113 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)C1 ZINC000658142623 462405699 /nfs/dbraw/zinc/40/56/99/462405699.db2.gz ZEPVLZVECWGSPM-DAWZGUTISA-N 1 3 338.442 3.167 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139848 462447000 /nfs/dbraw/zinc/44/70/00/462447000.db2.gz XCJSJKQBJKCGEV-OAQYLSRUSA-N 1 3 344.547 3.320 10 0 EGAEHO Cc1cncc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000658262304 462447143 /nfs/dbraw/zinc/44/71/43/462447143.db2.gz QIYAICBBMNSOAJ-GOSISDBHSA-N 1 3 338.499 3.013 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@]3(CCN(CCC[C@@H]4CCOC4)C3)C2)cc1 ZINC000645910628 462464976 /nfs/dbraw/zinc/46/49/76/462464976.db2.gz SNEDZFWTYPPQMQ-NHCUHLMSSA-N 1 3 328.500 3.401 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCC[C@@H]4CCOC4)C3)C2)cc1 ZINC000645910628 462464978 /nfs/dbraw/zinc/46/49/78/462464978.db2.gz SNEDZFWTYPPQMQ-NHCUHLMSSA-N 1 3 328.500 3.401 10 0 EGAEHO C[C@H](COCc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000390557221 547828318 /nfs/dbraw/zinc/82/83/18/547828318.db2.gz IKWDUACUEKYQCG-QGZVFWFLSA-N 1 3 325.456 3.245 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000677521288 549284476 /nfs/dbraw/zinc/28/44/76/549284476.db2.gz QQCRYXPISBKFNI-HXUWFJFHSA-N 1 3 325.456 3.263 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000678277712 549455766 /nfs/dbraw/zinc/45/57/66/549455766.db2.gz NHMAFYFZWIMGSM-FQEVSTJZSA-N 1 3 332.488 3.020 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000678277712 549455770 /nfs/dbraw/zinc/45/57/70/549455770.db2.gz NHMAFYFZWIMGSM-FQEVSTJZSA-N 1 3 332.488 3.020 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000680001915 549803990 /nfs/dbraw/zinc/80/39/90/549803990.db2.gz PJKJGKIDJIJFSA-FQEVSTJZSA-N 1 3 339.483 3.087 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000680001915 549803993 /nfs/dbraw/zinc/80/39/93/549803993.db2.gz PJKJGKIDJIJFSA-FQEVSTJZSA-N 1 3 339.483 3.087 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000681976530 550056919 /nfs/dbraw/zinc/05/69/19/550056919.db2.gz XMJSASCVDPEZQK-AQNXPRMDSA-N 1 3 327.516 3.081 10 0 EGAEHO CN1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)(N2CCCCC2)CC1 ZINC000683930257 550275009 /nfs/dbraw/zinc/27/50/09/550275009.db2.gz YBOJWBBTGCMTDP-UHFFFAOYSA-N 1 3 340.515 3.208 10 0 EGAEHO Cc1ccccc1[C@@H](O)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743872828 576818048 /nfs/dbraw/zinc/81/80/48/576818048.db2.gz ATQYZSXOFSMYAQ-IRLDBZIGSA-N 1 3 338.495 3.482 10 0 EGAEHO Cc1ccccc1[C@@H](O)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743872828 576818049 /nfs/dbraw/zinc/81/80/49/576818049.db2.gz ATQYZSXOFSMYAQ-IRLDBZIGSA-N 1 3 338.495 3.482 10 0 EGAEHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160767515 1294277186 /nfs/dbraw/zinc/27/71/86/1294277186.db2.gz GKGCCIAICJAQGG-RXVVDRJESA-N 1 3 329.532 3.359 10 0 EGAEHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000872084013 1296724049 /nfs/dbraw/zinc/72/40/49/1296724049.db2.gz CMZVJERTJRJAIT-PMACEKPBSA-N 1 3 331.504 3.088 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCNCC1(C)C ZINC000311529997 1297108953 /nfs/dbraw/zinc/10/89/53/1297108953.db2.gz XTXVDMCTIJIYAU-SWLSCSKDSA-N 1 3 325.294 3.358 10 0 EGAEHO CCC[NH+]1CCC(N[C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401738018 1297741995 /nfs/dbraw/zinc/74/19/95/1297741995.db2.gz DJBBWXMODMTQTB-WBVHZDCISA-N 1 3 339.524 3.096 10 0 EGAEHO OC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886541607 1303492478 /nfs/dbraw/zinc/49/24/78/1303492478.db2.gz YJNBKXOMTXQZPE-FCMAGTKHSA-N 1 3 328.500 3.180 10 0 EGAEHO c1csc(C[NH+]2CCC(CNCc3nccn3C3CC3)CC2)c1 ZINC000892752281 1305539204 /nfs/dbraw/zinc/53/92/04/1305539204.db2.gz FFMAWFVXRZQADO-UHFFFAOYSA-N 1 3 330.501 3.281 10 0 EGAEHO C[C@H]1C[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559017 1309401361 /nfs/dbraw/zinc/40/13/61/1309401361.db2.gz YRISDDPUZDQKJR-OALUTQOASA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@H]1C[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559017 1309401366 /nfs/dbraw/zinc/40/13/66/1309401366.db2.gz YRISDDPUZDQKJR-OALUTQOASA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@H]1CN(C[C@@H]2CCN(c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000895559017 1309401373 /nfs/dbraw/zinc/40/13/73/1309401373.db2.gz YRISDDPUZDQKJR-OALUTQOASA-N 1 3 336.483 3.119 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000858227917 1328715697 /nfs/dbraw/zinc/71/56/97/1328715697.db2.gz SFJMSDRLCZYHJF-BBWFWOEESA-N 1 3 349.519 3.135 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000858227917 1328715703 /nfs/dbraw/zinc/71/57/03/1328715703.db2.gz SFJMSDRLCZYHJF-BBWFWOEESA-N 1 3 349.519 3.135 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)C2)cc1 ZINC000921670524 1322375897 /nfs/dbraw/zinc/37/58/97/1322375897.db2.gz GNIWDMIWBBSLND-YUMYIRISSA-N 1 3 342.527 3.346 10 0 EGAEHO CCc1nc(C(C)C)ccc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447436 1322753698 /nfs/dbraw/zinc/75/36/98/1322753698.db2.gz SQVZPHKGSJWTCJ-KRWDZBQOSA-N 1 3 331.504 3.097 10 0 EGAEHO CCc1cc2oc(=O)cc(CN3CC[C@@H](C[NH3+])[C@@H](C)C3)c2cc1Cl ZINC000923496590 1322761866 /nfs/dbraw/zinc/76/18/66/1322761866.db2.gz HYLQSEJCTMZWRY-JSGCOSHPSA-N 1 3 348.874 3.426 10 0 EGAEHO CCOC(=O)c1oc2ccccc2c1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499011 1322763070 /nfs/dbraw/zinc/76/30/70/1322763070.db2.gz PYUOSTJWVNZRIB-KBPBESRZSA-N 1 3 330.428 3.026 10 0 EGAEHO CCn1nc(C)c([C@@H](C)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000924864838 1323191565 /nfs/dbraw/zinc/19/15/65/1323191565.db2.gz CZGXGYMTDUFYOZ-CQSZACIVSA-N 1 3 347.532 3.231 10 0 EGAEHO COc1ccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cc1OC ZINC000925487526 1325172387 /nfs/dbraw/zinc/17/23/87/1325172387.db2.gz CYRXTKCHHMHZFN-MSOLQXFVSA-N 1 3 332.488 3.004 10 0 EGAEHO COc1cccc([C@H](CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)N(C)C)c1 ZINC000925493016 1325175442 /nfs/dbraw/zinc/17/54/42/1325175442.db2.gz JIPMYNWHMPDYTG-ACRUOGEOSA-N 1 3 345.531 3.056 10 0 EGAEHO C[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495054 1325177139 /nfs/dbraw/zinc/17/71/39/1325177139.db2.gz XBFYQRFBBPXEOJ-AYOQOUSVSA-N 1 3 347.572 3.253 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2)c1 ZINC000925502661 1325181346 /nfs/dbraw/zinc/18/13/46/1325181346.db2.gz GXQVHLFMFLEJCL-IKGGRYGDSA-N 1 3 331.504 3.160 10 0 EGAEHO CCOCCOCc1cccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548994 1325202537 /nfs/dbraw/zinc/20/25/37/1325202537.db2.gz WBHODQCPVQCNOO-OALUTQOASA-N 1 3 334.504 3.235 10 0 EGAEHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925557574 1325207972 /nfs/dbraw/zinc/20/79/72/1325207972.db2.gz POZQKJKWNPWCBH-PWRODBHTSA-N 1 3 343.515 3.280 10 0 EGAEHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925557573 1325208388 /nfs/dbraw/zinc/20/83/88/1325208388.db2.gz POZQKJKWNPWCBH-NJYVYQBISA-N 1 3 343.515 3.280 10 0 EGAEHO [NH3+][C@H]1C[C@H](NCCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658280 1325251444 /nfs/dbraw/zinc/25/14/44/1325251444.db2.gz WHUULOFQISPSRJ-GJZGRUSLSA-N 1 3 328.378 3.030 10 0 EGAEHO Cc1ccc(C[C@@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793500 1325304852 /nfs/dbraw/zinc/30/48/52/1325304852.db2.gz DFQABLXANGMXOX-WOJBJXKFSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1nc(C)c([C@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925808546 1325310406 /nfs/dbraw/zinc/31/04/06/1325310406.db2.gz MEBIIGCWFRGKOI-AWEZNQCLSA-N 1 3 344.528 3.016 10 0 EGAEHO CCC[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccn1 ZINC000925809656 1325311093 /nfs/dbraw/zinc/31/10/93/1325311093.db2.gz SGVGFECDYOZCNM-FQEVSTJZSA-N 1 3 338.499 3.118 10 0 EGAEHO Cn1nc(C(F)(F)F)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925836312 1325322310 /nfs/dbraw/zinc/32/23/10/1325322310.db2.gz ZDJSWETWVDFUHQ-CQSZACIVSA-N 1 3 326.366 3.009 10 0 EGAEHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1csc(C(F)(F)F)c1 ZINC000926356653 1325525945 /nfs/dbraw/zinc/52/59/45/1325525945.db2.gz IYCQDEBINJYBCA-LBPRGKRZSA-N 1 3 349.466 3.444 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000863556801 1329562759 /nfs/dbraw/zinc/56/27/59/1329562759.db2.gz HSHJVCYODWVOHU-YUVXSKOASA-N 1 3 336.479 3.473 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000863556801 1329562760 /nfs/dbraw/zinc/56/27/60/1329562760.db2.gz HSHJVCYODWVOHU-YUVXSKOASA-N 1 3 336.479 3.473 10 0 EGAEHO CC(C)(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001323244601 1387316780 /nfs/dbraw/zinc/31/67/80/1387316780.db2.gz ARTWVFOEFHVGGX-RTBURBONSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001323244601 1387316782 /nfs/dbraw/zinc/31/67/82/1387316782.db2.gz ARTWVFOEFHVGGX-RTBURBONSA-N 1 3 349.563 3.410 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001323871836 1387484580 /nfs/dbraw/zinc/48/45/80/1387484580.db2.gz GCLZTXAQOJVFBE-NGQOVYEWSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001323871836 1387484583 /nfs/dbraw/zinc/48/45/83/1387484583.db2.gz GCLZTXAQOJVFBE-NGQOVYEWSA-N 1 3 347.547 3.142 10 0 EGAEHO CN(CCN1CC[NH+](CC2CC3(CCC3)C2)CC1)Cc1ccccc1 ZINC001190865366 1367370681 /nfs/dbraw/zinc/37/06/81/1367370681.db2.gz UVFPQYLCFXBAAG-UHFFFAOYSA-N 1 3 341.543 3.316 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)cc1 ZINC001326567861 1388242168 /nfs/dbraw/zinc/24/21/68/1388242168.db2.gz ZARRERQCIUFIJH-MXVIHJGJSA-N 1 3 345.531 3.100 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265627597 1377155774 /nfs/dbraw/zinc/15/57/74/1377155774.db2.gz FFWWPPISVKQEAP-PRPIBZDOSA-N 1 3 349.563 3.293 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001275416539 1378140477 /nfs/dbraw/zinc/14/04/77/1378140477.db2.gz WKQXENCOMQOTID-SJORKVTESA-N 1 3 345.531 3.277 10 0 EGAEHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001280262910 1378337877 /nfs/dbraw/zinc/33/78/77/1378337877.db2.gz AJMXQHNJCVDNIH-WOJBJXKFSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001280264739 1378338603 /nfs/dbraw/zinc/33/86/03/1378338603.db2.gz ZNONRQYWXCPTQU-RBUKOAKNSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813360 1378623776 /nfs/dbraw/zinc/62/37/76/1378623776.db2.gz WIISGDZNVCAVPU-PXEQJPNCSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813360 1378623778 /nfs/dbraw/zinc/62/37/78/1378623778.db2.gz WIISGDZNVCAVPU-PXEQJPNCSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001283679532 1379108988 /nfs/dbraw/zinc/10/89/88/1379108988.db2.gz WUYFSQWFIMBWTR-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250377 1379633486 /nfs/dbraw/zinc/63/34/86/1379633486.db2.gz ZUTIVFOGZCWTNM-FXAWDEMLSA-N 1 3 343.515 3.036 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001284295837 1379684385 /nfs/dbraw/zinc/68/43/85/1379684385.db2.gz MFNCPSQRYFOQRH-MSOLQXFVSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001284692835 1380105667 /nfs/dbraw/zinc/10/56/67/1380105667.db2.gz CYADJTAVVZHASN-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(C)(C)C1 ZINC001156836976 1380680056 /nfs/dbraw/zinc/68/00/56/1380680056.db2.gz RSUGKZDRHRVCKJ-LJQANCHMSA-N 1 3 343.515 3.133 10 0 EGAEHO CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C(C)(C)C1 ZINC001156836976 1380680096 /nfs/dbraw/zinc/68/00/96/1380680096.db2.gz RSUGKZDRHRVCKJ-LJQANCHMSA-N 1 3 343.515 3.133 10 0 EGAEHO Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001316666216 1384512161 /nfs/dbraw/zinc/51/21/61/1384512161.db2.gz BPPIXNFELNDEPK-AZUAARDMSA-N 1 3 345.531 3.018 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001316850712 1384638935 /nfs/dbraw/zinc/63/89/35/1384638935.db2.gz IDBPEIDHEJDPAO-MJGOQNOKSA-N 1 3 345.531 3.144 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001316850712 1384638938 /nfs/dbraw/zinc/63/89/38/1384638938.db2.gz IDBPEIDHEJDPAO-MJGOQNOKSA-N 1 3 345.531 3.144 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001316851188 1384639007 /nfs/dbraw/zinc/63/90/07/1384639007.db2.gz RRPIRTKYTLXQLL-UZLBHIALSA-N 1 3 345.531 3.015 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001316851188 1384639010 /nfs/dbraw/zinc/63/90/10/1384639010.db2.gz RRPIRTKYTLXQLL-UZLBHIALSA-N 1 3 345.531 3.015 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317113481 1384874544 /nfs/dbraw/zinc/87/45/44/1384874544.db2.gz OWUYAHPDRQTYTQ-HDICACEKSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175775 1384947803 /nfs/dbraw/zinc/94/78/03/1384947803.db2.gz GNHKXOOISFFGDZ-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175775 1384947810 /nfs/dbraw/zinc/94/78/10/1384947810.db2.gz GNHKXOOISFFGDZ-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317208255 1384984145 /nfs/dbraw/zinc/98/41/45/1384984145.db2.gz XRSUAKNRUBPBKC-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317208255 1384984148 /nfs/dbraw/zinc/98/41/48/1384984148.db2.gz XRSUAKNRUBPBKC-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001317483439 1385179866 /nfs/dbraw/zinc/17/98/66/1385179866.db2.gz FBEMMBHTDJUNKS-JZXOWHBKSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001317483439 1385179868 /nfs/dbraw/zinc/17/98/68/1385179868.db2.gz FBEMMBHTDJUNKS-JZXOWHBKSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001317717955 1385420003 /nfs/dbraw/zinc/42/00/03/1385420003.db2.gz KFMWEDXFUYUCCY-PMACEKPBSA-N 1 3 343.515 3.106 10 0 EGAEHO CO[C@H]1CC[C@H]1[N@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914897 1385742471 /nfs/dbraw/zinc/74/24/71/1385742471.db2.gz FOTQAUFKUBWGRX-RTWAWAEBSA-N 1 3 330.516 3.440 10 0 EGAEHO CO[C@H]1CC[C@H]1[N@@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914897 1385742475 /nfs/dbraw/zinc/74/24/75/1385742475.db2.gz FOTQAUFKUBWGRX-RTWAWAEBSA-N 1 3 330.516 3.440 10 0 EGAEHO CO[C@@H]1CC[C@H]1[N@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914896 1385742781 /nfs/dbraw/zinc/74/27/81/1385742781.db2.gz FOTQAUFKUBWGRX-NHCUHLMSSA-N 1 3 330.516 3.440 10 0 EGAEHO CO[C@@H]1CC[C@H]1[N@@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914896 1385742784 /nfs/dbraw/zinc/74/27/84/1385742784.db2.gz FOTQAUFKUBWGRX-NHCUHLMSSA-N 1 3 330.516 3.440 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1)N(C)C ZINC001318978834 1385906999 /nfs/dbraw/zinc/90/69/99/1385906999.db2.gz KCUFNMCTJWEQQA-FHWLQOOXSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001319008751 1385922283 /nfs/dbraw/zinc/92/22/83/1385922283.db2.gz KIRLWWOMKBNDGW-YLJYHZDGSA-N 1 3 345.531 3.313 10 0 EGAEHO CC[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001319351756 1386074162 /nfs/dbraw/zinc/07/41/62/1386074162.db2.gz NMUDLHJYQNVSLN-KRWDZBQOSA-N 1 3 337.552 3.316 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320156152 1386539680 /nfs/dbraw/zinc/53/96/80/1386539680.db2.gz WOMPJMCHMRJZJM-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCCC1)N(C)C ZINC001322182016 1387090557 /nfs/dbraw/zinc/09/05/57/1387090557.db2.gz CZEXNKATZUSFNY-FUHWJXTLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCCCC1)N(C)C ZINC001322182016 1387090561 /nfs/dbraw/zinc/09/05/61/1387090561.db2.gz CZEXNKATZUSFNY-FUHWJXTLSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341702 1387163810 /nfs/dbraw/zinc/16/38/10/1387163810.db2.gz YYXPBFTXJRJRGI-OALUTQOASA-N 1 3 347.547 3.236 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001329459294 1389117665 /nfs/dbraw/zinc/11/76/65/1389117665.db2.gz ICVHGWFJVZMXPH-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001329459294 1389117668 /nfs/dbraw/zinc/11/76/68/1389117668.db2.gz ICVHGWFJVZMXPH-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccc(F)cc1 ZINC001698759954 1406413561 /nfs/dbraw/zinc/41/35/61/1406413561.db2.gz FVWXTVOREDVXMH-HZPDHXFCSA-N 1 3 349.494 3.103 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001335251095 1390660056 /nfs/dbraw/zinc/66/00/56/1390660056.db2.gz IJDKUEUWVFBSIL-QYZOEREBSA-N 1 3 331.479 3.161 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001479478881 1392252735 /nfs/dbraw/zinc/25/27/35/1392252735.db2.gz FOAUYFHOUNPWHL-IKIZUSFZSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479831594 1392418108 /nfs/dbraw/zinc/41/81/08/1392418108.db2.gz NEVDDAAEKPTNIH-ZWKOTPCHSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021289 1392538681 /nfs/dbraw/zinc/53/86/81/1392538681.db2.gz YTSVOGHRDBYKPP-UXHICEINSA-N 1 3 347.547 3.234 10 0 EGAEHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)C1CCC1 ZINC001480180107 1392612387 /nfs/dbraw/zinc/61/23/87/1392612387.db2.gz VOTPUOJCBDJMLU-CTXDPNEZSA-N 1 3 345.531 3.083 10 0 EGAEHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)C1CCC1 ZINC001480180107 1392612388 /nfs/dbraw/zinc/61/23/88/1392612388.db2.gz VOTPUOJCBDJMLU-CTXDPNEZSA-N 1 3 345.531 3.083 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460629 1392759919 /nfs/dbraw/zinc/75/99/19/1392759919.db2.gz WXRBTNSJWAFMQG-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939212 1406678832 /nfs/dbraw/zinc/67/88/32/1406678832.db2.gz OWKPYUXQAZFNRJ-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001481451608 1394307769 /nfs/dbraw/zinc/30/77/69/1394307769.db2.gz IWYYRJHZMRISCG-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001481451608 1394307774 /nfs/dbraw/zinc/30/77/74/1394307774.db2.gz IWYYRJHZMRISCG-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001481693337 1394454930 /nfs/dbraw/zinc/45/49/30/1394454930.db2.gz MNJIZNWPXPFLMF-PMACEKPBSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001481696653 1394458267 /nfs/dbraw/zinc/45/82/67/1394458267.db2.gz DFDMFNGBVVQEHU-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001481696653 1394458269 /nfs/dbraw/zinc/45/82/69/1394458269.db2.gz DFDMFNGBVVQEHU-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481960269 1394621160 /nfs/dbraw/zinc/62/11/60/1394621160.db2.gz GILWWRQUWFBRIQ-NQIIRXRSSA-N 1 3 349.563 3.483 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001481981730 1394643064 /nfs/dbraw/zinc/64/30/64/1394643064.db2.gz WQDIJNVDTVLDFK-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001482231157 1394825451 /nfs/dbraw/zinc/82/54/51/1394825451.db2.gz MOVIYMIJSDGNSS-SFHVURJKSA-N 1 3 337.552 3.460 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001482455656 1395014639 /nfs/dbraw/zinc/01/46/39/1395014639.db2.gz ILOZRJRBAPSKJL-PMACEKPBSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CN(C)C(C)C)c1 ZINC001482501208 1395053858 /nfs/dbraw/zinc/05/38/58/1395053858.db2.gz MMJYQKGENCOXEG-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001484118970 1395261526 /nfs/dbraw/zinc/26/15/26/1395261526.db2.gz IMCWAKUOMVLDEC-OAQYLSRUSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCN1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001484874892 1395576632 /nfs/dbraw/zinc/57/66/32/1395576632.db2.gz ZMBTYTKXJNMILZ-UHFFFAOYSA-N 1 3 343.515 3.293 10 0 EGAEHO CC(C)CN1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001484874449 1395577328 /nfs/dbraw/zinc/57/73/28/1395577328.db2.gz RWYRPFBUHZINNX-HXUWFJFHSA-N 1 3 343.515 3.149 10 0 EGAEHO CC(C)CN1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@H+]3C)cc2C1 ZINC001484874449 1395577332 /nfs/dbraw/zinc/57/73/32/1395577332.db2.gz RWYRPFBUHZINNX-HXUWFJFHSA-N 1 3 343.515 3.149 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485303837 1395781364 /nfs/dbraw/zinc/78/13/64/1395781364.db2.gz SOQRNHKFDACUIB-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485303837 1395781370 /nfs/dbraw/zinc/78/13/70/1395781370.db2.gz SOQRNHKFDACUIB-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC001485666005 1396094228 /nfs/dbraw/zinc/09/42/28/1396094228.db2.gz VSZQPJROKBZUER-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCCC(C)(C)C)C2 ZINC001485666005 1396094237 /nfs/dbraw/zinc/09/42/37/1396094237.db2.gz VSZQPJROKBZUER-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001491965532 1396301374 /nfs/dbraw/zinc/30/13/74/1396301374.db2.gz NNOYUUMWXQLWAB-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001491965532 1396301375 /nfs/dbraw/zinc/30/13/75/1396301375.db2.gz NNOYUUMWXQLWAB-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001491966459 1396301665 /nfs/dbraw/zinc/30/16/65/1396301665.db2.gz ZFUPOBTZXWTETL-WOJBJXKFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001491966459 1396301666 /nfs/dbraw/zinc/30/16/66/1396301666.db2.gz ZFUPOBTZXWTETL-WOJBJXKFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC1=CCCCC1 ZINC001699010775 1406839366 /nfs/dbraw/zinc/83/93/66/1406839366.db2.gz FUPJFMWDZXTCMM-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC1=CCCCC1 ZINC001699010775 1406839372 /nfs/dbraw/zinc/83/93/72/1406839372.db2.gz FUPJFMWDZXTCMM-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699010962 1406841038 /nfs/dbraw/zinc/84/10/38/1406841038.db2.gz IOFFTRMIIQSPSO-OAHLLOKOSA-N 1 3 339.911 3.131 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699010962 1406841041 /nfs/dbraw/zinc/84/10/41/1406841041.db2.gz IOFFTRMIIQSPSO-OAHLLOKOSA-N 1 3 339.911 3.131 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001690487436 1404602155 /nfs/dbraw/zinc/60/21/55/1404602155.db2.gz UABJWRKBIURDSA-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001690746089 1404706602 /nfs/dbraw/zinc/70/66/02/1404706602.db2.gz SKVQKPRVUCOOHJ-FQEVSTJZSA-N 1 3 347.547 3.047 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CC1CCC2(CC2)CC1 ZINC001691055611 1404975097 /nfs/dbraw/zinc/97/50/97/1404975097.db2.gz FMDDXVYURUJGLI-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CC1CCC2(CC2)CC1 ZINC001691055611 1404975099 /nfs/dbraw/zinc/97/50/99/1404975099.db2.gz FMDDXVYURUJGLI-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1)N(CC)CC ZINC001691058711 1404980539 /nfs/dbraw/zinc/98/05/39/1404980539.db2.gz OHWLBLYUVNQDDR-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1)N(CC)CC ZINC001691058711 1404980545 /nfs/dbraw/zinc/98/05/45/1404980545.db2.gz OHWLBLYUVNQDDR-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1)N(CC)CC ZINC001691058712 1404980906 /nfs/dbraw/zinc/98/09/06/1404980906.db2.gz OHWLBLYUVNQDDR-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1)N(CC)CC ZINC001691058712 1404980912 /nfs/dbraw/zinc/98/09/12/1404980912.db2.gz OHWLBLYUVNQDDR-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001691798706 1405510547 /nfs/dbraw/zinc/51/05/47/1405510547.db2.gz MRYONGIVHFUNIC-SFHVURJKSA-N 1 3 339.568 3.467 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001691798706 1405510551 /nfs/dbraw/zinc/51/05/51/1405510551.db2.gz MRYONGIVHFUNIC-SFHVURJKSA-N 1 3 339.568 3.467 10 0 EGAEHO CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CCN(CC=C(C)C)C1 ZINC001691853547 1405570494 /nfs/dbraw/zinc/57/04/94/1405570494.db2.gz YTMLCFSPPPLQMH-MOPGFXCFSA-N 1 3 335.536 3.140 10 0 EGAEHO CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CCN(CC=C(C)C)C1 ZINC001691853547 1405570498 /nfs/dbraw/zinc/57/04/98/1405570498.db2.gz YTMLCFSPPPLQMH-MOPGFXCFSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001692251781 1405875689 /nfs/dbraw/zinc/87/56/89/1405875689.db2.gz BOAINOQVYIKATA-MOPGFXCFSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001692251781 1405875694 /nfs/dbraw/zinc/87/56/94/1405875694.db2.gz BOAINOQVYIKATA-MOPGFXCFSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1)N(C)C ZINC001692280221 1405914537 /nfs/dbraw/zinc/91/45/37/1405914537.db2.gz RJOIFWIKTGDKPZ-SJORKVTESA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1)N(C)C ZINC001692280221 1405914540 /nfs/dbraw/zinc/91/45/40/1405914540.db2.gz RJOIFWIKTGDKPZ-SJORKVTESA-N 1 3 339.568 3.370 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692330036 1405948800 /nfs/dbraw/zinc/94/88/00/1405948800.db2.gz SRNOGFNUFTXLTE-SBUVDCAVSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001732012192 1428227469 /nfs/dbraw/zinc/22/74/69/1428227469.db2.gz KTVKYKRKNWKSCF-LJQANCHMSA-N 1 3 343.531 3.216 10 0 EGAEHO CCCC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001732012192 1428227470 /nfs/dbraw/zinc/22/74/70/1428227470.db2.gz KTVKYKRKNWKSCF-LJQANCHMSA-N 1 3 343.531 3.216 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598784 1406224167 /nfs/dbraw/zinc/22/41/67/1406224167.db2.gz ZVQXRSCMTNADSF-PMACEKPBSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698602525 1406229115 /nfs/dbraw/zinc/22/91/15/1406229115.db2.gz ZVSIFDCYRDWSDI-KRWDZBQOSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C\CC[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001732294148 1428517443 /nfs/dbraw/zinc/51/74/43/1428517443.db2.gz IZOWOFXQKYNXQT-WAYWQWQTSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001732516760 1428635972 /nfs/dbraw/zinc/63/59/72/1428635972.db2.gz LXDBSECNGPQABO-FQEVSTJZSA-N 1 3 345.531 3.379 10 0 EGAEHO CCc1ccc(CN(C)C[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001699455085 1412799096 /nfs/dbraw/zinc/79/90/96/1412799096.db2.gz QDFQYRBTZNFPMR-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccc(CN(C)C[C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001699455085 1412799099 /nfs/dbraw/zinc/79/90/99/1412799099.db2.gz QDFQYRBTZNFPMR-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486273 1412882332 /nfs/dbraw/zinc/88/23/32/1412882332.db2.gz GUEZKXCGUXBSBN-MOPGFXCFSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C)c1ccccc1 ZINC001699766261 1413171287 /nfs/dbraw/zinc/17/12/87/1413171287.db2.gz DBFYWTVLVKYTQT-OALUTQOASA-N 1 3 331.504 3.059 10 0 EGAEHO CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001700221247 1413667858 /nfs/dbraw/zinc/66/78/58/1413667858.db2.gz LCOFQHZFXGUFHP-FQQSSWHASA-N 1 3 349.563 3.435 10 0 EGAEHO CCC1([NH2+]CCCC2CCC2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001700225056 1413676141 /nfs/dbraw/zinc/67/61/41/1413676141.db2.gz TZBUNBZVQISMNN-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)C1(C(=O)N2CCC(C)([NH2+]CCC3CCCC3)CC2)CCC1 ZINC001700280908 1413725880 /nfs/dbraw/zinc/72/58/80/1413725880.db2.gz CDVNVMSQTRWAEC-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312430 1413767340 /nfs/dbraw/zinc/76/73/40/1413767340.db2.gz AJKSTGVUTFAFHL-AEFFLSMTSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001700312430 1413767343 /nfs/dbraw/zinc/76/73/43/1413767343.db2.gz AJKSTGVUTFAFHL-AEFFLSMTSA-N 1 3 347.547 3.020 10 0 EGAEHO CC[C@H](F)C[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001700513874 1414164142 /nfs/dbraw/zinc/16/41/42/1414164142.db2.gz IXHWDUZISOBBGV-INIZCTEOSA-N 1 3 343.531 3.121 10 0 EGAEHO CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001700550920 1414220852 /nfs/dbraw/zinc/22/08/52/1414220852.db2.gz PZNVIFHBZQTOTO-JTGQJZMRSA-N 1 3 343.515 3.155 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1 ZINC001700678912 1414334100 /nfs/dbraw/zinc/33/41/00/1414334100.db2.gz MCHCRCZRSNJGCN-UYAOXDASSA-N 1 3 345.531 3.324 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688328 1414340907 /nfs/dbraw/zinc/34/09/07/1414340907.db2.gz DLACNKSADAVWGD-HKUYNNGSSA-N 1 3 335.536 3.236 10 0 EGAEHO CC(C)N(C)CC(=O)N(CC[N@H+](C)CC1CCCCCC1)C(C)C ZINC001700980874 1414621042 /nfs/dbraw/zinc/62/10/42/1414621042.db2.gz NZRFNXUHVDKDLR-UHFFFAOYSA-N 1 3 339.568 3.466 10 0 EGAEHO CC(C)N(C)CC(=O)N(CC[N@@H+](C)CC1CCCCCC1)C(C)C ZINC001700980874 1414621046 /nfs/dbraw/zinc/62/10/46/1414621046.db2.gz NZRFNXUHVDKDLR-UHFFFAOYSA-N 1 3 339.568 3.466 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001701010346 1414668880 /nfs/dbraw/zinc/66/88/80/1414668880.db2.gz YAUCWOBCPABCOM-DDRDIHNTSA-N 1 3 349.563 3.434 10 0 EGAEHO CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)CN(C)C(C)C ZINC001732812096 1428989773 /nfs/dbraw/zinc/98/97/73/1428989773.db2.gz KTFZIZVSQTWJCD-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001732909054 1429042514 /nfs/dbraw/zinc/04/25/14/1429042514.db2.gz QQTQFGVNARCZCB-IBDYFIJFSA-N 1 3 349.563 3.482 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941875 1429066623 /nfs/dbraw/zinc/06/66/23/1429066623.db2.gz HCBZELMPCAJKLG-RURPWVQCSA-N 1 3 349.563 3.339 10 0 EGAEHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001707072025 1417184124 /nfs/dbraw/zinc/18/41/24/1417184124.db2.gz BLOGKQPOGXLQNF-IPELMVKDSA-N 1 3 349.494 3.101 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001707235015 1417256125 /nfs/dbraw/zinc/25/61/25/1417256125.db2.gz PPZMYZNEZWZOOG-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001707376638 1417300871 /nfs/dbraw/zinc/30/08/71/1417300871.db2.gz CWQQRPXXIDYKCT-VQIMIIECSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001707376638 1417300874 /nfs/dbraw/zinc/30/08/74/1417300874.db2.gz CWQQRPXXIDYKCT-VQIMIIECSA-N 1 3 349.494 3.198 10 0 EGAEHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCC(C)(C)CC1 ZINC001707466728 1417368090 /nfs/dbraw/zinc/36/80/90/1417368090.db2.gz DZUWDNFHNCFNLG-UHFFFAOYSA-N 1 3 348.535 3.305 10 0 EGAEHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCC(C)(C)CC1 ZINC001707466728 1417368093 /nfs/dbraw/zinc/36/80/93/1417368093.db2.gz DZUWDNFHNCFNLG-UHFFFAOYSA-N 1 3 348.535 3.305 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713061125 1417617242 /nfs/dbraw/zinc/61/72/42/1417617242.db2.gz SQPYAUFPNQIZFZ-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713061125 1417617246 /nfs/dbraw/zinc/61/72/46/1417617246.db2.gz SQPYAUFPNQIZFZ-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713233383 1417819768 /nfs/dbraw/zinc/81/97/68/1417819768.db2.gz QKQFKEUMBNTQES-IPLHWJFFSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713275485 1417892769 /nfs/dbraw/zinc/89/27/69/1417892769.db2.gz JIDZQQYEUOILKS-PKOBYXMFSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713275485 1417892773 /nfs/dbraw/zinc/89/27/73/1417892773.db2.gz JIDZQQYEUOILKS-PKOBYXMFSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001713401849 1418024580 /nfs/dbraw/zinc/02/45/80/1418024580.db2.gz URSFKVUHYLNSMB-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001713401849 1418024584 /nfs/dbraw/zinc/02/45/84/1418024584.db2.gz URSFKVUHYLNSMB-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C(C)C)cc1 ZINC001713454104 1418102757 /nfs/dbraw/zinc/10/27/57/1418102757.db2.gz AKWMZRHXXJHCCT-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C(C)C)cc1 ZINC001713454104 1418102761 /nfs/dbraw/zinc/10/27/61/1418102761.db2.gz AKWMZRHXXJHCCT-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515098 1418249405 /nfs/dbraw/zinc/24/94/05/1418249405.db2.gz OJUVXKMDWGZRPH-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515098 1418249407 /nfs/dbraw/zinc/24/94/07/1418249407.db2.gz OJUVXKMDWGZRPH-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001733106552 1429244645 /nfs/dbraw/zinc/24/46/45/1429244645.db2.gz QUZXTMSXKJOIRZ-SFHVURJKSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001733106551 1429244707 /nfs/dbraw/zinc/24/47/07/1429244707.db2.gz QUZXTMSXKJOIRZ-GOSISDBHSA-N 1 3 349.494 3.199 10 0 EGAEHO CCCN(CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccc(F)c1 ZINC001713551859 1418335438 /nfs/dbraw/zinc/33/54/38/1418335438.db2.gz CIOVHRJIHBXXES-IAGOWNOFSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001713700148 1418456692 /nfs/dbraw/zinc/45/66/92/1418456692.db2.gz BJDFDPFBFGSWIB-PXNSSMCTSA-N 1 3 349.494 3.054 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714019082 1418800528 /nfs/dbraw/zinc/80/05/28/1418800528.db2.gz QMUUKZUUNPAALG-WYNBNGFRSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714019082 1418800531 /nfs/dbraw/zinc/80/05/31/1418800531.db2.gz QMUUKZUUNPAALG-WYNBNGFRSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001714187091 1418994225 /nfs/dbraw/zinc/99/42/25/1418994225.db2.gz GSGFEENEZYCFTD-BKBBAENRSA-N 1 3 335.536 3.233 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001714224762 1419018888 /nfs/dbraw/zinc/01/88/88/1419018888.db2.gz IKUJQIGAOOCTRD-GOSISDBHSA-N 1 3 337.552 3.149 10 0 EGAEHO CCN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1cccc(F)c1 ZINC001714585629 1419327258 /nfs/dbraw/zinc/32/72/58/1419327258.db2.gz YYRPBRLXRGXOJC-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(F)c1 ZINC001714585629 1419327262 /nfs/dbraw/zinc/32/72/62/1419327262.db2.gz YYRPBRLXRGXOJC-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1)N(C)C ZINC001714748497 1419492619 /nfs/dbraw/zinc/49/26/19/1419492619.db2.gz HSNNKMSMOCMTIS-WMZOPIPTSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795868 1419512532 /nfs/dbraw/zinc/51/25/32/1419512532.db2.gz BVMAGVRMQOINRY-LPHOPBHVSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238351 1429380344 /nfs/dbraw/zinc/38/03/44/1429380344.db2.gz SZAPKKNXOWRNPR-WOJBJXKFSA-N 1 3 347.547 3.188 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCCCCC2)CC1 ZINC001715165886 1419905393 /nfs/dbraw/zinc/90/53/93/1419905393.db2.gz UGKXDWMAQSHDHQ-HXUWFJFHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H]([NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001715884662 1420382627 /nfs/dbraw/zinc/38/26/27/1420382627.db2.gz INKNKHXSNHYAPS-AQWUKCDYSA-N 1 3 343.515 3.132 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001715992533 1420447567 /nfs/dbraw/zinc/44/75/67/1420447567.db2.gz JOVPVQRAHXWAEY-JENIJYKNSA-N 1 3 333.520 3.045 10 0 EGAEHO CC(C)c1ccccc1CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716028834 1420486698 /nfs/dbraw/zinc/48/66/98/1420486698.db2.gz KYWSIXMXVZSPFB-MBOZVWFJSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)c1ccccc1CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716028834 1420486701 /nfs/dbraw/zinc/48/67/01/1420486701.db2.gz KYWSIXMXVZSPFB-MBOZVWFJSA-N 1 3 345.531 3.087 10 0 EGAEHO Cc1cc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001716146796 1420541502 /nfs/dbraw/zinc/54/15/02/1420541502.db2.gz ZEKSCEMMAQKQGK-GOSISDBHSA-N 1 3 345.531 3.081 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(F)c1 ZINC001716378206 1420624070 /nfs/dbraw/zinc/62/40/70/1420624070.db2.gz HCJJOMNWSCWEKK-FOSBAXRVSA-N 1 3 347.478 3.023 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001716455159 1420670234 /nfs/dbraw/zinc/67/02/34/1420670234.db2.gz QPIFDYDNRZIXJS-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001716477311 1420692896 /nfs/dbraw/zinc/69/28/96/1420692896.db2.gz FKFYTTJFEKDYDM-MRDYICJFSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001716477311 1420692897 /nfs/dbraw/zinc/69/28/97/1420692897.db2.gz FKFYTTJFEKDYDM-MRDYICJFSA-N 1 3 343.515 3.009 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCN1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665217 1420819572 /nfs/dbraw/zinc/81/95/72/1420819572.db2.gz IRFVSWUWRYZBBG-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665217 1420819576 /nfs/dbraw/zinc/81/95/76/1420819576.db2.gz IRFVSWUWRYZBBG-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665217 1420819578 /nfs/dbraw/zinc/81/95/78/1420819578.db2.gz IRFVSWUWRYZBBG-AZUAARDMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001716683052 1420836849 /nfs/dbraw/zinc/83/68/49/1420836849.db2.gz RDOMKSLLXQFECO-IEBWSBKVSA-N 1 3 343.515 3.169 10 0 EGAEHO CN(CC(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001716693345 1420846424 /nfs/dbraw/zinc/84/64/24/1420846424.db2.gz IBVGLZFTDZBIRH-UHFFFAOYSA-N 1 3 335.536 3.093 10 0 EGAEHO CC(C)c1ccc(CN2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001716847871 1420975760 /nfs/dbraw/zinc/97/57/60/1420975760.db2.gz SPYZJGSWFVWPIM-NRFANRHFSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901244 1421032996 /nfs/dbraw/zinc/03/29/96/1421032996.db2.gz DOYAYAWQOYXURU-YJJPMGAVSA-N 1 3 346.519 3.225 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901244 1421032999 /nfs/dbraw/zinc/03/29/99/1421032999.db2.gz DOYAYAWQOYXURU-YJJPMGAVSA-N 1 3 346.519 3.225 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001717248371 1421219963 /nfs/dbraw/zinc/21/99/63/1421219963.db2.gz YCMSPAXTDWUYKM-TZIWHRDSSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001717248371 1421219965 /nfs/dbraw/zinc/21/99/65/1421219965.db2.gz YCMSPAXTDWUYKM-TZIWHRDSSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001717248370 1421220195 /nfs/dbraw/zinc/22/01/95/1421220195.db2.gz YCMSPAXTDWUYKM-PZJWPPBQSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001717248370 1421220196 /nfs/dbraw/zinc/22/01/96/1421220196.db2.gz YCMSPAXTDWUYKM-PZJWPPBQSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001717301200 1421243768 /nfs/dbraw/zinc/24/37/68/1421243768.db2.gz HKFGAQPXJWROJQ-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)cc1 ZINC001717313116 1421258867 /nfs/dbraw/zinc/25/88/67/1421258867.db2.gz LJDROLORQQHSRY-IBGZPJMESA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)cc1 ZINC001717313116 1421258870 /nfs/dbraw/zinc/25/88/70/1421258870.db2.gz LJDROLORQQHSRY-IBGZPJMESA-N 1 3 345.531 3.052 10 0 EGAEHO CCC/C=C/CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001717354594 1421288712 /nfs/dbraw/zinc/28/87/12/1421288712.db2.gz HFJZLWDAJOODMY-AQKVLALTSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001717354594 1421288713 /nfs/dbraw/zinc/28/87/13/1421288713.db2.gz HFJZLWDAJOODMY-AQKVLALTSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)C(C)(C)N1CCCCC1 ZINC001717452703 1421382452 /nfs/dbraw/zinc/38/24/52/1421382452.db2.gz OKBGITVFNXAOBF-KTKRTIGZSA-N 1 3 343.943 3.078 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCC(C)(C)C ZINC001717471382 1421404369 /nfs/dbraw/zinc/40/43/69/1421404369.db2.gz ASQVEQLUWPTZOJ-MRXNPFEDSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCC(C)(C)C ZINC001717471382 1421404370 /nfs/dbraw/zinc/40/43/70/1421404370.db2.gz ASQVEQLUWPTZOJ-MRXNPFEDSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CCC1=CCCCC1 ZINC001717483727 1421419211 /nfs/dbraw/zinc/41/92/11/1421419211.db2.gz NPRJJEQDPMMEJE-KRWDZBQOSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CCC1=CCCCC1 ZINC001717483727 1421419213 /nfs/dbraw/zinc/41/92/13/1421419213.db2.gz NPRJJEQDPMMEJE-KRWDZBQOSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001717651521 1421550958 /nfs/dbraw/zinc/55/09/58/1421550958.db2.gz HARWCVOWDSQEBZ-IYARVYRRSA-N 1 3 346.519 3.106 10 0 EGAEHO CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)c1ccc(F)cc1 ZINC001717758658 1421621440 /nfs/dbraw/zinc/62/14/40/1421621440.db2.gz ZHDMULWYJLRRHM-YJBOKZPZSA-N 1 3 337.483 3.054 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H]1CNCc1ccccc1F)[NH+](CC)CC ZINC001733348244 1429529842 /nfs/dbraw/zinc/52/98/42/1429529842.db2.gz IKJMGXLMXDJNHJ-HKUYNNGSSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001722916727 1424253985 /nfs/dbraw/zinc/25/39/85/1424253985.db2.gz OBQGEIJFOBWZFS-QAPCUYQASA-N 1 3 337.483 3.054 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001722916727 1424253987 /nfs/dbraw/zinc/25/39/87/1424253987.db2.gz OBQGEIJFOBWZFS-QAPCUYQASA-N 1 3 337.483 3.054 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C2CC[NH+](CC=C(C)C)CC2)C1 ZINC001733514808 1429723955 /nfs/dbraw/zinc/72/39/55/1429723955.db2.gz SHTWTOPJMSIKSO-FQEVSTJZSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C2CC[NH+](CC=C(C)C)CC2)C1 ZINC001733514809 1429723976 /nfs/dbraw/zinc/72/39/76/1429723976.db2.gz SHTWTOPJMSIKSO-HXUWFJFHSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001723982347 1424617989 /nfs/dbraw/zinc/61/79/89/1424617989.db2.gz XBEUNUKHUOZHFZ-IBGZPJMESA-N 1 3 331.504 3.133 10 0 EGAEHO C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001733538337 1429744805 /nfs/dbraw/zinc/74/48/05/1429744805.db2.gz NIANLRSEIMBTCO-IRXDYDNUSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001724325588 1424814754 /nfs/dbraw/zinc/81/47/54/1424814754.db2.gz ZDZQUGAUUHPVCR-UYAOXDASSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC=C(C)C)C1 ZINC001724325588 1424814757 /nfs/dbraw/zinc/81/47/57/1424814757.db2.gz ZDZQUGAUUHPVCR-UYAOXDASSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CCCC2)C3)CCC1 ZINC001724501869 1424878673 /nfs/dbraw/zinc/87/86/73/1424878673.db2.gz PIKSDZZMILBTQG-FHWLQOOXSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC2CCCC2)C3)CCC1 ZINC001724501869 1424878688 /nfs/dbraw/zinc/87/86/88/1424878688.db2.gz PIKSDZZMILBTQG-FHWLQOOXSA-N 1 3 347.547 3.020 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653348 1425017324 /nfs/dbraw/zinc/01/73/24/1425017324.db2.gz QJEZWFCCDREJKY-MDVNVLNJSA-N 1 3 349.563 3.384 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653348 1425017328 /nfs/dbraw/zinc/01/73/28/1425017328.db2.gz QJEZWFCCDREJKY-MDVNVLNJSA-N 1 3 349.563 3.384 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001724835242 1425182357 /nfs/dbraw/zinc/18/23/57/1425182357.db2.gz PLUWQJDLUNQPJR-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001724835242 1425182354 /nfs/dbraw/zinc/18/23/54/1425182354.db2.gz PLUWQJDLUNQPJR-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001724897898 1425291775 /nfs/dbraw/zinc/29/17/75/1425291775.db2.gz KLVMVDFAGJTQKB-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001724897898 1425291777 /nfs/dbraw/zinc/29/17/77/1425291777.db2.gz KLVMVDFAGJTQKB-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001724960969 1425349827 /nfs/dbraw/zinc/34/98/27/1425349827.db2.gz HIDKSXKNHUTULN-UHFFFAOYSA-N 1 3 325.541 3.125 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993941 1425398528 /nfs/dbraw/zinc/39/85/28/1425398528.db2.gz HJUWHEVGFCSKPQ-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CCCC1 ZINC001724993941 1425398532 /nfs/dbraw/zinc/39/85/32/1425398532.db2.gz HJUWHEVGFCSKPQ-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C)c1ccccc1 ZINC001725029474 1425449182 /nfs/dbraw/zinc/44/91/82/1425449182.db2.gz JXGXAQGQZHQTFI-XUVXKRRUSA-N 1 3 345.531 3.449 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc21 ZINC001725149073 1425632781 /nfs/dbraw/zinc/63/27/81/1425632781.db2.gz YCXVFSVVSVQQCQ-IBGZPJMESA-N 1 3 345.531 3.088 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001725159161 1425654425 /nfs/dbraw/zinc/65/44/25/1425654425.db2.gz HACLOTQBYCKYGR-QUCCMNQESA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001725159161 1425654428 /nfs/dbraw/zinc/65/44/28/1425654428.db2.gz HACLOTQBYCKYGR-QUCCMNQESA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001725172336 1425682483 /nfs/dbraw/zinc/68/24/83/1425682483.db2.gz LADKODODYPBYDO-GOSISDBHSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001725172336 1425682487 /nfs/dbraw/zinc/68/24/87/1425682487.db2.gz LADKODODYPBYDO-GOSISDBHSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001725682306 1426370414 /nfs/dbraw/zinc/37/04/14/1426370414.db2.gz QXKOIDOKMRGLGB-GOSISDBHSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001725737678 1426412307 /nfs/dbraw/zinc/41/23/07/1426412307.db2.gz DWMJVRAIVDXRGA-ROUUACIJSA-N 1 3 339.568 3.416 10 0 EGAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)CCC1 ZINC001725739333 1426414193 /nfs/dbraw/zinc/41/41/93/1426414193.db2.gz MZWUPTDUEWPKDS-QGZVFWFLSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C(C)(C)C ZINC001725755214 1426434073 /nfs/dbraw/zinc/43/40/73/1426434073.db2.gz FXVIECAFANSJAW-ZWKOTPCHSA-N 1 3 339.568 3.273 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295518 1427238020 /nfs/dbraw/zinc/23/80/20/1427238020.db2.gz DWUGIKLDOPBUQW-FUHWJXTLSA-N 1 3 337.552 3.122 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CCC(C)CC1 ZINC001731321793 1427261842 /nfs/dbraw/zinc/26/18/42/1427261842.db2.gz FPAOWBVMRPYKMM-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CCC(C)CC1 ZINC001731321793 1427261843 /nfs/dbraw/zinc/26/18/43/1427261843.db2.gz FPAOWBVMRPYKMM-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)CC1CC2(CCC2)C1 ZINC001731324203 1427265013 /nfs/dbraw/zinc/26/50/13/1427265013.db2.gz ULRLTGFJFYBJBV-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001731324203 1427265015 /nfs/dbraw/zinc/26/50/15/1427265015.db2.gz ULRLTGFJFYBJBV-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391595 1427343892 /nfs/dbraw/zinc/34/38/92/1427343892.db2.gz HMQSNAVDHQPFHE-PMACEKPBSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001731488221 1427462794 /nfs/dbraw/zinc/46/27/94/1427462794.db2.gz RKJYXVLKVVZCJR-INDMIFKZSA-N 1 3 337.552 3.168 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001731548863 1427566253 /nfs/dbraw/zinc/56/62/53/1427566253.db2.gz JYJZXOLXVUZMHQ-RTBURBONSA-N 1 3 335.536 3.020 10 0 EGAEHO CN(C)C1(C(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)CCC1 ZINC001731568866 1427608332 /nfs/dbraw/zinc/60/83/32/1427608332.db2.gz FUORXPSGEXCJSA-UHFFFAOYSA-N 1 3 349.563 3.458 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC001731796278 1427950165 /nfs/dbraw/zinc/95/01/65/1427950165.db2.gz YXEPRSPXSVPDPO-KDURUIRLSA-N 1 3 345.531 3.033 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC001731796278 1427950172 /nfs/dbraw/zinc/95/01/72/1427950172.db2.gz YXEPRSPXSVPDPO-KDURUIRLSA-N 1 3 345.531 3.033 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001733682760 1429896233 /nfs/dbraw/zinc/89/62/33/1429896233.db2.gz VRVQJIQNNOTMTA-VQIMIIECSA-N 1 3 349.494 3.186 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CCC(C)C)CC1 ZINC001733809770 1430085818 /nfs/dbraw/zinc/08/58/18/1430085818.db2.gz ULEOYPUCSBHWFN-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+]CCCC(C)(C)C)CCC1 ZINC001734020331 1437809309 /nfs/dbraw/zinc/80/93/09/1437809309.db2.gz MEJYGIVTZWNHCL-UHFFFAOYSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734058680 1437850636 /nfs/dbraw/zinc/85/06/36/1437850636.db2.gz LHRXDDZPSKOGHM-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734058680 1437850638 /nfs/dbraw/zinc/85/06/38/1437850638.db2.gz LHRXDDZPSKOGHM-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)c1ccc([C@H](C)N2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122092 1437902087 /nfs/dbraw/zinc/90/20/87/1437902087.db2.gz ZAIOBZFTUKSIBO-IRXDYDNUSA-N 1 3 345.531 3.259 10 0 EGAEHO CC(C)=CCN1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001734456713 1438114091 /nfs/dbraw/zinc/11/40/91/1438114091.db2.gz IAWQVQWIQLMXKN-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001734587970 1438177789 /nfs/dbraw/zinc/17/77/89/1438177789.db2.gz RDBXJGRKXNLESX-ZWKOTPCHSA-N 1 3 345.531 3.306 10 0 EGAEHO Cc1cc2c(c(-c3ccc(CN4CCCCC4)cn3)c1)O[C@H](C[NH3+])C2 ZINC000067688338 215184322 /nfs/dbraw/zinc/18/43/22/215184322.db2.gz GKOPASVSBHZGTJ-SFHVURJKSA-N 1 3 337.467 3.305 10 0 EGAEHO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000181491278 533390412 /nfs/dbraw/zinc/39/04/12/533390412.db2.gz RNXPZVAZMGXYJB-QGZVFWFLSA-N 1 3 327.472 3.305 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1)C(C)C ZINC000347983890 141228197 /nfs/dbraw/zinc/22/81/97/141228197.db2.gz LQMRRYHKBVNKJE-FQEVSTJZSA-N 1 3 343.515 3.083 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1)C(C)C ZINC000347983890 141228199 /nfs/dbraw/zinc/22/81/99/141228199.db2.gz LQMRRYHKBVNKJE-FQEVSTJZSA-N 1 3 343.515 3.083 10 0 EGAEHO OCCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248410804 163001577 /nfs/dbraw/zinc/00/15/77/163001577.db2.gz YIPJPIDFGNKIBG-QHAWAJNXSA-N 1 3 330.516 3.429 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(CC)CC ZINC000344225398 164130411 /nfs/dbraw/zinc/13/04/11/164130411.db2.gz BULIRVPTKGCHLA-IBGZPJMESA-N 1 3 331.504 3.019 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@@H]1C ZINC000351645101 165112350 /nfs/dbraw/zinc/11/23/50/165112350.db2.gz VBTFLADUAMDYMS-FUHWJXTLSA-N 1 3 326.488 3.392 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@@H]1C ZINC000351645101 165112352 /nfs/dbraw/zinc/11/23/52/165112352.db2.gz VBTFLADUAMDYMS-FUHWJXTLSA-N 1 3 326.488 3.392 10 0 EGAEHO CN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352103368 165237137 /nfs/dbraw/zinc/23/71/37/165237137.db2.gz OAABXSNXFWCSJH-AYOQOUSVSA-N 1 3 337.458 3.174 10 0 EGAEHO C[C@@H]1CCC[C@@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246032990 274294496 /nfs/dbraw/zinc/29/44/96/274294496.db2.gz WFLSFSKFAWSXLR-DQKSBWHRSA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@@H]1CCC[C@@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000246032990 274294497 /nfs/dbraw/zinc/29/44/97/274294497.db2.gz WFLSFSKFAWSXLR-DQKSBWHRSA-N 1 3 333.564 3.446 10 0 EGAEHO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000365667956 275919167 /nfs/dbraw/zinc/91/91/67/275919167.db2.gz OXWFPFYOADISMX-QUCCMNQESA-N 1 3 333.564 3.469 10 0 EGAEHO OC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414295043 309071107 /nfs/dbraw/zinc/07/11/07/309071107.db2.gz CYAIVDVTGCMQMY-UXHICEINSA-N 1 3 328.500 3.182 10 0 EGAEHO CCCCOC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248638818 308008062 /nfs/dbraw/zinc/00/80/62/308008062.db2.gz BDYWUGZZJMLZQY-QUCCMNQESA-N 1 3 340.552 3.141 10 0 EGAEHO CCCCOC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000248638818 308008063 /nfs/dbraw/zinc/00/80/63/308008063.db2.gz BDYWUGZZJMLZQY-QUCCMNQESA-N 1 3 340.552 3.141 10 0 EGAEHO COc1cccc(C[N@H+](C[C@H](N)CC(C)C)C2CCC(O)CC2)c1 ZINC000414739528 309098342 /nfs/dbraw/zinc/09/83/42/309098342.db2.gz FZTQDXWTXBSPNL-LMDPOFIKSA-N 1 3 334.504 3.174 10 0 EGAEHO COc1cccc(C[N@@H+](C[C@H](N)CC(C)C)C2CCC(O)CC2)c1 ZINC000414739528 309098343 /nfs/dbraw/zinc/09/83/43/309098343.db2.gz FZTQDXWTXBSPNL-LMDPOFIKSA-N 1 3 334.504 3.174 10 0 EGAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414908241 309108683 /nfs/dbraw/zinc/10/86/83/309108683.db2.gz BDUVPOZQQYPXIW-ACJLOTCBSA-N 1 3 339.886 3.031 10 0 EGAEHO CC(C)C[C@H](N)C[NH2+][C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415076011 309118459 /nfs/dbraw/zinc/11/84/59/309118459.db2.gz CEVYSRKOGRIHFF-IMFGXOCKSA-N 1 3 334.504 3.275 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@H](N)CC(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415120475 309121744 /nfs/dbraw/zinc/12/17/44/309121744.db2.gz YFLNPEKBYHRWCV-QANKJYHBSA-N 1 3 343.437 3.202 10 0 EGAEHO CCCN(CCN1CCCC1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415938015 309150024 /nfs/dbraw/zinc/15/00/24/309150024.db2.gz ZZNGPFCLYNGXTD-UHFFFAOYSA-N 1 3 332.492 3.136 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369817 309284617 /nfs/dbraw/zinc/28/46/17/309284617.db2.gz JASUVVIQBIQINH-KLHJMIIUSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369817 309284618 /nfs/dbraw/zinc/28/46/18/309284618.db2.gz JASUVVIQBIQINH-KLHJMIIUSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369817 309284619 /nfs/dbraw/zinc/28/46/19/309284619.db2.gz JASUVVIQBIQINH-KLHJMIIUSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420405438 309286655 /nfs/dbraw/zinc/28/66/55/309286655.db2.gz MVXFZVUSFSFVHP-SFHLNBCPSA-N 1 3 340.467 3.105 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000421369933 309321123 /nfs/dbraw/zinc/32/11/23/309321123.db2.gz BLHYWIIVPWNJRA-PMACEKPBSA-N 1 3 345.531 3.266 10 0 EGAEHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422701614 309363743 /nfs/dbraw/zinc/36/37/43/309363743.db2.gz DLKAMCVRXHBVMP-XUVXKRRUSA-N 1 3 349.563 3.314 10 0 EGAEHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422703098 309363876 /nfs/dbraw/zinc/36/38/76/309363876.db2.gz HAMVHYOADVYECS-LRGNLBRXSA-N 1 3 343.515 3.174 10 0 EGAEHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720650 309364869 /nfs/dbraw/zinc/36/48/69/309364869.db2.gz ZYOFNIMKKZHTEM-KGLIPLIRSA-N 1 3 343.437 3.385 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000422735903 309365881 /nfs/dbraw/zinc/36/58/81/309365881.db2.gz FNNAZHHMVBXOKT-ABSDTBQOSA-N 1 3 338.499 3.335 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000422735907 309365890 /nfs/dbraw/zinc/36/58/90/309365890.db2.gz FNNAZHHMVBXOKT-QKLQHJQFSA-N 1 3 338.499 3.335 10 0 EGAEHO CCN(CC[NH2+][C@H](C)c1ccc(CN)nc1C)c1cccc(C)c1 ZINC000422755370 309366817 /nfs/dbraw/zinc/36/68/17/309366817.db2.gz BIWNAPGCGQXHSU-MRXNPFEDSA-N 1 3 326.488 3.334 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422760607 309367070 /nfs/dbraw/zinc/36/70/70/309367070.db2.gz MCCCXIZMUKKFDH-LBPRGKRZSA-N 1 3 326.419 3.362 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@H](Cc1ccccc1)c1ccccc1F ZINC000422775791 309367649 /nfs/dbraw/zinc/36/76/49/309367649.db2.gz CICICNNJIBNHKD-YLJYHZDGSA-N 1 3 330.447 3.453 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000422923224 309376316 /nfs/dbraw/zinc/37/63/16/309376316.db2.gz VIYSGEAQWJRPPS-UHTBIJDUSA-N 1 3 325.456 3.453 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995714 309379994 /nfs/dbraw/zinc/37/99/94/309379994.db2.gz YWAUFWGZMQFTCO-DJIMGWMZSA-N 1 3 344.421 3.106 10 0 EGAEHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423199809 309390108 /nfs/dbraw/zinc/39/01/08/309390108.db2.gz KPXFLBQNYKSDBD-HNNXBMFYSA-N 1 3 333.476 3.054 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]3SC)CC2)cc1 ZINC000425352247 309475297 /nfs/dbraw/zinc/47/52/97/309475297.db2.gz MQJRPXFWSFBFGJ-MOPGFXCFSA-N 1 3 334.529 3.391 10 0 EGAEHO CCCCN(C)CC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449150176 310040573 /nfs/dbraw/zinc/04/05/73/310040573.db2.gz YXVBTPWEDRJYET-LJQANCHMSA-N 1 3 331.548 3.404 10 0 EGAEHO CO[C@H]1COCC[C@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457562 310063589 /nfs/dbraw/zinc/06/35/89/310063589.db2.gz HQUARAJPOOARBZ-WMZOPIPTSA-N 1 3 340.552 3.307 10 0 EGAEHO CO[C@H]1COCC[C@H]1C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449457562 310063590 /nfs/dbraw/zinc/06/35/90/310063590.db2.gz HQUARAJPOOARBZ-WMZOPIPTSA-N 1 3 340.552 3.307 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449508073 310067862 /nfs/dbraw/zinc/06/78/62/310067862.db2.gz GNTVLKRZNDZAJE-KANFNMMFSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449508073 310067863 /nfs/dbraw/zinc/06/78/63/310067863.db2.gz GNTVLKRZNDZAJE-KANFNMMFSA-N 1 3 336.520 3.351 10 0 EGAEHO C[C@@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)CN(C)C ZINC000453227055 310265330 /nfs/dbraw/zinc/26/53/30/310265330.db2.gz CGCSSCQTJQWDAI-IINYFYTJSA-N 1 3 329.257 3.363 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H]1CCCCO1 ZINC000507484747 312074605 /nfs/dbraw/zinc/07/46/05/312074605.db2.gz KDQJNXSVSJUPRP-JOZSIVFUSA-N 1 3 328.500 3.444 10 0 EGAEHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000513761397 312217377 /nfs/dbraw/zinc/21/73/77/312217377.db2.gz MWKMPDQNMPMAKJ-DXBBTUNJSA-N 1 3 343.559 3.402 10 0 EGAEHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](N)C3CCC3)ccc21 ZINC000516567423 312330170 /nfs/dbraw/zinc/33/01/70/312330170.db2.gz FCTXPJMGUCZORZ-LJQANCHMSA-N 1 3 342.487 3.049 10 0 EGAEHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CC(F)(F)C1 ZINC000529537557 313349172 /nfs/dbraw/zinc/34/91/72/313349172.db2.gz FTUVAYQPDUZVIS-CQSZACIVSA-N 1 3 326.431 3.193 10 0 EGAEHO CC[NH+](CC)Cc1cccc(NC(=O)CCN(C)c2ccncc2)c1 ZINC000540929346 314419146 /nfs/dbraw/zinc/41/91/46/314419146.db2.gz KYBBWRBGNVAGRP-UHFFFAOYSA-N 1 3 340.471 3.388 10 0 EGAEHO C[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCCC1 ZINC000571266395 317174580 /nfs/dbraw/zinc/17/45/80/317174580.db2.gz PVCXKSKFVWNJJH-YBVXAUJNSA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCCCC1 ZINC000571266395 317174583 /nfs/dbraw/zinc/17/45/83/317174583.db2.gz PVCXKSKFVWNJJH-YBVXAUJNSA-N 1 3 333.564 3.446 10 0 EGAEHO NCc1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625481 324995331 /nfs/dbraw/zinc/99/53/31/324995331.db2.gz ZIALZMRKCWNGKB-CABCVRRESA-N 1 3 343.393 3.400 10 0 EGAEHO C[C@H](CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)N(C)Cc1ccccc1 ZINC000580588975 325271409 /nfs/dbraw/zinc/27/14/09/325271409.db2.gz ZFUOEPFIVICZSD-PMXSJFBMSA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@@H](Cc1ccsc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000581871897 325394991 /nfs/dbraw/zinc/39/49/91/325394991.db2.gz XDDOSBPLYNJOKO-KRWDZBQOSA-N 1 3 344.524 3.296 10 0 EGAEHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CC3CCCC3)cc2)CC1 ZINC000581880409 325396061 /nfs/dbraw/zinc/39/60/61/325396061.db2.gz JVCOAAWKRBAVCI-IBGZPJMESA-N 1 3 346.515 3.190 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCc2ccc(OCC(F)(F)F)nc2)CC1(C)C ZINC000623495434 460581108 /nfs/dbraw/zinc/58/11/08/460581108.db2.gz BMLLEVMUBYZLPJ-CQSZACIVSA-N 1 3 345.409 3.028 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCc2ccc(OCC(F)(F)F)nc2)CC1(C)C ZINC000623495434 460581115 /nfs/dbraw/zinc/58/11/15/460581115.db2.gz BMLLEVMUBYZLPJ-CQSZACIVSA-N 1 3 345.409 3.028 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507063 460587898 /nfs/dbraw/zinc/58/78/98/460587898.db2.gz WFPHUQSRVJDQQZ-MOPGFXCFSA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@@H+]1CC[C@@H](NC[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507063 460587901 /nfs/dbraw/zinc/58/79/01/460587901.db2.gz WFPHUQSRVJDQQZ-MOPGFXCFSA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@H+]1CC[C@@H](NC[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507063 460587906 /nfs/dbraw/zinc/58/79/06/460587906.db2.gz WFPHUQSRVJDQQZ-MOPGFXCFSA-N 1 3 347.572 3.066 10 0 EGAEHO CN(C)C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000044277397 454094233 /nfs/dbraw/zinc/09/42/33/454094233.db2.gz WIRFVFHIKPYEEK-IBGZPJMESA-N 1 3 340.471 3.173 10 0 EGAEHO COCCOc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134196102 454515301 /nfs/dbraw/zinc/51/53/01/454515301.db2.gz PEYGJWDNURQMJY-UHFFFAOYSA-N 1 3 332.488 3.020 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](COCC)C2)CC1 ZINC000093838984 454739767 /nfs/dbraw/zinc/73/97/67/454739767.db2.gz YTTYDODVYFXVRV-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](COCC)C2)CC1 ZINC000093838984 454739771 /nfs/dbraw/zinc/73/97/71/454739771.db2.gz YTTYDODVYFXVRV-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154497720 454901870 /nfs/dbraw/zinc/90/18/70/454901870.db2.gz BMERGDCGAMMAPA-INIZCTEOSA-N 1 3 335.561 3.305 10 0 EGAEHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086246 454933760 /nfs/dbraw/zinc/93/37/60/454933760.db2.gz CGXWEKWSZFSNIW-QUCCMNQESA-N 1 3 343.515 3.060 10 0 EGAEHO CN(C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086246 454933764 /nfs/dbraw/zinc/93/37/64/454933764.db2.gz CGXWEKWSZFSNIW-QUCCMNQESA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@H]1CCCCN1CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000156618283 455138124 /nfs/dbraw/zinc/13/81/24/455138124.db2.gz ZWSPRJAMVQKJAV-SFHVURJKSA-N 1 3 347.522 3.297 10 0 EGAEHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000180137655 455138468 /nfs/dbraw/zinc/13/84/68/455138468.db2.gz OLNOIBMFDIAPQZ-UXDRXVOSSA-N 1 3 343.515 3.075 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000180160454 455142411 /nfs/dbraw/zinc/14/24/11/455142411.db2.gz IQBNEOWUVRWBKG-BQAFMNHLSA-N 1 3 339.527 3.397 10 0 EGAEHO CCN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245639571 455345690 /nfs/dbraw/zinc/34/56/90/455345690.db2.gz ALJBVAXOOVHTPK-PLACYPQZSA-N 1 3 327.516 3.256 10 0 EGAEHO CC[C@@H](C)NC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737205 455369215 /nfs/dbraw/zinc/36/92/15/455369215.db2.gz QZCCXLBFKXVQNT-RSPOEFSDSA-N 1 3 343.515 3.076 10 0 EGAEHO CC[C@@H](C)NC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737205 455369219 /nfs/dbraw/zinc/36/92/19/455369219.db2.gz QZCCXLBFKXVQNT-RSPOEFSDSA-N 1 3 343.515 3.076 10 0 EGAEHO Cc1ccc(C[C@H](C)[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192744399 455684625 /nfs/dbraw/zinc/68/46/25/455684625.db2.gz RCRXUVXDDSYEKQ-FQEVSTJZSA-N 1 3 331.548 3.274 10 0 EGAEHO Cc1ccc(C[C@H](C)[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192744399 455684629 /nfs/dbraw/zinc/68/46/29/455684629.db2.gz RCRXUVXDDSYEKQ-FQEVSTJZSA-N 1 3 331.548 3.274 10 0 EGAEHO COc1ccc(CC[C@@H]2CCCCN2C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261904008 455967717 /nfs/dbraw/zinc/96/77/17/455967717.db2.gz WSBCRXGKSMIIDU-RXVVDRJESA-N 1 3 346.515 3.491 10 0 EGAEHO CCO[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000298283262 456413540 /nfs/dbraw/zinc/41/35/40/456413540.db2.gz GYFUZBBRPMFKIV-OTWHNJEPSA-N 1 3 334.529 3.281 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000340473678 456480767 /nfs/dbraw/zinc/48/07/67/456480767.db2.gz KGVONBOLKIVLEA-PXNSSMCTSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000340473678 456480770 /nfs/dbraw/zinc/48/07/70/456480770.db2.gz KGVONBOLKIVLEA-PXNSSMCTSA-N 1 3 341.503 3.078 10 0 EGAEHO C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496603 456531889 /nfs/dbraw/zinc/53/18/89/456531889.db2.gz RLPLHERXDRBMFD-DNVCBOLYSA-N 1 3 342.487 3.089 10 0 EGAEHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)C1 ZINC000292091611 456852496 /nfs/dbraw/zinc/85/24/96/456852496.db2.gz GUFVXFZVSJRKHH-NRFANRHFSA-N 1 3 337.467 3.188 10 0 EGAEHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C2)C1 ZINC000292091611 456852498 /nfs/dbraw/zinc/85/24/98/456852498.db2.gz GUFVXFZVSJRKHH-NRFANRHFSA-N 1 3 337.467 3.188 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000354078335 457047056 /nfs/dbraw/zinc/04/70/56/457047056.db2.gz QBMQWPYLMDMGEC-IBGZPJMESA-N 1 3 327.472 3.168 10 0 EGAEHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397564715 457488007 /nfs/dbraw/zinc/48/80/07/457488007.db2.gz UZRZPPZXBVGJJW-RUYXUALKSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@H]1CC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C[C@H](C)C1 ZINC000397625312 457490468 /nfs/dbraw/zinc/49/04/68/457490468.db2.gz XSNTZMOWQMFNIZ-QZTJIDSGSA-N 1 3 330.516 3.428 10 0 EGAEHO OC1(C[NH2+][C@@H]2CCCc3occc32)CCN(Cc2ccccc2)CC1 ZINC000397639669 457490681 /nfs/dbraw/zinc/49/06/81/457490681.db2.gz RNGHCLGETVQLDB-LJQANCHMSA-N 1 3 340.467 3.274 10 0 EGAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C)N(C)C ZINC000357845536 457709013 /nfs/dbraw/zinc/70/90/13/457709013.db2.gz DOACOQRDWSXDBQ-WFXMLNOXSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C)N(C)C ZINC000357845536 457709017 /nfs/dbraw/zinc/70/90/17/457709017.db2.gz DOACOQRDWSXDBQ-WFXMLNOXSA-N 1 3 345.531 3.367 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1F ZINC000358343415 457947364 /nfs/dbraw/zinc/94/73/64/457947364.db2.gz HSFIEYLHZVQYGB-VQIMIIECSA-N 1 3 343.446 3.100 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCOc1ncccc1F ZINC000358343415 457947368 /nfs/dbraw/zinc/94/73/68/457947368.db2.gz HSFIEYLHZVQYGB-VQIMIIECSA-N 1 3 343.446 3.100 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375890056 458110672 /nfs/dbraw/zinc/11/06/72/458110672.db2.gz RGVCIWZLCUNWEV-VAMGGRTRSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375890056 458110678 /nfs/dbraw/zinc/11/06/78/458110678.db2.gz RGVCIWZLCUNWEV-VAMGGRTRSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375890056 458110682 /nfs/dbraw/zinc/11/06/82/458110682.db2.gz RGVCIWZLCUNWEV-VAMGGRTRSA-N 1 3 343.515 3.179 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000447539477 458308099 /nfs/dbraw/zinc/30/80/99/458308099.db2.gz AMNIKKSRUVHDSA-MLZLACJZSA-N 1 3 327.516 3.254 10 0 EGAEHO CN1CCC(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000376834299 458401337 /nfs/dbraw/zinc/40/13/37/458401337.db2.gz XBYKODQORBQUOO-UHFFFAOYSA-N 1 3 335.536 3.023 10 0 EGAEHO c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000377799638 458532628 /nfs/dbraw/zinc/53/26/28/458532628.db2.gz XFRXRLBESGPWPQ-MKXGPGLRSA-N 1 3 336.483 3.052 10 0 EGAEHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000377799638 458532629 /nfs/dbraw/zinc/53/26/29/458532629.db2.gz XFRXRLBESGPWPQ-MKXGPGLRSA-N 1 3 336.483 3.052 10 0 EGAEHO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCCCCC1 ZINC000468773279 458534429 /nfs/dbraw/zinc/53/44/29/458534429.db2.gz AUCWQIKZQNQEKO-VQTJNVASSA-N 1 3 349.563 3.366 10 0 EGAEHO COCc1cccc(OCC2(CN[C@@H]3CCCC[C@H]3[NH3+])CCC2)c1 ZINC000424292882 458606256 /nfs/dbraw/zinc/60/62/56/458606256.db2.gz OOBPNSKXCPFRTM-RTBURBONSA-N 1 3 332.488 3.242 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000530025698 458657988 /nfs/dbraw/zinc/65/79/88/458657988.db2.gz FUHKANPSWIWOKA-FQEVSTJZSA-N 1 3 343.515 3.275 10 0 EGAEHO COc1cccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000531693272 458960566 /nfs/dbraw/zinc/96/05/66/458960566.db2.gz BILDPMJEZCFCBK-HNNXBMFYSA-N 1 3 345.487 3.019 10 0 EGAEHO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000480620647 459209146 /nfs/dbraw/zinc/20/91/46/459209146.db2.gz VRIJXXJQENJMHO-SVFBPWRDSA-N 1 3 329.532 3.219 10 0 EGAEHO C[C@@H]1CCN(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000562495778 459572685 /nfs/dbraw/zinc/57/26/85/459572685.db2.gz SYYQIVHUTSINLS-AYWYSENESA-N 1 3 327.516 3.113 10 0 EGAEHO COC(=O)CC[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596595662 459690207 /nfs/dbraw/zinc/69/02/07/459690207.db2.gz ULCCLOQWTWHPTJ-HXUWFJFHSA-N 1 3 344.499 3.172 10 0 EGAEHO COC(=O)CC[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000596595662 459690213 /nfs/dbraw/zinc/69/02/13/459690213.db2.gz ULCCLOQWTWHPTJ-HXUWFJFHSA-N 1 3 344.499 3.172 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CC=CCC3)CC2)CC1 ZINC000529865532 459866625 /nfs/dbraw/zinc/86/66/25/459866625.db2.gz DXYQBMGXANCXBO-SFHVURJKSA-N 1 3 347.547 3.045 10 0 EGAEHO Cc1cccc(-c2noc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)n2)c1 ZINC000576457142 460143711 /nfs/dbraw/zinc/14/37/11/460143711.db2.gz AZBHTKPOZMLIFR-OAHLLOKOSA-N 1 3 326.444 3.009 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000600122553 460391274 /nfs/dbraw/zinc/39/12/74/460391274.db2.gz BUZNRLCTVWZANG-INIZCTEOSA-N 1 3 333.476 3.003 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000600122553 460391281 /nfs/dbraw/zinc/39/12/81/460391281.db2.gz BUZNRLCTVWZANG-INIZCTEOSA-N 1 3 333.476 3.003 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000623063774 460401321 /nfs/dbraw/zinc/40/13/21/460401321.db2.gz LHGDANYVJLNLRS-CQSZACIVSA-N 1 3 326.444 3.090 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1(C)C ZINC000623342824 460499307 /nfs/dbraw/zinc/49/93/07/460499307.db2.gz QBSUWRNHTTVMHK-AWEZNQCLSA-N 1 3 338.879 3.464 10 0 EGAEHO C[NH+]1CCC(CN[C@@H]2CCCc3scnc32)(N2CCCCC2)CC1 ZINC000623899435 460767129 /nfs/dbraw/zinc/76/71/29/460767129.db2.gz IYJINCRSYYPQPM-MRXNPFEDSA-N 1 3 348.560 3.060 10 0 EGAEHO CN1CCC(CN[C@@H]2CCCc3scnc32)([NH+]2CCCCC2)CC1 ZINC000623899435 460767138 /nfs/dbraw/zinc/76/71/38/460767138.db2.gz IYJINCRSYYPQPM-MRXNPFEDSA-N 1 3 348.560 3.060 10 0 EGAEHO C[NH2+]CCOCCN[C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000629528516 460795588 /nfs/dbraw/zinc/79/55/88/460795588.db2.gz BCQKZDKUNNUBPU-INIZCTEOSA-N 1 3 345.512 3.322 10 0 EGAEHO C[NH2+]CCOCCN[C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000629528517 460796592 /nfs/dbraw/zinc/79/65/92/460796592.db2.gz BCQKZDKUNNUBPU-MRXNPFEDSA-N 1 3 345.512 3.322 10 0 EGAEHO C[NH2+]CCOCCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000629529204 460798279 /nfs/dbraw/zinc/79/82/79/460798279.db2.gz VFJSLSAYAFEOFQ-HNNXBMFYSA-N 1 3 349.475 3.152 10 0 EGAEHO [NH3+]CCCOCCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000629534557 460799205 /nfs/dbraw/zinc/79/92/05/460799205.db2.gz AOUROROXXPJQPZ-HNNXBMFYSA-N 1 3 349.475 3.282 10 0 EGAEHO C[C@H]1CC2(CN1Cc1coc(-c3ccccc3F)n1)CC[NH2+]CC2 ZINC000629536540 460799614 /nfs/dbraw/zinc/79/96/14/460799614.db2.gz GPDOXXZEFKHCBP-AWEZNQCLSA-N 1 3 329.419 3.445 10 0 EGAEHO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)cc1 ZINC000628337741 461093725 /nfs/dbraw/zinc/09/37/25/461093725.db2.gz POFOVVNVYIQPNQ-AVRDEDQJSA-N 1 3 338.495 3.455 10 0 EGAEHO O=C(CN1CCC[C@@H](C2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662199898 461112736 /nfs/dbraw/zinc/11/27/36/461112736.db2.gz BHBHQIWSWHCRJG-GOSISDBHSA-N 1 3 347.547 3.022 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2ccccc2Cl)C1 ZINC000652360354 461154906 /nfs/dbraw/zinc/15/49/06/461154906.db2.gz FYUFYSUOEDEEPH-HFTRVMKXSA-N 1 3 338.879 3.080 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCSc2ccc(F)cc2)C1 ZINC000662282578 461166242 /nfs/dbraw/zinc/16/62/42/461166242.db2.gz CPBYJPKELKHJKL-NXHRZFHOSA-N 1 3 338.492 3.279 10 0 EGAEHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298708 461177260 /nfs/dbraw/zinc/17/72/60/461177260.db2.gz XFXBWYZUXOFCFA-MJGOQNOKSA-N 1 3 343.515 3.342 10 0 EGAEHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662492411 461267924 /nfs/dbraw/zinc/26/79/24/461267924.db2.gz JXDJPFXLUQKUAH-FQEVSTJZSA-N 1 3 343.515 3.095 10 0 EGAEHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(C)c1O ZINC000668512401 461309475 /nfs/dbraw/zinc/30/94/75/461309475.db2.gz MHMOKKHINCVOKO-UHFFFAOYSA-N 1 3 339.483 3.406 10 0 EGAEHO c1ccc(CN2C[C@@H](C[NH2+]CC[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713300 461392721 /nfs/dbraw/zinc/39/27/21/461392721.db2.gz LWBMBVOCCNURJN-VQTJNVASSA-N 1 3 328.500 3.305 10 0 EGAEHO CC(C)CC[NH+]1CCC(CNCc2ccnn2-c2ccccn2)CC1 ZINC000647190035 461553464 /nfs/dbraw/zinc/55/34/64/461553464.db2.gz FNXWDUHHQRIOOO-UHFFFAOYSA-N 1 3 341.503 3.115 10 0 EGAEHO COc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c(OC)c1 ZINC000647248635 461588174 /nfs/dbraw/zinc/58/81/74/461588174.db2.gz NINPIZBYHIBBBK-QUCCMNQESA-N 1 3 340.467 3.139 10 0 EGAEHO CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249410 461590417 /nfs/dbraw/zinc/59/04/17/461590417.db2.gz YHCGATJIDUGBHF-UXHICEINSA-N 1 3 337.467 3.080 10 0 EGAEHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCCC2 ZINC000647292122 461616935 /nfs/dbraw/zinc/61/69/35/461616935.db2.gz QIDAVWFTEGXPQP-INIZCTEOSA-N 1 3 339.487 3.182 10 0 EGAEHO CC[N@H+](CCC1CCN(CCO[C@@H]2CC2(F)F)CC1)CC1CC1 ZINC000660168625 461619876 /nfs/dbraw/zinc/61/98/76/461619876.db2.gz WLJHNUCGGRPFMY-QGZVFWFLSA-N 1 3 330.463 3.245 10 0 EGAEHO CC[N@@H+](CCC1CCN(CCO[C@@H]2CC2(F)F)CC1)CC1CC1 ZINC000660168625 461619886 /nfs/dbraw/zinc/61/98/86/461619886.db2.gz WLJHNUCGGRPFMY-QGZVFWFLSA-N 1 3 330.463 3.245 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2ccsc21 ZINC000666425079 461620372 /nfs/dbraw/zinc/62/03/72/461620372.db2.gz IARNVRJTASHLDY-AWEZNQCLSA-N 1 3 348.516 3.295 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2ccsc21 ZINC000666425079 461620376 /nfs/dbraw/zinc/62/03/76/461620376.db2.gz IARNVRJTASHLDY-AWEZNQCLSA-N 1 3 348.516 3.295 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543538 461755980 /nfs/dbraw/zinc/75/59/80/461755980.db2.gz OZAIZFGRDMLCQK-HOTGVXAUSA-N 1 3 342.512 3.417 10 0 EGAEHO [NH3+][C@@H]1CCC[C@H](NCc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000666853917 461836207 /nfs/dbraw/zinc/83/62/07/461836207.db2.gz MSJFWPNVHQZENS-SJORKVTESA-N 1 3 339.487 3.420 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800431 461841194 /nfs/dbraw/zinc/84/11/94/461841194.db2.gz BAFLQUFBFDALMM-BBRMVZONSA-N 1 3 343.496 3.443 10 0 EGAEHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)[nH]c2c1 ZINC000657431929 462119733 /nfs/dbraw/zinc/11/97/33/462119733.db2.gz LCYKYCUZMPOVIB-OAQYLSRUSA-N 1 3 349.478 3.333 10 0 EGAEHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)[nH]c2c1 ZINC000657431929 462119740 /nfs/dbraw/zinc/11/97/40/462119740.db2.gz LCYKYCUZMPOVIB-OAQYLSRUSA-N 1 3 349.478 3.333 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccnc4ccccc34)cc2)C1 ZINC000657593585 462195118 /nfs/dbraw/zinc/19/51/18/462195118.db2.gz ASSLNJNLIOMUNJ-FQEVSTJZSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccnc4ccccc34)cc2)C1 ZINC000657593585 462195125 /nfs/dbraw/zinc/19/51/25/462195125.db2.gz ASSLNJNLIOMUNJ-FQEVSTJZSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)s3)cc2)C1 ZINC000657595013 462196301 /nfs/dbraw/zinc/19/63/01/462196301.db2.gz MFSPWOHPUSKPFH-OAHLLOKOSA-N 1 3 336.888 3.258 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)s3)cc2)C1 ZINC000657595013 462196307 /nfs/dbraw/zinc/19/63/07/462196307.db2.gz MFSPWOHPUSKPFH-OAHLLOKOSA-N 1 3 336.888 3.258 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657598077 462199750 /nfs/dbraw/zinc/19/97/50/462199750.db2.gz XXTKCVNYBZFPQK-MRXNPFEDSA-N 1 3 348.537 3.326 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657598077 462199757 /nfs/dbraw/zinc/19/97/57/462199757.db2.gz XXTKCVNYBZFPQK-MRXNPFEDSA-N 1 3 348.537 3.326 10 0 EGAEHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000667789113 462262796 /nfs/dbraw/zinc/26/27/96/462262796.db2.gz FGHKUJUPNWQMTM-QUCCMNQESA-N 1 3 332.488 3.064 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667821206 462279104 /nfs/dbraw/zinc/27/91/04/462279104.db2.gz XSBHSLCOWOQKSZ-TZIWHRDSSA-N 1 3 344.499 3.064 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972933 462355461 /nfs/dbraw/zinc/35/54/61/462355461.db2.gz CFEGRIWUZOLTIL-UQVNRYHBSA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972933 462355466 /nfs/dbraw/zinc/35/54/66/462355466.db2.gz CFEGRIWUZOLTIL-UQVNRYHBSA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972933 462355473 /nfs/dbraw/zinc/35/54/73/462355473.db2.gz CFEGRIWUZOLTIL-UQVNRYHBSA-N 1 3 326.484 3.054 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000658057171 462360937 /nfs/dbraw/zinc/36/09/37/462360937.db2.gz NODVTNJUFBGGDQ-WMZOPIPTSA-N 1 3 333.520 3.150 10 0 EGAEHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)c1ccccn1 ZINC000658063180 462363174 /nfs/dbraw/zinc/36/31/74/462363174.db2.gz JMJUJJBFMZHMAK-SJORKVTESA-N 1 3 327.472 3.476 10 0 EGAEHO COc1ccsc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658069261 462366392 /nfs/dbraw/zinc/36/63/92/462366392.db2.gz FAGIIFAWYFLWGR-CQSZACIVSA-N 1 3 338.517 3.298 10 0 EGAEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc2cnccc2o1 ZINC000658071074 462367194 /nfs/dbraw/zinc/36/71/94/462367194.db2.gz SSRVIIYGXYUFAO-HNNXBMFYSA-N 1 3 343.471 3.369 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCc2cccc(Br)c2C1 ZINC000665282004 462382693 /nfs/dbraw/zinc/38/26/93/462382693.db2.gz OLJKPLDBXFIQFG-CZUORRHYSA-N 1 3 325.294 3.269 10 0 EGAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000665282004 462382695 /nfs/dbraw/zinc/38/26/95/462382695.db2.gz OLJKPLDBXFIQFG-CZUORRHYSA-N 1 3 325.294 3.269 10 0 EGAEHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140269 462403748 /nfs/dbraw/zinc/40/37/48/462403748.db2.gz PGWDVDDTDNJCCZ-RBBKRZOGSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140269 462403752 /nfs/dbraw/zinc/40/37/52/462403752.db2.gz PGWDVDDTDNJCCZ-RBBKRZOGSA-N 1 3 336.479 3.339 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143232 462406618 /nfs/dbraw/zinc/40/66/18/462406618.db2.gz GKJGOBBEVMLRBM-MGPUTAFESA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143232 462406622 /nfs/dbraw/zinc/40/66/22/462406622.db2.gz GKJGOBBEVMLRBM-MGPUTAFESA-N 1 3 328.431 3.243 10 0 EGAEHO COc1cccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658143272 462407316 /nfs/dbraw/zinc/40/73/16/462407316.db2.gz HBCYRSZCTNNDPM-OXJNMPFZSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1cccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658143272 462407324 /nfs/dbraw/zinc/40/73/24/462407324.db2.gz HBCYRSZCTNNDPM-OXJNMPFZSA-N 1 3 340.467 3.113 10 0 EGAEHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000383697006 547821359 /nfs/dbraw/zinc/82/13/59/547821359.db2.gz ROXMITOBUIGQHZ-VIYGXFRKSA-N 1 3 328.500 3.444 10 0 EGAEHO CN1CCC(C[NH2+]Cc2scnc2C2CC2)(N2CCCCC2)CC1 ZINC000487299098 547972569 /nfs/dbraw/zinc/97/25/69/547972569.db2.gz TWDNVPKOJFHVIT-UHFFFAOYSA-N 1 3 348.560 3.060 10 0 EGAEHO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@@H]3CCC[C@@H]31)CCO2 ZINC000671761233 548355410 /nfs/dbraw/zinc/35/54/10/548355410.db2.gz XIKGRDSYHMVDMY-NXWXRZEISA-N 1 3 330.472 3.371 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@H]2CCOC2)CC1 ZINC000678152146 549412117 /nfs/dbraw/zinc/41/21/17/549412117.db2.gz XNHQLIWGTKMHDN-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@H]2CCOC2)CC1 ZINC000678152146 549412118 /nfs/dbraw/zinc/41/21/18/549412118.db2.gz XNHQLIWGTKMHDN-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO CCC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C[C@@H]1CCCCO1 ZINC000678240995 549438378 /nfs/dbraw/zinc/43/83/78/549438378.db2.gz BQHFOJMGUGWXAC-FQEVSTJZSA-N 1 3 334.504 3.408 10 0 EGAEHO CCC[N@H+](Cc1ccc(OCCN(C)C)cc1)C[C@@H]1CCCCO1 ZINC000678240995 549438381 /nfs/dbraw/zinc/43/83/81/549438381.db2.gz BQHFOJMGUGWXAC-FQEVSTJZSA-N 1 3 334.504 3.408 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@H](CN[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409237 550326163 /nfs/dbraw/zinc/32/61/63/550326163.db2.gz LRXYGJMZJLOPQL-LEWJYISDSA-N 1 3 335.495 3.377 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409237 550326164 /nfs/dbraw/zinc/32/61/64/550326164.db2.gz LRXYGJMZJLOPQL-LEWJYISDSA-N 1 3 335.495 3.377 10 0 EGAEHO Cc1sc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000386209187 1297588295 /nfs/dbraw/zinc/58/82/95/1297588295.db2.gz MMJVQYIONQDUPQ-TXEJJXNPSA-N 1 3 329.307 3.250 10 0 EGAEHO C[C@@H](NC(=O)[C@H](C)N(C)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000872155226 1296773291 /nfs/dbraw/zinc/77/32/91/1296773291.db2.gz OPTRSPPUOIZFGU-CABCVRRESA-N 1 3 339.911 3.357 10 0 EGAEHO CN1CCC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466297 1297583748 /nfs/dbraw/zinc/58/37/48/1297583748.db2.gz JPMMAFFOZHQYMB-GOSISDBHSA-N 1 3 347.503 3.285 10 0 EGAEHO C[N@@H+]1CCC[C@@H](NCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466297 1297583756 /nfs/dbraw/zinc/58/37/56/1297583756.db2.gz JPMMAFFOZHQYMB-GOSISDBHSA-N 1 3 347.503 3.285 10 0 EGAEHO C[N@H+]1CCC[C@@H](NCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466297 1297583761 /nfs/dbraw/zinc/58/37/61/1297583761.db2.gz JPMMAFFOZHQYMB-GOSISDBHSA-N 1 3 347.503 3.285 10 0 EGAEHO c1cc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)sn1 ZINC000883247233 1302330843 /nfs/dbraw/zinc/33/08/43/1302330843.db2.gz CRHDBLCDCNEFOF-NNZMDNLPSA-N 1 3 327.497 3.471 10 0 EGAEHO c1cc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sn1 ZINC000883247233 1302330854 /nfs/dbraw/zinc/33/08/54/1302330854.db2.gz CRHDBLCDCNEFOF-NNZMDNLPSA-N 1 3 327.497 3.471 10 0 EGAEHO CCOC(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OCC ZINC000886597010 1303517621 /nfs/dbraw/zinc/51/76/21/1303517621.db2.gz UBSKHQFSATZCON-UFYCRDLUSA-N 1 3 346.515 3.418 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000858227928 1328715904 /nfs/dbraw/zinc/71/59/04/1328715904.db2.gz SFJMSDRLCZYHJF-ULQDDVLXSA-N 1 3 349.519 3.135 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C12CCC2 ZINC000858227928 1328715909 /nfs/dbraw/zinc/71/59/09/1328715909.db2.gz SFJMSDRLCZYHJF-ULQDDVLXSA-N 1 3 349.519 3.135 10 0 EGAEHO C[N@@H+]1CCC[C@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842898 1328718087 /nfs/dbraw/zinc/71/80/87/1328718087.db2.gz FNCVPSDWXNRNEP-IRXDYDNUSA-N 1 3 336.520 3.305 10 0 EGAEHO C[N@H+]1CCC[C@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842898 1328718089 /nfs/dbraw/zinc/71/80/89/1328718089.db2.gz FNCVPSDWXNRNEP-IRXDYDNUSA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@H]2C[N@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842898 1328718094 /nfs/dbraw/zinc/71/80/94/1328718094.db2.gz FNCVPSDWXNRNEP-IRXDYDNUSA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@H]2C[N@@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842898 1328718098 /nfs/dbraw/zinc/71/80/98/1328718098.db2.gz FNCVPSDWXNRNEP-IRXDYDNUSA-N 1 3 336.520 3.305 10 0 EGAEHO Cc1nc(C)c(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000930169520 1328803126 /nfs/dbraw/zinc/80/31/26/1328803126.db2.gz AOZONZNCRIWDAO-UHFFFAOYSA-N 1 3 327.476 3.160 10 0 EGAEHO C[C@@H]1CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923502046 1322763603 /nfs/dbraw/zinc/76/36/03/1322763603.db2.gz WQFXIWCEACXSEW-KPFFTGBYSA-N 1 3 337.467 3.283 10 0 EGAEHO CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000924938628 1323220910 /nfs/dbraw/zinc/22/09/10/1323220910.db2.gz NBGZANQWKUVQFR-PCCBWWKXSA-N 1 3 330.516 3.202 10 0 EGAEHO CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000924938627 1323221781 /nfs/dbraw/zinc/22/17/81/1323221781.db2.gz NBGZANQWKUVQFR-HKBOAZHASA-N 1 3 330.516 3.202 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859929342 1329112161 /nfs/dbraw/zinc/11/21/61/1329112161.db2.gz XRRDZJXFCZJMJW-FDFHNCONSA-N 1 3 341.543 3.138 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859929342 1329112165 /nfs/dbraw/zinc/11/21/65/1329112165.db2.gz XRRDZJXFCZJMJW-FDFHNCONSA-N 1 3 341.543 3.138 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000925484379 1325171438 /nfs/dbraw/zinc/17/14/38/1325171438.db2.gz DNNJVWJYUFUPRO-LALPHHSUSA-N 1 3 330.394 3.234 10 0 EGAEHO COc1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OC(F)F ZINC000925510896 1325184339 /nfs/dbraw/zinc/18/43/39/1325184339.db2.gz BHOGMOXXLLWUFQ-OLZOCXBDSA-N 1 3 328.403 3.292 10 0 EGAEHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523636 1325189812 /nfs/dbraw/zinc/18/98/12/1325189812.db2.gz URPUDANDVAHSNJ-HUUCEWRRSA-N 1 3 335.289 3.340 10 0 EGAEHO CC1(C)C[C@@H](NCCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]([NH3+])C1 ZINC000925601698 1325228430 /nfs/dbraw/zinc/22/84/30/1325228430.db2.gz NCVRZTBQNAFZSF-CABCVRRESA-N 1 3 348.878 3.428 10 0 EGAEHO [NH3+][C@@H]1C[C@@H](NCCOCc2ccc(Cl)cc2Cl)C12CCC2 ZINC000925634375 1325241402 /nfs/dbraw/zinc/24/14/02/1325241402.db2.gz HQRCYMHFAKWKQE-HUUCEWRRSA-N 1 3 329.271 3.370 10 0 EGAEHO [NH3+][C@@H]1C[C@H](NCCOCc2ccc(Cl)cc2Cl)C12CCC2 ZINC000925634373 1325241090 /nfs/dbraw/zinc/24/10/90/1325241090.db2.gz HQRCYMHFAKWKQE-CABCVRRESA-N 1 3 329.271 3.370 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)s1 ZINC000925777535 1325298015 /nfs/dbraw/zinc/29/80/15/1325298015.db2.gz FGFBUMZIZJECPH-IUCAKERBSA-N 1 3 339.249 3.406 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(C)(C)CN2CCCC2)n(C)n1 ZINC000926275005 1325500699 /nfs/dbraw/zinc/50/06/99/1325500699.db2.gz MEZPVGYLDDNUNW-PKOBYXMFSA-N 1 3 332.536 3.151 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@@H]2C=C[C@H]4C[C@@H]2CO4)C3)cc1 ZINC000926939508 1327786067 /nfs/dbraw/zinc/78/60/67/1327786067.db2.gz VQGPEXVDHMILBO-GVUKCBQMSA-N 1 3 338.495 3.220 10 0 EGAEHO C[C@H](NCc1nc(C(F)(F)F)n2c1CCCC2)C1CC[NH+](C)CC1 ZINC000866557733 1330126070 /nfs/dbraw/zinc/12/60/70/1330126070.db2.gz DLKMFUIVESQSRF-LBPRGKRZSA-N 1 3 344.425 3.058 10 0 EGAEHO C[C@@H](NCc1nc(C(F)(F)F)n2c1CCCC2)C1CC[NH+](C)CC1 ZINC000866557732 1330126213 /nfs/dbraw/zinc/12/62/13/1330126213.db2.gz DLKMFUIVESQSRF-GFCCVEGCSA-N 1 3 344.425 3.058 10 0 EGAEHO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866707073 1330143466 /nfs/dbraw/zinc/14/34/66/1330143466.db2.gz LOUIYGCVWAIMRS-HXUWFJFHSA-N 1 3 347.503 3.111 10 0 EGAEHO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866707073 1330143467 /nfs/dbraw/zinc/14/34/67/1330143467.db2.gz LOUIYGCVWAIMRS-HXUWFJFHSA-N 1 3 347.503 3.111 10 0 EGAEHO CC(C)(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001323244600 1387316915 /nfs/dbraw/zinc/31/69/15/1387316915.db2.gz ARTWVFOEFHVGGX-RBUKOAKNSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001323244600 1387316917 /nfs/dbraw/zinc/31/69/17/1387316917.db2.gz ARTWVFOEFHVGGX-RBUKOAKNSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001324100401 1387542482 /nfs/dbraw/zinc/54/24/82/1387542482.db2.gz XGQQSPAPPLIMAE-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001324556317 1387672593 /nfs/dbraw/zinc/67/25/93/1387672593.db2.gz GRXOYEJRBOBLQC-PZJWPPBQSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001324556317 1387672594 /nfs/dbraw/zinc/67/25/94/1387672594.db2.gz GRXOYEJRBOBLQC-PZJWPPBQSA-N 1 3 349.563 3.223 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001265978420 1377174500 /nfs/dbraw/zinc/17/45/00/1377174500.db2.gz MLNGDZOMZKWEOL-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001265978420 1377174501 /nfs/dbraw/zinc/17/45/01/1377174501.db2.gz MLNGDZOMZKWEOL-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001266247623 1377245522 /nfs/dbraw/zinc/24/55/22/1377245522.db2.gz QJZYQTOWLIGRFF-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001266247623 1377245523 /nfs/dbraw/zinc/24/55/23/1377245523.db2.gz QJZYQTOWLIGRFF-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001266884484 1377399732 /nfs/dbraw/zinc/39/97/32/1377399732.db2.gz PLTDWYRERQMWCT-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001268271715 1377504824 /nfs/dbraw/zinc/50/48/24/1377504824.db2.gz SRCBAISGBWKSKT-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001268271715 1377504828 /nfs/dbraw/zinc/50/48/28/1377504828.db2.gz SRCBAISGBWKSKT-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001271090887 1377623765 /nfs/dbraw/zinc/62/37/65/1377623765.db2.gz BZLXJIDILRVCAJ-OXJNMPFZSA-N 1 3 345.531 3.087 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)CC(C)(C)C ZINC001277764520 1378248274 /nfs/dbraw/zinc/24/82/74/1378248274.db2.gz VQQJFSHFKXAHHC-IRXDYDNUSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001279367993 1378307239 /nfs/dbraw/zinc/30/72/39/1378307239.db2.gz DJCSRYBXQHEILM-UHFFFAOYSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001282957054 1378684157 /nfs/dbraw/zinc/68/41/57/1378684157.db2.gz CZHLURIHEFLSLA-HSALFYBXSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001282957054 1378684158 /nfs/dbraw/zinc/68/41/58/1378684158.db2.gz CZHLURIHEFLSLA-HSALFYBXSA-N 1 3 347.547 3.044 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2C1 ZINC001282957675 1378685144 /nfs/dbraw/zinc/68/51/44/1378685144.db2.gz IGOGBXLYIXQAQM-IPMKNSEASA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C(C)C)C[C@H]2C1 ZINC001282957675 1378685146 /nfs/dbraw/zinc/68/51/46/1378685146.db2.gz IGOGBXLYIXQAQM-IPMKNSEASA-N 1 3 337.552 3.124 10 0 EGAEHO CN(CC(=O)N1CCC([N@H+](C)CCCCCF)CC1)CC(C)(C)C ZINC001283332358 1378816246 /nfs/dbraw/zinc/81/62/46/1378816246.db2.gz YWCRPSWPAUGOFG-UHFFFAOYSA-N 1 3 343.531 3.027 10 0 EGAEHO CN(CC(=O)N1CCC([N@@H+](C)CCCCCF)CC1)CC(C)(C)C ZINC001283332358 1378816248 /nfs/dbraw/zinc/81/62/48/1378816248.db2.gz YWCRPSWPAUGOFG-UHFFFAOYSA-N 1 3 343.531 3.027 10 0 EGAEHO CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001283677016 1379104530 /nfs/dbraw/zinc/10/45/30/1379104530.db2.gz GZGJWRMCOVNBSS-AEFFLSMTSA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001283912732 1379263023 /nfs/dbraw/zinc/26/30/23/1379263023.db2.gz DCOVLNTXAIWHNO-AEFFLSMTSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001284104906 1379478915 /nfs/dbraw/zinc/47/89/15/1379478915.db2.gz ZVZWUKRLOFPVTD-GUDVDZBRSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554081 1379962953 /nfs/dbraw/zinc/96/29/53/1379962953.db2.gz YRTRIYRYIOZKTC-VQTJNVASSA-N 1 3 345.531 3.183 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554081 1379962954 /nfs/dbraw/zinc/96/29/54/1379962954.db2.gz YRTRIYRYIOZKTC-VQTJNVASSA-N 1 3 345.531 3.183 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284558486 1379967461 /nfs/dbraw/zinc/96/74/61/1379967461.db2.gz MPDQEAOOSQAQTD-SJLPKXTDSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284558486 1379967463 /nfs/dbraw/zinc/96/74/63/1379967463.db2.gz MPDQEAOOSQAQTD-SJLPKXTDSA-N 1 3 349.494 3.007 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCCCC1 ZINC001284630355 1380033535 /nfs/dbraw/zinc/03/35/35/1380033535.db2.gz GJMLRZJCALKNHH-AEFFLSMTSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084409 1388666801 /nfs/dbraw/zinc/66/68/01/1388666801.db2.gz YIIUKYQAVRTKIY-OZSKJFCKSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084409 1388666804 /nfs/dbraw/zinc/66/68/04/1388666804.db2.gz YIIUKYQAVRTKIY-OZSKJFCKSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001328101337 1388671995 /nfs/dbraw/zinc/67/19/95/1388671995.db2.gz FCHBYSDWVTVRHE-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C1 ZINC001328101337 1388671998 /nfs/dbraw/zinc/67/19/98/1388671998.db2.gz FCHBYSDWVTVRHE-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001290954641 1382117285 /nfs/dbraw/zinc/11/72/85/1382117285.db2.gz QLAVHSZYKIJNGI-JKSUJKDBSA-N 1 3 342.487 3.284 10 0 EGAEHO C[C@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC001290954641 1382117289 /nfs/dbraw/zinc/11/72/89/1382117289.db2.gz QLAVHSZYKIJNGI-JKSUJKDBSA-N 1 3 342.487 3.284 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600918 1384467778 /nfs/dbraw/zinc/46/77/78/1384467778.db2.gz CVUPBIMZCDQGOE-ZWKOTPCHSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600918 1384467780 /nfs/dbraw/zinc/46/77/80/1384467780.db2.gz CVUPBIMZCDQGOE-ZWKOTPCHSA-N 1 3 337.552 3.220 10 0 EGAEHO CC1CCC(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)N3CCCC3)C2)CC1 ZINC001316634114 1384496421 /nfs/dbraw/zinc/49/64/21/1384496421.db2.gz AFONLVOXLYKWPC-NZKYNAJMSA-N 1 3 349.563 3.172 10 0 EGAEHO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001316652768 1384506613 /nfs/dbraw/zinc/50/66/13/1384506613.db2.gz PPXVANZAGIRQPR-ZIFCJYIRSA-N 1 3 343.515 3.106 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001316663888 1384510894 /nfs/dbraw/zinc/51/08/94/1384510894.db2.gz KDYLXRSGBOLOBL-DFQSSKMNSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001316667594 1384513013 /nfs/dbraw/zinc/51/30/13/1384513013.db2.gz XZNJBAXZYADCMI-QFBILLFUSA-N 1 3 331.504 3.036 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811622 1384609478 /nfs/dbraw/zinc/60/94/78/1384609478.db2.gz NPYOUZHHYHLLQT-RTBURBONSA-N 1 3 345.531 3.134 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811622 1384609485 /nfs/dbraw/zinc/60/94/85/1384609485.db2.gz NPYOUZHHYHLLQT-RTBURBONSA-N 1 3 345.531 3.134 10 0 EGAEHO C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001316874759 1384659907 /nfs/dbraw/zinc/65/99/07/1384659907.db2.gz CWAYKRQYBWFHCN-WBVHZDCISA-N 1 3 334.508 3.138 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001316997143 1384753933 /nfs/dbraw/zinc/75/39/33/1384753933.db2.gz CKNBVPBXZXMSRZ-ROUUACIJSA-N 1 3 335.536 3.020 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099922 1384863567 /nfs/dbraw/zinc/86/35/67/1384863567.db2.gz LEXYIKIXMDKYSI-WWTANLFGSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099922 1384863569 /nfs/dbraw/zinc/86/35/69/1384863569.db2.gz LEXYIKIXMDKYSI-WWTANLFGSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001317124412 1384882206 /nfs/dbraw/zinc/88/22/06/1384882206.db2.gz LMJVROIQIUXWLS-KDURUIRLSA-N 1 3 345.531 3.063 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317139679 1384906455 /nfs/dbraw/zinc/90/64/55/1384906455.db2.gz MXQPTTZNLGIGAG-RBUKOAKNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317139679 1384906456 /nfs/dbraw/zinc/90/64/56/1384906456.db2.gz MXQPTTZNLGIGAG-RBUKOAKNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001317183043 1384958806 /nfs/dbraw/zinc/95/88/06/1384958806.db2.gz MDIOKYATQGOLIG-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001317225470 1385004933 /nfs/dbraw/zinc/00/49/33/1385004933.db2.gz DPTUZLNKWWLDLS-GTPINHCMSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001317306079 1385072537 /nfs/dbraw/zinc/07/25/37/1385072537.db2.gz VBYNNHCWAZAGHN-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317345474 1385095962 /nfs/dbraw/zinc/09/59/62/1385095962.db2.gz AUCYRFXTLHKUBM-SFFCAUCYSA-N 1 3 343.515 3.156 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccc1F)N(C)C ZINC001317424906 1385131519 /nfs/dbraw/zinc/13/15/19/1385131519.db2.gz VEXMRJWNDLDGRN-IEBWSBKVSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccccc1F)N(C)C ZINC001317424906 1385131521 /nfs/dbraw/zinc/13/15/21/1385131521.db2.gz VEXMRJWNDLDGRN-IEBWSBKVSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317527459 1385249216 /nfs/dbraw/zinc/24/92/16/1385249216.db2.gz DEYZTUKWUYZPTA-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317527459 1385249218 /nfs/dbraw/zinc/24/92/18/1385249218.db2.gz DEYZTUKWUYZPTA-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc2ccccc2s1 ZINC001698615953 1406248595 /nfs/dbraw/zinc/24/85/95/1406248595.db2.gz AUXLPGSFVCREGQ-INIZCTEOSA-N 1 3 347.528 3.226 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]CC2(NC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001318670775 1385828756 /nfs/dbraw/zinc/82/87/56/1385828756.db2.gz MPDIEEYFADAKAC-UHFFFAOYSA-N 1 3 345.531 3.162 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001319009102 1385922468 /nfs/dbraw/zinc/92/24/68/1385922468.db2.gz RENVIHSMPIEEGK-LJQANCHMSA-N 1 3 331.504 3.067 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001698627863 1406270415 /nfs/dbraw/zinc/27/04/15/1406270415.db2.gz XJWDUKSAWQKRLB-IBGZPJMESA-N 1 3 349.563 3.458 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(CC[N@H+](C)CC2CCCC2)CC1 ZINC001319887587 1386363291 /nfs/dbraw/zinc/36/32/91/1386363291.db2.gz GGYAXWIATZDWKW-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(CC[N@@H+](C)CC2CCCC2)CC1 ZINC001319887587 1386363297 /nfs/dbraw/zinc/36/32/97/1386363297.db2.gz GGYAXWIATZDWKW-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001321662848 1386953380 /nfs/dbraw/zinc/95/33/80/1386953380.db2.gz KFMHPCVMYJBNRI-XLIONFOSSA-N 1 3 345.531 3.106 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001698689612 1406335095 /nfs/dbraw/zinc/33/50/95/1406335095.db2.gz GGFCQAAAKSXESB-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341703 1387163774 /nfs/dbraw/zinc/16/37/74/1387163774.db2.gz YYXPBFTXJRJRGI-RBUKOAKNSA-N 1 3 347.547 3.236 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001329256500 1389037924 /nfs/dbraw/zinc/03/79/24/1389037924.db2.gz HHVPXPBSXFDPDK-CTWPCTMYSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001698711413 1406353740 /nfs/dbraw/zinc/35/37/40/1406353740.db2.gz KPIBRSPYSZHKOA-WNOVQSLWSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC001329570250 1389160502 /nfs/dbraw/zinc/16/05/02/1389160502.db2.gz DCPVVYYQPLAJQV-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001329570250 1389160505 /nfs/dbraw/zinc/16/05/05/1389160505.db2.gz DCPVVYYQPLAJQV-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](C)C[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001329818573 1389230728 /nfs/dbraw/zinc/23/07/28/1389230728.db2.gz KXMKVGMAHSXFOV-ZWKOTPCHSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342341 1390091697 /nfs/dbraw/zinc/09/16/97/1390091697.db2.gz UCRLYLQVZMKKSX-RBUKOAKNSA-N 1 3 349.563 3.172 10 0 EGAEHO C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001731999536 1428209075 /nfs/dbraw/zinc/20/90/75/1428209075.db2.gz FSUBQDHIVZKRQB-MSOLQXFVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001479328086 1392215803 /nfs/dbraw/zinc/21/58/03/1392215803.db2.gz LIEABWRZTWTKMM-BQWVTDQKSA-N 1 3 335.536 3.090 10 0 EGAEHO Cc1ccc(CN2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001479913141 1392480825 /nfs/dbraw/zinc/48/08/25/1392480825.db2.gz PMKISBHJLHPLDV-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CCCN(C)CC(=O)N(CCC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001479996135 1392527997 /nfs/dbraw/zinc/52/79/97/1392527997.db2.gz XUEGRWQYMGWBNJ-UHFFFAOYSA-N 1 3 339.568 3.467 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)N1CCCCCC1 ZINC001480051391 1392551909 /nfs/dbraw/zinc/55/19/09/1392551909.db2.gz QIILDZPTZQDXRD-YLJYHZDGSA-N 1 3 347.547 3.236 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189625 1392619178 /nfs/dbraw/zinc/61/91/78/1392619178.db2.gz PYQBDHCDKDMAFA-JROGSOPMSA-N 1 3 344.503 3.012 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189625 1392619180 /nfs/dbraw/zinc/61/91/80/1392619180.db2.gz PYQBDHCDKDMAFA-JROGSOPMSA-N 1 3 344.503 3.012 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21)CC(C)(C)C ZINC001480190242 1392620077 /nfs/dbraw/zinc/62/00/77/1392620077.db2.gz YOPOVCKDUQHLMC-MOPGFXCFSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21)CC(C)(C)C ZINC001480190242 1392620080 /nfs/dbraw/zinc/62/00/80/1392620080.db2.gz YOPOVCKDUQHLMC-MOPGFXCFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001480307957 1392669353 /nfs/dbraw/zinc/66/93/53/1392669353.db2.gz YBVJUDBCTYEILX-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384971 1392729394 /nfs/dbraw/zinc/72/93/94/1392729394.db2.gz YWAZLHLEJHORIG-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384971 1392729397 /nfs/dbraw/zinc/72/93/97/1392729397.db2.gz YWAZLHLEJHORIG-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001480405812 1392743276 /nfs/dbraw/zinc/74/32/76/1392743276.db2.gz KCXXMGXGMGJFTH-UHFFFAOYSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595518 1392811118 /nfs/dbraw/zinc/81/11/18/1392811118.db2.gz BTXAPQKCLDIBQE-SJORKVTESA-N 1 3 347.547 3.480 10 0 EGAEHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C(C)(C)C)cc1 ZINC001481056562 1393108263 /nfs/dbraw/zinc/10/82/63/1393108263.db2.gz RGWIROISLRMLQJ-LJQANCHMSA-N 1 3 345.531 3.016 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001481294788 1393159778 /nfs/dbraw/zinc/15/97/78/1393159778.db2.gz GPDDNJBNZGEULV-UHFFFAOYSA-N 1 3 345.531 3.090 10 0 EGAEHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001481315273 1393162443 /nfs/dbraw/zinc/16/24/43/1393162443.db2.gz UNRJBRIGVXSQML-QGZVFWFLSA-N 1 3 345.531 3.189 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481327302 1393164408 /nfs/dbraw/zinc/16/44/08/1393164408.db2.gz FAOPPELLJUASKY-PXNSSMCTSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)N1CCCCC1 ZINC001490888579 1394368032 /nfs/dbraw/zinc/36/80/32/1394368032.db2.gz CRSORNNHFJUZNK-WGSAOQKQSA-N 1 3 349.563 3.458 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N(CC)CC ZINC001481528227 1394382531 /nfs/dbraw/zinc/38/25/31/1394382531.db2.gz BBMPRXSWEFDATG-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N(CC)CC ZINC001481528227 1394382536 /nfs/dbraw/zinc/38/25/36/1394382536.db2.gz BBMPRXSWEFDATG-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001491125903 1394442369 /nfs/dbraw/zinc/44/23/69/1394442369.db2.gz QUBFKKVMTXKUQE-LJQANCHMSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001491125903 1394442371 /nfs/dbraw/zinc/44/23/71/1394442371.db2.gz QUBFKKVMTXKUQE-LJQANCHMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001491210642 1394472755 /nfs/dbraw/zinc/47/27/55/1394472755.db2.gz SRQCMMACESLHJV-PMACEKPBSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001491210642 1394472759 /nfs/dbraw/zinc/47/27/59/1394472759.db2.gz SRQCMMACESLHJV-PMACEKPBSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001491210644 1394473107 /nfs/dbraw/zinc/47/31/07/1394473107.db2.gz SRQCMMACESLHJV-VQTJNVASSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001491210644 1394473109 /nfs/dbraw/zinc/47/31/09/1394473109.db2.gz SRQCMMACESLHJV-VQTJNVASSA-N 1 3 343.515 3.032 10 0 EGAEHO CCCCC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001481959730 1394620036 /nfs/dbraw/zinc/62/00/36/1394620036.db2.gz AYWPULONEYMHNY-HNAYVOBHSA-N 1 3 334.508 3.106 10 0 EGAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001482231636 1394826448 /nfs/dbraw/zinc/82/64/48/1394826448.db2.gz UMEGWRVAFRNURV-SFHVURJKSA-N 1 3 335.536 3.234 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001482432722 1394993136 /nfs/dbraw/zinc/99/31/36/1394993136.db2.gz IDALENXPZUTOLV-IRXDYDNUSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060944 1395224011 /nfs/dbraw/zinc/22/40/11/1395224011.db2.gz NDXQZXMBXSJKDX-YLJYHZDGSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060944 1395224016 /nfs/dbraw/zinc/22/40/16/1395224016.db2.gz NDXQZXMBXSJKDX-YLJYHZDGSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001484173173 1395316226 /nfs/dbraw/zinc/31/62/26/1395316226.db2.gz CLGKPGASBIQPJR-FQEVSTJZSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001484173173 1395316232 /nfs/dbraw/zinc/31/62/32/1395316232.db2.gz CLGKPGASBIQPJR-FQEVSTJZSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001484390964 1395361251 /nfs/dbraw/zinc/36/12/51/1395361251.db2.gz KDVWFJKKGLYHNQ-REPLKXPHSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001484390964 1395361255 /nfs/dbraw/zinc/36/12/55/1395361255.db2.gz KDVWFJKKGLYHNQ-REPLKXPHSA-N 1 3 349.563 3.290 10 0 EGAEHO CCCC[NH2+][C@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001484559295 1395442531 /nfs/dbraw/zinc/44/25/31/1395442531.db2.gz PGUKDLOLYMFFNZ-MRXNPFEDSA-N 1 3 331.504 3.238 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001485110807 1395660064 /nfs/dbraw/zinc/66/00/64/1395660064.db2.gz WXFBFBLVPJNQMN-SOAGJPPSSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485303835 1395780588 /nfs/dbraw/zinc/78/05/88/1395780588.db2.gz SOQRNHKFDACUIB-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485303835 1395780592 /nfs/dbraw/zinc/78/05/92/1395780592.db2.gz SOQRNHKFDACUIB-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)[C@H](C)c1cccc(F)c1 ZINC001485336453 1395809077 /nfs/dbraw/zinc/80/90/77/1395809077.db2.gz KREFCUYBWVHINA-HZPDHXFCSA-N 1 3 349.494 3.198 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CCCCC1 ZINC001485359042 1395834682 /nfs/dbraw/zinc/83/46/82/1395834682.db2.gz SKVKCKZBYJGPGO-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CCCCC1 ZINC001485359042 1395834689 /nfs/dbraw/zinc/83/46/89/1395834689.db2.gz SKVKCKZBYJGPGO-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378375 1395860836 /nfs/dbraw/zinc/86/08/36/1395860836.db2.gz VMHSFMGNZOBHQR-QFBILLFUSA-N 1 3 333.520 3.087 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001485378375 1395860838 /nfs/dbraw/zinc/86/08/38/1395860838.db2.gz VMHSFMGNZOBHQR-QFBILLFUSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001485683143 1396103656 /nfs/dbraw/zinc/10/36/56/1396103656.db2.gz HCBATCAYAXVOES-UFYCRDLUSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001485683163 1396103847 /nfs/dbraw/zinc/10/38/47/1396103847.db2.gz HMYYRVDEZIRWLM-VJANTYMQSA-N 1 3 337.552 3.026 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN(C)CC(C)(C)C ZINC001486123720 1396178771 /nfs/dbraw/zinc/17/87/71/1396178771.db2.gz GXJORWLZQXRPEM-IRXDYDNUSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1)N(C)C ZINC001492164926 1396310937 /nfs/dbraw/zinc/31/09/37/1396310937.db2.gz JJMGYAKRBPOYAU-OALUTQOASA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccc(F)c1)N(C)C ZINC001492164926 1396310938 /nfs/dbraw/zinc/31/09/38/1396310938.db2.gz JJMGYAKRBPOYAU-OALUTQOASA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)=CCN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001493123155 1396336136 /nfs/dbraw/zinc/33/61/36/1396336136.db2.gz CVZHOWKBUGYQSJ-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001495917777 1396572429 /nfs/dbraw/zinc/57/24/29/1396572429.db2.gz GBYNCGWRUYUPMM-QGZVFWFLSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001495963803 1396579155 /nfs/dbraw/zinc/57/91/55/1396579155.db2.gz RHUILRSVDAQBGE-QZTJIDSGSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001496338246 1396655078 /nfs/dbraw/zinc/65/50/78/1396655078.db2.gz FGBOKBBZDSURGA-MSOLQXFVSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C ZINC001497678163 1396780545 /nfs/dbraw/zinc/78/05/45/1396780545.db2.gz CMUMKYWHQPBMNL-QZEKMECESA-N 1 3 345.531 3.296 10 0 EGAEHO CCc1ncc(C(=O)NCC=CC[NH2+]C2CCc3ccccc32)s1 ZINC001497767010 1396837403 /nfs/dbraw/zinc/83/74/03/1396837403.db2.gz VOWAKMXBNAPEOS-SQRWCISFSA-N 1 3 341.480 3.269 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC1CCC1)N(C)C ZINC001689091934 1396897391 /nfs/dbraw/zinc/89/73/91/1396897391.db2.gz XGGPXLGNPSEJQT-NZSAHSFTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCCCC1 ZINC001689859461 1404173830 /nfs/dbraw/zinc/17/38/30/1404173830.db2.gz QHKNTYMOPHHUPH-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCCCC1 ZINC001689859461 1404173831 /nfs/dbraw/zinc/17/38/31/1404173831.db2.gz QHKNTYMOPHHUPH-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123092 1404317121 /nfs/dbraw/zinc/31/71/21/1404317121.db2.gz IPEXCDCVOLQSMC-OALUTQOASA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189454 1404391482 /nfs/dbraw/zinc/39/14/82/1404391482.db2.gz UDOFJTBASKCFPM-QULHZPMSSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690189454 1404391489 /nfs/dbraw/zinc/39/14/89/1404391489.db2.gz UDOFJTBASKCFPM-QULHZPMSSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690194697 1404401728 /nfs/dbraw/zinc/40/17/28/1404401728.db2.gz MCIUCYYZFMROEH-HEVSSNLLSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690194697 1404401731 /nfs/dbraw/zinc/40/17/31/1404401731.db2.gz MCIUCYYZFMROEH-HEVSSNLLSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502579 1404616131 /nfs/dbraw/zinc/61/61/31/1404616131.db2.gz ZWZBUOFBRSNBAE-RJCMGOLDSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502579 1404616135 /nfs/dbraw/zinc/61/61/35/1404616135.db2.gz ZWZBUOFBRSNBAE-RJCMGOLDSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001690610814 1404651484 /nfs/dbraw/zinc/65/14/84/1404651484.db2.gz VETZIUUSFQCCLI-KRWDZBQOSA-N 1 3 345.531 3.108 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001690610750 1404651581 /nfs/dbraw/zinc/65/15/81/1404651581.db2.gz UCVWEGZYBQREJM-INIZCTEOSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788982 1404735965 /nfs/dbraw/zinc/73/59/65/1404735965.db2.gz YEBYAYRLYBFFLU-RBUKOAKNSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691113931 1405054531 /nfs/dbraw/zinc/05/45/31/1405054531.db2.gz YLMQHEIIKQMJGM-RTBURBONSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001691428082 1405261886 /nfs/dbraw/zinc/26/18/86/1405261886.db2.gz IVGOLPZMYHPPJO-MISYRCLQSA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001691428082 1405261889 /nfs/dbraw/zinc/26/18/89/1405261889.db2.gz IVGOLPZMYHPPJO-MISYRCLQSA-N 1 3 349.563 3.122 10 0 EGAEHO C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC001691760988 1405476123 /nfs/dbraw/zinc/47/61/23/1405476123.db2.gz PCSLLZQXYMXQOA-QUCCMNQESA-N 1 3 343.515 3.032 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691785926 1405494514 /nfs/dbraw/zinc/49/45/14/1405494514.db2.gz IXHREGORIJLRKT-WNOVQSLWSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691832289 1405546119 /nfs/dbraw/zinc/54/61/19/1405546119.db2.gz ZDKQIRVUKUXZGF-HNBVOPMISA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691874493 1405597649 /nfs/dbraw/zinc/59/76/49/1405597649.db2.gz BOJDZAVSDOLHGL-ZWKOTPCHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001691955389 1405673389 /nfs/dbraw/zinc/67/33/89/1405673389.db2.gz SEGKXHLFIIFBNF-DFQSSKMNSA-N 1 3 345.531 3.352 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601960 1406227622 /nfs/dbraw/zinc/22/76/22/1406227622.db2.gz XQTIMPYXTHEVFK-MOPGFXCFSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1 ZINC001732024391 1428242721 /nfs/dbraw/zinc/24/27/21/1428242721.db2.gz KTGDUXAQLAUINY-RBUKOAKNSA-N 1 3 331.504 3.106 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036555 1428258571 /nfs/dbraw/zinc/25/85/71/1428258571.db2.gz GRWASPRVFRPXHN-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001732036555 1428258573 /nfs/dbraw/zinc/25/85/73/1428258573.db2.gz GRWASPRVFRPXHN-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)(C(=O)NCC1C[NH+](CCC2CCCCCC2)C1)N1CCCC1 ZINC001732132522 1428379072 /nfs/dbraw/zinc/37/90/72/1428379072.db2.gz PPTCUDSRHFDYBN-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213439 1428461752 /nfs/dbraw/zinc/46/17/52/1428461752.db2.gz ZXVHJRNQQMAARX-FUHWJXTLSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001732424256 1428575514 /nfs/dbraw/zinc/57/55/14/1428575514.db2.gz DJHOYFZFDCTDEU-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001732454402 1428588998 /nfs/dbraw/zinc/58/89/98/1428588998.db2.gz GDOZBSCBFHEMQM-KRWDZBQOSA-N 1 3 345.531 3.379 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001699732573 1413144304 /nfs/dbraw/zinc/14/43/04/1413144304.db2.gz HFJQFKKGWGDULE-XXCOWLKOSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1)N1CCCCC1 ZINC001699798292 1413208368 /nfs/dbraw/zinc/20/83/68/1413208368.db2.gz FYHPPMKFEXWKQR-UXHICEINSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001699842351 1413271316 /nfs/dbraw/zinc/27/13/16/1413271316.db2.gz WZSPBIVLJAOSRI-PXNSSMCTSA-N 1 3 339.568 3.227 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699937831 1413381097 /nfs/dbraw/zinc/38/10/97/1413381097.db2.gz VDEFNFKOIWRJNG-BTFXCVNISA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018399 1413464637 /nfs/dbraw/zinc/46/46/37/1413464637.db2.gz YLKRNDVGBNOXLQ-IRXDYDNUSA-N 1 3 346.519 3.189 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018399 1413464640 /nfs/dbraw/zinc/46/46/40/1413464640.db2.gz YLKRNDVGBNOXLQ-IRXDYDNUSA-N 1 3 346.519 3.189 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001700100629 1413518337 /nfs/dbraw/zinc/51/83/37/1413518337.db2.gz WRDBNIJAYWBVRE-ROUUACIJSA-N 1 3 343.515 3.261 10 0 EGAEHO CCc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700179027 1413589734 /nfs/dbraw/zinc/58/97/34/1413589734.db2.gz MWOIYEJTXYWBCM-VQTJNVASSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700179027 1413589739 /nfs/dbraw/zinc/58/97/39/1413589739.db2.gz MWOIYEJTXYWBCM-VQTJNVASSA-N 1 3 345.531 3.060 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361286 1413875282 /nfs/dbraw/zinc/87/52/82/1413875282.db2.gz BDHWENYIWLQLAS-HEVSSNLLSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361286 1413875285 /nfs/dbraw/zinc/87/52/85/1413875285.db2.gz BDHWENYIWLQLAS-HEVSSNLLSA-N 1 3 349.563 3.243 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001700677737 1414332356 /nfs/dbraw/zinc/33/23/56/1414332356.db2.gz GTPGDKFHCRSYOL-MSOLQXFVSA-N 1 3 345.531 3.415 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001700926006 1414579103 /nfs/dbraw/zinc/57/91/03/1414579103.db2.gz JCVGTJAUXWZYQK-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(C)C ZINC001700979990 1414619920 /nfs/dbraw/zinc/61/99/20/1414619920.db2.gz HRPQZLDOYHILMQ-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N(CC[N@@H+](C)CC1CC2(CCC2)C1)C(C)C ZINC001700979990 1414619924 /nfs/dbraw/zinc/61/99/24/1414619924.db2.gz HRPQZLDOYHILMQ-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001701005843 1414661100 /nfs/dbraw/zinc/66/11/00/1414661100.db2.gz PMMHISIGAYCYBA-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001701007273 1414664000 /nfs/dbraw/zinc/66/40/00/1414664000.db2.gz VHYBPIQEFFYPQI-OXUXSNCKSA-N 1 3 349.563 3.291 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001733035864 1429160651 /nfs/dbraw/zinc/16/06/51/1429160651.db2.gz OUILUADHECNVPM-MRDYICJFSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001733035864 1429160653 /nfs/dbraw/zinc/16/06/53/1429160653.db2.gz OUILUADHECNVPM-MRDYICJFSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707057964 1417173795 /nfs/dbraw/zinc/17/37/95/1417173795.db2.gz CQKHXWYSNDXEHF-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCN1CCC1CCCC1)[NH+]1CCCC1 ZINC001707062230 1417177845 /nfs/dbraw/zinc/17/78/45/1417177845.db2.gz LTWHBSYVNYPAFF-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(C)C)c1 ZINC001707165730 1417226996 /nfs/dbraw/zinc/22/69/96/1417226996.db2.gz MMXXRZHUAPLRMP-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253614 1417266979 /nfs/dbraw/zinc/26/69/79/1417266979.db2.gz XYUPUTLQJDLBLK-RTFJMEGXSA-N 1 3 349.563 3.432 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253614 1417266982 /nfs/dbraw/zinc/26/69/82/1417266982.db2.gz XYUPUTLQJDLBLK-RTFJMEGXSA-N 1 3 349.563 3.432 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001707276475 1417283741 /nfs/dbraw/zinc/28/37/41/1417283741.db2.gz NIZKYEZFUJVTNF-SFHVURJKSA-N 1 3 325.541 3.076 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001707276475 1417283744 /nfs/dbraw/zinc/28/37/44/1417283744.db2.gz NIZKYEZFUJVTNF-SFHVURJKSA-N 1 3 325.541 3.076 10 0 EGAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)c1ccccc1F ZINC001713027994 1417579572 /nfs/dbraw/zinc/57/95/72/1417579572.db2.gz PMUZCBLIXZIDJM-SJORKVTESA-N 1 3 349.494 3.057 10 0 EGAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C)c1ccccc1F ZINC001713027994 1417579573 /nfs/dbraw/zinc/57/95/73/1417579573.db2.gz PMUZCBLIXZIDJM-SJORKVTESA-N 1 3 349.494 3.057 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001713215643 1417790165 /nfs/dbraw/zinc/79/01/65/1417790165.db2.gz PKFOFEVKGZXBDH-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001713215643 1417790167 /nfs/dbraw/zinc/79/01/67/1417790167.db2.gz PKFOFEVKGZXBDH-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713278444 1417901998 /nfs/dbraw/zinc/90/19/98/1417901998.db2.gz DXVHXCBVBLODOZ-HKUYNNGSSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713278444 1417902002 /nfs/dbraw/zinc/90/20/02/1417902002.db2.gz DXVHXCBVBLODOZ-HKUYNNGSSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001713392821 1418006109 /nfs/dbraw/zinc/00/61/09/1418006109.db2.gz TVGPBYZJQNIOIO-RBUKOAKNSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001713392821 1418006112 /nfs/dbraw/zinc/00/61/12/1418006112.db2.gz TVGPBYZJQNIOIO-RBUKOAKNSA-N 1 3 337.552 3.362 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@H]1CCCCN1CC)CC1CC(C)(C)C1 ZINC001713552015 1418336935 /nfs/dbraw/zinc/33/69/35/1418336935.db2.gz JVKFLSPOBCGUKN-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)CC1CC(C)(C)C1 ZINC001713552015 1418336939 /nfs/dbraw/zinc/33/69/39/1418336939.db2.gz JVKFLSPOBCGUKN-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](CC1CCC(C)CC1)C(C)C ZINC001713695993 1418449772 /nfs/dbraw/zinc/44/97/72/1418449772.db2.gz RYNSPASGJPKTSP-UHFFFAOYSA-N 1 3 348.535 3.304 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](CC1CCC(C)CC1)C(C)C ZINC001713695993 1418449773 /nfs/dbraw/zinc/44/97/73/1418449773.db2.gz RYNSPASGJPKTSP-UHFFFAOYSA-N 1 3 348.535 3.304 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001714106313 1418905420 /nfs/dbraw/zinc/90/54/20/1418905420.db2.gz JFKAHZHARNPXGG-SJORKVTESA-N 1 3 325.541 3.170 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001714106312 1418905385 /nfs/dbraw/zinc/90/53/85/1418905385.db2.gz JFKAHZHARNPXGG-IRXDYDNUSA-N 1 3 325.541 3.170 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001714319615 1419098015 /nfs/dbraw/zinc/09/80/15/1419098015.db2.gz LUKYTESAHOEKET-BQTUVJDFSA-N 1 3 349.906 3.019 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001714319615 1419098019 /nfs/dbraw/zinc/09/80/19/1419098019.db2.gz LUKYTESAHOEKET-BQTUVJDFSA-N 1 3 349.906 3.019 10 0 EGAEHO CC(C)[C@H](C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571404 1419303362 /nfs/dbraw/zinc/30/33/62/1419303362.db2.gz CPNMVAYACRMPAC-QFBILLFUSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(C/C=C/c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714585568 1419327325 /nfs/dbraw/zinc/32/73/25/1419327325.db2.gz CGLIAYZNCZGXNZ-JLHYYAGUSA-N 1 3 343.515 3.012 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624493 1419393332 /nfs/dbraw/zinc/39/33/32/1419393332.db2.gz WTZAAJSEHQGAOB-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624493 1419393336 /nfs/dbraw/zinc/39/33/36/1419393336.db2.gz WTZAAJSEHQGAOB-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001714754474 1419495286 /nfs/dbraw/zinc/49/52/86/1419495286.db2.gz YFZUSIQDQWMQRJ-LPHOPBHVSA-N 1 3 343.531 3.216 10 0 EGAEHO C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001714840665 1419552956 /nfs/dbraw/zinc/55/29/56/1419552956.db2.gz XICWZYDRTNVSOU-AEFFLSMTSA-N 1 3 349.494 3.056 10 0 EGAEHO CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001715315591 1420024592 /nfs/dbraw/zinc/02/45/92/1420024592.db2.gz BXSWSCAZXIWHCA-LJQANCHMSA-N 1 3 349.563 3.366 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001715365041 1420062255 /nfs/dbraw/zinc/06/22/55/1420062255.db2.gz REFNZOPWAQTBCN-LPHOPBHVSA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001715497316 1420178814 /nfs/dbraw/zinc/17/88/14/1420178814.db2.gz GHYIKJMXEQQQJU-UHFFFAOYSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001715497316 1420178817 /nfs/dbraw/zinc/17/88/17/1420178817.db2.gz GHYIKJMXEQQQJU-UHFFFAOYSA-N 1 3 345.531 3.087 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001715535635 1420229924 /nfs/dbraw/zinc/22/99/24/1420229924.db2.gz DIDBNDLQOFMEPN-PMACEKPBSA-N 1 3 345.531 3.006 10 0 EGAEHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCC2CCCCCC2)CCC1 ZINC001715827057 1420359080 /nfs/dbraw/zinc/35/90/80/1420359080.db2.gz OLQCFUQONWFBLR-FPLPWBNLSA-N 1 3 335.536 3.093 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001716051535 1420515791 /nfs/dbraw/zinc/51/57/91/1420515791.db2.gz ZTAYFUVTAIPYSF-RTBURBONSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001716051535 1420515793 /nfs/dbraw/zinc/51/57/93/1420515793.db2.gz ZTAYFUVTAIPYSF-RTBURBONSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001716351536 1420614879 /nfs/dbraw/zinc/61/48/79/1420614879.db2.gz ZANPCTCTJLPISY-OVKVCFKUSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001716351535 1420615034 /nfs/dbraw/zinc/61/50/34/1420615034.db2.gz ZANPCTCTJLPISY-LIXSYLKWSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]([NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC001716567383 1420762807 /nfs/dbraw/zinc/76/28/07/1420762807.db2.gz QJICQZDAJFWPAE-QGZVFWFLSA-N 1 3 333.520 3.164 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCCC2CCC2)CC1)N1CCCCC1 ZINC001716682196 1420836501 /nfs/dbraw/zinc/83/65/01/1420836501.db2.gz IUXYEULZCUSURM-UHFFFAOYSA-N 1 3 335.536 3.070 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001716683053 1420836960 /nfs/dbraw/zinc/83/69/60/1420836960.db2.gz RDOMKSLLXQFECO-MJGOQNOKSA-N 1 3 343.515 3.169 10 0 EGAEHO C[C@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1)c1cccc(Cl)c1 ZINC001716684974 1420838447 /nfs/dbraw/zinc/83/84/47/1420838447.db2.gz KYXZMNNFHAUPRR-AWEZNQCLSA-N 1 3 349.906 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001716695267 1420848416 /nfs/dbraw/zinc/84/84/16/1420848416.db2.gz CHLXOSAFHYPLOO-CTWPCTMYSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1CCC ZINC001716711486 1420864325 /nfs/dbraw/zinc/86/43/25/1420864325.db2.gz XAJIYXGLDNCCSG-CEXWTWQISA-N 1 3 335.536 3.116 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1CCC ZINC001716711486 1420864326 /nfs/dbraw/zinc/86/43/26/1420864326.db2.gz XAJIYXGLDNCCSG-CEXWTWQISA-N 1 3 335.536 3.116 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001716796159 1420928925 /nfs/dbraw/zinc/92/89/25/1420928925.db2.gz QGKHRXALMHPYNV-SREVYHEPSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001716972340 1421057600 /nfs/dbraw/zinc/05/76/00/1421057600.db2.gz ZOCPUSDDIGAKDR-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001717130135 1421130970 /nfs/dbraw/zinc/13/09/70/1421130970.db2.gz LKRLUHFYSHFKJQ-UEKDZROGSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001717201946 1421169912 /nfs/dbraw/zinc/16/99/12/1421169912.db2.gz LLGBFMDKEGZCGG-ZWKOTPCHSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001717201946 1421169913 /nfs/dbraw/zinc/16/99/13/1421169913.db2.gz LLGBFMDKEGZCGG-ZWKOTPCHSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CCCCC2)CCC1 ZINC001717367908 1421303950 /nfs/dbraw/zinc/30/39/50/1421303950.db2.gz TYLWTOFIMHLKRX-IBGZPJMESA-N 1 3 349.563 3.364 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CCCCC2)CCC1 ZINC001717367908 1421303952 /nfs/dbraw/zinc/30/39/52/1421303952.db2.gz TYLWTOFIMHLKRX-IBGZPJMESA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717486637 1421423306 /nfs/dbraw/zinc/42/33/06/1421423306.db2.gz BLXQNJFMTPURFE-APWZRJJASA-N 1 3 343.531 3.216 10 0 EGAEHO CCCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717486637 1421423307 /nfs/dbraw/zinc/42/33/07/1421423307.db2.gz BLXQNJFMTPURFE-APWZRJJASA-N 1 3 343.531 3.216 10 0 EGAEHO CC/C=C\CC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001717526781 1421462598 /nfs/dbraw/zinc/46/25/98/1421462598.db2.gz MFKCSIUYZJWQGB-PLNGDYQASA-N 1 3 332.492 3.026 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCCN2CC)cc1 ZINC001717756798 1421620077 /nfs/dbraw/zinc/62/00/77/1421620077.db2.gz IQPVHEVHEGVIPU-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCCN2CC)cc1 ZINC001717756794 1421620215 /nfs/dbraw/zinc/62/02/15/1421620215.db2.gz IQPVHEVHEGVIPU-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001717856271 1421668707 /nfs/dbraw/zinc/66/87/07/1421668707.db2.gz QTPVXIMQBGMLME-MSOLQXFVSA-N 1 3 335.536 3.164 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001717856271 1421668709 /nfs/dbraw/zinc/66/87/09/1421668709.db2.gz QTPVXIMQBGMLME-MSOLQXFVSA-N 1 3 335.536 3.164 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001717895483 1421693220 /nfs/dbraw/zinc/69/32/20/1421693220.db2.gz MTQZZFZPIJIHCQ-KBOKABMXSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C(C)(C)C ZINC001717961413 1421733153 /nfs/dbraw/zinc/73/31/53/1421733153.db2.gz JLLGYHSMXNJIGI-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001733386026 1429573332 /nfs/dbraw/zinc/57/33/32/1429573332.db2.gz ZZIQPRDKFCWIBY-IEBWSBKVSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001733449194 1429660139 /nfs/dbraw/zinc/66/01/39/1429660139.db2.gz ZZCNPGWIJZEYSN-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001722916725 1424254149 /nfs/dbraw/zinc/25/41/49/1424254149.db2.gz OBQGEIJFOBWZFS-MAUKXSAKSA-N 1 3 337.483 3.054 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001722916725 1424254153 /nfs/dbraw/zinc/25/41/53/1424254153.db2.gz OBQGEIJFOBWZFS-MAUKXSAKSA-N 1 3 337.483 3.054 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](CC)C1 ZINC001723388166 1424382635 /nfs/dbraw/zinc/38/26/35/1424382635.db2.gz ZHIRDKJGNAMXJJ-OALUTQOASA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001724248656 1424754309 /nfs/dbraw/zinc/75/43/09/1424754309.db2.gz DZFRGZMLRQDYKM-OIDOJQHXSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001724261662 1424761738 /nfs/dbraw/zinc/76/17/38/1424761738.db2.gz GXXBMHWGANEDOQ-FQEVSTJZSA-N 1 3 337.552 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCCC1)C2 ZINC001724505608 1424881347 /nfs/dbraw/zinc/88/13/47/1424881347.db2.gz IGMCQMZRMSOVKL-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCCC1)C2 ZINC001724505608 1424881350 /nfs/dbraw/zinc/88/13/50/1424881350.db2.gz IGMCQMZRMSOVKL-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001724602572 1424934829 /nfs/dbraw/zinc/93/48/29/1424934829.db2.gz WQZCJOHEHZAMBW-ACDBMABISA-N 1 3 347.547 3.188 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001724602572 1424934834 /nfs/dbraw/zinc/93/48/34/1424934834.db2.gz WQZCJOHEHZAMBW-ACDBMABISA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](NC/C=C/Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745896 1425114809 /nfs/dbraw/zinc/11/48/09/1425114809.db2.gz UIDNFZGNGSPCPL-QPZHNVQWSA-N 1 3 349.906 3.046 10 0 EGAEHO C[C@H](NC/C=C/Cl)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001724745896 1425114810 /nfs/dbraw/zinc/11/48/10/1425114810.db2.gz UIDNFZGNGSPCPL-QPZHNVQWSA-N 1 3 349.906 3.046 10 0 EGAEHO CCCCCC[NH+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001724759891 1425131165 /nfs/dbraw/zinc/13/11/65/1425131165.db2.gz SAKCIEHTFPRUPK-OALUTQOASA-N 1 3 349.563 3.364 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CCCCCC1 ZINC001725099057 1425543647 /nfs/dbraw/zinc/54/36/47/1425543647.db2.gz JQXLADOZMWJRBJ-UXHICEINSA-N 1 3 349.563 3.364 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CCCCCC1 ZINC001725099057 1425543652 /nfs/dbraw/zinc/54/36/52/1425543652.db2.gz JQXLADOZMWJRBJ-UXHICEINSA-N 1 3 349.563 3.364 10 0 EGAEHO CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)C(C)(C)N1CCCC1 ZINC001725149764 1425633873 /nfs/dbraw/zinc/63/38/73/1425633873.db2.gz UWSMEUJOSGXMLY-UHFFFAOYSA-N 1 3 345.531 3.135 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001725622920 1426289094 /nfs/dbraw/zinc/28/90/94/1426289094.db2.gz IGDWRQOHCCAMBF-HKUYNNGSSA-N 1 3 349.544 3.093 10 0 EGAEHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001725790288 1426475743 /nfs/dbraw/zinc/47/57/43/1426475743.db2.gz SHEHSHMQWVTFNT-CTWPCTMYSA-N 1 3 331.504 3.057 10 0 EGAEHO CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001725829167 1426506362 /nfs/dbraw/zinc/50/63/62/1426506362.db2.gz IDTZJEFZUCRNBZ-LJQANCHMSA-N 1 3 335.536 3.189 10 0 EGAEHO CCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001725829167 1426506364 /nfs/dbraw/zinc/50/63/64/1426506364.db2.gz IDTZJEFZUCRNBZ-LJQANCHMSA-N 1 3 335.536 3.189 10 0 EGAEHO Cc1ccc(C)c(C[NH+]2CCC(N(C)C(=O)CN(C)C(C)C)CC2)c1 ZINC001731350142 1427288791 /nfs/dbraw/zinc/28/87/91/1427288791.db2.gz ADJROSCNFASQRZ-UHFFFAOYSA-N 1 3 345.531 3.066 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001731434787 1427415669 /nfs/dbraw/zinc/41/56/69/1427415669.db2.gz BHDUVIILAAMHTI-FNYRVFDFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731504869 1427488842 /nfs/dbraw/zinc/48/88/42/1427488842.db2.gz XYQLJKPMIBPQKO-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731504869 1427488846 /nfs/dbraw/zinc/48/88/46/1427488846.db2.gz XYQLJKPMIBPQKO-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCC1 ZINC001731543384 1427557069 /nfs/dbraw/zinc/55/70/69/1427557069.db2.gz WYPDWQXFCHIUEQ-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)N1CCCC1 ZINC001731543384 1427557074 /nfs/dbraw/zinc/55/70/74/1427557074.db2.gz WYPDWQXFCHIUEQ-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC001731641270 1427700755 /nfs/dbraw/zinc/70/07/55/1427700755.db2.gz UEFGOEIYOPKGNZ-DLBZAZTESA-N 1 3 341.499 3.335 10 0 EGAEHO CCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)c1cccc(F)c1 ZINC001731808785 1427985307 /nfs/dbraw/zinc/98/53/07/1427985307.db2.gz NLIKEKROXZHLGK-INIZCTEOSA-N 1 3 349.494 3.199 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603833 1429812664 /nfs/dbraw/zinc/81/26/64/1429812664.db2.gz UXOXJARDQXMGNV-JOGGYFKDSA-N 1 3 344.503 3.109 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603833 1429812670 /nfs/dbraw/zinc/81/26/70/1429812670.db2.gz UXOXJARDQXMGNV-JOGGYFKDSA-N 1 3 344.503 3.109 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677618 1429876134 /nfs/dbraw/zinc/87/61/34/1429876134.db2.gz RYOBAASKQVKMTE-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001733684911 1429900156 /nfs/dbraw/zinc/90/01/56/1429900156.db2.gz QMMPVHNEVNIWLT-ZWKOTPCHSA-N 1 3 345.531 3.341 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733851058 1437686924 /nfs/dbraw/zinc/68/69/24/1437686924.db2.gz DEEYHXLUNHAVTK-IHVSBYRNSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001734088702 1437873473 /nfs/dbraw/zinc/87/34/73/1437873473.db2.gz RLAKJRUITCWTTI-SFHVURJKSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308208 1438039904 /nfs/dbraw/zinc/03/99/04/1438039904.db2.gz HKQHAFMRIQLBGZ-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494739 1438131870 /nfs/dbraw/zinc/13/18/70/1438131870.db2.gz BXYPTLZICAXDFY-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001734625494 1438190959 /nfs/dbraw/zinc/19/09/59/1438190959.db2.gz ISOZDEMBUAPUHF-WAYWQWQTSA-N 1 3 347.547 3.356 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001734625494 1438190960 /nfs/dbraw/zinc/19/09/60/1438190960.db2.gz ISOZDEMBUAPUHF-WAYWQWQTSA-N 1 3 347.547 3.356 10 0 EGAEHO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000181491259 234204348 /nfs/dbraw/zinc/20/43/48/234204348.db2.gz RNXPZVAZMGXYJB-KRWDZBQOSA-N 1 3 327.472 3.305 10 0 EGAEHO c1nc(C2CC2)ncc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000328586911 258046562 /nfs/dbraw/zinc/04/65/62/258046562.db2.gz GXHRCQJBZGXSJE-UHFFFAOYSA-N 1 3 328.504 3.283 10 0 EGAEHO c1nc(C2CC2)ncc1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000328586911 258046563 /nfs/dbraw/zinc/04/65/63/258046563.db2.gz GXHRCQJBZGXSJE-UHFFFAOYSA-N 1 3 328.504 3.283 10 0 EGAEHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353438719 141295524 /nfs/dbraw/zinc/29/55/24/141295524.db2.gz VEQSYVGVGSCSJY-HMXCVIKNSA-N 1 3 338.499 3.452 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000353461595 141302007 /nfs/dbraw/zinc/30/20/07/141302007.db2.gz MLHSYYADBNYZKM-KZNAEPCWSA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000353461595 141302008 /nfs/dbraw/zinc/30/20/08/141302008.db2.gz MLHSYYADBNYZKM-KZNAEPCWSA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000353461595 141302009 /nfs/dbraw/zinc/30/20/09/141302009.db2.gz MLHSYYADBNYZKM-KZNAEPCWSA-N 1 3 332.488 3.446 10 0 EGAEHO C[NH+](C)CC[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C ZINC000116231720 152049722 /nfs/dbraw/zinc/04/97/22/152049722.db2.gz IZIHIFOKZFDJDW-IBGZPJMESA-N 1 3 345.531 3.379 10 0 EGAEHO COc1cc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)ccc1C ZINC000194341805 153332559 /nfs/dbraw/zinc/33/25/59/153332559.db2.gz RKVDZCICRBAXLJ-UHFFFAOYSA-N 1 3 345.531 3.044 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000336876257 154226148 /nfs/dbraw/zinc/22/61/48/154226148.db2.gz BXVOCSUFYJHWBI-FGTMMUONSA-N 1 3 326.488 3.327 10 0 EGAEHO O[C@@H](Cc1cccc(Cl)c1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000346832764 156157256 /nfs/dbraw/zinc/15/72/56/156157256.db2.gz VYUXWGKWYBJSKH-IBGZPJMESA-N 1 3 336.907 3.051 10 0 EGAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000346860171 156166543 /nfs/dbraw/zinc/16/65/43/156166543.db2.gz IXHPDLQTZRHOPN-KRWDZBQOSA-N 1 3 345.531 3.455 10 0 EGAEHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000125404973 162272807 /nfs/dbraw/zinc/27/28/07/162272807.db2.gz SQUYMKNNKJTOBY-CQSZACIVSA-N 1 3 347.894 3.303 10 0 EGAEHO c1nc(-c2ccccn2)sc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000343744713 164024031 /nfs/dbraw/zinc/02/40/31/164024031.db2.gz YMRSDZBIZRDLFA-UHFFFAOYSA-N 1 3 328.485 3.312 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344599332 164196995 /nfs/dbraw/zinc/19/69/95/164196995.db2.gz DVAPFINDMOUBJE-AEFFLSMTSA-N 1 3 331.504 3.106 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344599333 164197104 /nfs/dbraw/zinc/19/71/04/164197104.db2.gz DVAPFINDMOUBJE-FUHWJXTLSA-N 1 3 331.504 3.106 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000350177242 165016266 /nfs/dbraw/zinc/01/62/66/165016266.db2.gz QINBYSBRISVXLU-UHFFFAOYSA-N 1 3 327.476 3.026 10 0 EGAEHO C[C@@H]1C[C@@H](C[N@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317716 165030214 /nfs/dbraw/zinc/03/02/14/165030214.db2.gz MWQFTHAERNJUAZ-MJGOQNOKSA-N 1 3 331.504 3.435 10 0 EGAEHO C[C@@H]1C[C@@H](C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317716 165030219 /nfs/dbraw/zinc/03/02/19/165030219.db2.gz MWQFTHAERNJUAZ-MJGOQNOKSA-N 1 3 331.504 3.435 10 0 EGAEHO c1ccc(CN2CCC[C@H]([NH2+]C3CC(N4CCCCC4)C3)C2)cc1 ZINC000355610847 166260629 /nfs/dbraw/zinc/26/06/29/166260629.db2.gz RPINFDOJYJWRIA-MWXLCCTBSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCC[C@H](NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000355610847 166260630 /nfs/dbraw/zinc/26/06/30/166260630.db2.gz RPINFDOJYJWRIA-MWXLCCTBSA-N 1 3 327.516 3.258 10 0 EGAEHO CC[C@H](C)N[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566551 167194870 /nfs/dbraw/zinc/19/48/70/167194870.db2.gz WAXVDHWHOYAIDN-GVDBMIGSSA-N 1 3 335.492 3.090 10 0 EGAEHO CC[C@H](C)N[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000359566551 167194871 /nfs/dbraw/zinc/19/48/71/167194871.db2.gz WAXVDHWHOYAIDN-GVDBMIGSSA-N 1 3 335.492 3.090 10 0 EGAEHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000175197242 265101044 /nfs/dbraw/zinc/10/10/44/265101044.db2.gz GTBAZNADMALTOE-KRWDZBQOSA-N 1 3 329.488 3.485 10 0 EGAEHO CN(C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCC1 ZINC000278707945 275267303 /nfs/dbraw/zinc/26/73/03/275267303.db2.gz LJZFUGSILMDXAL-ACDBMABISA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000278743044 275270668 /nfs/dbraw/zinc/27/06/68/275270668.db2.gz JSQOTFXACSHLIX-KRWDZBQOSA-N 1 3 346.515 3.220 10 0 EGAEHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCO2 ZINC000132975840 281116257 /nfs/dbraw/zinc/11/62/57/281116257.db2.gz VUXKFADSWIIPBD-FXAWDEMLSA-N 1 3 344.499 3.299 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000128728054 307604646 /nfs/dbraw/zinc/60/46/46/307604646.db2.gz NNCSHXHGERHLCA-ROUUACIJSA-N 1 3 345.531 3.264 10 0 EGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCSCC1 ZINC000414304972 309071843 /nfs/dbraw/zinc/07/18/43/309071843.db2.gz MUUSUOQBZVLXGQ-QGZVFWFLSA-N 1 3 348.556 3.135 10 0 EGAEHO Cc1cncc([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000414314293 309072273 /nfs/dbraw/zinc/07/22/73/309072273.db2.gz ZPCACENUBAVLFD-GOSISDBHSA-N 1 3 339.483 3.068 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414555096 309088808 /nfs/dbraw/zinc/08/88/08/309088808.db2.gz LYNXEIUVTWXXFI-SJLPKXTDSA-N 1 3 340.552 3.043 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414555096 309088809 /nfs/dbraw/zinc/08/88/09/309088809.db2.gz LYNXEIUVTWXXFI-SJLPKXTDSA-N 1 3 340.552 3.043 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H](CO)[C@H]2CCCOC2)CC1 ZINC000414555099 309088854 /nfs/dbraw/zinc/08/88/54/309088854.db2.gz LYNXEIUVTWXXFI-WMZOPIPTSA-N 1 3 340.552 3.043 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H](CO)[C@H]2CCCOC2)CC1 ZINC000414555099 309088855 /nfs/dbraw/zinc/08/88/55/309088855.db2.gz LYNXEIUVTWXXFI-WMZOPIPTSA-N 1 3 340.552 3.043 10 0 EGAEHO Cc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000294784698 308256783 /nfs/dbraw/zinc/25/67/83/308256783.db2.gz NWRCJVRGZNQAHP-UHFFFAOYSA-N 1 3 330.497 3.303 10 0 EGAEHO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296364033 308419760 /nfs/dbraw/zinc/41/97/60/308419760.db2.gz IWNVPGSIVCVTTR-KRWDZBQOSA-N 1 3 327.472 3.224 10 0 EGAEHO C[C@@H]1CCC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000397554267 308904535 /nfs/dbraw/zinc/90/45/35/308904535.db2.gz JYXWIQBNSFVULD-GGPKGHCWSA-N 1 3 330.516 3.428 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000414862243 309106212 /nfs/dbraw/zinc/10/62/12/309106212.db2.gz VICXGDKINHQCSH-OAHLLOKOSA-N 1 3 333.476 3.054 10 0 EGAEHO Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc3)nc12 ZINC000415017033 309114569 /nfs/dbraw/zinc/11/45/69/309114569.db2.gz PDVFLCDKUDTMFI-CVEARBPZSA-N 1 3 338.455 3.047 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119523 309121514 /nfs/dbraw/zinc/12/15/14/309121514.db2.gz FPKJAJBNVCECCZ-CTNGQTDRSA-N 1 3 344.499 3.194 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415129547 309122524 /nfs/dbraw/zinc/12/25/24/309122524.db2.gz UXVBGAYGAHWCSV-RTBURBONSA-N 1 3 332.488 3.030 10 0 EGAEHO c1csc(-c2noc(CCCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420394420 309286038 /nfs/dbraw/zinc/28/60/38/309286038.db2.gz KMDKNLCBOXIWKU-CABCVRRESA-N 1 3 346.500 3.195 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422871925 309373094 /nfs/dbraw/zinc/37/30/94/309373094.db2.gz DXKLWOUAZVJTCN-SQNIBIBYSA-N 1 3 331.504 3.174 10 0 EGAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(OCCN(C)C)cc1 ZINC000422893888 309374556 /nfs/dbraw/zinc/37/45/56/309374556.db2.gz BEZWHGYCCNJAQZ-MJGOQNOKSA-N 1 3 333.520 3.027 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCCCC1 ZINC000422935432 309376908 /nfs/dbraw/zinc/37/69/08/309376908.db2.gz AKCPKDFKCIRWPL-AZUAARDMSA-N 1 3 330.472 3.181 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000449685861 310080814 /nfs/dbraw/zinc/08/08/14/310080814.db2.gz UNJIDZUBBNGOSK-LJQANCHMSA-N 1 3 345.531 3.125 10 0 EGAEHO Cc1cnc(CCNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000453399810 310275007 /nfs/dbraw/zinc/27/50/07/310275007.db2.gz LNZYJCYQRWRRQF-GOSISDBHSA-N 1 3 338.499 3.013 10 0 EGAEHO Cc1cnc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000453399811 310275081 /nfs/dbraw/zinc/27/50/81/310275081.db2.gz LNZYJCYQRWRRQF-SFHVURJKSA-N 1 3 338.499 3.013 10 0 EGAEHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)CC(F)(F)F ZINC000564846387 316216701 /nfs/dbraw/zinc/21/67/01/316216701.db2.gz MRRCPQVGMKOZOX-INIZCTEOSA-N 1 3 330.394 3.075 10 0 EGAEHO CC(C)N1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566482154 316484886 /nfs/dbraw/zinc/48/48/86/316484886.db2.gz MMFBYRKSFZVOCM-QXGSTGNESA-N 1 3 337.458 3.348 10 0 EGAEHO CC(C)C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000576984172 324719995 /nfs/dbraw/zinc/71/99/95/324719995.db2.gz NHGGFAXPUCRCGD-QGZVFWFLSA-N 1 3 349.544 3.168 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)CC1(C)C ZINC000623470279 460565683 /nfs/dbraw/zinc/56/56/83/460565683.db2.gz HGOUHPAQXCNIOF-LJQANCHMSA-N 1 3 346.515 3.345 10 0 EGAEHO C[C@H](N[C@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809179 460568736 /nfs/dbraw/zinc/56/87/36/460568736.db2.gz MHLZSOXWOHHQJW-YJBOKZPZSA-N 1 3 328.460 3.009 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1(C)C ZINC000623510700 460589387 /nfs/dbraw/zinc/58/93/87/460589387.db2.gz HJYGGVMBROYOCK-FHERZECASA-N 1 3 347.469 3.254 10 0 EGAEHO CN(C)C(=O)Sc1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000084076434 453967648 /nfs/dbraw/zinc/96/76/48/453967648.db2.gz WRKUIIFSCVHDLM-INIZCTEOSA-N 1 3 335.517 3.234 10 0 EGAEHO CN(C)C(=O)Sc1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000084076434 453967649 /nfs/dbraw/zinc/96/76/49/453967649.db2.gz WRKUIIFSCVHDLM-INIZCTEOSA-N 1 3 335.517 3.234 10 0 EGAEHO C[C@@H](CCc1ccccc1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000069777288 454143361 /nfs/dbraw/zinc/14/33/61/454143361.db2.gz FZLQPGIORUSOGN-FPOVZHCZSA-N 1 3 329.532 3.110 10 0 EGAEHO C[C@@H](CCc1ccccc1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000069777288 454143365 /nfs/dbraw/zinc/14/33/65/454143365.db2.gz FZLQPGIORUSOGN-FPOVZHCZSA-N 1 3 329.532 3.110 10 0 EGAEHO Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)CO2 ZINC000623607497 460636724 /nfs/dbraw/zinc/63/67/24/460636724.db2.gz HUNZNHLBHSLNRU-GOSISDBHSA-N 1 3 340.467 3.029 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079555440 454438110 /nfs/dbraw/zinc/43/81/10/454438110.db2.gz SKUMMXNLLISDOO-MISYRCLQSA-N 1 3 343.515 3.030 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079555440 454438115 /nfs/dbraw/zinc/43/81/15/454438115.db2.gz SKUMMXNLLISDOO-MISYRCLQSA-N 1 3 343.515 3.030 10 0 EGAEHO CC(C)CCN1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000048308673 454472142 /nfs/dbraw/zinc/47/21/42/454472142.db2.gz IHCDQQFVRCVTQF-HXUWFJFHSA-N 1 3 345.531 3.135 10 0 EGAEHO CC(C)CCN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000048308673 454472145 /nfs/dbraw/zinc/47/21/45/454472145.db2.gz IHCDQQFVRCVTQF-HXUWFJFHSA-N 1 3 345.531 3.135 10 0 EGAEHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)CC3 ZINC000123112608 454604406 /nfs/dbraw/zinc/60/44/06/454604406.db2.gz FBERTKIUFGLSGX-CVEARBPZSA-N 1 3 341.499 3.355 10 0 EGAEHO CCC[C@@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000162370776 454770586 /nfs/dbraw/zinc/77/05/86/454770586.db2.gz OVSKHBACKXAWAN-PMACEKPBSA-N 1 3 345.531 3.087 10 0 EGAEHO CCC[C@@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000162370776 454770592 /nfs/dbraw/zinc/77/05/92/454770592.db2.gz OVSKHBACKXAWAN-PMACEKPBSA-N 1 3 345.531 3.087 10 0 EGAEHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086269 454933576 /nfs/dbraw/zinc/93/35/76/454933576.db2.gz CGXWEKWSZFSNIW-ICSRJNTNSA-N 1 3 343.515 3.060 10 0 EGAEHO CN(C)C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086269 454933579 /nfs/dbraw/zinc/93/35/79/454933579.db2.gz CGXWEKWSZFSNIW-ICSRJNTNSA-N 1 3 343.515 3.060 10 0 EGAEHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086281 454933615 /nfs/dbraw/zinc/93/36/15/454933615.db2.gz CGXWEKWSZFSNIW-AZUAARDMSA-N 1 3 343.515 3.060 10 0 EGAEHO CN(C)C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086281 454933618 /nfs/dbraw/zinc/93/36/18/454933618.db2.gz CGXWEKWSZFSNIW-AZUAARDMSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000247132893 455563997 /nfs/dbraw/zinc/56/39/97/455563997.db2.gz ATPNGKRSWNQNQJ-PIKADFDJSA-N 1 3 332.488 3.091 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1F)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247182569 455569962 /nfs/dbraw/zinc/56/99/62/455569962.db2.gz USYIKPPQSBMNSB-LIRRHRJNSA-N 1 3 340.458 3.441 10 0 EGAEHO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000249752737 455773129 /nfs/dbraw/zinc/77/31/29/455773129.db2.gz RZWZGUJELPGGSL-KZNAEPCWSA-N 1 3 343.515 3.160 10 0 EGAEHO CC(C)n1ncc2cc(CN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cnc21 ZINC000261660768 455923453 /nfs/dbraw/zinc/92/34/53/455923453.db2.gz IEPIYKUKTXYKEV-UXHICEINSA-N 1 3 349.482 3.187 10 0 EGAEHO [NH3+]C[C@@H]1CN(CCOc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261713501 455933800 /nfs/dbraw/zinc/93/38/00/455933800.db2.gz KOVCYDAIWYKGST-APWZRJJASA-N 1 3 330.859 3.393 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272436167 455951218 /nfs/dbraw/zinc/95/12/18/455951218.db2.gz RPMDJPYQMJHTCO-WKCHPHFGSA-N 1 3 338.499 3.367 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)F ZINC000296642511 455998160 /nfs/dbraw/zinc/99/81/60/455998160.db2.gz YFCMSGINXARZOC-JCECYMMASA-N 1 3 338.442 3.176 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(F)F ZINC000296642511 455998166 /nfs/dbraw/zinc/99/81/66/455998166.db2.gz YFCMSGINXARZOC-JCECYMMASA-N 1 3 338.442 3.176 10 0 EGAEHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000263299154 456121447 /nfs/dbraw/zinc/12/14/47/456121447.db2.gz WVMZARQIBQIHHK-TZIWHRDSSA-N 1 3 343.515 3.196 10 0 EGAEHO C[C@H](NCc1ccc2cncn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297486360 456232589 /nfs/dbraw/zinc/23/25/89/456232589.db2.gz KCKHPDCHRYILKD-PXNSSMCTSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H](NCc1ccc2cncn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297486360 456232594 /nfs/dbraw/zinc/23/25/94/456232594.db2.gz KCKHPDCHRYILKD-PXNSSMCTSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc2cncn2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297486360 456232597 /nfs/dbraw/zinc/23/25/97/456232597.db2.gz KCKHPDCHRYILKD-PXNSSMCTSA-N 1 3 334.467 3.335 10 0 EGAEHO CN1CCC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000237124917 456236307 /nfs/dbraw/zinc/23/63/07/456236307.db2.gz SRWUTCIZROESHH-SJLPKXTDSA-N 1 3 343.496 3.020 10 0 EGAEHO c1ccc(CN2C[C@H](C[NH2+][C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464599 456475885 /nfs/dbraw/zinc/47/58/85/456475885.db2.gz GQWCEZXHNRFCLZ-OALUTQOASA-N 1 3 346.540 3.010 10 0 EGAEHO c1ccc(CN2C[C@@H](C[NH2+][C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464598 456476455 /nfs/dbraw/zinc/47/64/55/456476455.db2.gz GQWCEZXHNRFCLZ-MOPGFXCFSA-N 1 3 346.540 3.010 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353633256 456817827 /nfs/dbraw/zinc/81/78/27/456817827.db2.gz VXNKITAMZGOTBM-WOJBJXKFSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353633256 456817834 /nfs/dbraw/zinc/81/78/34/456817834.db2.gz VXNKITAMZGOTBM-WOJBJXKFSA-N 1 3 343.515 3.032 10 0 EGAEHO CSC1(CN[C@@H](C)c2cnn(C3CCCC3)c2)CC[NH+](C)CC1 ZINC000353664341 456841687 /nfs/dbraw/zinc/84/16/87/456841687.db2.gz WQCGGBKFNLSOGS-HNNXBMFYSA-N 1 3 336.549 3.476 10 0 EGAEHO CSC1(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CCN(C)CC1 ZINC000353664341 456841693 /nfs/dbraw/zinc/84/16/93/456841693.db2.gz WQCGGBKFNLSOGS-HNNXBMFYSA-N 1 3 336.549 3.476 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCSCC2)CC1 ZINC000349038553 456894480 /nfs/dbraw/zinc/89/44/80/456894480.db2.gz VNGWWDPJOQODBS-UHFFFAOYSA-N 1 3 333.545 3.158 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCCSCC2)CC1 ZINC000349038553 456894482 /nfs/dbraw/zinc/89/44/82/456894482.db2.gz VNGWWDPJOQODBS-UHFFFAOYSA-N 1 3 333.545 3.158 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C ZINC000354425577 457214830 /nfs/dbraw/zinc/21/48/30/457214830.db2.gz JTCYXLKBCGXYQR-YLJYHZDGSA-N 1 3 343.515 3.227 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C ZINC000354425577 457214832 /nfs/dbraw/zinc/21/48/32/457214832.db2.gz JTCYXLKBCGXYQR-YLJYHZDGSA-N 1 3 343.515 3.227 10 0 EGAEHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352082148 457337369 /nfs/dbraw/zinc/33/73/69/457337369.db2.gz HXYVITCLRRXEFL-ZTFGCOKTSA-N 1 3 339.886 3.298 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000373869057 457377457 /nfs/dbraw/zinc/37/74/57/457377457.db2.gz TYYMNEAUXJCOSG-ZAWLATJESA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000373869057 457377467 /nfs/dbraw/zinc/37/74/67/457377467.db2.gz TYYMNEAUXJCOSG-ZAWLATJESA-N 1 3 336.520 3.351 10 0 EGAEHO C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000397554270 457487657 /nfs/dbraw/zinc/48/76/57/457487657.db2.gz JYXWIQBNSFVULD-WSTZPKSXSA-N 1 3 330.516 3.428 10 0 EGAEHO OC1(C[NH2+][C@H]2CCCc3occc32)CCN(Cc2ccccc2)CC1 ZINC000397639666 457489861 /nfs/dbraw/zinc/48/98/61/457489861.db2.gz RNGHCLGETVQLDB-IBGZPJMESA-N 1 3 340.467 3.274 10 0 EGAEHO CC[NH+]1CCC(NC(=O)CNC2(c3ccccc3)CCCCC2)CC1 ZINC000411390478 457871398 /nfs/dbraw/zinc/87/13/98/457871398.db2.gz NHOCQDPJXWQHLQ-UHFFFAOYSA-N 1 3 343.515 3.036 10 0 EGAEHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000358320441 457931815 /nfs/dbraw/zinc/93/18/15/457931815.db2.gz PLTIOBDQHFBZMG-AABGKKOBSA-N 1 3 344.499 3.176 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000436303911 458285046 /nfs/dbraw/zinc/28/50/46/458285046.db2.gz CQGBENOXPRMYRO-OGWHTMIXSA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000436303911 458285053 /nfs/dbraw/zinc/28/50/53/458285053.db2.gz CQGBENOXPRMYRO-OGWHTMIXSA-N 1 3 336.520 3.351 10 0 EGAEHO C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423716728 458475276 /nfs/dbraw/zinc/47/52/76/458475276.db2.gz YAVXJNQKVILFOV-JXFKEZNVSA-N 1 3 337.467 3.053 10 0 EGAEHO CC[C@H]1CCC[C@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714567 458512752 /nfs/dbraw/zinc/51/27/52/458512752.db2.gz ICHPNJHQCZPVFR-JKIHBJOUSA-N 1 3 333.564 3.446 10 0 EGAEHO CC[C@H]1CCC[C@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000377714567 458512756 /nfs/dbraw/zinc/51/27/56/458512756.db2.gz ICHPNJHQCZPVFR-JKIHBJOUSA-N 1 3 333.564 3.446 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)CCCc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000471235014 458687186 /nfs/dbraw/zinc/68/71/86/458687186.db2.gz KXHATTPSJKTVMA-LSDHHAIUSA-N 1 3 348.516 3.393 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)CCCc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000471235014 458687195 /nfs/dbraw/zinc/68/71/95/458687195.db2.gz KXHATTPSJKTVMA-LSDHHAIUSA-N 1 3 348.516 3.393 10 0 EGAEHO C[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208611 458716648 /nfs/dbraw/zinc/71/66/48/458716648.db2.gz FXXQBWRVDNIIPI-YZLZLFLDSA-N 1 3 330.472 3.117 10 0 EGAEHO CC(C)COc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249734 458730567 /nfs/dbraw/zinc/73/05/67/458730567.db2.gz YIEKEGWLJLFUJN-NRFANRHFSA-N 1 3 346.515 3.312 10 0 EGAEHO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475024678 458912625 /nfs/dbraw/zinc/91/26/25/458912625.db2.gz TYBFHQBBRYQKGT-RTBURBONSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475024678 458912629 /nfs/dbraw/zinc/91/26/29/458912629.db2.gz TYBFHQBBRYQKGT-RTBURBONSA-N 1 3 331.504 3.060 10 0 EGAEHO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000531946333 459004715 /nfs/dbraw/zinc/00/47/15/459004715.db2.gz YVPZJIXPVWMNNQ-HTAPYJJXSA-N 1 3 337.511 3.455 10 0 EGAEHO CCC[C@H](C)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412407 459154971 /nfs/dbraw/zinc/15/49/71/459154971.db2.gz YZMJIIREXJMILO-FPOVZHCZSA-N 1 3 329.532 3.315 10 0 EGAEHO CCC[C@H](C)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000558412407 459154972 /nfs/dbraw/zinc/15/49/72/459154972.db2.gz YZMJIIREXJMILO-FPOVZHCZSA-N 1 3 329.532 3.315 10 0 EGAEHO CCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851589 459178216 /nfs/dbraw/zinc/17/82/16/459178216.db2.gz QQQHLELCKINORJ-FQEVSTJZSA-N 1 3 327.516 3.258 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2ccccc2n1 ZINC000560527070 459365718 /nfs/dbraw/zinc/36/57/18/459365718.db2.gz LEVBYQSAYHAVNE-NSHGMRRFSA-N 1 3 338.499 3.263 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2ccccc2n1 ZINC000560527070 459365725 /nfs/dbraw/zinc/36/57/25/459365725.db2.gz LEVBYQSAYHAVNE-NSHGMRRFSA-N 1 3 338.499 3.263 10 0 EGAEHO COC[C@@H]([NH2+]Cc1ccccc1CN1CCCCC1)C1CCOCC1 ZINC000526107112 459548747 /nfs/dbraw/zinc/54/87/47/459548747.db2.gz YNTIVJOYAQTBHV-OAQYLSRUSA-N 1 3 346.515 3.204 10 0 EGAEHO COC[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000526107112 459548754 /nfs/dbraw/zinc/54/87/54/459548754.db2.gz YNTIVJOYAQTBHV-OAQYLSRUSA-N 1 3 346.515 3.204 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153740 459623322 /nfs/dbraw/zinc/62/33/22/459623322.db2.gz SSMIYWRHJUMVTO-MMKMLUHNSA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153740 459623332 /nfs/dbraw/zinc/62/33/32/459623332.db2.gz SSMIYWRHJUMVTO-MMKMLUHNSA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153740 459623341 /nfs/dbraw/zinc/62/33/41/459623341.db2.gz SSMIYWRHJUMVTO-MMKMLUHNSA-N 1 3 325.500 3.008 10 0 EGAEHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)c2ccccc21 ZINC000562959121 459681169 /nfs/dbraw/zinc/68/11/69/459681169.db2.gz VCKZDXNMTRYOFE-JCURWCKSSA-N 1 3 328.847 3.048 10 0 EGAEHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350940 459717121 /nfs/dbraw/zinc/71/71/21/459717121.db2.gz JFGYGRVPOGSWIF-HUUCEWRRSA-N 1 3 327.476 3.276 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917839 459772836 /nfs/dbraw/zinc/77/28/36/459772836.db2.gz UWKQNLVFFDPILA-IAGOWNOFSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917839 459772840 /nfs/dbraw/zinc/77/28/40/459772840.db2.gz UWKQNLVFFDPILA-IAGOWNOFSA-N 1 3 326.488 3.470 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000597199457 459873752 /nfs/dbraw/zinc/87/37/52/459873752.db2.gz CZFGIIGURUCYBD-IPMKNSEASA-N 1 3 342.483 3.110 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000597199457 459873757 /nfs/dbraw/zinc/87/37/57/459873757.db2.gz CZFGIIGURUCYBD-IPMKNSEASA-N 1 3 342.483 3.110 10 0 EGAEHO c1ccc2c(c1)O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CS2 ZINC000574811681 459875768 /nfs/dbraw/zinc/87/57/68/459875768.db2.gz NYLZCOQUUIPJNB-WCXIOVBPSA-N 1 3 332.513 3.440 10 0 EGAEHO c1cc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)cc2c1OCO2 ZINC000576761265 460207609 /nfs/dbraw/zinc/20/76/09/460207609.db2.gz GGWAGVIOGJWYOH-LJQANCHMSA-N 1 3 336.435 3.398 10 0 EGAEHO COc1ccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339172 460495807 /nfs/dbraw/zinc/49/58/07/460495807.db2.gz NIRXNHKQUYCXBI-AZUAARDMSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339172 460495813 /nfs/dbraw/zinc/49/58/13/460495813.db2.gz NIRXNHKQUYCXBI-AZUAARDMSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339172 460495817 /nfs/dbraw/zinc/49/58/17/460495817.db2.gz NIRXNHKQUYCXBI-AZUAARDMSA-N 1 3 345.531 3.295 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623404592 460530845 /nfs/dbraw/zinc/53/08/45/460530845.db2.gz CETWDWINXQWITR-INIZCTEOSA-N 1 3 331.435 3.486 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623404592 460530853 /nfs/dbraw/zinc/53/08/53/460530853.db2.gz CETWDWINXQWITR-INIZCTEOSA-N 1 3 331.435 3.486 10 0 EGAEHO CCCCOc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1OC ZINC000629521355 460794355 /nfs/dbraw/zinc/79/43/55/460794355.db2.gz NDQUVXYZEQPXJC-OAHLLOKOSA-N 1 3 336.476 3.033 10 0 EGAEHO C[NH2+]CCOCCN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629528685 460797481 /nfs/dbraw/zinc/79/74/81/460797481.db2.gz GSGCTVYHCIEXQC-HNNXBMFYSA-N 1 3 349.475 3.152 10 0 EGAEHO Fc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1Br ZINC000629531644 460797876 /nfs/dbraw/zinc/79/78/76/460797876.db2.gz SPYBTMNLGWIQLS-HOSYDEDBSA-N 1 3 345.231 3.205 10 0 EGAEHO Cc1cc(-c2ccccc2CN2CCN(C)CC2)cc2c1C[NH2+]CC2 ZINC000629735830 460897325 /nfs/dbraw/zinc/89/73/25/460897325.db2.gz HGMSLDGSVNQZQE-UHFFFAOYSA-N 1 3 335.495 3.055 10 0 EGAEHO CN(CCN1CC[NH+](C[C@]2(C)CCCS2)CC1)Cc1ccccc1 ZINC000628163666 461027491 /nfs/dbraw/zinc/02/74/91/461027491.db2.gz NATWEEBMDIXGNS-FQEVSTJZSA-N 1 3 347.572 3.022 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC)C2)cc1 ZINC000617929367 461028628 /nfs/dbraw/zinc/02/86/28/461028628.db2.gz HRWIVVQGKSFAKD-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC)C2)cc1 ZINC000617929367 461028634 /nfs/dbraw/zinc/02/86/34/461028634.db2.gz HRWIVVQGKSFAKD-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO c1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c2c(c1)C[NH2+]CC2 ZINC000662255807 461143347 /nfs/dbraw/zinc/14/33/47/461143347.db2.gz DQEVOZZGTAWOKA-LJQANCHMSA-N 1 3 336.435 3.398 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)CC1 ZINC000649894508 461428160 /nfs/dbraw/zinc/42/81/60/461428160.db2.gz NGMODGBYHMAWPQ-SFHVURJKSA-N 1 3 347.522 3.203 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)CC1 ZINC000649894508 461428164 /nfs/dbraw/zinc/42/81/64/461428164.db2.gz NGMODGBYHMAWPQ-SFHVURJKSA-N 1 3 347.522 3.203 10 0 EGAEHO CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000634125861 461429874 /nfs/dbraw/zinc/42/98/74/461429874.db2.gz ZLRWBPJVPLOJIZ-SFHVURJKSA-N 1 3 335.536 3.116 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660006473 461541866 /nfs/dbraw/zinc/54/18/66/461541866.db2.gz OIJSCXVYPYVNBN-NVXWUHKLSA-N 1 3 330.463 3.387 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660006473 461541873 /nfs/dbraw/zinc/54/18/73/461541873.db2.gz OIJSCXVYPYVNBN-NVXWUHKLSA-N 1 3 330.463 3.387 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2ccnn2CC2CCC2)[C@H](c2ccccc2)C1 ZINC000631166937 461604471 /nfs/dbraw/zinc/60/44/71/461604471.db2.gz OBXLATQYCFUTRG-CTNGQTDRSA-N 1 3 338.499 3.118 10 0 EGAEHO C[N@H+](CCO[C@@H]1CC1(F)F)CCC1CCN(c2ccncc2)CC1 ZINC000660166244 461616703 /nfs/dbraw/zinc/61/67/03/461616703.db2.gz MQNTUDBLMMZBGM-QGZVFWFLSA-N 1 3 339.430 3.044 10 0 EGAEHO C[N@@H+](CCO[C@@H]1CC1(F)F)CCC1CCN(c2ccncc2)CC1 ZINC000660166244 461616712 /nfs/dbraw/zinc/61/67/12/461616712.db2.gz MQNTUDBLMMZBGM-QGZVFWFLSA-N 1 3 339.430 3.044 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN([C@H]3CCc4ccccc43)CC2)CC1 ZINC000643255211 461651414 /nfs/dbraw/zinc/65/14/14/461651414.db2.gz ARNBNRDSSRTZDM-NRFANRHFSA-N 1 3 327.516 3.166 10 0 EGAEHO CCN1CCC([N@H+]2CCCN([C@H]3CCc4ccccc43)CC2)CC1 ZINC000643255211 461651420 /nfs/dbraw/zinc/65/14/20/461651420.db2.gz ARNBNRDSSRTZDM-NRFANRHFSA-N 1 3 327.516 3.166 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CCC[NH2+]CC1 ZINC000666857938 461838474 /nfs/dbraw/zinc/83/84/74/461838474.db2.gz QOGTZIXGLKKBLX-BXUZGUMPSA-N 1 3 329.257 3.251 10 0 EGAEHO COc1cc2c(cc1CN1CCC[C@H](C3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000656785200 461895519 /nfs/dbraw/zinc/89/55/19/461895519.db2.gz KOUCCGCMMXKQFM-RDJZCZTQSA-N 1 3 344.499 3.230 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc(C3CCC3)s2)C1 ZINC000650724078 461916723 /nfs/dbraw/zinc/91/67/23/461916723.db2.gz YBUYNMXRXPUXHK-HYVNUMGLSA-N 1 3 335.517 3.271 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN(Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995377 461928461 /nfs/dbraw/zinc/92/84/61/461928461.db2.gz SGGGMZVPIGJSEA-FQEVSTJZSA-N 1 3 339.483 3.353 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995377 461928464 /nfs/dbraw/zinc/92/84/64/461928464.db2.gz SGGGMZVPIGJSEA-FQEVSTJZSA-N 1 3 339.483 3.353 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995377 461928469 /nfs/dbraw/zinc/92/84/69/461928469.db2.gz SGGGMZVPIGJSEA-FQEVSTJZSA-N 1 3 339.483 3.353 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000650757213 461937581 /nfs/dbraw/zinc/93/75/81/461937581.db2.gz RNQZIMSFOAMAGW-OAQYLSRUSA-N 1 3 349.482 3.227 10 0 EGAEHO C[NH+]1CCC2(CC1)CN(C[C@@H]1CC[C@@H](c3ccccc3)C1)CCO2 ZINC000660902220 462014049 /nfs/dbraw/zinc/01/40/49/462014049.db2.gz DJYGKCCWRYPIJO-UYAOXDASSA-N 1 3 328.500 3.367 10 0 EGAEHO Cc1nc2ccccc2c(N2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000664659422 462143543 /nfs/dbraw/zinc/14/35/43/462143543.db2.gz XISCZMGZTYELSN-QGZVFWFLSA-N 1 3 327.472 3.399 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c2sccc21 ZINC000651228250 462145237 /nfs/dbraw/zinc/14/52/37/462145237.db2.gz DOVRMVFTMDJQIR-RVKKMQEKSA-N 1 3 333.545 3.445 10 0 EGAEHO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000651699111 462307631 /nfs/dbraw/zinc/30/76/31/462307631.db2.gz HMTJNUWAKKOUJR-AZUAARDMSA-N 1 3 331.504 3.036 10 0 EGAEHO CO[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000658071957 462368789 /nfs/dbraw/zinc/36/87/89/462368789.db2.gz LBMKQRKXUSGCRU-SJLPKXTDSA-N 1 3 340.552 3.307 10 0 EGAEHO Cc1cc(Br)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000665267272 462377366 /nfs/dbraw/zinc/37/73/66/462377366.db2.gz TUTDDFCQXHEXGX-QJPTWQEYSA-N 1 3 329.307 3.297 10 0 EGAEHO COc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658146512 462407255 /nfs/dbraw/zinc/40/72/55/462407255.db2.gz VLRWECKIELZEKP-OXQOHEQNSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658146512 462407263 /nfs/dbraw/zinc/40/72/63/462407263.db2.gz VLRWECKIELZEKP-OXQOHEQNSA-N 1 3 340.467 3.113 10 0 EGAEHO OC1CC[NH+](CCCN[C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652142745 462448782 /nfs/dbraw/zinc/44/87/82/462448782.db2.gz AMMLVWABQWOBOL-HXUWFJFHSA-N 1 3 331.504 3.139 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318302 462475182 /nfs/dbraw/zinc/47/51/82/462475182.db2.gz OVACSVFHFWVRMG-PKOBYXMFSA-N 1 3 338.499 3.373 10 0 EGAEHO O[C@H]1CCCN(CCC[NH+]2CCCCC2)[C@H]1CCc1ccccc1 ZINC000646073782 462510314 /nfs/dbraw/zinc/51/03/14/462510314.db2.gz IZENLCBFFFUVAW-SFTDATJTSA-N 1 3 330.516 3.321 10 0 EGAEHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CC2CCC2)CC1 ZINC000662155973 462532234 /nfs/dbraw/zinc/53/22/34/462532234.db2.gz JECLQCPLQRAZQK-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@H]([NH2+]CCc1ccccc1O)c1cccc(OCCN(C)C)c1 ZINC000154943295 533875706 /nfs/dbraw/zinc/87/57/06/533875706.db2.gz FUGLOAMCKPJHPO-INIZCTEOSA-N 1 3 328.456 3.226 10 0 EGAEHO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000678079678 549392214 /nfs/dbraw/zinc/39/22/14/549392214.db2.gz VMNSKGWBCIGYET-PKOBYXMFSA-N 1 3 327.516 3.386 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)cc1 ZINC000682088883 550072776 /nfs/dbraw/zinc/07/27/76/550072776.db2.gz YMIUAWCHQDRLPH-FQEVSTJZSA-N 1 3 334.504 3.048 10 0 EGAEHO Cc1ccccc1[C@H](O)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743872827 576818109 /nfs/dbraw/zinc/81/81/09/576818109.db2.gz ATQYZSXOFSMYAQ-IFMALSPDSA-N 1 3 338.495 3.482 10 0 EGAEHO Cc1ccccc1[C@H](O)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743872827 576818110 /nfs/dbraw/zinc/81/81/10/576818110.db2.gz ATQYZSXOFSMYAQ-IFMALSPDSA-N 1 3 338.495 3.482 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc(O)ccc1F ZINC000872084279 1296723748 /nfs/dbraw/zinc/72/37/48/1296723748.db2.gz HJCTZIKCWTUSOK-CQSZACIVSA-N 1 3 336.451 3.073 10 0 EGAEHO CN1CCC[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638650 1297098640 /nfs/dbraw/zinc/09/86/40/1297098640.db2.gz GGEIWYWIWPGVCX-MSOLQXFVSA-N 1 3 347.503 3.326 10 0 EGAEHO [NH3+][C@H]1C[C@H](NCC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523635 1325190170 /nfs/dbraw/zinc/19/01/70/1325190170.db2.gz URPUDANDVAHSNJ-GJZGRUSLSA-N 1 3 335.289 3.340 10 0 EGAEHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cnc1Br ZINC000929783385 1328699999 /nfs/dbraw/zinc/69/99/99/1328699999.db2.gz QFXWCARXKWSLRF-OCCSQVGLSA-N 1 3 326.282 3.067 10 0 EGAEHO Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cnc1Br ZINC000929783385 1328700001 /nfs/dbraw/zinc/70/00/01/1328700001.db2.gz QFXWCARXKWSLRF-OCCSQVGLSA-N 1 3 326.282 3.067 10 0 EGAEHO CCN1CCN(c2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858385535 1328750172 /nfs/dbraw/zinc/75/01/72/1328750172.db2.gz BXGTUZYSSQRLCF-GOSISDBHSA-N 1 3 330.520 3.113 10 0 EGAEHO CCN1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858385535 1328750176 /nfs/dbraw/zinc/75/01/76/1328750176.db2.gz BXGTUZYSSQRLCF-GOSISDBHSA-N 1 3 330.520 3.113 10 0 EGAEHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc2ccccc2n(C)c1=O ZINC000859213666 1328948117 /nfs/dbraw/zinc/94/81/17/1328948117.db2.gz YSCHDLLYYYEJAU-UHFFFAOYSA-N 1 3 349.478 3.232 10 0 EGAEHO Cc1cnc(Cl)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000921759780 1322393799 /nfs/dbraw/zinc/39/37/99/1322393799.db2.gz NGKPPHVASXUSKV-GASCZTMLSA-N 1 3 325.884 3.022 10 0 EGAEHO c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n(C2CCC2)n1 ZINC000922244661 1322486424 /nfs/dbraw/zinc/48/64/24/1322486424.db2.gz XMFAFHDQDMDSSC-UHFFFAOYSA-N 1 3 339.487 3.005 10 0 EGAEHO CCC[N@H+](CCCNC1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000923310276 1322730597 /nfs/dbraw/zinc/73/05/97/1322730597.db2.gz CYKRYUXXGWEOAG-UHFFFAOYSA-N 1 3 343.515 3.145 10 0 EGAEHO CCC[N@@H+](CCCNC1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000923310276 1322730602 /nfs/dbraw/zinc/73/06/02/1322730602.db2.gz CYKRYUXXGWEOAG-UHFFFAOYSA-N 1 3 343.515 3.145 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2nccc3Cl)C[C@@H](C)O1 ZINC000925438458 1325150019 /nfs/dbraw/zinc/15/00/19/1325150019.db2.gz AXVBKEQQZVZBIR-CPUCHLNUSA-N 1 3 337.895 3.201 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccnn1C1CCC1 ZINC000925438749 1325150660 /nfs/dbraw/zinc/15/06/60/1325150660.db2.gz DOYSGNNFJITENG-ZACQAIPSSA-N 1 3 334.508 3.148 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(F)cc1 ZINC000925480528 1325168403 /nfs/dbraw/zinc/16/84/03/1325168403.db2.gz FVNGIAUVQNKQSA-XUVXKRRUSA-N 1 3 333.495 3.186 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)nc2c1 ZINC000925480404 1325169068 /nfs/dbraw/zinc/16/90/68/1325169068.db2.gz KAQNKKBJYVKCOX-IAGOWNOFSA-N 1 3 326.488 3.253 10 0 EGAEHO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)c1ccccc1 ZINC000925551995 1325204723 /nfs/dbraw/zinc/20/47/23/1325204723.db2.gz DSFPYAGRMMSCQV-NASSWSRMSA-N 1 3 330.516 3.299 10 0 EGAEHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1Cl ZINC000925619064 1325233056 /nfs/dbraw/zinc/23/30/56/1325233056.db2.gz KUTCKSYXAWNYLG-LGSVPQMISA-N 1 3 328.859 3.397 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)s1 ZINC000925777533 1325297961 /nfs/dbraw/zinc/29/79/61/1325297961.db2.gz FGFBUMZIZJECPH-DTWKUNHWSA-N 1 3 339.249 3.406 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(C)(C)CN2CCCC2)n(C)n1 ZINC000926274949 1325500144 /nfs/dbraw/zinc/50/01/44/1325500144.db2.gz MEZPVGYLDDNUNW-HKUYNNGSSA-N 1 3 332.536 3.151 10 0 EGAEHO COC(=O)c1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)n(C)c1C ZINC000926856309 1327742728 /nfs/dbraw/zinc/74/27/28/1327742728.db2.gz RKCVCBUKIPSOOF-CQSZACIVSA-N 1 3 343.471 3.033 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865415896 1329694169 /nfs/dbraw/zinc/69/41/69/1329694169.db2.gz QJRIVLWEZFPTDT-HUUCEWRRSA-N 1 3 331.460 3.381 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C[C@@H](C)O1 ZINC000865470429 1329701998 /nfs/dbraw/zinc/70/19/98/1329701998.db2.gz BBXIXEKBMCSRDP-HZPDHXFCSA-N 1 3 345.462 3.353 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778127 1388045211 /nfs/dbraw/zinc/04/52/11/1388045211.db2.gz CBPAHXRLVGFACJ-MKXGPGLRSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778127 1388045214 /nfs/dbraw/zinc/04/52/14/1388045214.db2.gz CBPAHXRLVGFACJ-MKXGPGLRSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@H](CCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001283186349 1378755830 /nfs/dbraw/zinc/75/58/30/1378755830.db2.gz OAOWAVXQDXCQGE-HZPDHXFCSA-N 1 3 349.494 3.246 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001283343195 1378826607 /nfs/dbraw/zinc/82/66/07/1378826607.db2.gz DPKAPVUDCFQFPX-GOSISDBHSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001283343195 1378826610 /nfs/dbraw/zinc/82/66/10/1378826610.db2.gz DPKAPVUDCFQFPX-GOSISDBHSA-N 1 3 345.531 3.319 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)C(C)(C)N1CCCCC1)c1ccccc1 ZINC001283434605 1378926514 /nfs/dbraw/zinc/92/65/14/1378926514.db2.gz RFKYUYZXLRKHFU-IBGZPJMESA-N 1 3 345.531 3.498 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001283679531 1379108784 /nfs/dbraw/zinc/10/87/84/1379108784.db2.gz WUYFSQWFIMBWTR-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001151359501 1379704860 /nfs/dbraw/zinc/70/48/60/1379704860.db2.gz NZQOLTXSVJFWEO-UXHICEINSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001151359501 1379704862 /nfs/dbraw/zinc/70/48/62/1379704862.db2.gz NZQOLTXSVJFWEO-UXHICEINSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001151359500 1379704941 /nfs/dbraw/zinc/70/49/41/1379704941.db2.gz NZQOLTXSVJFWEO-PMACEKPBSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001151359500 1379704943 /nfs/dbraw/zinc/70/49/43/1379704943.db2.gz NZQOLTXSVJFWEO-PMACEKPBSA-N 1 3 345.531 3.134 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668675 1384513178 /nfs/dbraw/zinc/51/31/78/1384513178.db2.gz JUPLDZCKDMHBGS-ROUUACIJSA-N 1 3 337.552 3.076 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001316725243 1384545197 /nfs/dbraw/zinc/54/51/97/1384545197.db2.gz YDVKEBXZTXYSID-AYOQOUSVSA-N 1 3 346.519 3.056 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001316725243 1384545198 /nfs/dbraw/zinc/54/51/98/1384545198.db2.gz YDVKEBXZTXYSID-AYOQOUSVSA-N 1 3 346.519 3.056 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C)N(C)C ZINC001316797523 1384588066 /nfs/dbraw/zinc/58/80/66/1384588066.db2.gz NBYDHSODKFZBMP-NEWSRXKRSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H]1C)N(C)C ZINC001316797523 1384588068 /nfs/dbraw/zinc/58/80/68/1384588068.db2.gz NBYDHSODKFZBMP-NEWSRXKRSA-N 1 3 337.552 3.122 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001316997931 1384755301 /nfs/dbraw/zinc/75/53/01/1384755301.db2.gz HVXSQLUXHSESLW-NUQYTELCSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001317046146 1384820990 /nfs/dbraw/zinc/82/09/90/1384820990.db2.gz XMAPQDJFSZGCRB-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317046146 1384820994 /nfs/dbraw/zinc/82/09/94/1384820994.db2.gz XMAPQDJFSZGCRB-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)c1 ZINC001317310380 1385074999 /nfs/dbraw/zinc/07/49/99/1385074999.db2.gz LWSMDJIOFNHLRM-IBGZPJMESA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317350189 1385099818 /nfs/dbraw/zinc/09/98/18/1385099818.db2.gz KCJUAMBXKHDUPT-MSOLQXFVSA-N 1 3 335.536 3.234 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001317380794 1385107972 /nfs/dbraw/zinc/10/79/72/1385107972.db2.gz HMYYZRFZPBGBQN-ACBHZAAOSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC(C)CC2)C1 ZINC001317380794 1385107978 /nfs/dbraw/zinc/10/79/78/1385107978.db2.gz HMYYZRFZPBGBQN-ACBHZAAOSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001317435086 1385138480 /nfs/dbraw/zinc/13/84/80/1385138480.db2.gz PIENXHVETIUZBF-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001317435086 1385138484 /nfs/dbraw/zinc/13/84/84/1385138484.db2.gz PIENXHVETIUZBF-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001317504710 1385210577 /nfs/dbraw/zinc/21/05/77/1385210577.db2.gz IGQCSNNJFUNALG-MGBKSAOESA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001317504710 1385210579 /nfs/dbraw/zinc/21/05/79/1385210579.db2.gz IGQCSNNJFUNALG-MGBKSAOESA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505328 1385211364 /nfs/dbraw/zinc/21/13/64/1385211364.db2.gz KSYSQYFACPXGMH-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505328 1385211367 /nfs/dbraw/zinc/21/13/67/1385211367.db2.gz KSYSQYFACPXGMH-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1ccc2ccccc2c1C[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001317664094 1385375026 /nfs/dbraw/zinc/37/50/26/1385375026.db2.gz JDRXMOHDCYDITQ-UHFFFAOYSA-N 1 3 341.499 3.036 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317811992 1385511930 /nfs/dbraw/zinc/51/19/30/1385511930.db2.gz TYVFBXSEFUVPGV-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317811992 1385511938 /nfs/dbraw/zinc/51/19/38/1385511938.db2.gz TYVFBXSEFUVPGV-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318403419 1385674945 /nfs/dbraw/zinc/67/49/45/1385674945.db2.gz RPRRRRNOKCHKIN-QZTJIDSGSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318403419 1385674949 /nfs/dbraw/zinc/67/49/49/1385674949.db2.gz RPRRRRNOKCHKIN-QZTJIDSGSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H](C)c2cccc(F)c2)CCCC1 ZINC001318672018 1385829726 /nfs/dbraw/zinc/82/97/26/1385829726.db2.gz VQGJNXRRJZCRJS-MRXNPFEDSA-N 1 3 349.494 3.246 10 0 EGAEHO CCC(CC)C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001318806068 1385858523 /nfs/dbraw/zinc/85/85/23/1385858523.db2.gz TTYNSSRLAXGXKX-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001319285036 1386042584 /nfs/dbraw/zinc/04/25/84/1386042584.db2.gz JDXRSGRDNDZIIC-CABCVRRESA-N 1 3 339.911 3.083 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915848 1386387686 /nfs/dbraw/zinc/38/76/86/1386387686.db2.gz CAOIPUBZFTUNJX-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948585 1386412143 /nfs/dbraw/zinc/41/21/43/1386412143.db2.gz YGDFYKISAVFFMN-MSOLQXFVSA-N 1 3 339.568 3.416 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001698704674 1406346649 /nfs/dbraw/zinc/34/66/49/1406346649.db2.gz XJZQURGIUZMWEN-UHFFFAOYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC001322852607 1387246790 /nfs/dbraw/zinc/24/67/90/1387246790.db2.gz SGGSPNPPWQDKLI-VQTJNVASSA-N 1 3 345.531 3.450 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCCC1)N(C)C ZINC001329829615 1389233342 /nfs/dbraw/zinc/23/33/42/1389233342.db2.gz RAZODTNJQYGKDF-LJQANCHMSA-N 1 3 345.531 3.244 10 0 EGAEHO CC[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075263 1389622288 /nfs/dbraw/zinc/62/22/88/1389622288.db2.gz UAYHHFWIUWXVIW-HXUWFJFHSA-N 1 3 345.531 3.401 10 0 EGAEHO CC[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075263 1389622292 /nfs/dbraw/zinc/62/22/92/1389622292.db2.gz UAYHHFWIUWXVIW-HXUWFJFHSA-N 1 3 345.531 3.401 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001332343537 1390092098 /nfs/dbraw/zinc/09/20/98/1390092098.db2.gz ZBYCTCLFBWYGQR-XLIONFOSSA-N 1 3 345.531 3.282 10 0 EGAEHO CC[C@@H](C(=O)NC1(C2CC[NH+](CCCC(C)C)CC2)CC1)N(C)C ZINC001333180405 1390262192 /nfs/dbraw/zinc/26/21/92/1390262192.db2.gz QSEWRGYXTPERPJ-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001333457731 1390308345 /nfs/dbraw/zinc/30/83/45/1390308345.db2.gz MEDMWNUHDWAPSX-HDICACEKSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001333457731 1390308349 /nfs/dbraw/zinc/30/83/49/1390308349.db2.gz MEDMWNUHDWAPSX-HDICACEKSA-N 1 3 347.547 3.188 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC001486441723 1391008468 /nfs/dbraw/zinc/00/84/68/1391008468.db2.gz WQDRFMFFDQCILM-APWZRJJASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001698804510 1406484468 /nfs/dbraw/zinc/48/44/68/1406484468.db2.gz VQZKAMLPVLWEFY-QZTJIDSGSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001479316826 1392212612 /nfs/dbraw/zinc/21/26/12/1392212612.db2.gz WVKMVYSJULUHBR-CALCHBBNSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001479416459 1392239460 /nfs/dbraw/zinc/23/94/60/1392239460.db2.gz ISHFERCFYUMXCD-GUDVDZBRSA-N 1 3 345.531 3.189 10 0 EGAEHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001479476010 1392251898 /nfs/dbraw/zinc/25/18/98/1392251898.db2.gz PLNCYERNGNSILB-RBUKOAKNSA-N 1 3 345.531 3.039 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCC2CCCCCC2)C1 ZINC001479797081 1392395819 /nfs/dbraw/zinc/39/58/19/1392395819.db2.gz RLTURLCGHMLZOP-SFHVURJKSA-N 1 3 337.552 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCC2CCCCCC2)C1 ZINC001479797081 1392395823 /nfs/dbraw/zinc/39/58/23/1392395823.db2.gz RLTURLCGHMLZOP-SFHVURJKSA-N 1 3 337.552 3.127 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)N1CCCCCC1 ZINC001480051388 1392551941 /nfs/dbraw/zinc/55/19/41/1392551941.db2.gz QIILDZPTZQDXRD-FXAWDEMLSA-N 1 3 347.547 3.236 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085157 1392574663 /nfs/dbraw/zinc/57/46/63/1392574663.db2.gz QBDKFABXYDDITM-IAGOWNOFSA-N 1 3 349.494 3.009 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001480256534 1392641049 /nfs/dbraw/zinc/64/10/49/1392641049.db2.gz DCWUDGALHKQGKI-KRWDZBQOSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001480256534 1392641050 /nfs/dbraw/zinc/64/10/50/1392641050.db2.gz DCWUDGALHKQGKI-KRWDZBQOSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480296711 1392664594 /nfs/dbraw/zinc/66/45/94/1392664594.db2.gz DAXVJFODMJHQKV-RTBURBONSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001480461840 1392759640 /nfs/dbraw/zinc/75/96/40/1392759640.db2.gz OWRGZYDBDSZSJB-KRWDZBQOSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742604 1392908423 /nfs/dbraw/zinc/90/84/23/1392908423.db2.gz OIMFPZUTFYFFHA-RBUKOAKNSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742604 1392908434 /nfs/dbraw/zinc/90/84/34/1392908434.db2.gz OIMFPZUTFYFFHA-RBUKOAKNSA-N 1 3 345.531 3.319 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001480952208 1393043380 /nfs/dbraw/zinc/04/33/80/1393043380.db2.gz ZOUKCJBTHGKFBE-QUCCMNQESA-N 1 3 345.531 3.287 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001480952208 1393043382 /nfs/dbraw/zinc/04/33/82/1393043382.db2.gz ZOUKCJBTHGKFBE-QUCCMNQESA-N 1 3 345.531 3.287 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)N(C)C ZINC001481043825 1393104513 /nfs/dbraw/zinc/10/45/13/1393104513.db2.gz GDJNLAPMFLLBRP-MOPGFXCFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCC1=CCCCC1)N(C)C ZINC001481043825 1393104514 /nfs/dbraw/zinc/10/45/14/1393104514.db2.gz GDJNLAPMFLLBRP-MOPGFXCFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001481343007 1393168791 /nfs/dbraw/zinc/16/87/91/1393168791.db2.gz KZKDBLVVSMICND-GOSISDBHSA-N 1 3 349.563 3.434 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+]CCCC1CCCC1 ZINC001698918111 1406652732 /nfs/dbraw/zinc/65/27/32/1406652732.db2.gz SCXSBXLHDNSYMR-LJQANCHMSA-N 1 3 346.519 3.283 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001698927635 1406663673 /nfs/dbraw/zinc/66/36/73/1406663673.db2.gz GAERBJFTGJNMNF-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001490594921 1394277759 /nfs/dbraw/zinc/27/77/59/1394277759.db2.gz JURWMDMVVJMGPN-GOSISDBHSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816419 1394543333 /nfs/dbraw/zinc/54/33/33/1394543333.db2.gz LPBSRROSTPIWCR-WOJBJXKFSA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)N1CCCCC1 ZINC001482385062 1394945026 /nfs/dbraw/zinc/94/50/26/1394945026.db2.gz YVSHIYNPIHYYHT-GOSISDBHSA-N 1 3 337.552 3.338 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001482493918 1395045927 /nfs/dbraw/zinc/04/59/27/1395045927.db2.gz IJCAPYPTUUYSAI-VQIMIIECSA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501629 1395054295 /nfs/dbraw/zinc/05/42/95/1395054295.db2.gz RGVUZKKYUUZEQR-AZUAARDMSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001484768834 1395526383 /nfs/dbraw/zinc/52/63/83/1395526383.db2.gz HVVMKRVBDDRKMA-GOSISDBHSA-N 1 3 333.520 3.177 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001484768834 1395526385 /nfs/dbraw/zinc/52/63/85/1395526385.db2.gz HVVMKRVBDDRKMA-GOSISDBHSA-N 1 3 333.520 3.177 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001484975849 1395614969 /nfs/dbraw/zinc/61/49/69/1395614969.db2.gz JNPHFHNYWDJJJN-QZTJIDSGSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001484975849 1395614977 /nfs/dbraw/zinc/61/49/77/1395614977.db2.gz JNPHFHNYWDJJJN-QZTJIDSGSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001485260545 1395746560 /nfs/dbraw/zinc/74/65/60/1395746560.db2.gz RWFMSVCXARZRRK-DLBZAZTESA-N 1 3 343.531 3.072 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001486222183 1396184539 /nfs/dbraw/zinc/18/45/39/1396184539.db2.gz XNPACCAPJPKYPI-UYAOXDASSA-N 1 3 345.531 3.018 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494081741 1396356967 /nfs/dbraw/zinc/35/69/67/1396356967.db2.gz BZMLKLSSZYPCOO-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494081741 1396356971 /nfs/dbraw/zinc/35/69/71/1396356971.db2.gz BZMLKLSSZYPCOO-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001494083059 1396357218 /nfs/dbraw/zinc/35/72/18/1396357218.db2.gz LUNMUVQYZKUFEU-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001494083059 1396357221 /nfs/dbraw/zinc/35/72/21/1396357221.db2.gz LUNMUVQYZKUFEU-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001494146438 1396382465 /nfs/dbraw/zinc/38/24/65/1396382465.db2.gz RRIZWMJOJUJFMW-PMACEKPBSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001494146438 1396382474 /nfs/dbraw/zinc/38/24/74/1396382474.db2.gz RRIZWMJOJUJFMW-PMACEKPBSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001496179555 1396620590 /nfs/dbraw/zinc/62/05/90/1396620590.db2.gz SXBWPILJJWQAAS-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001497691192 1396785955 /nfs/dbraw/zinc/78/59/55/1396785955.db2.gz KLGKDMSTRNLSGS-IHHMQQGQSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001689232606 1396984030 /nfs/dbraw/zinc/98/40/30/1396984030.db2.gz NYKWYEWNORDSOE-UXHICEINSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001689232606 1396984033 /nfs/dbraw/zinc/98/40/33/1396984033.db2.gz NYKWYEWNORDSOE-UXHICEINSA-N 1 3 349.563 3.245 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)CCC(C)(C)C ZINC001689970643 1404234854 /nfs/dbraw/zinc/23/48/54/1404234854.db2.gz WEPHUMIQLIZIFA-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)CCC(C)(C)C ZINC001689970643 1404234855 /nfs/dbraw/zinc/23/48/55/1404234855.db2.gz WEPHUMIQLIZIFA-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001690131614 1404325870 /nfs/dbraw/zinc/32/58/70/1404325870.db2.gz VKDRAVJGNOZTKP-LKGOPFMKSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690394060 1404536317 /nfs/dbraw/zinc/53/63/17/1404536317.db2.gz RPVXJZAOUPWBHE-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690394060 1404536320 /nfs/dbraw/zinc/53/63/20/1404536320.db2.gz RPVXJZAOUPWBHE-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394380 1404536903 /nfs/dbraw/zinc/53/69/03/1404536903.db2.gz YRKLAXFXRVQCNO-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394380 1404536908 /nfs/dbraw/zinc/53/69/08/1404536908.db2.gz YRKLAXFXRVQCNO-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001690487387 1404601752 /nfs/dbraw/zinc/60/17/52/1404601752.db2.gz RHRWYMATMQTWBG-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CC[C@H](C(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001690535372 1404625046 /nfs/dbraw/zinc/62/50/46/1404625046.db2.gz IKAOQFYYYIDHCQ-QMEOEDOASA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001691117025 1405057546 /nfs/dbraw/zinc/05/75/46/1405057546.db2.gz GNELAIHVHHCXRQ-GBESFXJTSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)(C)[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001725741408 1426417198 /nfs/dbraw/zinc/41/71/98/1426417198.db2.gz BVJXTUJPXCIXPU-SFHVURJKSA-N 1 3 349.563 3.482 10 0 EGAEHO CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001691476820 1405293828 /nfs/dbraw/zinc/29/38/28/1405293828.db2.gz RIJWKQYKKLGODN-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001691960331 1405677658 /nfs/dbraw/zinc/67/76/58/1405677658.db2.gz PAARJFMENXBUJA-FQQSSWHASA-N 1 3 349.563 3.386 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999654 1405715909 /nfs/dbraw/zinc/71/59/09/1405715909.db2.gz VIADXIJVCPLAAY-OALUTQOASA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999654 1405715914 /nfs/dbraw/zinc/71/59/14/1405715914.db2.gz VIADXIJVCPLAAY-OALUTQOASA-N 1 3 345.531 3.177 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698549291 1406147141 /nfs/dbraw/zinc/14/71/41/1406147141.db2.gz QIYIBQLADJLJMC-HCZHMGAMSA-N 1 3 343.515 3.299 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698549291 1406147145 /nfs/dbraw/zinc/14/71/45/1406147145.db2.gz QIYIBQLADJLJMC-HCZHMGAMSA-N 1 3 343.515 3.299 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001698553883 1406152467 /nfs/dbraw/zinc/15/24/67/1406152467.db2.gz SVVQEXUBNHRNHS-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001698553883 1406152473 /nfs/dbraw/zinc/15/24/73/1406152473.db2.gz SVVQEXUBNHRNHS-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578414 1406188571 /nfs/dbraw/zinc/18/85/71/1406188571.db2.gz UKDZARVRYWRMBA-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578414 1406188579 /nfs/dbraw/zinc/18/85/79/1406188579.db2.gz UKDZARVRYWRMBA-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC1=CCCCC1)c1ccccc1 ZINC001732026029 1428244292 /nfs/dbraw/zinc/24/42/92/1428244292.db2.gz GSTDRRMNGQEHHQ-FQEVSTJZSA-N 1 3 343.515 3.274 10 0 EGAEHO C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001699101457 1412510262 /nfs/dbraw/zinc/51/02/62/1412510262.db2.gz WUOIDNDEIUKAES-KRWDZBQOSA-N 1 3 337.552 3.316 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507816 1412896427 /nfs/dbraw/zinc/89/64/27/1412896427.db2.gz JMIXCGDCKODEBM-RTBURBONSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001699508539 1412897393 /nfs/dbraw/zinc/89/73/93/1412897393.db2.gz BKZRYYBFCDMXIS-UHFFFAOYSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CC1 ZINC001699664927 1413050368 /nfs/dbraw/zinc/05/03/68/1413050368.db2.gz YVHQOXFZFJQIFE-LJQANCHMSA-N 1 3 349.563 3.458 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697921 1413108646 /nfs/dbraw/zinc/10/86/46/1413108646.db2.gz VNRPMCDYVPXKLT-NJRZHNRPSA-N 1 3 349.563 3.389 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697921 1413108649 /nfs/dbraw/zinc/10/86/49/1413108649.db2.gz VNRPMCDYVPXKLT-NJRZHNRPSA-N 1 3 349.563 3.389 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001700109521 1413529032 /nfs/dbraw/zinc/52/90/32/1413529032.db2.gz OEGZTYTXJNPDLJ-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227697 1413683261 /nfs/dbraw/zinc/68/32/61/1413683261.db2.gz SNMVSAORJXFIBH-NYPGBQQYSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227697 1413683264 /nfs/dbraw/zinc/68/32/64/1413683264.db2.gz SNMVSAORJXFIBH-NYPGBQQYSA-N 1 3 347.547 3.142 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312432 1413767671 /nfs/dbraw/zinc/76/76/71/1413767671.db2.gz AJKSTGVUTFAFHL-SJLPKXTDSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001700312432 1413767676 /nfs/dbraw/zinc/76/76/76/1413767676.db2.gz AJKSTGVUTFAFHL-SJLPKXTDSA-N 1 3 347.547 3.020 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001700508025 1414156019 /nfs/dbraw/zinc/15/60/19/1414156019.db2.gz XUERPTMOZKSIID-UYAOXDASSA-N 1 3 345.531 3.306 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001700860236 1414508936 /nfs/dbraw/zinc/50/89/36/1414508936.db2.gz SDTFYPTZSJCPEP-LDBCMITESA-N 1 3 343.515 3.297 10 0 EGAEHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001732597478 1428838849 /nfs/dbraw/zinc/83/88/49/1428838849.db2.gz NECDHRXGPDMHIX-OALUTQOASA-N 1 3 345.531 3.066 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001732604856 1428858600 /nfs/dbraw/zinc/85/86/00/1428858600.db2.gz GJFSFLROTDVUDY-YZBXUTEPSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001732604856 1428858601 /nfs/dbraw/zinc/85/86/01/1428858601.db2.gz GJFSFLROTDVUDY-YZBXUTEPSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001732728656 1428931907 /nfs/dbraw/zinc/93/19/07/1428931907.db2.gz KMLAPKVOIVYZFX-MSOLQXFVSA-N 1 3 345.531 3.136 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732801009 1428980516 /nfs/dbraw/zinc/98/05/16/1428980516.db2.gz DXWNTVXGNWAVBZ-ROUUACIJSA-N 1 3 349.544 3.012 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001732801009 1428980520 /nfs/dbraw/zinc/98/05/20/1428980520.db2.gz DXWNTVXGNWAVBZ-ROUUACIJSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)c(C)c1 ZINC001732974218 1429101163 /nfs/dbraw/zinc/10/11/63/1429101163.db2.gz INVGMWCCHAATFF-QUCCMNQESA-N 1 3 345.531 3.161 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001707242832 1417262750 /nfs/dbraw/zinc/26/27/50/1417262750.db2.gz XAVUCJRGPIRNEX-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253613 1417267215 /nfs/dbraw/zinc/26/72/15/1417267215.db2.gz XYUPUTLQJDLBLK-PDTMIUJASA-N 1 3 349.563 3.432 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253613 1417267219 /nfs/dbraw/zinc/26/72/19/1417267219.db2.gz XYUPUTLQJDLBLK-PDTMIUJASA-N 1 3 349.563 3.432 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001712984147 1417536070 /nfs/dbraw/zinc/53/60/70/1417536070.db2.gz VDNCXTGWTGJDLJ-IEBWSBKVSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C)N(C)C ZINC001712984147 1417536072 /nfs/dbraw/zinc/53/60/72/1417536072.db2.gz VDNCXTGWTGJDLJ-IEBWSBKVSA-N 1 3 333.520 3.143 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001712990938 1417542588 /nfs/dbraw/zinc/54/25/88/1417542588.db2.gz KCAULSNWDXLGPU-PKOBYXMFSA-N 1 3 331.504 3.060 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001712990938 1417542589 /nfs/dbraw/zinc/54/25/89/1417542589.db2.gz KCAULSNWDXLGPU-PKOBYXMFSA-N 1 3 331.504 3.060 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713244762 1417830795 /nfs/dbraw/zinc/83/07/95/1417830795.db2.gz WATBSGWQADPVAR-LJQANCHMSA-N 1 3 335.536 3.047 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCCN1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515595 1418250192 /nfs/dbraw/zinc/25/01/92/1418250192.db2.gz XTCKJVUBBONVLT-VQTJNVASSA-N 1 3 345.531 3.196 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001713775491 1418591681 /nfs/dbraw/zinc/59/16/81/1418591681.db2.gz LEQWABURKXZRAV-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001713775491 1418591687 /nfs/dbraw/zinc/59/16/87/1418591687.db2.gz LEQWABURKXZRAV-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001713859073 1418656218 /nfs/dbraw/zinc/65/62/18/1418656218.db2.gz YBLWTDZDJJPSEZ-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)(C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)N1CCCCC1 ZINC001733172456 1429275052 /nfs/dbraw/zinc/27/50/52/1429275052.db2.gz QPRATOJSCLATMY-GOSISDBHSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713896855 1418694966 /nfs/dbraw/zinc/69/49/66/1418694966.db2.gz LEARCDVUBYTRBV-UXHICEINSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713896855 1418694969 /nfs/dbraw/zinc/69/49/69/1418694969.db2.gz LEARCDVUBYTRBV-UXHICEINSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186786 1429288391 /nfs/dbraw/zinc/28/83/91/1429288391.db2.gz ZVBSATJJLWDAJZ-MSOLQXFVSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001714109672 1418911022 /nfs/dbraw/zinc/91/10/22/1418911022.db2.gz MSDKFDDPTCGWKT-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001714109672 1418911025 /nfs/dbraw/zinc/91/10/25/1418911025.db2.gz MSDKFDDPTCGWKT-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163773 1418974314 /nfs/dbraw/zinc/97/43/14/1418974314.db2.gz WFOHPXBHXUCBFQ-YLJYHZDGSA-N 1 3 337.552 3.170 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001714175929 1418983540 /nfs/dbraw/zinc/98/35/40/1418983540.db2.gz CRMAVPRVKDCVMW-FQEVSTJZSA-N 1 3 344.503 3.026 10 0 EGAEHO CCCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714209067 1419009268 /nfs/dbraw/zinc/00/92/68/1419009268.db2.gz SWHZQCMXUVFWNY-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411058 1419150144 /nfs/dbraw/zinc/15/01/44/1419150144.db2.gz JHMGCRVWCDPERU-DLBZAZTESA-N 1 3 325.541 3.172 10 0 EGAEHO CCC/C=C\CC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001714915965 1419667036 /nfs/dbraw/zinc/66/70/36/1419667036.db2.gz ZXYDTLADLPPVGF-FPLPWBNLSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001714915965 1419667038 /nfs/dbraw/zinc/66/70/38/1419667038.db2.gz ZXYDTLADLPPVGF-FPLPWBNLSA-N 1 3 349.563 3.388 10 0 EGAEHO O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001714992163 1419724759 /nfs/dbraw/zinc/72/47/59/1419724759.db2.gz NAWMTTIXALXVPD-PMACEKPBSA-N 1 3 345.531 3.038 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001715006589 1419736339 /nfs/dbraw/zinc/73/63/39/1419736339.db2.gz CFLUAQWDVFMTNI-GLCUZYPYSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001715006589 1419736342 /nfs/dbraw/zinc/73/63/42/1419736342.db2.gz CFLUAQWDVFMTNI-GLCUZYPYSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018570 1419748431 /nfs/dbraw/zinc/74/84/31/1419748431.db2.gz IAMIDCICVRQIIP-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018570 1419748436 /nfs/dbraw/zinc/74/84/36/1419748436.db2.gz IAMIDCICVRQIIP-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C2CC2)c(C)c1 ZINC001715124906 1419870921 /nfs/dbraw/zinc/87/09/21/1419870921.db2.gz NSXSDPPEOUMGDC-NRFANRHFSA-N 1 3 345.531 3.018 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238345 1429379699 /nfs/dbraw/zinc/37/96/99/1429379699.db2.gz SZAPKKNXOWRNPR-UXHICEINSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001715159809 1419901181 /nfs/dbraw/zinc/90/11/81/1419901181.db2.gz GXZSFYHLKLNPOY-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001715252105 1419976483 /nfs/dbraw/zinc/97/64/83/1419976483.db2.gz GMNKGCBYZQVJQN-IEBWSBKVSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001715307146 1420015928 /nfs/dbraw/zinc/01/59/28/1420015928.db2.gz KHTIKMLSXAHYRI-LJQANCHMSA-N 1 3 349.563 3.458 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715433346 1420121314 /nfs/dbraw/zinc/12/13/14/1420121314.db2.gz BWFWZACWGNMYIQ-HKUYNNGSSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001715535644 1420229866 /nfs/dbraw/zinc/22/98/66/1420229866.db2.gz DIDBNDLQOFMEPN-WOJBJXKFSA-N 1 3 345.531 3.006 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138531 1420538780 /nfs/dbraw/zinc/53/87/80/1420538780.db2.gz HGTLQLLDNPNQBF-IEBWSBKVSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001716174368 1420551599 /nfs/dbraw/zinc/55/15/99/1420551599.db2.gz QNGADFCATZBOLG-DLBZAZTESA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001716351534 1420614698 /nfs/dbraw/zinc/61/46/98/1420614698.db2.gz ZANPCTCTJLPISY-GHOSXJJBSA-N 1 3 335.536 3.092 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCCC1 ZINC001716507701 1420739357 /nfs/dbraw/zinc/73/93/57/1420739357.db2.gz GDIIKFGDURBXEF-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCCCC1 ZINC001716507701 1420739358 /nfs/dbraw/zinc/73/93/58/1420739358.db2.gz GDIIKFGDURBXEF-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001716546656 1420756422 /nfs/dbraw/zinc/75/64/22/1420756422.db2.gz ZYOQUJICIGUHQY-GOSISDBHSA-N 1 3 345.531 3.287 10 0 EGAEHO CC[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001716566926 1420762958 /nfs/dbraw/zinc/76/29/58/1420762958.db2.gz BZAAHXHMLKYSGK-VQIMIIECSA-N 1 3 349.494 3.057 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCC(C)CC1 ZINC001716587036 1420769375 /nfs/dbraw/zinc/76/93/75/1420769375.db2.gz OAODBCXHUSFVRE-CTWPCTMYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041372 1421095338 /nfs/dbraw/zinc/09/53/38/1421095338.db2.gz FVOQSTPSUSTICM-CSSZIBPHSA-N 1 3 347.547 3.138 10 0 EGAEHO CC/C=C/CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041372 1421095341 /nfs/dbraw/zinc/09/53/41/1421095341.db2.gz FVOQSTPSUSTICM-CSSZIBPHSA-N 1 3 347.547 3.138 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@@H]2CCC[C@H](C)C2)CCC1 ZINC001717163443 1421153311 /nfs/dbraw/zinc/15/33/11/1421153311.db2.gz YCDHDNLQBZQHBD-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@H]2CCC[C@@H](C)C2)CCC1 ZINC001717163442 1421153498 /nfs/dbraw/zinc/15/34/98/1421153498.db2.gz YCDHDNLQBZQHBD-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001717292870 1421238774 /nfs/dbraw/zinc/23/87/74/1421238774.db2.gz BXRDTZPGABQSJA-XLIONFOSSA-N 1 3 345.531 3.235 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309468 1421252124 /nfs/dbraw/zinc/25/21/24/1421252124.db2.gz NGSLHXBRKWLPOX-QULHZPMSSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309468 1421252127 /nfs/dbraw/zinc/25/21/27/1421252127.db2.gz NGSLHXBRKWLPOX-QULHZPMSSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)C1CN(CC2=CCCCC2)C1 ZINC001717564301 1421499043 /nfs/dbraw/zinc/49/90/43/1421499043.db2.gz FGRQMQJLSQYYKF-GOSISDBHSA-N 1 3 347.547 3.189 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCCN2CC)cc1 ZINC001717756796 1421619972 /nfs/dbraw/zinc/61/99/72/1421619972.db2.gz IQPVHEVHEGVIPU-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717884153 1421687401 /nfs/dbraw/zinc/68/74/01/1421687401.db2.gz HOQCZABDWPFECS-ROUUACIJSA-N 1 3 346.519 3.106 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001718004220 1421770665 /nfs/dbraw/zinc/77/06/65/1421770665.db2.gz IORMZRLQILTVNT-QZTJIDSGSA-N 1 3 347.547 3.186 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001733327316 1429512715 /nfs/dbraw/zinc/51/27/15/1429512715.db2.gz NCKCDMBBRYPCNS-DLBZAZTESA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001733361941 1429546434 /nfs/dbraw/zinc/54/64/34/1429546434.db2.gz MBPPOBPQFQCSDS-GOSISDBHSA-N 1 3 345.531 3.367 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001733426511 1429634113 /nfs/dbraw/zinc/63/41/13/1429634113.db2.gz SZLNXULDCSMFQX-XLIONFOSSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1)N1CCCCC1 ZINC001723514074 1424447073 /nfs/dbraw/zinc/44/70/73/1424447073.db2.gz BGARBNWFSUCXBE-UHFFFAOYSA-N 1 3 347.547 3.070 10 0 EGAEHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1=CCCCC1 ZINC001723669102 1424522999 /nfs/dbraw/zinc/52/29/99/1424522999.db2.gz OIMYWDXVPKYUQZ-BGYRXZFFSA-N 1 3 347.547 3.284 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1=CCCCC1 ZINC001723669102 1424523003 /nfs/dbraw/zinc/52/30/03/1424523003.db2.gz OIMYWDXVPKYUQZ-BGYRXZFFSA-N 1 3 347.547 3.284 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001724026598 1424634418 /nfs/dbraw/zinc/63/44/18/1424634418.db2.gz XUDWAHTUIQYTOJ-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCCC1)C2 ZINC001724505606 1424881452 /nfs/dbraw/zinc/88/14/52/1424881452.db2.gz IGMCQMZRMSOVKL-UFYCRDLUSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCCC1)C2 ZINC001724505606 1424881457 /nfs/dbraw/zinc/88/14/57/1424881457.db2.gz IGMCQMZRMSOVKL-UFYCRDLUSA-N 1 3 349.563 3.266 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001724696150 1425055396 /nfs/dbraw/zinc/05/53/96/1425055396.db2.gz HBBZQTIONORHJN-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001724859855 1425241285 /nfs/dbraw/zinc/24/12/85/1425241285.db2.gz JXRGVRYKXLRXGB-GOSISDBHSA-N 1 3 333.520 3.177 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001724859855 1425241288 /nfs/dbraw/zinc/24/12/88/1425241288.db2.gz JXRGVRYKXLRXGB-GOSISDBHSA-N 1 3 333.520 3.177 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001724890964 1425278240 /nfs/dbraw/zinc/27/82/40/1425278240.db2.gz IMXVEQNINFBDNZ-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725108533 1425562137 /nfs/dbraw/zinc/56/21/37/1425562137.db2.gz MPDMGDPZDSNNQA-RNVJXAMWSA-N 1 3 345.531 3.161 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001725334223 1425978962 /nfs/dbraw/zinc/97/89/62/1425978962.db2.gz LXYGGNQRAAWUBM-GBESFXJTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001725334223 1425978964 /nfs/dbraw/zinc/97/89/64/1425978964.db2.gz LXYGGNQRAAWUBM-GBESFXJTSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001725420496 1426069752 /nfs/dbraw/zinc/06/97/52/1426069752.db2.gz VVDFTDHDFWOLOJ-LPHOPBHVSA-N 1 3 345.531 3.020 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736702 1426411302 /nfs/dbraw/zinc/41/13/02/1426411302.db2.gz DEMQRQWUEBVGNS-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C ZINC001725749016 1426427425 /nfs/dbraw/zinc/42/74/25/1426427425.db2.gz CGRFCORLFORAGK-KRWDZBQOSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C(C)(C)C ZINC001725755212 1426434578 /nfs/dbraw/zinc/43/45/78/1426434578.db2.gz FXVIECAFANSJAW-QZTJIDSGSA-N 1 3 339.568 3.273 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC001725762327 1426443127 /nfs/dbraw/zinc/44/31/27/1426443127.db2.gz AHFRUFALKIFUCG-MBOZVWFJSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001731536461 1427535165 /nfs/dbraw/zinc/53/51/65/1427535165.db2.gz AHHQJPPVOOLSHL-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001731536461 1427535167 /nfs/dbraw/zinc/53/51/67/1427535167.db2.gz AHHQJPPVOOLSHL-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594531 1427636357 /nfs/dbraw/zinc/63/63/57/1427636357.db2.gz IDLNXRMEVNJPCH-XLIONFOSSA-N 1 3 345.531 3.279 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001731720218 1427787938 /nfs/dbraw/zinc/78/79/38/1427787938.db2.gz MMYDHDWDFDQBJK-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001731720218 1427787940 /nfs/dbraw/zinc/78/79/40/1427787940.db2.gz MMYDHDWDFDQBJK-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001733684910 1429900043 /nfs/dbraw/zinc/90/00/43/1429900043.db2.gz QMMPVHNEVNIWLT-ROUUACIJSA-N 1 3 345.531 3.341 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001733761716 1429976859 /nfs/dbraw/zinc/97/68/59/1429976859.db2.gz YOGHOUMZKXHZRU-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)C)CC1 ZINC001733761716 1429976865 /nfs/dbraw/zinc/97/68/65/1429976865.db2.gz YOGHOUMZKXHZRU-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1)C(C)C ZINC001733781760 1430047029 /nfs/dbraw/zinc/04/70/29/1430047029.db2.gz QWFMDBTWSSRQRS-ZCNNSNEGSA-N 1 3 349.563 3.218 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC1CC1 ZINC001734023623 1437812239 /nfs/dbraw/zinc/81/22/39/1437812239.db2.gz FQUAVVIDJRJZPX-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308213 1438040111 /nfs/dbraw/zinc/04/01/11/1438040111.db2.gz HKQHAFMRIQLBGZ-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001734352418 1438070286 /nfs/dbraw/zinc/07/02/86/1438070286.db2.gz OIJSWETVYNXTEF-HNNXBMFYSA-N 1 3 347.528 3.180 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)Cc1ccc(C)cc1)C(C)C)N(C)C ZINC001734552038 1438150185 /nfs/dbraw/zinc/15/01/85/1438150185.db2.gz XYHSYWNILUNZLC-IBGZPJMESA-N 1 3 333.520 3.004 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1ccc(C)cc1)C(C)C)N(C)C ZINC001734552038 1438150187 /nfs/dbraw/zinc/15/01/87/1438150187.db2.gz XYHSYWNILUNZLC-IBGZPJMESA-N 1 3 333.520 3.004 10 0 EGAEHO Cc1nc(CN2CCCN(c3cc[nH+]c(C)c3)CC2)c2ccccn12 ZINC000072159314 216049292 /nfs/dbraw/zinc/04/92/92/216049292.db2.gz QGNXRSGDGJGUOP-UHFFFAOYSA-N 1 3 335.455 3.058 10 0 EGAEHO C(C1CC1)[N@@H+]1CCC[C@]2(CCN(C3CSCCSC3)C2)C1 ZINC000020453391 212130922 /nfs/dbraw/zinc/13/09/22/212130922.db2.gz FRWFHHBKAITBEV-KRWDZBQOSA-N 1 3 326.575 3.033 10 0 EGAEHO C(C1CC1)[N@H+]1CCC[C@]2(CCN(C3CSCCSC3)C2)C1 ZINC000020453391 212130924 /nfs/dbraw/zinc/13/09/24/212130924.db2.gz FRWFHHBKAITBEV-KRWDZBQOSA-N 1 3 326.575 3.033 10 0 EGAEHO C(C1CC1)N1CCC[C@]2(CC[N@@H+](C3CSCCSC3)C2)C1 ZINC000020453391 212130927 /nfs/dbraw/zinc/13/09/27/212130927.db2.gz FRWFHHBKAITBEV-KRWDZBQOSA-N 1 3 326.575 3.033 10 0 EGAEHO C(C1CC1)N1CCC[C@]2(CC[N@H+](C3CSCCSC3)C2)C1 ZINC000020453391 212130929 /nfs/dbraw/zinc/13/09/29/212130929.db2.gz FRWFHHBKAITBEV-KRWDZBQOSA-N 1 3 326.575 3.033 10 0 EGAEHO C[C@@H](NCCOCCOc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923769 141217432 /nfs/dbraw/zinc/21/74/32/141217432.db2.gz DOKPAUVUJPRSRF-RTBURBONSA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@@H](NCCOCCOc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923769 141217433 /nfs/dbraw/zinc/21/74/33/141217433.db2.gz DOKPAUVUJPRSRF-RTBURBONSA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@@H]([NH2+]CCOCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347923769 141217434 /nfs/dbraw/zinc/21/74/34/141217434.db2.gz DOKPAUVUJPRSRF-RTBURBONSA-N 1 3 346.515 3.325 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1)C(C)C ZINC000347983892 141228239 /nfs/dbraw/zinc/22/82/39/141228239.db2.gz LQMRRYHKBVNKJE-HXUWFJFHSA-N 1 3 343.515 3.083 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1)C(C)C ZINC000347983892 141228241 /nfs/dbraw/zinc/22/82/41/141228241.db2.gz LQMRRYHKBVNKJE-HXUWFJFHSA-N 1 3 343.515 3.083 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000119381738 152200083 /nfs/dbraw/zinc/20/00/83/152200083.db2.gz BUERSADRIFKMPK-HXUWFJFHSA-N 1 3 343.515 3.133 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000119381738 152200086 /nfs/dbraw/zinc/20/00/86/152200086.db2.gz BUERSADRIFKMPK-HXUWFJFHSA-N 1 3 343.515 3.133 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337509674 154388803 /nfs/dbraw/zinc/38/88/03/154388803.db2.gz QRJCZTIBBISIFH-CTWPCTMYSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000110871072 162137818 /nfs/dbraw/zinc/13/78/18/162137818.db2.gz MJPNSRNUHYQEPW-LJQANCHMSA-N 1 3 331.504 3.017 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110871072 162137821 /nfs/dbraw/zinc/13/78/21/162137821.db2.gz MJPNSRNUHYQEPW-LJQANCHMSA-N 1 3 331.504 3.017 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000350175740 165015831 /nfs/dbraw/zinc/01/58/31/165015831.db2.gz ISEDBPWBBNRZDF-UHFFFAOYSA-N 1 3 341.503 3.036 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354993939 166082024 /nfs/dbraw/zinc/08/20/24/166082024.db2.gz PYUCLYBVWLVISE-LJQANCHMSA-N 1 3 329.488 3.138 10 0 EGAEHO Cc1cccc(CN(CCN(C)C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000355038694 166090677 /nfs/dbraw/zinc/09/06/77/166090677.db2.gz BRALUOWDEDOWGW-FQEVSTJZSA-N 1 3 345.531 3.150 10 0 EGAEHO Cc1cccc(CN(CCN(C)C)C(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000355038694 166090678 /nfs/dbraw/zinc/09/06/78/166090678.db2.gz BRALUOWDEDOWGW-FQEVSTJZSA-N 1 3 345.531 3.150 10 0 EGAEHO C[C@H]1C[C@H](NC[C@@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000286871812 276052325 /nfs/dbraw/zinc/05/23/25/276052325.db2.gz BVWFPIMIFINUIA-BWAGFHJFSA-N 1 3 338.495 3.233 10 0 EGAEHO C[C@H]1C[C@H](NC[C@@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000286871812 276052327 /nfs/dbraw/zinc/05/23/27/276052327.db2.gz BVWFPIMIFINUIA-BWAGFHJFSA-N 1 3 338.495 3.233 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246911702 276361699 /nfs/dbraw/zinc/36/16/99/276361699.db2.gz PTZHOHFSZICJIR-JFIYKMOQSA-N 1 3 349.544 3.122 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246911702 276361701 /nfs/dbraw/zinc/36/17/01/276361701.db2.gz PTZHOHFSZICJIR-JFIYKMOQSA-N 1 3 349.544 3.122 10 0 EGAEHO C[C@H]1CN(CCCC[NH2+]Cc2ccccc2OCC2CC2)C[C@H](C)O1 ZINC000062252791 307353500 /nfs/dbraw/zinc/35/35/00/307353500.db2.gz JSPMHFYBPOTZOQ-ROUUACIJSA-N 1 3 346.515 3.454 10 0 EGAEHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000248990550 308016568 /nfs/dbraw/zinc/01/65/68/308016568.db2.gz FTCHDYUQIVYZOT-VIYGXFRKSA-N 1 3 328.500 3.444 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293753538 308158521 /nfs/dbraw/zinc/15/85/21/308158521.db2.gz OISYNUGYDXDHGC-JKSUJKDBSA-N 1 3 331.460 3.026 10 0 EGAEHO c1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000298291164 308600864 /nfs/dbraw/zinc/60/08/64/308600864.db2.gz HFZVHQKKMKDBSV-SFHVURJKSA-N 1 3 336.483 3.167 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000414816266 309103351 /nfs/dbraw/zinc/10/33/51/309103351.db2.gz ZSVJTWCBAPANGW-ZIAGYGMSSA-N 1 3 329.419 3.352 10 0 EGAEHO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C)[C@H](C)N)cc2)c1 ZINC000415024216 309114910 /nfs/dbraw/zinc/11/49/10/309114910.db2.gz YJSQXYXSFZAUPA-UONOGXRCSA-N 1 3 330.428 3.321 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)cc1 ZINC000417816300 309223760 /nfs/dbraw/zinc/22/37/60/309223760.db2.gz PUHYMMHNQNCFFO-KBXCAEBGSA-N 1 3 325.456 3.049 10 0 EGAEHO CC[C@@H](CN1CCCC2(CCC[N@H+](C[C@H](CC)OC)C2)C1)OC ZINC000419284670 309262894 /nfs/dbraw/zinc/26/28/94/309262894.db2.gz TULKOLPWWPDAQZ-ADUPEVMXSA-N 1 3 326.525 3.014 10 0 EGAEHO CC[C@@H](CN1CCCC2(CCC[N@@H+](C[C@H](CC)OC)C2)C1)OC ZINC000419284670 309262895 /nfs/dbraw/zinc/26/28/95/309262895.db2.gz TULKOLPWWPDAQZ-ADUPEVMXSA-N 1 3 326.525 3.014 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000422775790 309367784 /nfs/dbraw/zinc/36/77/84/309367784.db2.gz CICICNNJIBNHKD-XLIONFOSSA-N 1 3 330.447 3.453 10 0 EGAEHO CC[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1ccccc1F ZINC000422814993 309370016 /nfs/dbraw/zinc/37/00/16/309370016.db2.gz ALNVIBXXFSTHSU-CZUORRHYSA-N 1 3 331.435 3.496 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940554 309377095 /nfs/dbraw/zinc/37/70/95/309377095.db2.gz GZOFEARZKAAFAW-AZUAARDMSA-N 1 3 346.446 3.267 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423090521 309385396 /nfs/dbraw/zinc/38/53/96/309385396.db2.gz XVUHFIJIWUOMMW-MRXNPFEDSA-N 1 3 338.499 3.416 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423134297 309387688 /nfs/dbraw/zinc/38/76/88/309387688.db2.gz LTXNZGYRBHDTBA-KFWWJZLASA-N 1 3 327.394 3.153 10 0 EGAEHO COc1cc(C)c([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1OC ZINC000423185549 309389543 /nfs/dbraw/zinc/38/95/43/309389543.db2.gz JNWNCFBFEQHMAE-INIZCTEOSA-N 1 3 343.471 3.238 10 0 EGAEHO C[C@@H](NCC1([NH3+])CCCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000423198162 309390163 /nfs/dbraw/zinc/39/01/63/309390163.db2.gz DLFSEPRBNMWHHQ-QGZVFWFLSA-N 1 3 333.520 3.329 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000434622203 309715661 /nfs/dbraw/zinc/71/56/61/309715661.db2.gz BRBCMMWWTDQKBY-UHFFFAOYSA-N 1 3 347.478 3.271 10 0 EGAEHO Cc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cs1 ZINC000449081745 310035459 /nfs/dbraw/zinc/03/54/59/310035459.db2.gz HPMHEMAVMBJTOX-UHFFFAOYSA-N 1 3 329.513 3.094 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000449184821 310043062 /nfs/dbraw/zinc/04/30/62/310043062.db2.gz IJGSJUMHRXJBOS-LVCYWYKZSA-N 1 3 341.543 3.297 10 0 EGAEHO c1c2cccnc2oc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000449296030 310051126 /nfs/dbraw/zinc/05/11/26/310051126.db2.gz WWTSPOROFHCXLL-KDURUIRLSA-N 1 3 333.435 3.392 10 0 EGAEHO c1c2cccnc2oc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000449296030 310051127 /nfs/dbraw/zinc/05/11/27/310051127.db2.gz WWTSPOROFHCXLL-KDURUIRLSA-N 1 3 333.435 3.392 10 0 EGAEHO CO[C@@H]1COCC[C@@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457560 310063598 /nfs/dbraw/zinc/06/35/98/310063598.db2.gz HQUARAJPOOARBZ-SJLPKXTDSA-N 1 3 340.552 3.307 10 0 EGAEHO CO[C@@H]1COCC[C@@H]1C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449457560 310063599 /nfs/dbraw/zinc/06/35/99/310063599.db2.gz HQUARAJPOOARBZ-SJLPKXTDSA-N 1 3 340.552 3.307 10 0 EGAEHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CCCCC2)CCOCC1 ZINC000453094480 310257465 /nfs/dbraw/zinc/25/74/65/310257465.db2.gz SDIWPLAFDBJMQY-SFHVURJKSA-N 1 3 346.515 3.346 10 0 EGAEHO COC1([C@H](C)NCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000453094480 310257466 /nfs/dbraw/zinc/25/74/66/310257466.db2.gz SDIWPLAFDBJMQY-SFHVURJKSA-N 1 3 346.515 3.346 10 0 EGAEHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CCCCC2)CCOCC1 ZINC000453094478 310257541 /nfs/dbraw/zinc/25/75/41/310257541.db2.gz SDIWPLAFDBJMQY-GOSISDBHSA-N 1 3 346.515 3.346 10 0 EGAEHO COC1([C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000453094478 310257542 /nfs/dbraw/zinc/25/75/42/310257542.db2.gz SDIWPLAFDBJMQY-GOSISDBHSA-N 1 3 346.515 3.346 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(Br)s2)[C@H]2CCC[C@H]21 ZINC000513654394 312214834 /nfs/dbraw/zinc/21/48/34/312214834.db2.gz IFXMMDVJUMVLTH-FRRDWIJNSA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(Br)s2)[C@H]2CCC[C@H]21 ZINC000513654394 312214837 /nfs/dbraw/zinc/21/48/37/312214837.db2.gz IFXMMDVJUMVLTH-FRRDWIJNSA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@H]2CCC[C@H]21 ZINC000513654394 312214840 /nfs/dbraw/zinc/21/48/40/312214840.db2.gz IFXMMDVJUMVLTH-FRRDWIJNSA-N 1 3 329.307 3.473 10 0 EGAEHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000534328096 313973054 /nfs/dbraw/zinc/97/30/54/313973054.db2.gz BTXRMQKLLUAYLH-CYBMUJFWSA-N 1 3 327.875 3.156 10 0 EGAEHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000540709117 314398814 /nfs/dbraw/zinc/39/88/14/314398814.db2.gz GMZANCPAVCQHIH-PMACEKPBSA-N 1 3 346.515 3.156 10 0 EGAEHO CC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000549876651 315108504 /nfs/dbraw/zinc/10/85/04/315108504.db2.gz QVLKQBXDURSCKZ-IBGZPJMESA-N 1 3 328.500 3.305 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000552248552 315209351 /nfs/dbraw/zinc/20/93/51/315209351.db2.gz KXWQWHCMZIYZCP-IDCJVQTKSA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000552248552 315209353 /nfs/dbraw/zinc/20/93/53/315209353.db2.gz KXWQWHCMZIYZCP-IDCJVQTKSA-N 1 3 335.442 3.006 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000553405418 315262493 /nfs/dbraw/zinc/26/24/93/315262493.db2.gz NSJFTRHYVCPXKV-GOSISDBHSA-N 1 3 343.515 3.021 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000563449628 316024008 /nfs/dbraw/zinc/02/40/08/316024008.db2.gz XKRIYJOTYGDRCS-MRXNPFEDSA-N 1 3 332.492 3.038 10 0 EGAEHO CN1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000570310204 317038599 /nfs/dbraw/zinc/03/85/99/317038599.db2.gz QRGIAFURLCUYIH-QEJZJMRPSA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000570310204 317038603 /nfs/dbraw/zinc/03/86/03/317038603.db2.gz QRGIAFURLCUYIH-QEJZJMRPSA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000570310204 317038607 /nfs/dbraw/zinc/03/86/07/317038607.db2.gz QRGIAFURLCUYIH-QEJZJMRPSA-N 1 3 344.286 3.230 10 0 EGAEHO Cc1ccc2[nH+]ccc(N3CCC[C@H](N4CCOCC4)CC3)c2c1 ZINC000572257207 317312803 /nfs/dbraw/zinc/31/28/03/317312803.db2.gz HVWUBTLWQPWKNQ-KRWDZBQOSA-N 1 3 325.456 3.234 10 0 EGAEHO CN1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)(N2CCCCC2)CC1 ZINC000581954481 325402070 /nfs/dbraw/zinc/40/20/70/325402070.db2.gz YZPRSBHFRTWVNF-UHFFFAOYSA-N 1 3 340.515 3.208 10 0 EGAEHO CN1CC[C@]2(CC[N@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429000121 458252610 /nfs/dbraw/zinc/25/26/10/458252610.db2.gz FSCKQVANJCAFMD-INIZCTEOSA-N 1 3 329.271 3.400 10 0 EGAEHO CN1CC[C@]2(CC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429000121 458252614 /nfs/dbraw/zinc/25/26/14/458252614.db2.gz FSCKQVANJCAFMD-INIZCTEOSA-N 1 3 329.271 3.400 10 0 EGAEHO CCC(C)(C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189956684 455260183 /nfs/dbraw/zinc/26/01/83/455260183.db2.gz TXRADWPSFICODE-IAGOWNOFSA-N 1 3 345.531 3.037 10 0 EGAEHO COc1ccc(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)c1OC ZINC000623532495 460599805 /nfs/dbraw/zinc/59/98/05/460599805.db2.gz VUVUKKPPDDEXCI-AWEZNQCLSA-N 1 3 340.895 3.362 10 0 EGAEHO COc1ccc(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)c(Cl)c1OC ZINC000623532495 460599812 /nfs/dbraw/zinc/59/98/12/460599812.db2.gz VUVUKKPPDDEXCI-AWEZNQCLSA-N 1 3 340.895 3.362 10 0 EGAEHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000121781727 454476012 /nfs/dbraw/zinc/47/60/12/454476012.db2.gz SHELOJNBNGHUEN-OAHLLOKOSA-N 1 3 347.503 3.426 10 0 EGAEHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000122769550 454568226 /nfs/dbraw/zinc/56/82/26/454568226.db2.gz WPARYTRIURCZSH-HNNXBMFYSA-N 1 3 347.503 3.426 10 0 EGAEHO Cc1ccc([O-])c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000093006766 454670097 /nfs/dbraw/zinc/67/00/97/454670097.db2.gz JPWWWKHCNZSRCY-UHFFFAOYSA-N 1 3 339.483 3.440 10 0 EGAEHO Cc1ccc([O-])c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000093006766 454670101 /nfs/dbraw/zinc/67/01/01/454670101.db2.gz JPWWWKHCNZSRCY-UHFFFAOYSA-N 1 3 339.483 3.440 10 0 EGAEHO COc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1 ZINC000124752340 454766761 /nfs/dbraw/zinc/76/67/61/454766761.db2.gz FBIYENSLWHQJMN-SFHVURJKSA-N 1 3 345.531 3.296 10 0 EGAEHO CCCN1CC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000151107006 454938321 /nfs/dbraw/zinc/93/83/21/454938321.db2.gz ALEJOWHYCYIPPB-FQEVSTJZSA-N 1 3 329.532 3.015 10 0 EGAEHO Cn1cc([C@H]2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000128479735 455060390 /nfs/dbraw/zinc/06/03/90/455060390.db2.gz YIEWUHCNDPJWCK-IBGZPJMESA-N 1 3 340.515 3.368 10 0 EGAEHO Cn1cc([C@H]2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000128479735 455060393 /nfs/dbraw/zinc/06/03/93/455060393.db2.gz YIEWUHCNDPJWCK-IBGZPJMESA-N 1 3 340.515 3.368 10 0 EGAEHO CCC[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000155989544 455069727 /nfs/dbraw/zinc/06/97/27/455069727.db2.gz CWVOXCSQZUGQPV-PKOBYXMFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000155989544 455069732 /nfs/dbraw/zinc/06/97/32/455069732.db2.gz CWVOXCSQZUGQPV-PKOBYXMFSA-N 1 3 337.552 3.220 10 0 EGAEHO CN(CCCc1nc(-c2cccs2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152503610 455128520 /nfs/dbraw/zinc/12/85/20/455128520.db2.gz LJKNLYRNJVYICM-CQSZACIVSA-N 1 3 334.489 3.004 10 0 EGAEHO CN(CCCc1nc(-c2cccs2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152503610 455128522 /nfs/dbraw/zinc/12/85/22/455128522.db2.gz LJKNLYRNJVYICM-CQSZACIVSA-N 1 3 334.489 3.004 10 0 EGAEHO C[C@@H](Cc1ccccc1)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182035421 455421031 /nfs/dbraw/zinc/42/10/31/455421031.db2.gz AABXUNXETWZRNG-PCCBWWKXSA-N 1 3 343.559 3.356 10 0 EGAEHO C[C@@H](Cc1ccccc1)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182035421 455421035 /nfs/dbraw/zinc/42/10/35/455421035.db2.gz AABXUNXETWZRNG-PCCBWWKXSA-N 1 3 343.559 3.356 10 0 EGAEHO Cc1ccc(C[C@@H](C)[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192744383 455683998 /nfs/dbraw/zinc/68/39/98/455683998.db2.gz RCRXUVXDDSYEKQ-HXUWFJFHSA-N 1 3 331.548 3.274 10 0 EGAEHO Cc1ccc(C[C@@H](C)[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000192744383 455684002 /nfs/dbraw/zinc/68/40/02/455684002.db2.gz RCRXUVXDDSYEKQ-HXUWFJFHSA-N 1 3 331.548 3.274 10 0 EGAEHO CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000252585994 455822311 /nfs/dbraw/zinc/82/23/11/455822311.db2.gz MRKYPWVXNCMYRV-NHCUHLMSSA-N 1 3 348.531 3.149 10 0 EGAEHO CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000252585994 455822317 /nfs/dbraw/zinc/82/23/17/455822317.db2.gz MRKYPWVXNCMYRV-NHCUHLMSSA-N 1 3 348.531 3.149 10 0 EGAEHO CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261917021 455971820 /nfs/dbraw/zinc/97/18/20/455971820.db2.gz XDTRXKMAYAWHDC-NLWGTHIKSA-N 1 3 343.515 3.060 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000188129769 456004164 /nfs/dbraw/zinc/00/41/64/456004164.db2.gz QBBJLDWBEZKANO-ZFWWWQNUSA-N 1 3 325.294 3.312 10 0 EGAEHO CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000617008853 460706755 /nfs/dbraw/zinc/70/67/55/460706755.db2.gz NKRMKVLPISKQKA-IBGZPJMESA-N 1 3 343.515 3.275 10 0 EGAEHO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272604444 456010187 /nfs/dbraw/zinc/01/01/87/456010187.db2.gz YYNFKTXHDKNCON-NYVOZVTQSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604444 456010194 /nfs/dbraw/zinc/01/01/94/456010194.db2.gz YYNFKTXHDKNCON-NYVOZVTQSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272604444 456010200 /nfs/dbraw/zinc/01/02/00/456010200.db2.gz YYNFKTXHDKNCON-NYVOZVTQSA-N 1 3 338.495 3.090 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)[C@@H](C)CC)CC1 ZINC000236783767 456184057 /nfs/dbraw/zinc/18/40/57/456184057.db2.gz AEYBAYWNRROVCP-RXVVDRJESA-N 1 3 347.547 3.105 10 0 EGAEHO CC(C)[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994230 456209725 /nfs/dbraw/zinc/20/97/25/456209725.db2.gz CLAXZIXRKJBXJZ-AEFFLSMTSA-N 1 3 337.533 3.032 10 0 EGAEHO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000352823513 456339470 /nfs/dbraw/zinc/33/94/70/456339470.db2.gz NPSWDTIJGVPFDC-UYAOXDASSA-N 1 3 342.531 3.176 10 0 EGAEHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)cc2)CC1 ZINC000337412094 456351784 /nfs/dbraw/zinc/35/17/84/456351784.db2.gz XIPLUNWIEQSWDX-PWRODBHTSA-N 1 3 327.516 3.102 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CCN1C ZINC000658320038 462477196 /nfs/dbraw/zinc/47/71/96/462477196.db2.gz MLZCUWRJMQQBQT-HLAWJBBLSA-N 1 3 341.543 3.361 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000343449297 456629060 /nfs/dbraw/zinc/62/90/60/456629060.db2.gz WARBPICCHZBRAC-RXVVDRJESA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000343449297 456629065 /nfs/dbraw/zinc/62/90/65/456629065.db2.gz WARBPICCHZBRAC-RXVVDRJESA-N 1 3 345.531 3.075 10 0 EGAEHO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000342709490 457471487 /nfs/dbraw/zinc/47/14/87/457471487.db2.gz MLIOJYJEDQSZRM-MRXNPFEDSA-N 1 3 333.520 3.282 10 0 EGAEHO COC(=O)c1ccccc1-c1ccc(CNCCCC[NH+](C)C)o1 ZINC000360981939 457488702 /nfs/dbraw/zinc/48/87/02/457488702.db2.gz PIVJRAAXSKJLDK-UHFFFAOYSA-N 1 3 330.428 3.165 10 0 EGAEHO c1nc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503579 /nfs/dbraw/zinc/50/35/79/457503579.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 1 3 330.520 3.275 10 0 EGAEHO c1nc([C@@H]2CCC[N@@H+](CCCN3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503590 /nfs/dbraw/zinc/50/35/90/457503590.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 1 3 330.520 3.275 10 0 EGAEHO c1nc([C@@H]2CCC[N@H+](CCCN3CCCCC3)C2)n2c1CCCC2 ZINC000370016215 457503597 /nfs/dbraw/zinc/50/35/97/457503597.db2.gz AQJCGJUIZZXUID-GOSISDBHSA-N 1 3 330.520 3.275 10 0 EGAEHO C[C@H]1CCCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000358378130 457964322 /nfs/dbraw/zinc/96/43/22/457964322.db2.gz BQZNABWLPMMHKI-SFHVURJKSA-N 1 3 343.515 3.163 10 0 EGAEHO C[C@@H]1CCC[N@H+](CCCCNCc2ccnn2-c2ccccc2)C1 ZINC000447935639 458368417 /nfs/dbraw/zinc/36/84/17/458368417.db2.gz IMJUPHOAZZQSFL-GOSISDBHSA-N 1 3 326.488 3.474 10 0 EGAEHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccnn2-c2ccccc2)C1 ZINC000447935639 458368419 /nfs/dbraw/zinc/36/84/19/458368419.db2.gz IMJUPHOAZZQSFL-GOSISDBHSA-N 1 3 326.488 3.474 10 0 EGAEHO CC[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475024677 458912456 /nfs/dbraw/zinc/91/24/56/458912456.db2.gz TYBFHQBBRYQKGT-RBUKOAKNSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[C@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475024677 458912459 /nfs/dbraw/zinc/91/24/59/458912459.db2.gz TYBFHQBBRYQKGT-RBUKOAKNSA-N 1 3 331.504 3.060 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C3CC3)CC2)CC1 ZINC000533563290 459254311 /nfs/dbraw/zinc/25/43/11/459254311.db2.gz SNWUMFKWEWOLKA-UHFFFAOYSA-N 1 3 327.516 3.498 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCCN(C)C2)CC1 ZINC000569434402 459449090 /nfs/dbraw/zinc/44/90/90/459449090.db2.gz JXRGTZDPTKHMSZ-ICSRJNTNSA-N 1 3 329.532 3.013 10 0 EGAEHO C[C@H]([NH3+])C[C@H](C)NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350939 459716929 /nfs/dbraw/zinc/71/69/29/459716929.db2.gz JFGYGRVPOGSWIF-GJZGRUSLSA-N 1 3 327.476 3.276 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCC2 ZINC000599069213 460151187 /nfs/dbraw/zinc/15/11/87/460151187.db2.gz DCJLWHMTIIHNQO-HNAYVOBHSA-N 1 3 330.472 3.172 10 0 EGAEHO NC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CCOCC1 ZINC000629521109 460792181 /nfs/dbraw/zinc/79/21/81/460792181.db2.gz LOQZTAFXCHGGMA-HNNXBMFYSA-N 1 3 343.496 3.285 10 0 EGAEHO COc1ccc([C@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1F ZINC000629588457 460817522 /nfs/dbraw/zinc/81/75/22/460817522.db2.gz HXHDKMUQZXKWDO-SFHVURJKSA-N 1 3 340.442 3.470 10 0 EGAEHO COc1ccc(-c2ccccc2C)cc1CNCCOCCC[NH3+] ZINC000629681639 460865051 /nfs/dbraw/zinc/86/50/51/460865051.db2.gz SEHFZMSULMLKKI-UHFFFAOYSA-N 1 3 328.456 3.126 10 0 EGAEHO Fc1ccccc1CC[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662251326 461144682 /nfs/dbraw/zinc/14/46/82/461144682.db2.gz CUYOQNXATVSOJW-SFHVURJKSA-N 1 3 332.463 3.134 10 0 EGAEHO Fc1ccccc1CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662251326 461144689 /nfs/dbraw/zinc/14/46/89/461144689.db2.gz CUYOQNXATVSOJW-SFHVURJKSA-N 1 3 332.463 3.134 10 0 EGAEHO c1ccc(C[C@H]2c3ccccc3CC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662279512 461164010 /nfs/dbraw/zinc/16/40/10/461164010.db2.gz KUANLRCBOXZTHJ-IRLDBZIGSA-N 1 3 348.490 3.350 10 0 EGAEHO c1ccc(C[C@H]2c3ccccc3CC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662279512 461164013 /nfs/dbraw/zinc/16/40/13/461164013.db2.gz KUANLRCBOXZTHJ-IRLDBZIGSA-N 1 3 348.490 3.350 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662450774 461247868 /nfs/dbraw/zinc/24/78/68/461247868.db2.gz VXWRETXNUBLCRY-MDZRGWNJSA-N 1 3 343.515 3.058 10 0 EGAEHO C[C@H](COc1c(F)cccc1F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668533448 461319135 /nfs/dbraw/zinc/31/91/35/461319135.db2.gz JYSVNTFCZHVBMU-CQSZACIVSA-N 1 3 347.409 3.386 10 0 EGAEHO CC[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000630862812 461374938 /nfs/dbraw/zinc/37/49/38/461374938.db2.gz MVIXIQKSQHKPRA-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CCc3ccccc3[C@@H](C)C2)CC1 ZINC000649835442 461391722 /nfs/dbraw/zinc/39/17/22/461391722.db2.gz JEPSIBVDHHRKKC-IBGZPJMESA-N 1 3 329.532 3.064 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CCc3ccccc3[C@@H](C)C2)CC1 ZINC000649835442 461391729 /nfs/dbraw/zinc/39/17/29/461391729.db2.gz JEPSIBVDHHRKKC-IBGZPJMESA-N 1 3 329.532 3.064 10 0 EGAEHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc(C(F)F)nc2)cc1 ZINC000631066477 461517378 /nfs/dbraw/zinc/51/73/78/461517378.db2.gz ZXCWHGARVISABG-UHFFFAOYSA-N 1 3 349.425 3.292 10 0 EGAEHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2CC(F)(F)F)CC1 ZINC000631089840 461539227 /nfs/dbraw/zinc/53/92/27/461539227.db2.gz FAKKZNPSYDIICE-UHFFFAOYSA-N 1 3 344.421 3.116 10 0 EGAEHO Cn1cnc2cc(CNC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000647249356 461587437 /nfs/dbraw/zinc/58/74/37/461587437.db2.gz VCAQJNZCUNNKMO-MOPGFXCFSA-N 1 3 334.467 3.008 10 0 EGAEHO Cn1cnc2cc(CNC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000647249356 461587441 /nfs/dbraw/zinc/58/74/41/461587441.db2.gz VCAQJNZCUNNKMO-MOPGFXCFSA-N 1 3 334.467 3.008 10 0 EGAEHO Cn1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c(C(C)(C)C)n1 ZINC000647249224 461590169 /nfs/dbraw/zinc/59/01/69/461590169.db2.gz KTCMAGKHJXNEST-MJGOQNOKSA-N 1 3 340.515 3.153 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000631195124 461634473 /nfs/dbraw/zinc/63/44/73/461634473.db2.gz TTZRGJLGQFXWAO-RLLQIKCJSA-N 1 3 329.532 3.217 10 0 EGAEHO CN1CC[C@]2(C1)CCC[N@H+](CCCc1nc(-c3cccs3)no1)C2 ZINC000660655223 461905000 /nfs/dbraw/zinc/90/50/00/461905000.db2.gz KPBASKHWBVBJTJ-SFHVURJKSA-N 1 3 346.500 3.148 10 0 EGAEHO CN1CC[C@]2(C1)CCC[N@@H+](CCCc1nc(-c3cccs3)no1)C2 ZINC000660655223 461905006 /nfs/dbraw/zinc/90/50/06/461905006.db2.gz KPBASKHWBVBJTJ-SFHVURJKSA-N 1 3 346.500 3.148 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(C)cc1-c1ccnn1C ZINC000650720319 461913368 /nfs/dbraw/zinc/91/33/68/461913368.db2.gz LJLXMVBNIVUIFE-UHFFFAOYSA-N 1 3 334.467 3.405 10 0 EGAEHO Cn1ncc(C(F)(F)F)c1CNCCCCC[NH+]1CCCCC1 ZINC000657359095 462070546 /nfs/dbraw/zinc/07/05/46/462070546.db2.gz SCGXTLPPJPZNMC-UHFFFAOYSA-N 1 3 332.414 3.185 10 0 EGAEHO C[C@H](CCNCc1ccnn1-c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000657384031 462086809 /nfs/dbraw/zinc/08/68/09/462086809.db2.gz QSIJTYRGVJJZLT-GOSISDBHSA-N 1 3 349.482 3.268 10 0 EGAEHO C[C@H](CCNCc1ccnn1-c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000657384031 462086824 /nfs/dbraw/zinc/08/68/24/462086824.db2.gz QSIJTYRGVJJZLT-GOSISDBHSA-N 1 3 349.482 3.268 10 0 EGAEHO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657597685 462199910 /nfs/dbraw/zinc/19/99/10/462199910.db2.gz WLGZZXYWYWNLBT-KKSFZXQISA-N 1 3 342.458 3.113 10 0 EGAEHO Cc1cc(Cl)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665133380 462321182 /nfs/dbraw/zinc/32/11/82/462321182.db2.gz DFPJRAFTHDGUJA-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO Cc1cc(Cl)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665133380 462321188 /nfs/dbraw/zinc/32/11/88/462321188.db2.gz DFPJRAFTHDGUJA-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO CN1CCN(Cc2ccccc2-c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000665191007 462348066 /nfs/dbraw/zinc/34/80/66/462348066.db2.gz ZOLVEWCKRMJIRA-UHFFFAOYSA-N 1 3 337.511 3.205 10 0 EGAEHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nsc2ccccc12 ZINC000665275212 462380341 /nfs/dbraw/zinc/38/03/41/462380341.db2.gz FKHRNKJQAXZHHP-KBXCAEBGSA-N 1 3 325.481 3.387 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)cc2)C1 ZINC000658135660 462398958 /nfs/dbraw/zinc/39/89/58/462398958.db2.gz AGKZVUHYXYFIII-PWRODBHTSA-N 1 3 328.500 3.312 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138790 462401940 /nfs/dbraw/zinc/40/19/40/462401940.db2.gz OFASBYYHRNACEZ-RTWAWAEBSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138790 462401946 /nfs/dbraw/zinc/40/19/46/462401946.db2.gz OFASBYYHRNACEZ-RTWAWAEBSA-N 1 3 339.483 3.135 10 0 EGAEHO Cc1cc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140642 462403282 /nfs/dbraw/zinc/40/32/82/462403282.db2.gz VSMZLMBCIPXBDS-DNVCBOLYSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1cc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140642 462403287 /nfs/dbraw/zinc/40/32/87/462403287.db2.gz VSMZLMBCIPXBDS-DNVCBOLYSA-N 1 3 330.497 3.474 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCO[C@@H]2CC2(F)F)CC1 ZINC000658169598 462418581 /nfs/dbraw/zinc/41/85/81/462418581.db2.gz HJMNJBOXIMAUOM-CRAIPNDOSA-N 1 3 338.442 3.096 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192785070 529042683 /nfs/dbraw/zinc/04/26/83/529042683.db2.gz LNSBDXINGKFSCM-HNNXBMFYSA-N 1 3 325.447 3.032 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCCCO)CC1 ZINC000093694651 546686097 /nfs/dbraw/zinc/68/60/97/546686097.db2.gz XTQCOJHMCBEIMD-UHFFFAOYSA-N 1 3 348.531 3.008 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCCCO)CC1 ZINC000093694651 546686101 /nfs/dbraw/zinc/68/61/01/546686101.db2.gz XTQCOJHMCBEIMD-UHFFFAOYSA-N 1 3 348.531 3.008 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000671744379 548351132 /nfs/dbraw/zinc/35/11/32/548351132.db2.gz BGRUSAHBBNQZLR-CMOCDZPBSA-N 1 3 341.543 3.361 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000671746448 548351281 /nfs/dbraw/zinc/35/12/81/548351281.db2.gz MRQPIXIVFPZOBQ-FZCLSBEQSA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000671746448 548351283 /nfs/dbraw/zinc/35/12/83/548351283.db2.gz MRQPIXIVFPZOBQ-FZCLSBEQSA-N 1 3 335.442 3.006 10 0 EGAEHO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@H]3CCC[C@@H]31)CCO2 ZINC000671761234 548355335 /nfs/dbraw/zinc/35/53/35/548355335.db2.gz XIKGRDSYHMVDMY-OWYHZJEWSA-N 1 3 330.472 3.371 10 0 EGAEHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1CN1CCCCC1 ZINC000183295177 1295109853 /nfs/dbraw/zinc/10/98/53/1295109853.db2.gz BGRRRQYCDKIACZ-SNRMKQJTSA-N 1 3 332.488 3.245 10 0 EGAEHO CN(C)C1CC[NH+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000876597362 1298856849 /nfs/dbraw/zinc/85/68/49/1298856849.db2.gz XDJXOADIIWMVGJ-MRXNPFEDSA-N 1 3 339.524 3.050 10 0 EGAEHO C[C@@H]1CCOCCN1C[C@@H](C[N@@H+]1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373489 1299953596 /nfs/dbraw/zinc/95/35/96/1299953596.db2.gz MMAZKFHSHGDEMV-RUYXUALKSA-N 1 3 338.536 3.014 10 0 EGAEHO C[C@@H]1CCOCCN1C[C@@H](C[N@H+]1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373489 1299953600 /nfs/dbraw/zinc/95/36/00/1299953600.db2.gz MMAZKFHSHGDEMV-RUYXUALKSA-N 1 3 338.536 3.014 10 0 EGAEHO C[C@@H]1CCOCC[N@H+]1C[C@@H](CN1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373489 1299953602 /nfs/dbraw/zinc/95/36/02/1299953602.db2.gz MMAZKFHSHGDEMV-RUYXUALKSA-N 1 3 338.536 3.014 10 0 EGAEHO C[C@@H]1CCOCC[N@@H+]1C[C@@H](CN1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373489 1299953606 /nfs/dbraw/zinc/95/36/06/1299953606.db2.gz MMAZKFHSHGDEMV-RUYXUALKSA-N 1 3 338.536 3.014 10 0 EGAEHO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H](O)C(C)C ZINC000886627320 1303530923 /nfs/dbraw/zinc/53/09/23/1303530923.db2.gz YYWYYLHOBRENFK-HGJUEJDCSA-N 1 3 330.516 3.425 10 0 EGAEHO COC(=O)c1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH]c1C(C)C ZINC000894780108 1309066758 /nfs/dbraw/zinc/06/67/58/1309066758.db2.gz XAMJYSFOLNZMPG-MRXNPFEDSA-N 1 3 347.503 3.088 10 0 EGAEHO COCC[N@H+](C)CCCC1CCN([C@H](C)c2ccc(F)nc2)CC1 ZINC000930144407 1328797928 /nfs/dbraw/zinc/79/79/28/1328797928.db2.gz DONQQIIHRIWGTB-MRXNPFEDSA-N 1 3 337.483 3.352 10 0 EGAEHO COCC[N@@H+](C)CCCC1CCN([C@H](C)c2ccc(F)nc2)CC1 ZINC000930144407 1328797931 /nfs/dbraw/zinc/79/79/31/1328797931.db2.gz DONQQIIHRIWGTB-MRXNPFEDSA-N 1 3 337.483 3.352 10 0 EGAEHO Brc1c[nH]c(CNCCCCCCC[NH+]2CCCC2)n1 ZINC000921686120 1322378024 /nfs/dbraw/zinc/37/80/24/1322378024.db2.gz GBBZIRRPZIAOFK-UHFFFAOYSA-N 1 3 343.313 3.308 10 0 EGAEHO FC(F)(F)c1ccccc1CN(C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923303942 1322729880 /nfs/dbraw/zinc/72/98/80/1322729880.db2.gz MYCQUGRUAHCADN-HNNXBMFYSA-N 1 3 340.389 3.048 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCN2CCC(C)CC2)n(C)n1 ZINC000924580947 1323061889 /nfs/dbraw/zinc/06/18/89/1323061889.db2.gz ZSQQMDYPDLZIDZ-AZUAARDMSA-N 1 3 332.536 3.151 10 0 EGAEHO C[C@H]1CN(C2CC(OCc3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000931684469 1329164296 /nfs/dbraw/zinc/16/42/96/1329164296.db2.gz SQVGWNXXQFFIAW-RPCJCACASA-N 1 3 337.467 3.340 10 0 EGAEHO COc1ccc(OC)c(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925504687 1325182485 /nfs/dbraw/zinc/18/24/85/1325182485.db2.gz LRWCPMNCCUGGSN-RTBURBONSA-N 1 3 332.488 3.004 10 0 EGAEHO COc1cccc([C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)N2CCCC2)c1 ZINC000925507271 1325183489 /nfs/dbraw/zinc/18/34/89/1325183489.db2.gz VMCQLHOUVUPDCH-NSHGMRRFSA-N 1 3 345.531 3.328 10 0 EGAEHO CC[C@@H]1Oc2cc([C@H](C)N[C@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529104 1325192197 /nfs/dbraw/zinc/19/21/97/1325192197.db2.gz YWFRTNLYTQDWRZ-GUSZCTEKSA-N 1 3 345.487 3.353 10 0 EGAEHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529101 1325192520 /nfs/dbraw/zinc/19/25/20/1325192520.db2.gz YWFRTNLYTQDWRZ-CRNXPOROSA-N 1 3 345.487 3.353 10 0 EGAEHO COc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536324 1325196848 /nfs/dbraw/zinc/19/68/48/1325196848.db2.gz CZLGGIGIKACACM-STQMWFEESA-N 1 3 328.403 3.292 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000925639831 1325243490 /nfs/dbraw/zinc/24/34/90/1325243490.db2.gz NMUCVVGQEGDVKV-DXWXDBEXSA-N 1 3 328.500 3.183 10 0 EGAEHO O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730155 1325273902 /nfs/dbraw/zinc/27/39/02/1325273902.db2.gz OAACLHQJERWJTQ-GBESFXJTSA-N 1 3 336.907 3.001 10 0 EGAEHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cc(N)ccn2)ccc1OC ZINC000925772584 1325293791 /nfs/dbraw/zinc/29/37/91/1325293791.db2.gz USJYBIKCXSIFGB-OAHLLOKOSA-N 1 3 342.487 3.365 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(OC(F)(F)F)c1 ZINC000925785704 1325300088 /nfs/dbraw/zinc/30/00/88/1325300088.db2.gz VFNZIWNJWJQRBU-PWSUYJOCSA-N 1 3 338.320 3.481 10 0 EGAEHO FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)O1 ZINC000925828939 1325319370 /nfs/dbraw/zinc/31/93/70/1325319370.db2.gz KMMYLGVETRJKNI-QXSJWSMHSA-N 1 3 334.426 3.244 10 0 EGAEHO FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)O1 ZINC000925828938 1325320528 /nfs/dbraw/zinc/32/05/28/1325320528.db2.gz KMMYLGVETRJKNI-FPCVCCKLSA-N 1 3 334.426 3.244 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843934 1325325822 /nfs/dbraw/zinc/32/58/22/1325325822.db2.gz UWSRGDZEBAPEBV-LSBZLQRGSA-N 1 3 349.906 3.487 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925881561 1325340583 /nfs/dbraw/zinc/34/05/83/1325340583.db2.gz UHPCQVANBNXYDV-JLTOFOAXSA-N 1 3 325.456 3.203 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)ccn1 ZINC000926692696 1327669778 /nfs/dbraw/zinc/66/97/78/1327669778.db2.gz IWDDMSNAQZHKMT-NHCUHLMSSA-N 1 3 343.515 3.088 10 0 EGAEHO CC[NH+](CC)Cc1ccccc1CNCc1cnc2c(cnn2C)c1 ZINC000865405106 1329692294 /nfs/dbraw/zinc/69/22/94/1329692294.db2.gz SIGJVZZEFHVWCZ-UHFFFAOYSA-N 1 3 337.471 3.100 10 0 EGAEHO C[NH+](C)C1(C)CCC(NCc2ncc(Br)cc2F)CC1 ZINC000865764488 1329736321 /nfs/dbraw/zinc/73/63/21/1329736321.db2.gz BVFWWNTWBHJRMV-UHFFFAOYSA-N 1 3 344.272 3.336 10 0 EGAEHO Cc1cc(C)c(NC(=O)CCCN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)c1 ZINC000933736597 1329918081 /nfs/dbraw/zinc/91/80/81/1329918081.db2.gz YAOGKWDKMCQPAH-NQIIRXRSSA-N 1 3 343.515 3.214 10 0 EGAEHO Cc1cc(C)c(NC(=O)CCCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(C)c1 ZINC000933736597 1329918082 /nfs/dbraw/zinc/91/80/82/1329918082.db2.gz YAOGKWDKMCQPAH-NQIIRXRSSA-N 1 3 343.515 3.214 10 0 EGAEHO CC[NH+](CC)CCOCCN[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866338037 1330098441 /nfs/dbraw/zinc/09/84/41/1330098441.db2.gz NPYFOSFUWAVLDI-CYBMUJFWSA-N 1 3 339.867 3.490 10 0 EGAEHO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866707071 1330143587 /nfs/dbraw/zinc/14/35/87/1330143587.db2.gz LOUIYGCVWAIMRS-FQEVSTJZSA-N 1 3 347.503 3.111 10 0 EGAEHO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866707071 1330143588 /nfs/dbraw/zinc/14/35/88/1330143588.db2.gz LOUIYGCVWAIMRS-FQEVSTJZSA-N 1 3 347.503 3.111 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645079 1387416416 /nfs/dbraw/zinc/41/64/16/1387416416.db2.gz XLNGBKOEGRAIAJ-HECAZONMSA-N 1 3 344.503 3.012 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645079 1387416418 /nfs/dbraw/zinc/41/64/18/1387416418.db2.gz XLNGBKOEGRAIAJ-HECAZONMSA-N 1 3 344.503 3.012 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001323637842 1387414038 /nfs/dbraw/zinc/41/40/38/1387414038.db2.gz NHPKTKUVBXHARB-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001323637842 1387414039 /nfs/dbraw/zinc/41/40/39/1387414039.db2.gz NHPKTKUVBXHARB-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)c1 ZINC001324273698 1387577448 /nfs/dbraw/zinc/57/74/48/1387577448.db2.gz ODWQOOZKXKANLV-LJQANCHMSA-N 1 3 345.531 3.379 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC001190347532 1367234688 /nfs/dbraw/zinc/23/46/88/1367234688.db2.gz CVMPBHBONCKARL-UHFFFAOYSA-N 1 3 332.488 3.335 10 0 EGAEHO CC[NH+](CC)CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001195146450 1368388217 /nfs/dbraw/zinc/38/82/17/1368388217.db2.gz DVSULIISEKEJSY-HNNXBMFYSA-N 1 3 327.513 3.096 10 0 EGAEHO COCCN(Cc1cc(Cl)ccc1OC)CC1CC[NH+](C)CC1 ZINC001196781814 1368683482 /nfs/dbraw/zinc/68/34/82/1368683482.db2.gz JIBUSKZDCZRFBO-UHFFFAOYSA-N 1 3 340.895 3.139 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707991 1377163363 /nfs/dbraw/zinc/16/33/63/1377163363.db2.gz IEFNDHQLXVKDAJ-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707991 1377163365 /nfs/dbraw/zinc/16/33/65/1377163365.db2.gz IEFNDHQLXVKDAJ-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001266502127 1377323428 /nfs/dbraw/zinc/32/34/28/1377323428.db2.gz WZSMNMASXTWXOR-XLDNSSHCSA-N 1 3 347.547 3.284 10 0 EGAEHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526464 1377327350 /nfs/dbraw/zinc/32/73/50/1377327350.db2.gz VNYLDIRTKQFNHQ-ZWKOTPCHSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526464 1377327351 /nfs/dbraw/zinc/32/73/51/1377327351.db2.gz VNYLDIRTKQFNHQ-ZWKOTPCHSA-N 1 3 343.515 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001267570524 1377460267 /nfs/dbraw/zinc/46/02/67/1377460267.db2.gz BPGYTWQBBIHYRT-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267570524 1377460269 /nfs/dbraw/zinc/46/02/69/1377460269.db2.gz BPGYTWQBBIHYRT-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001269571065 1377559102 /nfs/dbraw/zinc/55/91/02/1377559102.db2.gz VJVVMISXSRXTPF-XVLXNVKGSA-N 1 3 335.536 3.019 10 0 EGAEHO Cc1cc(CNC/C=C\CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413814 1378124403 /nfs/dbraw/zinc/12/44/03/1378124403.db2.gz ORXGEMUXQBUGAZ-OSJSJHBBSA-N 1 3 349.544 3.083 10 0 EGAEHO CCC1([NH2+]CCC(C)C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001327488823 1388533964 /nfs/dbraw/zinc/53/39/64/1388533964.db2.gz RJHZNSZTSYIUKT-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC001277364062 1378220052 /nfs/dbraw/zinc/22/00/52/1378220052.db2.gz YTWSBZDPPANWMN-BEFAXECRSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C(C)(C)C ZINC001278979359 1378294989 /nfs/dbraw/zinc/29/49/89/1378294989.db2.gz ZALHALICOVGUAN-MSOLQXFVSA-N 1 3 339.568 3.273 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001327542603 1388556395 /nfs/dbraw/zinc/55/63/95/1388556395.db2.gz XQCSKKATMMIBSH-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001327542603 1388556397 /nfs/dbraw/zinc/55/63/97/1388556397.db2.gz XQCSKKATMMIBSH-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478803 1378510733 /nfs/dbraw/zinc/51/07/33/1378510733.db2.gz UKDUHMHJBLSRFU-WMLDXEAASA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478803 1378510737 /nfs/dbraw/zinc/51/07/37/1378510737.db2.gz UKDUHMHJBLSRFU-WMLDXEAASA-N 1 3 347.528 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001327539488 1388554926 /nfs/dbraw/zinc/55/49/26/1388554926.db2.gz ASMBSTQKKMBGDO-NRFANRHFSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001327539488 1388554929 /nfs/dbraw/zinc/55/49/29/1388554929.db2.gz ASMBSTQKKMBGDO-NRFANRHFSA-N 1 3 347.547 3.142 10 0 EGAEHO C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001283187009 1378756239 /nfs/dbraw/zinc/75/62/39/1378756239.db2.gz RXATTWSOEREYNC-DLBZAZTESA-N 1 3 331.504 3.106 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250379 1379633429 /nfs/dbraw/zinc/63/34/29/1379633429.db2.gz ZUTIVFOGZCWTNM-PXNSSMCTSA-N 1 3 343.515 3.036 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597605 1379998702 /nfs/dbraw/zinc/99/87/02/1379998702.db2.gz IVQQYDUVDKOFPH-RTBURBONSA-N 1 3 349.563 3.482 10 0 EGAEHO CCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001284967764 1380332004 /nfs/dbraw/zinc/33/20/04/1380332004.db2.gz SHAQLYBHAYEBDQ-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001284967764 1380332007 /nfs/dbraw/zinc/33/20/07/1380332007.db2.gz SHAQLYBHAYEBDQ-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001328459131 1388750854 /nfs/dbraw/zinc/75/08/54/1388750854.db2.gz MRDWJSPWNROLAY-AZUAARDMSA-N 1 3 345.531 3.162 10 0 EGAEHO CN(C)C1(C(=O)N2CCCCC[C@@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001316773987 1384572583 /nfs/dbraw/zinc/57/25/83/1384572583.db2.gz RWAIHOLXZMQWFW-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001316850711 1384639165 /nfs/dbraw/zinc/63/91/65/1384639165.db2.gz IDBPEIDHEJDPAO-IEBWSBKVSA-N 1 3 345.531 3.144 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001316850711 1384639170 /nfs/dbraw/zinc/63/91/70/1384639170.db2.gz IDBPEIDHEJDPAO-IEBWSBKVSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001316936121 1384708104 /nfs/dbraw/zinc/70/81/04/1384708104.db2.gz WTZGPAGRRMBGFP-IBGZPJMESA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001316937446 1384709017 /nfs/dbraw/zinc/70/90/17/1384709017.db2.gz OCHNKMKUPAHWAN-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC/C=C/CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001316986670 1384743057 /nfs/dbraw/zinc/74/30/57/1384743057.db2.gz ROQHXEGGRGGDPS-ABQVSZSXSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C/CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001316986670 1384743067 /nfs/dbraw/zinc/74/30/67/1384743067.db2.gz ROQHXEGGRGGDPS-ABQVSZSXSA-N 1 3 347.547 3.330 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001329041236 1388942091 /nfs/dbraw/zinc/94/20/91/1388942091.db2.gz ZPSZRPSPZRHHDC-CVEARBPZSA-N 1 3 349.494 3.073 10 0 EGAEHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001317043290 1384817143 /nfs/dbraw/zinc/81/71/43/1384817143.db2.gz JJHUKIUCYQMTQW-HXUWFJFHSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001317043290 1384817148 /nfs/dbraw/zinc/81/71/48/1384817148.db2.gz JJHUKIUCYQMTQW-HXUWFJFHSA-N 1 3 345.531 3.006 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC001317271472 1385041983 /nfs/dbraw/zinc/04/19/83/1385041983.db2.gz NKPDIZZGINWCJH-MSOLQXFVSA-N 1 3 345.531 3.108 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC1CCCC1 ZINC001317272532 1385043112 /nfs/dbraw/zinc/04/31/12/1385043112.db2.gz ULRVIDAOTNIPDA-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001317430958 1385135577 /nfs/dbraw/zinc/13/55/77/1385135577.db2.gz CSHGOUMTTWBQBG-RTBURBONSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001317430958 1385135579 /nfs/dbraw/zinc/13/55/79/1385135579.db2.gz CSHGOUMTTWBQBG-RTBURBONSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001317438313 1385140418 /nfs/dbraw/zinc/14/04/18/1385140418.db2.gz YCIPUFZRYFYTDL-QUCCMNQESA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001317438313 1385140419 /nfs/dbraw/zinc/14/04/19/1385140419.db2.gz YCIPUFZRYFYTDL-QUCCMNQESA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001317513244 1385226588 /nfs/dbraw/zinc/22/65/88/1385226588.db2.gz IZETXKSOJPKAPQ-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001317513244 1385226590 /nfs/dbraw/zinc/22/65/90/1385226590.db2.gz IZETXKSOJPKAPQ-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](F)CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001318670674 1385829300 /nfs/dbraw/zinc/82/93/00/1385829300.db2.gz LGSVLSLSOVKGQP-MRXNPFEDSA-N 1 3 349.494 3.129 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001318859710 1385863380 /nfs/dbraw/zinc/86/33/80/1385863380.db2.gz JASXCDZCPWHSEG-RTBURBONSA-N 1 3 345.531 3.306 10 0 EGAEHO CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001318938059 1385888563 /nfs/dbraw/zinc/88/85/63/1385888563.db2.gz RRXNDUJKJNSBRB-KKHYBRAUSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001319271262 1386034640 /nfs/dbraw/zinc/03/46/40/1386034640.db2.gz YQHDSSOFQYRTEV-RHSMWYFYSA-N 1 3 347.528 3.083 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001319868574 1386346098 /nfs/dbraw/zinc/34/60/98/1386346098.db2.gz LPHSCHOMBLQPGW-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001320114424 1386522202 /nfs/dbraw/zinc/52/22/02/1386522202.db2.gz LBFSYUHVGTUQFD-MSOLQXFVSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001320114424 1386522207 /nfs/dbraw/zinc/52/22/07/1386522207.db2.gz LBFSYUHVGTUQFD-MSOLQXFVSA-N 1 3 337.552 3.076 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(CC[NH2+]CCCC3CCC3)CC2)C1 ZINC001698703539 1406345324 /nfs/dbraw/zinc/34/53/24/1406345324.db2.gz MQMYYWKZKSCPKC-SFHVURJKSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001329202967 1389020718 /nfs/dbraw/zinc/02/07/18/1389020718.db2.gz PIPLKXAEZQSVAM-IAGOWNOFSA-N 1 3 345.531 3.425 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001698719186 1406363965 /nfs/dbraw/zinc/36/39/65/1406363965.db2.gz INHURDFWOOWTIS-IAGOWNOFSA-N 1 3 343.515 3.065 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001698735792 1406386469 /nfs/dbraw/zinc/38/64/69/1406386469.db2.gz OOZLSKYBFIPGFH-VOFKWLDRSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001698735792 1406386474 /nfs/dbraw/zinc/38/64/74/1406386474.db2.gz OOZLSKYBFIPGFH-VOFKWLDRSA-N 1 3 347.547 3.142 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113808 1389991105 /nfs/dbraw/zinc/99/11/05/1389991105.db2.gz UDLKKZXABQGOOR-QWFCFKBJSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113808 1389991110 /nfs/dbraw/zinc/99/11/10/1389991110.db2.gz UDLKKZXABQGOOR-QWFCFKBJSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCN1CCCC[C@@H]1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001339443100 1390031058 /nfs/dbraw/zinc/03/10/58/1390031058.db2.gz ACJXKXCXJIIMNP-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386946 1390103207 /nfs/dbraw/zinc/10/32/07/1390103207.db2.gz IBNPTEDFYOWFHM-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001479693833 1392325087 /nfs/dbraw/zinc/32/50/87/1392325087.db2.gz GFGOPBDSQCMDDJ-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729878 1392341844 /nfs/dbraw/zinc/34/18/44/1392341844.db2.gz MPKVFAPTHKNAAU-QRTFGMIHSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729878 1392341846 /nfs/dbraw/zinc/34/18/46/1392341846.db2.gz MPKVFAPTHKNAAU-QRTFGMIHSA-N 1 3 335.536 3.042 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C)cc1C ZINC001479815690 1392408639 /nfs/dbraw/zinc/40/86/39/1392408639.db2.gz LGZQVRCRXWBIQR-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C)cc1C ZINC001479815690 1392408640 /nfs/dbraw/zinc/40/86/40/1392408640.db2.gz LGZQVRCRXWBIQR-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829693 1392416390 /nfs/dbraw/zinc/41/63/90/1392416390.db2.gz CPQIZUVCHIYRRP-IEBWSBKVSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085175 1392574793 /nfs/dbraw/zinc/57/47/93/1392574793.db2.gz QJALRQNYEDOWBH-OALUTQOASA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480085175 1392574795 /nfs/dbraw/zinc/57/47/95/1392574795.db2.gz QJALRQNYEDOWBH-OALUTQOASA-N 1 3 337.552 3.079 10 0 EGAEHO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272719 1392655835 /nfs/dbraw/zinc/65/58/35/1392655835.db2.gz YLOPOJFYKGNFLS-UYAOXDASSA-N 1 3 345.531 3.306 10 0 EGAEHO CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272719 1392655837 /nfs/dbraw/zinc/65/58/37/1392655837.db2.gz YLOPOJFYKGNFLS-UYAOXDASSA-N 1 3 345.531 3.306 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001480361974 1392706186 /nfs/dbraw/zinc/70/61/86/1392706186.db2.gz WXJIZKDBVWBQKN-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384976 1392729795 /nfs/dbraw/zinc/72/97/95/1392729795.db2.gz YWAZLHLEJHORIG-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480384976 1392729799 /nfs/dbraw/zinc/72/97/99/1392729799.db2.gz YWAZLHLEJHORIG-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700936 1392864548 /nfs/dbraw/zinc/86/45/48/1392864548.db2.gz ZIDCIFSZJWCPHX-RTBURBONSA-N 1 3 349.563 3.458 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001698900720 1406633903 /nfs/dbraw/zinc/63/39/03/1406633903.db2.gz UCDBLQXPMYCTSW-WAQVGJNASA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001481407024 1394260652 /nfs/dbraw/zinc/26/06/52/1394260652.db2.gz YKXZFUANKAPHGC-VQTJNVASSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001481407024 1394260655 /nfs/dbraw/zinc/26/06/55/1394260655.db2.gz YKXZFUANKAPHGC-VQTJNVASSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001491079422 1394420935 /nfs/dbraw/zinc/42/09/35/1394420935.db2.gz AZWBRFCMYGHBRN-RWQQGDIJSA-N 1 3 335.536 3.066 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001491113911 1394433516 /nfs/dbraw/zinc/43/35/16/1394433516.db2.gz KKVGQJGZTNUXCN-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001491113911 1394433519 /nfs/dbraw/zinc/43/35/19/1394433519.db2.gz KKVGQJGZTNUXCN-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812027 1394541124 /nfs/dbraw/zinc/54/11/24/1394541124.db2.gz ZHHCRLRUFXIOCJ-MOPGFXCFSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)c1ccccc1Cl ZINC001481880545 1394574382 /nfs/dbraw/zinc/57/43/82/1394574382.db2.gz GMEKTWGEYJHHKG-HUUCEWRRSA-N 1 3 339.911 3.226 10 0 EGAEHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481960268 1394621058 /nfs/dbraw/zinc/62/10/58/1394621058.db2.gz GILWWRQUWFBRIQ-GHTZIAJQSA-N 1 3 349.563 3.483 10 0 EGAEHO CC(C)CC[NH2+]Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC001482035705 1394696666 /nfs/dbraw/zinc/69/66/66/1394696666.db2.gz LAQGHKQXSVQGDI-ROUUACIJSA-N 1 3 345.531 3.311 10 0 EGAEHO CC(C)[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962375 1406717572 /nfs/dbraw/zinc/71/75/72/1406717572.db2.gz PRUYPBQNAHFLHH-ZWKOTPCHSA-N 1 3 337.552 3.026 10 0 EGAEHO C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482331941 1394901488 /nfs/dbraw/zinc/90/14/88/1394901488.db2.gz WHWASLCPCISFFQ-GFBZKKKVSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001482369534 1394932216 /nfs/dbraw/zinc/93/22/16/1394932216.db2.gz NDPMYMDZCNCDCR-CABCVRRESA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)(C(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1)N1CCCC1 ZINC001484139920 1395276268 /nfs/dbraw/zinc/27/62/68/1395276268.db2.gz FRDXJVOZEDADQD-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001484927095 1395594883 /nfs/dbraw/zinc/59/48/83/1395594883.db2.gz HTNSLLAYCCALDB-RTBURBONSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC001485310044 1395787641 /nfs/dbraw/zinc/78/76/41/1395787641.db2.gz OHHNAGHBCGRYIK-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001485310044 1395787650 /nfs/dbraw/zinc/78/76/50/1395787650.db2.gz OHHNAGHBCGRYIK-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C ZINC001485357689 1395832794 /nfs/dbraw/zinc/83/27/94/1395832794.db2.gz LIKWQANXDWUZJX-DLBZAZTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001485357689 1395832799 /nfs/dbraw/zinc/83/27/99/1395832799.db2.gz LIKWQANXDWUZJX-DLBZAZTESA-N 1 3 325.541 3.122 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001485456630 1395926767 /nfs/dbraw/zinc/92/67/67/1395926767.db2.gz YWOLMPGSNJXVNF-UHFFFAOYSA-N 1 3 349.494 3.076 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485759525 1396134678 /nfs/dbraw/zinc/13/46/78/1396134678.db2.gz YISSUICBSCVKJE-YXBWYFRISA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485759525 1396134681 /nfs/dbraw/zinc/13/46/81/1396134681.db2.gz YISSUICBSCVKJE-YXBWYFRISA-N 1 3 337.552 3.242 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486238207 1396186841 /nfs/dbraw/zinc/18/68/41/1396186841.db2.gz NGSPQTHSVRWSBB-IWAYRVGRSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001492091580 1396303810 /nfs/dbraw/zinc/30/38/10/1396303810.db2.gz FAPRAPGTIFGFHN-ICSRJNTNSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001494214268 1396403295 /nfs/dbraw/zinc/40/32/95/1396403295.db2.gz HVABCDSWRXDNQA-GOSISDBHSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001494214268 1396403296 /nfs/dbraw/zinc/40/32/96/1396403296.db2.gz HVABCDSWRXDNQA-GOSISDBHSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001496338247 1396655188 /nfs/dbraw/zinc/65/51/88/1396655188.db2.gz FGBOKBBZDSURGA-QZTJIDSGSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001496338250 1396655580 /nfs/dbraw/zinc/65/55/80/1396655580.db2.gz FGBOKBBZDSURGA-ZWKOTPCHSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001689271121 1397004520 /nfs/dbraw/zinc/00/45/20/1397004520.db2.gz CONYUSGMBPBAJS-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001689271120 1397005017 /nfs/dbraw/zinc/00/50/17/1397005017.db2.gz CONYUSGMBPBAJS-QZTJIDSGSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)c1 ZINC001689272015 1397009548 /nfs/dbraw/zinc/00/95/48/1397009548.db2.gz VLSSGJKXIZSBOS-LJQANCHMSA-N 1 3 349.494 3.082 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689909218 1404202040 /nfs/dbraw/zinc/20/20/40/1404202040.db2.gz MHJJVVFBAULIEB-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H]([NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001690162906 1404360620 /nfs/dbraw/zinc/36/06/20/1404360620.db2.gz RELVSILRTHEDGL-VQIMIIECSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690458700 1404588905 /nfs/dbraw/zinc/58/89/05/1404588905.db2.gz GNCYFNKDTUNQIR-RBUKOAKNSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001725412899 1426057622 /nfs/dbraw/zinc/05/76/22/1426057622.db2.gz LNEAXWNFLIQJJI-JKSUJKDBSA-N 1 3 342.487 3.205 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001691277160 1405188193 /nfs/dbraw/zinc/18/81/93/1405188193.db2.gz QRPQJVQRPHJYIB-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CC[NH2+]CCC2=CCCCC2)c1 ZINC001691619231 1405360645 /nfs/dbraw/zinc/36/06/45/1405360645.db2.gz HFXOJXCTIFPSTJ-UHFFFAOYSA-N 1 3 343.515 3.300 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677653 1405412012 /nfs/dbraw/zinc/41/20/12/1405412012.db2.gz FOLDHUJFSXETDH-OALUTQOASA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001691728340 1405452169 /nfs/dbraw/zinc/45/21/69/1405452169.db2.gz QGKMKEIYXXOXAA-ZWKOTPCHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001691955242 1405673811 /nfs/dbraw/zinc/67/38/11/1405673811.db2.gz NETOQDFMJAAOCJ-RBUKOAKNSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692104686 1405773326 /nfs/dbraw/zinc/77/33/26/1405773326.db2.gz YTMNXWZLZWGBPM-PKOBYXMFSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001692335962 1405956141 /nfs/dbraw/zinc/95/61/41/1405956141.db2.gz BZNAOUSXBYYZNP-LJQANCHMSA-N 1 3 349.494 3.027 10 0 EGAEHO Cc1ccccc1[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382220 1405987810 /nfs/dbraw/zinc/98/78/10/1405987810.db2.gz DVNVKRGJUBIIIG-QYZOEREBSA-N 1 3 343.515 3.073 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698549292 1406147155 /nfs/dbraw/zinc/14/71/55/1406147155.db2.gz QIYIBQLADJLJMC-YJJPMGAVSA-N 1 3 343.515 3.299 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698549292 1406147158 /nfs/dbraw/zinc/14/71/58/1406147158.db2.gz QIYIBQLADJLJMC-YJJPMGAVSA-N 1 3 343.515 3.299 10 0 EGAEHO CC1CCC(C[N@@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001732048130 1428285934 /nfs/dbraw/zinc/28/59/34/1428285934.db2.gz BGEDBUSLWUQJFK-ACBHZAAOSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CCC(C[N@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001732048130 1428285935 /nfs/dbraw/zinc/28/59/35/1428285935.db2.gz BGEDBUSLWUQJFK-ACBHZAAOSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085037 1428343329 /nfs/dbraw/zinc/34/33/29/1428343329.db2.gz YGVVQEKXPOYYPY-OALUTQOASA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085037 1428343334 /nfs/dbraw/zinc/34/33/34/1428343334.db2.gz YGVVQEKXPOYYPY-OALUTQOASA-N 1 3 345.531 3.177 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001732318829 1428529014 /nfs/dbraw/zinc/52/90/14/1428529014.db2.gz RYOIOSTWHHGTRQ-FQEVSTJZSA-N 1 3 343.515 3.067 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)c1 ZINC001732515912 1428634990 /nfs/dbraw/zinc/63/49/90/1428634990.db2.gz HKIKLIXPNRMZPF-HXUWFJFHSA-N 1 3 343.515 3.133 10 0 EGAEHO CCN(CC[NH2+]Cc1cc2ccccc2s1)C(=O)CN(C)C(C)C ZINC001699220247 1412584907 /nfs/dbraw/zinc/58/49/07/1412584907.db2.gz NYIHUWHVAXNQMK-UHFFFAOYSA-N 1 3 347.528 3.180 10 0 EGAEHO C[C@H]([NH2+]C/C=C\CNC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001699268269 1412605561 /nfs/dbraw/zinc/60/55/61/1412605561.db2.gz VLSBULBAHWKXHE-JZIMQPMSSA-N 1 3 349.906 3.147 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001699767960 1413173498 /nfs/dbraw/zinc/17/34/98/1413173498.db2.gz YTFXTMGHXRUOGZ-RRFGBZISSA-N 1 3 343.515 3.299 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001699981939 1413428403 /nfs/dbraw/zinc/42/84/03/1413428403.db2.gz QOMQIPUQGSLGPA-IYARVYRRSA-N 1 3 339.568 3.275 10 0 EGAEHO CC(C)(C)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCC1 ZINC001700132807 1413549610 /nfs/dbraw/zinc/54/96/10/1413549610.db2.gz ILXODSKOEFRVKU-UHFFFAOYSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCCCCC1CC[NH+](C(C)C)CC1 ZINC001700224358 1413673978 /nfs/dbraw/zinc/67/39/78/1413673978.db2.gz ROILMDCPXKPZNG-UHFFFAOYSA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001700362475 1413878791 /nfs/dbraw/zinc/87/87/91/1413878791.db2.gz KZDLPJHXRUZKHD-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001700362475 1413878797 /nfs/dbraw/zinc/87/87/97/1413878797.db2.gz KZDLPJHXRUZKHD-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001700448415 1414027442 /nfs/dbraw/zinc/02/74/42/1414027442.db2.gz LGZZAJLWPSVMNV-GOSISDBHSA-N 1 3 347.547 3.470 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001700520977 1414175721 /nfs/dbraw/zinc/17/57/21/1414175721.db2.gz JOOKEZAIAWDSJI-CEXWTWQISA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)=CCN1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700575189 1414249361 /nfs/dbraw/zinc/24/93/61/1414249361.db2.gz DOSQERNVJNWOEG-OALUTQOASA-N 1 3 349.563 3.290 10 0 EGAEHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732584818 1428795788 /nfs/dbraw/zinc/79/57/88/1428795788.db2.gz CHVJCWMCPRASSD-QFBILLFUSA-N 1 3 349.494 3.151 10 0 EGAEHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001732584818 1428795793 /nfs/dbraw/zinc/79/57/93/1428795793.db2.gz CHVJCWMCPRASSD-QFBILLFUSA-N 1 3 349.494 3.151 10 0 EGAEHO CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001700623486 1414295233 /nfs/dbraw/zinc/29/52/33/1414295233.db2.gz ITDVWHBZJXCIIN-NRSPTQNISA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001700623486 1414295235 /nfs/dbraw/zinc/29/52/35/1414295235.db2.gz ITDVWHBZJXCIIN-NRSPTQNISA-N 1 3 349.563 3.221 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001700860238 1414509057 /nfs/dbraw/zinc/50/90/57/1414509057.db2.gz SDTFYPTZSJCPEP-ZLQADLMRSA-N 1 3 343.515 3.297 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001700873593 1414527508 /nfs/dbraw/zinc/52/75/08/1414527508.db2.gz NJMSXEQODKNHHX-XUVXKRRUSA-N 1 3 347.547 3.045 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001700996104 1414644572 /nfs/dbraw/zinc/64/45/72/1414644572.db2.gz NCXKHRIJIBDUEO-VQVOLHRSSA-N 1 3 343.943 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001701047933 1414704520 /nfs/dbraw/zinc/70/45/20/1414704520.db2.gz RFLHAEYESXSQPB-IBGZPJMESA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001701047933 1414704524 /nfs/dbraw/zinc/70/45/24/1414704524.db2.gz RFLHAEYESXSQPB-IBGZPJMESA-N 1 3 349.563 3.434 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001732597105 1428836854 /nfs/dbraw/zinc/83/68/54/1428836854.db2.gz HFNKTIXZPSVPSZ-HDICACEKSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001732597105 1428836860 /nfs/dbraw/zinc/83/68/60/1428836860.db2.gz HFNKTIXZPSVPSZ-HDICACEKSA-N 1 3 345.531 3.012 10 0 EGAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)C1 ZINC001707051760 1417164345 /nfs/dbraw/zinc/16/43/45/1417164345.db2.gz SSWWKYZEEZPUTA-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CCN2CCCC(C)C)C1 ZINC001707051760 1417164347 /nfs/dbraw/zinc/16/43/47/1417164347.db2.gz SSWWKYZEEZPUTA-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001713089377 1417636727 /nfs/dbraw/zinc/63/67/27/1417636727.db2.gz SVVQEXUBNHRNHS-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001713089377 1417636729 /nfs/dbraw/zinc/63/67/29/1417636729.db2.gz SVVQEXUBNHRNHS-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181090 1417755542 /nfs/dbraw/zinc/75/55/42/1417755542.db2.gz DEUOXDOCFATPNW-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181090 1417755547 /nfs/dbraw/zinc/75/55/47/1417755547.db2.gz DEUOXDOCFATPNW-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001713493626 1418195477 /nfs/dbraw/zinc/19/54/77/1418195477.db2.gz OWUVHXWJXPSLGP-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC2(CCC2)C1 ZINC001713493626 1418195479 /nfs/dbraw/zinc/19/54/79/1418195479.db2.gz OWUVHXWJXPSLGP-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515099 1418249748 /nfs/dbraw/zinc/24/97/48/1418249748.db2.gz OJUVXKMDWGZRPH-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515099 1418249752 /nfs/dbraw/zinc/24/97/52/1418249752.db2.gz OJUVXKMDWGZRPH-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C)CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001713556829 1418350524 /nfs/dbraw/zinc/35/05/24/1418350524.db2.gz BFSPZTOSIIYGMI-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C)CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001713556829 1418350531 /nfs/dbraw/zinc/35/05/31/1418350531.db2.gz BFSPZTOSIIYGMI-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001713683631 1418436202 /nfs/dbraw/zinc/43/62/02/1418436202.db2.gz AXLGUZYJHSLWJN-GOSISDBHSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001713683552 1418436267 /nfs/dbraw/zinc/43/62/67/1418436267.db2.gz ZLDKFVBOJJRCMU-FUHWJXTLSA-N 1 3 339.568 3.226 10 0 EGAEHO CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001713702863 1418461760 /nfs/dbraw/zinc/46/17/60/1418461760.db2.gz QBIVAZVFDINPTB-RBUKOAKNSA-N 1 3 331.504 3.106 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC001733144408 1429261161 /nfs/dbraw/zinc/26/11/61/1429261161.db2.gz FEEFPRQHBPOCDG-IEBWSBKVSA-N 1 3 331.504 3.060 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792449 1418611144 /nfs/dbraw/zinc/61/11/44/1418611144.db2.gz UENRHNCUKVTCMU-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)(C)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001713865554 1418662613 /nfs/dbraw/zinc/66/26/13/1418662613.db2.gz HAYCAQBWPLOKGL-KRWDZBQOSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897376 1418695632 /nfs/dbraw/zinc/69/56/32/1418695632.db2.gz RWXWXWCIWMIDDT-KKHYBRAUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897376 1418695634 /nfs/dbraw/zinc/69/56/34/1418695634.db2.gz RWXWXWCIWMIDDT-KKHYBRAUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714019081 1418799237 /nfs/dbraw/zinc/79/92/37/1418799237.db2.gz QMUUKZUUNPAALG-WLMAVBAVSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714019081 1418799241 /nfs/dbraw/zinc/79/92/41/1418799241.db2.gz QMUUKZUUNPAALG-WLMAVBAVSA-N 1 3 335.536 3.140 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001714274903 1419055424 /nfs/dbraw/zinc/05/54/24/1419055424.db2.gz XBSYMCDNFGMUEB-QZTJIDSGSA-N 1 3 347.547 3.437 10 0 EGAEHO CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001714320977 1419099830 /nfs/dbraw/zinc/09/98/30/1419099830.db2.gz JLBUSWWKCCIKBM-KRWDZBQOSA-N 1 3 345.531 3.313 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001714434655 1419167509 /nfs/dbraw/zinc/16/75/09/1419167509.db2.gz CTQUOXAYXYTCFL-ZWKOTPCHSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001714434655 1419167517 /nfs/dbraw/zinc/16/75/17/1419167517.db2.gz CTQUOXAYXYTCFL-ZWKOTPCHSA-N 1 3 337.552 3.218 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001714472789 1419197801 /nfs/dbraw/zinc/19/78/01/1419197801.db2.gz JZHVZNKZDNMEGF-MSOLQXFVSA-N 1 3 345.531 3.333 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769673 1419500566 /nfs/dbraw/zinc/50/05/66/1419500566.db2.gz FKYJDRPGJVVGCR-FUHWJXTLSA-N 1 3 337.552 3.122 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001714884814 1419624344 /nfs/dbraw/zinc/62/43/44/1419624344.db2.gz YHDHNPMKHRRBFV-UYAOXDASSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001714884814 1419624346 /nfs/dbraw/zinc/62/43/46/1419624346.db2.gz YHDHNPMKHRRBFV-UYAOXDASSA-N 1 3 347.547 3.047 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001714980660 1419715338 /nfs/dbraw/zinc/71/53/38/1419715338.db2.gz UIGFBEOCULDPCG-RTBURBONSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001715007749 1419736780 /nfs/dbraw/zinc/73/67/80/1419736780.db2.gz CWVVTWKQJDLDLV-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001715190771 1419923075 /nfs/dbraw/zinc/92/30/75/1419923075.db2.gz KTEMYYIAZSSYNY-PSBWJHGTSA-N 1 3 337.552 3.312 10 0 EGAEHO CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001715249035 1419974827 /nfs/dbraw/zinc/97/48/27/1419974827.db2.gz DJEAYHRTHHEWQR-IBGZPJMESA-N 1 3 331.504 3.133 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001715463935 1420143416 /nfs/dbraw/zinc/14/34/16/1420143416.db2.gz IIVXJIMRNQOEOH-ROUUACIJSA-N 1 3 337.552 3.147 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001715718096 1420309549 /nfs/dbraw/zinc/30/95/49/1420309549.db2.gz YUIXCDXDYJWTAX-GBOJCQPWSA-N 1 3 343.515 3.059 10 0 EGAEHO CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)C1(N(C)C)CCC1 ZINC001715738546 1420319133 /nfs/dbraw/zinc/31/91/33/1420319133.db2.gz VGNFHNOSYMQBGI-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001715855035 1420368434 /nfs/dbraw/zinc/36/84/34/1420368434.db2.gz YLXOEQBFEGWLTG-JVSUKQCGSA-N 1 3 349.563 3.195 10 0 EGAEHO CC(C)[C@@H](C(=O)NC/C=C\CNCc1ccsc1)[NH+]1CCCCC1 ZINC001715915576 1420395873 /nfs/dbraw/zinc/39/58/73/1420395873.db2.gz UCXCCFRYCCCNNE-XDXAGZTOSA-N 1 3 349.544 3.021 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715979661 1420439074 /nfs/dbraw/zinc/43/90/74/1420439074.db2.gz SAKAQOHCXZMPAU-WMZOPIPTSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042617 1420505732 /nfs/dbraw/zinc/50/57/32/1420505732.db2.gz RANVQFDAXLHDLM-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001716042617 1420505733 /nfs/dbraw/zinc/50/57/33/1420505733.db2.gz RANVQFDAXLHDLM-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001716145016 1420541012 /nfs/dbraw/zinc/54/10/12/1420541012.db2.gz CAMNEOMEUUOIBN-MSOLQXFVSA-N 1 3 345.531 3.333 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515497 1420745381 /nfs/dbraw/zinc/74/53/81/1420745381.db2.gz JUEAYMRSWQQNQY-QZTJIDSGSA-N 1 3 335.536 3.092 10 0 EGAEHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H](C)C2)cc1 ZINC001716770191 1420914522 /nfs/dbraw/zinc/91/45/22/1420914522.db2.gz WMKYCKYTHSRLFH-XLIONFOSSA-N 1 3 345.531 3.058 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004694 1421073392 /nfs/dbraw/zinc/07/33/92/1421073392.db2.gz XBIZYOACKCNDGZ-HNBVOPMISA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC=C(C)C)cc1)N(C)C ZINC001717114597 1421118507 /nfs/dbraw/zinc/11/85/07/1421118507.db2.gz CPJXWAYHTAIGBF-LPHOPBHVSA-N 1 3 331.504 3.260 10 0 EGAEHO CN(CC(=O)N(C)CCC[N@H+](C)Cc1ccsc1)CC(C)(C)C ZINC001717211772 1421185756 /nfs/dbraw/zinc/18/57/56/1421185756.db2.gz BPAADFNEGHEZDV-UHFFFAOYSA-N 1 3 339.549 3.006 10 0 EGAEHO CN(CC(=O)N(C)CCC[N@@H+](C)Cc1ccsc1)CC(C)(C)C ZINC001717211772 1421185760 /nfs/dbraw/zinc/18/57/60/1421185760.db2.gz BPAADFNEGHEZDV-UHFFFAOYSA-N 1 3 339.549 3.006 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001717642313 1421546570 /nfs/dbraw/zinc/54/65/70/1421546570.db2.gz QBWCREJHGXMIBH-KZNAEPCWSA-N 1 3 343.515 3.025 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695333 1421569640 /nfs/dbraw/zinc/56/96/40/1421569640.db2.gz FOHRALSDRDFOEL-AEFFLSMTSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717740894 1421604359 /nfs/dbraw/zinc/60/43/59/1421604359.db2.gz IFZWAVUQZFATJY-KXBFYZLASA-N 1 3 343.531 3.072 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001733350403 1429531261 /nfs/dbraw/zinc/53/12/61/1429531261.db2.gz QPYBEPOKMNTXJO-FQEVSTJZSA-N 1 3 347.547 3.189 10 0 EGAEHO CC[C@H](C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1)N(C)C ZINC001733356571 1429537618 /nfs/dbraw/zinc/53/76/18/1429537618.db2.gz KVBHKHIUCMLNSM-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)N1CCCCC1 ZINC001722939601 1424266861 /nfs/dbraw/zinc/26/68/61/1424266861.db2.gz NCXXUQXEIYKOKH-MOPGFXCFSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001724340771 1424833920 /nfs/dbraw/zinc/83/39/20/1424833920.db2.gz NUSNLMRUOIPZKO-UYAOXDASSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001724340771 1424833926 /nfs/dbraw/zinc/83/39/26/1424833926.db2.gz NUSNLMRUOIPZKO-UYAOXDASSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001724777794 1425142971 /nfs/dbraw/zinc/14/29/71/1425142971.db2.gz VGBVSBUGIFRVNS-FQEVSTJZSA-N 1 3 345.531 3.191 10 0 EGAEHO CCCCC[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001724777794 1425142974 /nfs/dbraw/zinc/14/29/74/1425142974.db2.gz VGBVSBUGIFRVNS-FQEVSTJZSA-N 1 3 345.531 3.191 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001724842733 1425192815 /nfs/dbraw/zinc/19/28/15/1425192815.db2.gz IYWZBKDPAINPOV-ACBHZAAOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001724842733 1425192821 /nfs/dbraw/zinc/19/28/21/1425192821.db2.gz IYWZBKDPAINPOV-ACBHZAAOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966063 1425357742 /nfs/dbraw/zinc/35/77/42/1425357742.db2.gz LKQWZICGMQDXCV-DKFQHHCZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966063 1425357747 /nfs/dbraw/zinc/35/77/47/1425357747.db2.gz LKQWZICGMQDXCV-DKFQHHCZSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001725074472 1425515340 /nfs/dbraw/zinc/51/53/40/1425515340.db2.gz MGJUAQPOHARUJM-UHFFFAOYSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172343 1425682837 /nfs/dbraw/zinc/68/28/37/1425682837.db2.gz LBJNFERCKPTTNT-QZTJIDSGSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172343 1425682840 /nfs/dbraw/zinc/68/28/40/1425682840.db2.gz LBJNFERCKPTTNT-QZTJIDSGSA-N 1 3 345.531 3.367 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680143 1426368187 /nfs/dbraw/zinc/36/81/87/1426368187.db2.gz MLRPUFSBOLIWIJ-MAUKXSAKSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C(=O)NC1(C2CC[NH+](CCCC3CCC3)CC2)CC1)N(C)C ZINC001725794209 1426479615 /nfs/dbraw/zinc/47/96/15/1426479615.db2.gz KACVDNMQDHGYNX-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731318045 1427258884 /nfs/dbraw/zinc/25/88/84/1427258884.db2.gz XJKZRQMGCVIDER-DLBZAZTESA-N 1 3 349.494 3.057 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731318045 1427258889 /nfs/dbraw/zinc/25/88/89/1427258889.db2.gz XJKZRQMGCVIDER-DLBZAZTESA-N 1 3 349.494 3.057 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423806 1427403404 /nfs/dbraw/zinc/40/34/04/1427403404.db2.gz CCCOXMXQOQMWSE-MOPGFXCFSA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423806 1427403408 /nfs/dbraw/zinc/40/34/08/1427403408.db2.gz CCCOXMXQOQMWSE-MOPGFXCFSA-N 1 3 339.568 3.179 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001731572405 1427613830 /nfs/dbraw/zinc/61/38/30/1427613830.db2.gz YXCXQSGORUODPP-WWDZGPRUSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001731859431 1428097773 /nfs/dbraw/zinc/09/77/73/1428097773.db2.gz DZTCUWNJNFZHOJ-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001731859431 1428097777 /nfs/dbraw/zinc/09/77/77/1428097777.db2.gz DZTCUWNJNFZHOJ-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](CCNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001731884593 1428158569 /nfs/dbraw/zinc/15/85/69/1428158569.db2.gz YPFJJRRODHTKRS-GOSISDBHSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](CCNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001731884593 1428158570 /nfs/dbraw/zinc/15/85/70/1428158570.db2.gz YPFJJRRODHTKRS-GOSISDBHSA-N 1 3 345.531 3.285 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677609 1429875797 /nfs/dbraw/zinc/87/57/97/1429875797.db2.gz RYOBAASKQVKMTE-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001733684908 1429900236 /nfs/dbraw/zinc/90/02/36/1429900236.db2.gz QMMPVHNEVNIWLT-MSOLQXFVSA-N 1 3 345.531 3.341 10 0 EGAEHO C=C/C(C)=C/CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC)CC1 ZINC001733781869 1430047149 /nfs/dbraw/zinc/04/71/49/1430047149.db2.gz USCQOKSBKDFTPE-JEQMCHBPSA-N 1 3 345.531 3.058 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1 ZINC001733959979 1437766115 /nfs/dbraw/zinc/76/61/15/1437766115.db2.gz LTXHIQCWKJHOGF-ABHNRTSZSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734025109 1437812950 /nfs/dbraw/zinc/81/29/50/1437812950.db2.gz JHXAZHLEGRMZDZ-HDICACEKSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001734057438 1437849312 /nfs/dbraw/zinc/84/93/12/1437849312.db2.gz GPHLZMLTUMRZEM-VQIMIIECSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001734057438 1437849313 /nfs/dbraw/zinc/84/93/13/1437849313.db2.gz GPHLZMLTUMRZEM-VQIMIIECSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734106809 1437893628 /nfs/dbraw/zinc/89/36/28/1437893628.db2.gz TVDMTWRVRLVEOY-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734106809 1437893629 /nfs/dbraw/zinc/89/36/29/1437893629.db2.gz TVDMTWRVRLVEOY-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481874 1438127313 /nfs/dbraw/zinc/12/73/13/1438127313.db2.gz MSVDVWMUJAUHLV-OALUTQOASA-N 1 3 349.563 3.173 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481878 1438127391 /nfs/dbraw/zinc/12/73/91/1438127391.db2.gz MSVDVWMUJAUHLV-RTBURBONSA-N 1 3 349.563 3.173 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001734489849 1438130194 /nfs/dbraw/zinc/13/01/94/1438130194.db2.gz XVQNCBSEKBTPMQ-AZUAARDMSA-N 1 3 345.531 3.018 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001734571446 1438165472 /nfs/dbraw/zinc/16/54/72/1438165472.db2.gz URAZKXNDNOILEV-ZWKOTPCHSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001734637142 1438196942 /nfs/dbraw/zinc/19/69/42/1438196942.db2.gz NSDIVPUNETXGBM-RTBURBONSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001734637142 1438196943 /nfs/dbraw/zinc/19/69/43/1438196943.db2.gz NSDIVPUNETXGBM-RTBURBONSA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000368530120 168368788 /nfs/dbraw/zinc/36/87/88/168368788.db2.gz ISIQGYPORBNCQG-RMVXJAJNSA-N 1 3 329.532 3.217 10 0 EGAEHO CSc1ccc(CN2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000020452550 212130661 /nfs/dbraw/zinc/13/06/61/212130661.db2.gz XJQOETQNECQBSF-SFHVURJKSA-N 1 3 335.561 3.256 10 0 EGAEHO CSc1ccc(CN2CCC[C@H]([N@H+](C)CCCN(C)C)C2)cc1 ZINC000020452550 212130663 /nfs/dbraw/zinc/13/06/63/212130663.db2.gz XJQOETQNECQBSF-SFHVURJKSA-N 1 3 335.561 3.256 10 0 EGAEHO CSc1ccc(CN2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)cc1 ZINC000020452550 212130665 /nfs/dbraw/zinc/13/06/65/212130665.db2.gz XJQOETQNECQBSF-SFHVURJKSA-N 1 3 335.561 3.256 10 0 EGAEHO CN1CCc2c(c(-c3ccc(F)cc3)nn2CC[C@H]2CCC[N@@H+]2C)C1 ZINC000078685970 217102863 /nfs/dbraw/zinc/10/28/63/217102863.db2.gz POIDXPFRSRGYLE-QGZVFWFLSA-N 1 3 342.462 3.161 10 0 EGAEHO CN1CCc2c(c(-c3ccc(F)cc3)nn2CC[C@H]2CCC[N@H+]2C)C1 ZINC000078685970 217102869 /nfs/dbraw/zinc/10/28/69/217102869.db2.gz POIDXPFRSRGYLE-QGZVFWFLSA-N 1 3 342.462 3.161 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000266000034 248013612 /nfs/dbraw/zinc/01/36/12/248013612.db2.gz OYEQXHXHHGWHHU-YLJYHZDGSA-N 1 3 343.515 3.227 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000191454303 153197666 /nfs/dbraw/zinc/19/76/66/153197666.db2.gz JDJHJJUICYXORF-UHFFFAOYSA-N 1 3 333.520 3.440 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000191454303 153197670 /nfs/dbraw/zinc/19/76/70/153197670.db2.gz JDJHJJUICYXORF-UHFFFAOYSA-N 1 3 333.520 3.440 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000347008847 156245866 /nfs/dbraw/zinc/24/58/66/156245866.db2.gz JIOXGNZZMWJQGT-FQEVSTJZSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000347008847 156245873 /nfs/dbraw/zinc/24/58/73/156245873.db2.gz JIOXGNZZMWJQGT-FQEVSTJZSA-N 1 3 343.515 3.226 10 0 EGAEHO COc1c(O)cccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000352604912 156376071 /nfs/dbraw/zinc/37/60/71/156376071.db2.gz DNOZRIDUHQTMFF-UHFFFAOYSA-N 1 3 332.488 3.489 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000350183705 165017759 /nfs/dbraw/zinc/01/77/59/165017759.db2.gz ISRZNYORZMQRAK-UHFFFAOYSA-N 1 3 327.472 3.494 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367599188 168246834 /nfs/dbraw/zinc/24/68/34/168246834.db2.gz GXLTWDYYSHGYOR-ZTFGCOKTSA-N 1 3 349.906 3.439 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367599188 168246836 /nfs/dbraw/zinc/24/68/36/168246836.db2.gz GXLTWDYYSHGYOR-ZTFGCOKTSA-N 1 3 349.906 3.439 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000367624091 168251642 /nfs/dbraw/zinc/25/16/42/168251642.db2.gz WCJZKDWJFZBOIV-UFYCRDLUSA-N 1 3 342.462 3.016 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000367624091 168251644 /nfs/dbraw/zinc/25/16/44/168251644.db2.gz WCJZKDWJFZBOIV-UFYCRDLUSA-N 1 3 342.462 3.016 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc(F)cc1 ZINC000278452137 268015742 /nfs/dbraw/zinc/01/57/42/268015742.db2.gz LPQMBZWPXBBFSD-ORYQWCPZSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccc(F)cc1 ZINC000278452137 268015743 /nfs/dbraw/zinc/01/57/43/268015743.db2.gz LPQMBZWPXBBFSD-ORYQWCPZSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000278743050 275270748 /nfs/dbraw/zinc/27/07/48/275270748.db2.gz JSQOTFXACSHLIX-QGZVFWFLSA-N 1 3 346.515 3.220 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+]Cc3cnccc3C)CC2)cc1 ZINC000280786484 275495614 /nfs/dbraw/zinc/49/56/14/275495614.db2.gz GBRVYMRIZFNGQY-UHFFFAOYSA-N 1 3 339.483 3.400 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000291482040 276649803 /nfs/dbraw/zinc/64/98/03/276649803.db2.gz MYVASWAYZUGCDC-UHFFFAOYSA-N 1 3 347.503 3.078 10 0 EGAEHO c1nnn(Cc2ccccc2)c1CNCCCCC[NH+]1CCCCC1 ZINC000291911429 276707186 /nfs/dbraw/zinc/70/71/86/276707186.db2.gz KDYRAGUZEBZPQH-UHFFFAOYSA-N 1 3 341.503 3.072 10 0 EGAEHO CN1CC[C@H]([NH2+]CCCN2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000340289020 290217324 /nfs/dbraw/zinc/21/73/24/290217324.db2.gz UBGJVXPZDVPDMW-OALUTQOASA-N 1 3 337.458 3.176 10 0 EGAEHO Cc1cncc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000414314294 309072388 /nfs/dbraw/zinc/07/23/88/309072388.db2.gz ZPCACENUBAVLFD-SFHVURJKSA-N 1 3 339.483 3.068 10 0 EGAEHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000414327082 309073202 /nfs/dbraw/zinc/07/32/02/309073202.db2.gz BETJWCVHCUTJAB-QMCAAQAGSA-N 1 3 342.527 3.428 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295871998 308369543 /nfs/dbraw/zinc/36/95/43/308369543.db2.gz GGOWZQSDIQEKJP-FWZVCBSNSA-N 1 3 327.516 3.112 10 0 EGAEHO CC[NH+]1CCC(NC(=O)CN[C@@H](CC(C)C)c2cccs2)CC1 ZINC000411511205 308942035 /nfs/dbraw/zinc/94/20/35/308942035.db2.gz IFIGPRGWGMZAPH-INIZCTEOSA-N 1 3 337.533 3.025 10 0 EGAEHO Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)[C@H](C)N)cc3)nc12 ZINC000415017034 309114496 /nfs/dbraw/zinc/11/44/96/309114496.db2.gz PDVFLCDKUDTMFI-HOTGVXAUSA-N 1 3 338.455 3.047 10 0 EGAEHO CNCc1ccccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000415894863 309146604 /nfs/dbraw/zinc/14/66/04/309146604.db2.gz ABQGMGYWGULANU-UHFFFAOYSA-N 1 3 344.503 3.182 10 0 EGAEHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422753837 309366627 /nfs/dbraw/zinc/36/66/27/309366627.db2.gz FERRIGFIZCBKMA-CEXWTWQISA-N 1 3 332.488 3.147 10 0 EGAEHO COc1cccc(-c2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422794387 309368667 /nfs/dbraw/zinc/36/86/67/309368667.db2.gz UGAOULMTBKFFNZ-IPHXSNPTSA-N 1 3 340.467 3.204 10 0 EGAEHO Fc1cc(F)cc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839654 309371263 /nfs/dbraw/zinc/37/12/63/309371263.db2.gz ABIVLOGECFKAFM-AZUAARDMSA-N 1 3 344.405 3.353 10 0 EGAEHO Cc1nc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887563 309374349 /nfs/dbraw/zinc/37/43/49/309374349.db2.gz BGJWQZWXRZZGBN-LPHOPBHVSA-N 1 3 343.496 3.148 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422902090 309375169 /nfs/dbraw/zinc/37/51/69/309375169.db2.gz CWYXUMZLGZOQRH-CYBMUJFWSA-N 1 3 344.528 3.467 10 0 EGAEHO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422915523 309375941 /nfs/dbraw/zinc/37/59/41/309375941.db2.gz BFBLLYLRNBFSIJ-KGLIPLIRSA-N 1 3 343.471 3.148 10 0 EGAEHO Clc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1Cl ZINC000422930012 309376541 /nfs/dbraw/zinc/37/65/41/309376541.db2.gz ASHGWUMUXMAQMP-NUEKZKHPSA-N 1 3 343.298 3.283 10 0 EGAEHO COc1ccc(Br)c(CNC2CCC(C[NH3+])CC2)c1 ZINC000422931495 309376714 /nfs/dbraw/zinc/37/67/14/309376714.db2.gz BXYGUCYLCNEHIY-UHFFFAOYSA-N 1 3 327.266 3.065 10 0 EGAEHO Fc1ccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934608 309376893 /nfs/dbraw/zinc/37/68/93/309376893.db2.gz GAYXVVAGOMSPEI-ICSRJNTNSA-N 1 3 342.414 3.050 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995715 309380022 /nfs/dbraw/zinc/38/00/22/309380022.db2.gz YWAUFWGZMQFTCO-OIISXLGYSA-N 1 3 344.421 3.106 10 0 EGAEHO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000423153510 309388572 /nfs/dbraw/zinc/38/85/72/309388572.db2.gz HMDAIBUWKHMTRF-QGPMSJSTSA-N 1 3 325.456 3.454 10 0 EGAEHO Cc1c([C@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255038 309392561 /nfs/dbraw/zinc/39/25/61/309392561.db2.gz ANFHLCQRHPGEOG-DZGCQCFKSA-N 1 3 347.894 3.269 10 0 EGAEHO CCN(CC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449114378 310038247 /nfs/dbraw/zinc/03/82/47/310038247.db2.gz ZJYQTAHSDCCVRS-SFHVURJKSA-N 1 3 329.532 3.156 10 0 EGAEHO CC(C)(O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453018282 310252949 /nfs/dbraw/zinc/25/29/49/310252949.db2.gz NXXOJCVPJVANEA-IBGZPJMESA-N 1 3 330.516 3.380 10 0 EGAEHO CC(C)(O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453018282 310252950 /nfs/dbraw/zinc/25/29/50/310252950.db2.gz NXXOJCVPJVANEA-IBGZPJMESA-N 1 3 330.516 3.380 10 0 EGAEHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453105505 310258184 /nfs/dbraw/zinc/25/81/84/310258184.db2.gz HRBQIZFVUZWRFW-MRXNPFEDSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCCCCC1 ZINC000468773257 310693537 /nfs/dbraw/zinc/69/35/37/310693537.db2.gz AUCWQIKZQNQEKO-UXHICEINSA-N 1 3 349.563 3.366 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC1(C)C ZINC000487305170 311019762 /nfs/dbraw/zinc/01/97/62/311019762.db2.gz MJCLYWPATKPHEU-QFBILLFUSA-N 1 3 343.515 3.036 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000514100010 312225058 /nfs/dbraw/zinc/22/50/58/312225058.db2.gz SLYZNDFORUJPJP-AABGKKOBSA-N 1 3 342.531 3.424 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000514100010 312225059 /nfs/dbraw/zinc/22/50/59/312225059.db2.gz SLYZNDFORUJPJP-AABGKKOBSA-N 1 3 342.531 3.424 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000514100010 312225060 /nfs/dbraw/zinc/22/50/60/312225060.db2.gz SLYZNDFORUJPJP-AABGKKOBSA-N 1 3 342.531 3.424 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529605099 313366657 /nfs/dbraw/zinc/36/66/57/313366657.db2.gz ANTFLQBGLGNVSW-HNNXBMFYSA-N 1 3 338.442 3.037 10 0 EGAEHO CC(C)Oc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240385 313504309 /nfs/dbraw/zinc/50/43/09/313504309.db2.gz LIPLMRPMJJGAFQ-FQEVSTJZSA-N 1 3 332.488 3.064 10 0 EGAEHO C[C@H](CCc1ccccc1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000539382619 314310116 /nfs/dbraw/zinc/31/01/16/314310116.db2.gz OBQBWIBNZSPOTF-IRLDBZIGSA-N 1 3 343.559 3.357 10 0 EGAEHO C[C@H](CCc1ccccc1)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000539382619 314310118 /nfs/dbraw/zinc/31/01/18/314310118.db2.gz OBQBWIBNZSPOTF-IRLDBZIGSA-N 1 3 343.559 3.357 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000553405419 315262418 /nfs/dbraw/zinc/26/24/18/315262418.db2.gz NSJFTRHYVCPXKV-SFHVURJKSA-N 1 3 343.515 3.021 10 0 EGAEHO CN(c1ccccc1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565095871 316264889 /nfs/dbraw/zinc/26/48/89/316264889.db2.gz XYQOIIQCILNEOL-UHFFFAOYSA-N 1 3 335.495 3.433 10 0 EGAEHO CCc1cccc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)c1 ZINC000580335039 325237487 /nfs/dbraw/zinc/23/74/87/325237487.db2.gz COJJSVWIFUAOJW-UHFFFAOYSA-N 1 3 329.532 3.289 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2ccc(OCC(F)(F)F)nc2)CC1(C)C ZINC000623495433 460581332 /nfs/dbraw/zinc/58/13/32/460581332.db2.gz BMLLEVMUBYZLPJ-AWEZNQCLSA-N 1 3 345.409 3.028 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2ccc(OCC(F)(F)F)nc2)CC1(C)C ZINC000623495433 460581336 /nfs/dbraw/zinc/58/13/36/460581336.db2.gz BMLLEVMUBYZLPJ-AWEZNQCLSA-N 1 3 345.409 3.028 10 0 EGAEHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1OC ZINC000133118109 454394026 /nfs/dbraw/zinc/39/40/26/454394026.db2.gz JYGRVNVLFSSYJB-LPHOPBHVSA-N 1 3 332.488 3.237 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123609303 454657288 /nfs/dbraw/zinc/65/72/88/454657288.db2.gz DGNLURGSJCAYBP-ZWKOTPCHSA-N 1 3 345.531 3.306 10 0 EGAEHO C[N@H+](CCOC(C)(C)C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106126935 454681502 /nfs/dbraw/zinc/68/15/02/454681502.db2.gz YHQQPXJKSIEKAH-HXUWFJFHSA-N 1 3 348.531 3.179 10 0 EGAEHO C[N@@H+](CCOC(C)(C)C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106126935 454681508 /nfs/dbraw/zinc/68/15/08/454681508.db2.gz YHQQPXJKSIEKAH-HXUWFJFHSA-N 1 3 348.531 3.179 10 0 EGAEHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124673300 454758920 /nfs/dbraw/zinc/75/89/20/454758920.db2.gz VXKLQJUBXHOUQO-NQIIRXRSSA-N 1 3 341.543 3.460 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000125169132 454802122 /nfs/dbraw/zinc/80/21/22/454802122.db2.gz IKMWTUQWNKBHKK-FQEVSTJZSA-N 1 3 327.516 3.245 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000125169132 454802126 /nfs/dbraw/zinc/80/21/26/454802126.db2.gz IKMWTUQWNKBHKK-FQEVSTJZSA-N 1 3 327.516 3.245 10 0 EGAEHO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000164007850 454871817 /nfs/dbraw/zinc/87/18/17/454871817.db2.gz VTWYFGVZDOFJSZ-SFHVURJKSA-N 1 3 329.488 3.139 10 0 EGAEHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128253823 455039808 /nfs/dbraw/zinc/03/98/08/455039808.db2.gz FAWQVQQGKZRBEK-HNNXBMFYSA-N 1 3 343.968 3.340 10 0 EGAEHO CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000180119176 455134446 /nfs/dbraw/zinc/13/44/46/455134446.db2.gz LESFYAJPXIHFPV-VCSGRIEYSA-N 1 3 327.516 3.256 10 0 EGAEHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000180173688 455144479 /nfs/dbraw/zinc/14/44/79/455144479.db2.gz MBAOGPTXTJNJDB-IHWFROFDSA-N 1 3 337.467 3.375 10 0 EGAEHO CC[C@H](C)NC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737192 455369272 /nfs/dbraw/zinc/36/92/72/455369272.db2.gz QZCCXLBFKXVQNT-FFGOWVMKSA-N 1 3 343.515 3.076 10 0 EGAEHO CC[C@H](C)NC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245737192 455369275 /nfs/dbraw/zinc/36/92/75/455369275.db2.gz QZCCXLBFKXVQNT-FFGOWVMKSA-N 1 3 343.515 3.076 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000245766212 455376552 /nfs/dbraw/zinc/37/65/52/455376552.db2.gz QVIQNLLEUNITGV-DZGCQCFKSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000245766212 455376557 /nfs/dbraw/zinc/37/65/57/455376557.db2.gz QVIQNLLEUNITGV-DZGCQCFKSA-N 1 3 342.430 3.459 10 0 EGAEHO CC1(C)[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245853640 455385994 /nfs/dbraw/zinc/38/59/94/455385994.db2.gz GTSJDCRHYSFAQO-GUDVDZBRSA-N 1 3 329.488 3.091 10 0 EGAEHO Cc1cccc(CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000182604738 455551822 /nfs/dbraw/zinc/55/18/22/455551822.db2.gz BQNFQFROEMOVGV-CBQGHPETSA-N 1 3 341.543 3.170 10 0 EGAEHO Cc1cccc(CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000182604738 455551826 /nfs/dbraw/zinc/55/18/26/455551826.db2.gz BQNFQFROEMOVGV-CBQGHPETSA-N 1 3 341.543 3.170 10 0 EGAEHO CC[C@H](c1ccc(F)cc1F)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247182551 455570417 /nfs/dbraw/zinc/57/04/17/455570417.db2.gz USYIKPPQSBMNSB-IFXJQAMLSA-N 1 3 340.458 3.441 10 0 EGAEHO CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261917016 455971790 /nfs/dbraw/zinc/97/17/90/455971790.db2.gz XDTRXKMAYAWHDC-GGPKGHCWSA-N 1 3 343.515 3.060 10 0 EGAEHO CC1CCN(C(=[NH2+])NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000262432357 456035262 /nfs/dbraw/zinc/03/52/62/456035262.db2.gz WRNHUTALBJVTSZ-UHFFFAOYSA-N 1 3 346.441 3.048 10 0 EGAEHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000263299151 456121751 /nfs/dbraw/zinc/12/17/51/456121751.db2.gz WVMZARQIBQIHHK-PZJWPPBQSA-N 1 3 343.515 3.196 10 0 EGAEHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000282193367 456439299 /nfs/dbraw/zinc/43/92/99/456439299.db2.gz NKRIQHXYKBAGPG-GIVPXCGWSA-N 1 3 328.500 3.312 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000340477082 456484163 /nfs/dbraw/zinc/48/41/63/456484163.db2.gz WZHCFHRPOJHHDX-XLIONFOSSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000340477082 456484169 /nfs/dbraw/zinc/48/41/69/456484169.db2.gz WZHCFHRPOJHHDX-XLIONFOSSA-N 1 3 341.503 3.221 10 0 EGAEHO CN(CCCc1nc(-c2cccs2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353150468 456523446 /nfs/dbraw/zinc/52/34/46/456523446.db2.gz CPRKSFOUCCWKNJ-YIONKMFJSA-N 1 3 346.500 3.288 10 0 EGAEHO CN(CCCc1nc(-c2cccs2)no1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353150468 456523450 /nfs/dbraw/zinc/52/34/50/456523450.db2.gz CPRKSFOUCCWKNJ-YIONKMFJSA-N 1 3 346.500 3.288 10 0 EGAEHO C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504300 456534788 /nfs/dbraw/zinc/53/47/88/456534788.db2.gz SDXVCEBXAMUBOW-BEFAXECRSA-N 1 3 342.487 3.089 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000353404309 456678729 /nfs/dbraw/zinc/67/87/29/456678729.db2.gz OHZQUHPSGICXBC-BPUTZDHNSA-N 1 3 336.863 3.074 10 0 EGAEHO CN1CCC(C[NH2+][C@H]2CCc3c2cccc3F)(N2CCCCC2)CC1 ZINC000338238870 456724671 /nfs/dbraw/zinc/72/46/71/456724671.db2.gz QEPRAJDXXJSTJR-FQEVSTJZSA-N 1 3 345.506 3.353 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353522904 456735460 /nfs/dbraw/zinc/73/54/60/456735460.db2.gz SPFLJWJTTJKGQF-UHOSZYNNSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353522904 456735464 /nfs/dbraw/zinc/73/54/64/456735464.db2.gz SPFLJWJTTJKGQF-UHOSZYNNSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1F ZINC000353522904 456735469 /nfs/dbraw/zinc/73/54/69/456735469.db2.gz SPFLJWJTTJKGQF-UHOSZYNNSA-N 1 3 342.462 3.282 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353525603 456737220 /nfs/dbraw/zinc/73/72/20/456737220.db2.gz HKULPZSBIDOQQV-XSDIEEQYSA-N 1 3 327.516 3.113 10 0 EGAEHO CC[C@@H](C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000338267533 456739673 /nfs/dbraw/zinc/73/96/73/456739673.db2.gz VGLHCVCKHUQMGX-IBGZPJMESA-N 1 3 345.531 3.135 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000353754191 456891791 /nfs/dbraw/zinc/89/17/91/456891791.db2.gz YQTSIHVPKBCGOK-WMLDXEAASA-N 1 3 330.501 3.367 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000353754191 456891793 /nfs/dbraw/zinc/89/17/93/456891793.db2.gz YQTSIHVPKBCGOK-WMLDXEAASA-N 1 3 330.501 3.367 10 0 EGAEHO C[C@H]1CCCCN1CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352014818 457331577 /nfs/dbraw/zinc/33/15/77/457331577.db2.gz OAVBTIFBPLPFBQ-KRWDZBQOSA-N 1 3 326.488 3.441 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000373869049 457376578 /nfs/dbraw/zinc/37/65/78/457376578.db2.gz TYYMNEAUXJCOSG-FPAYPSAMSA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000373869049 457376585 /nfs/dbraw/zinc/37/65/85/457376585.db2.gz TYYMNEAUXJCOSG-FPAYPSAMSA-N 1 3 336.520 3.351 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000397573520 457488463 /nfs/dbraw/zinc/48/84/63/457488463.db2.gz ZUZCRCSHUQWBNJ-QWFCFKBJSA-N 1 3 330.516 3.428 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000370653635 457692166 /nfs/dbraw/zinc/69/21/66/457692166.db2.gz SZCVPKDBADPSGR-QFBILLFUSA-N 1 3 340.467 3.401 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000370653635 457692169 /nfs/dbraw/zinc/69/21/69/457692169.db2.gz SZCVPKDBADPSGR-QFBILLFUSA-N 1 3 340.467 3.401 10 0 EGAEHO O=c1[nH]ccc2c1CN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411630891 457933594 /nfs/dbraw/zinc/93/35/94/457933594.db2.gz KMZHUUBGVCMFTC-UHFFFAOYSA-N 1 3 337.467 3.331 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375890057 458111351 /nfs/dbraw/zinc/11/13/51/458111351.db2.gz RGVCIWZLCUNWEV-XUVXKRRUSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375890057 458111358 /nfs/dbraw/zinc/11/13/58/458111358.db2.gz RGVCIWZLCUNWEV-XUVXKRRUSA-N 1 3 343.515 3.179 10 0 EGAEHO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000375890057 458111360 /nfs/dbraw/zinc/11/13/60/458111360.db2.gz RGVCIWZLCUNWEV-XUVXKRRUSA-N 1 3 343.515 3.179 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486110 458506832 /nfs/dbraw/zinc/50/68/32/458506832.db2.gz QNORORVPMJTYNX-ORBLRFAASA-N 1 3 345.453 3.008 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486110 458506834 /nfs/dbraw/zinc/50/68/34/458506834.db2.gz QNORORVPMJTYNX-ORBLRFAASA-N 1 3 345.453 3.008 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000464058941 458730026 /nfs/dbraw/zinc/73/00/26/458730026.db2.gz MMUIZNUTWCZENI-YZGWKJHDSA-N 1 3 346.515 3.312 10 0 EGAEHO CCCCNC(=O)C1(NCc2ccc3c(c2)C[NH2+]CC3)CCCCC1 ZINC000518201317 458849082 /nfs/dbraw/zinc/84/90/82/458849082.db2.gz ZOTGAMCOUVSCQF-UHFFFAOYSA-N 1 3 343.515 3.041 10 0 EGAEHO CC[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475024676 458912245 /nfs/dbraw/zinc/91/22/45/458912245.db2.gz TYBFHQBBRYQKGT-OALUTQOASA-N 1 3 331.504 3.060 10 0 EGAEHO CC[C@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475024676 458912248 /nfs/dbraw/zinc/91/22/48/458912248.db2.gz TYBFHQBBRYQKGT-OALUTQOASA-N 1 3 331.504 3.060 10 0 EGAEHO COc1ccc(COCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000594725110 459141159 /nfs/dbraw/zinc/14/11/59/459141159.db2.gz CAUNLVOHWMMEFL-UHFFFAOYSA-N 1 3 332.488 3.020 10 0 EGAEHO CCc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000569699895 459496679 /nfs/dbraw/zinc/49/66/79/459496679.db2.gz CQHCRIDDZKBCEB-UHFFFAOYSA-N 1 3 338.495 3.366 10 0 EGAEHO F[C@H](c1nc(-c2cccc(CN3CCCCC3)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000634553718 460417584 /nfs/dbraw/zinc/41/75/84/460417584.db2.gz FRTSNFISVQFZLA-SJORKVTESA-N 1 3 344.434 3.343 10 0 EGAEHO COc1cccc(C[C@H]([NH2+]CC2(N)CCOCC2)c2ccccc2)c1 ZINC000629525563 460796230 /nfs/dbraw/zinc/79/62/30/460796230.db2.gz WINMEXGTCYIHEM-FQEVSTJZSA-N 1 3 340.467 3.077 10 0 EGAEHO CC1(C)C[C@@H](NCCOCCC[NH3+])c2cc(Br)ccc21 ZINC000629539350 460801597 /nfs/dbraw/zinc/80/15/97/460801597.db2.gz QABKAQDXSMNNRA-OAHLLOKOSA-N 1 3 341.293 3.127 10 0 EGAEHO C[C@@H]1CCCN(Cc2ccncc2Br)[C@@H]1CCC[NH3+] ZINC000629544176 460802436 /nfs/dbraw/zinc/80/24/36/460802436.db2.gz FDEKQPYXPPBWLS-IUODEOHRSA-N 1 3 326.282 3.184 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2COc3cccc(C)c3C2)[C@H](C)C1 ZINC000624072089 460845651 /nfs/dbraw/zinc/84/56/51/460845651.db2.gz UANMWUKOUCBBOR-HBFSDRIKSA-N 1 3 346.515 3.025 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2COc3cccc(C)c3C2)[C@H](C)C1 ZINC000624072089 460845656 /nfs/dbraw/zinc/84/56/56/460845656.db2.gz UANMWUKOUCBBOR-HBFSDRIKSA-N 1 3 346.515 3.025 10 0 EGAEHO CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CCN(CC)C1 ZINC000617925104 461024050 /nfs/dbraw/zinc/02/40/50/461024050.db2.gz FIOHXFWDVPMKTE-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293031 461170773 /nfs/dbraw/zinc/17/07/73/461170773.db2.gz IRLKLMFQBYPWLQ-IEBWSBKVSA-N 1 3 343.515 3.342 10 0 EGAEHO Cc1ccccc1C1([NH2+]CCCN2CCN(C(C)C)CC2)CCC1 ZINC000649644676 461243846 /nfs/dbraw/zinc/24/38/46/461243846.db2.gz NXCNJEPTBMBPGF-UHFFFAOYSA-N 1 3 329.532 3.380 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292445 461278606 /nfs/dbraw/zinc/27/86/06/461278606.db2.gz PLKCYFCXMZKIFN-WOJBJXKFSA-N 1 3 343.515 3.094 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292444 461279115 /nfs/dbraw/zinc/27/91/15/461279115.db2.gz PLKCYFCXMZKIFN-VQTJNVASSA-N 1 3 343.515 3.094 10 0 EGAEHO C[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000659292980 461279207 /nfs/dbraw/zinc/27/92/07/461279207.db2.gz SZVTVQFFBLQCBU-GPMSIDNRSA-N 1 3 343.515 3.058 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)C1 ZINC000668489100 461302341 /nfs/dbraw/zinc/30/23/41/461302341.db2.gz BRZUUEIUTPJNOE-VSKRKVRLSA-N 1 3 336.479 3.147 10 0 EGAEHO c1ccc(CN2C[C@H](C[NH2+]CC[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713298 461392273 /nfs/dbraw/zinc/39/22/73/461392273.db2.gz LWBMBVOCCNURJN-PMACEKPBSA-N 1 3 328.500 3.305 10 0 EGAEHO CC(C)C[C@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740621 461409018 /nfs/dbraw/zinc/40/90/18/461409018.db2.gz WTEAROBIIRZVFJ-CTNGQTDRSA-N 1 3 330.516 3.347 10 0 EGAEHO CC(C)C[C@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740621 461409026 /nfs/dbraw/zinc/40/90/26/461409026.db2.gz WTEAROBIIRZVFJ-CTNGQTDRSA-N 1 3 330.516 3.347 10 0 EGAEHO Cc1nn(-c2ccccc2F)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000655743963 461409530 /nfs/dbraw/zinc/40/95/30/461409530.db2.gz MBOPNLBELUGCCE-AYHJJNSGSA-N 1 3 342.462 3.425 10 0 EGAEHO CC[N@H+](CCCNC(=O)[C@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000653201015 461556717 /nfs/dbraw/zinc/55/67/17/461556717.db2.gz WYXKGKJBVGMHOW-LJQANCHMSA-N 1 3 349.494 3.029 10 0 EGAEHO CC[N@@H+](CCCNC(=O)[C@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000653201015 461556724 /nfs/dbraw/zinc/55/67/24/461556724.db2.gz WYXKGKJBVGMHOW-LJQANCHMSA-N 1 3 349.494 3.029 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@H](c2ccccc2)C1 ZINC000647249210 461589198 /nfs/dbraw/zinc/58/91/98/461589198.db2.gz JGNILGJXYMDCRT-AEFFLSMTSA-N 1 3 336.439 3.105 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2ccc(C(F)F)nc2)[C@H](c2ccccc2)C1 ZINC000631167492 461604334 /nfs/dbraw/zinc/60/43/34/461604334.db2.gz XYTIPKSLUPDUFQ-SJORKVTESA-N 1 3 331.410 3.454 10 0 EGAEHO CO[C@@H](C[N@H+](C)CCC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000660165822 461616654 /nfs/dbraw/zinc/61/66/54/461616654.db2.gz HRCPEVBPWCLSOB-FQEVSTJZSA-N 1 3 331.504 3.435 10 0 EGAEHO CO[C@@H](C[N@@H+](C)CCC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000660165822 461616663 /nfs/dbraw/zinc/61/66/63/461616663.db2.gz HRCPEVBPWCLSOB-FQEVSTJZSA-N 1 3 331.504 3.435 10 0 EGAEHO CCn1c2ccccc2nc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544393 461760298 /nfs/dbraw/zinc/76/02/98/461760298.db2.gz ZRMACMWKOJIQIZ-IAGOWNOFSA-N 1 3 326.488 3.268 10 0 EGAEHO c1ccc2c(c1)O[C@H](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CS2 ZINC000647800936 461842907 /nfs/dbraw/zinc/84/29/07/461842907.db2.gz MKPXEMMAEMVFHZ-YYIAUSFCSA-N 1 3 332.513 3.440 10 0 EGAEHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000639330889 461864553 /nfs/dbraw/zinc/86/45/53/461864553.db2.gz YFQFJOXCBFRWPG-VQTJNVASSA-N 1 3 328.500 3.303 10 0 EGAEHO c1cc(CNCCCCC[NH+]2CCCCC2)n(-c2ccncc2)n1 ZINC000657359321 462070653 /nfs/dbraw/zinc/07/06/53/462070653.db2.gz SWVOSUICPGCWEV-UHFFFAOYSA-N 1 3 327.476 3.013 10 0 EGAEHO Cc1ccc2cc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)[nH]c2c1 ZINC000657431928 462120156 /nfs/dbraw/zinc/12/01/56/462120156.db2.gz LCYKYCUZMPOVIB-NRFANRHFSA-N 1 3 349.478 3.333 10 0 EGAEHO Cc1ccc2cc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)[nH]c2c1 ZINC000657431928 462120163 /nfs/dbraw/zinc/12/01/63/462120163.db2.gz LCYKYCUZMPOVIB-NRFANRHFSA-N 1 3 349.478 3.333 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccnc4ccccc34)cc2)C1 ZINC000657593590 462194665 /nfs/dbraw/zinc/19/46/65/462194665.db2.gz ASSLNJNLIOMUNJ-HXUWFJFHSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccnc4ccccc34)cc2)C1 ZINC000657593590 462194669 /nfs/dbraw/zinc/19/46/69/462194669.db2.gz ASSLNJNLIOMUNJ-HXUWFJFHSA-N 1 3 347.462 3.091 10 0 EGAEHO C[C@H](CO)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836980 462210203 /nfs/dbraw/zinc/21/02/03/462210203.db2.gz YLGFSEUAQGNKIR-PXNSSMCTSA-N 1 3 330.516 3.237 10 0 EGAEHO C[C@H](CO)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836980 462210206 /nfs/dbraw/zinc/21/02/06/462210206.db2.gz YLGFSEUAQGNKIR-PXNSSMCTSA-N 1 3 330.516 3.237 10 0 EGAEHO CC[C@H](COCC1CC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236656 462363175 /nfs/dbraw/zinc/36/31/75/462363175.db2.gz RQCNXWVSAIFMEH-IMFGXOCKSA-N 1 3 330.472 3.037 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000658124911 462394736 /nfs/dbraw/zinc/39/47/36/462394736.db2.gz RJODNOSYIREXMS-QXSJWSMHSA-N 1 3 334.426 3.339 10 0 EGAEHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658143569 462406554 /nfs/dbraw/zinc/40/65/54/462406554.db2.gz ZJAFCAXQTPSITJ-BSLALVQMSA-N 1 3 336.479 3.276 10 0 EGAEHO FC1(F)C[C@@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168632 462416947 /nfs/dbraw/zinc/41/69/47/462416947.db2.gz IPUUIELSWNNOCW-FJIDUMEYSA-N 1 3 336.426 3.196 10 0 EGAEHO FC1(F)C[C@@H]1OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658168632 462416951 /nfs/dbraw/zinc/41/69/51/462416951.db2.gz IPUUIELSWNNOCW-FJIDUMEYSA-N 1 3 336.426 3.196 10 0 EGAEHO O[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248114 462442428 /nfs/dbraw/zinc/44/24/28/462442428.db2.gz CBNFRNAOFBKKJT-USYVTKNRSA-N 1 3 326.484 3.075 10 0 EGAEHO O[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000658248114 462442433 /nfs/dbraw/zinc/44/24/33/462442433.db2.gz CBNFRNAOFBKKJT-USYVTKNRSA-N 1 3 326.484 3.075 10 0 EGAEHO C[C@@H](CCSc1ccccc1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106095 462518976 /nfs/dbraw/zinc/51/89/76/462518976.db2.gz KOTRJVDKDHFLAH-KRWDZBQOSA-N 1 3 334.529 3.354 10 0 EGAEHO CN1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000180139096 547053236 /nfs/dbraw/zinc/05/32/36/547053236.db2.gz WASIGCXEHVAHAI-UDEWTMQYSA-N 1 3 327.516 3.113 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCN(C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542566 547823571 /nfs/dbraw/zinc/82/35/71/547823571.db2.gz RMXMIUOQRVMBNL-YUXAGFNASA-N 1 3 339.527 3.113 10 0 EGAEHO CC1(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000434763745 547900753 /nfs/dbraw/zinc/90/07/53/547900753.db2.gz GKDKWNLYGCSHBU-UHFFFAOYSA-N 1 3 329.532 3.364 10 0 EGAEHO Cn1ccnc1C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000675919431 549005432 /nfs/dbraw/zinc/00/54/32/549005432.db2.gz IIXIDRFLDIOEMY-HXUWFJFHSA-N 1 3 338.499 3.168 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000676045867 549027123 /nfs/dbraw/zinc/02/71/23/549027123.db2.gz ZGQJRBWFUATTMO-SFHVURJKSA-N 1 3 332.488 3.208 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@H]2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC000679022338 549617150 /nfs/dbraw/zinc/61/71/50/549617150.db2.gz DATYIKYOXODCCE-UFYCRDLUSA-N 1 3 348.494 3.217 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@H]2CC[N@H+]4CCC[C@H]4C2)C3)cc1 ZINC000679022338 549617152 /nfs/dbraw/zinc/61/71/52/549617152.db2.gz DATYIKYOXODCCE-UFYCRDLUSA-N 1 3 348.494 3.217 10 0 EGAEHO CN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC1(C)C ZINC000871152266 1296241009 /nfs/dbraw/zinc/24/10/09/1296241009.db2.gz UVJXZFJODCDCOL-UHFFFAOYSA-N 1 3 343.515 3.229 10 0 EGAEHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872032535 1296682056 /nfs/dbraw/zinc/68/20/56/1296682056.db2.gz VXYGVRMECRZNGJ-HBMCJLEFSA-N 1 3 330.516 3.346 10 0 EGAEHO CC[NH+](CC)CCCN[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029292 1297723573 /nfs/dbraw/zinc/72/35/73/1297723573.db2.gz IUGMHPGBYQIMGT-HZPDHXFCSA-N 1 3 327.513 3.096 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709994708 1298255287 /nfs/dbraw/zinc/25/52/87/1298255287.db2.gz DSKFECRMPSGLQX-PBHICJAKSA-N 1 3 337.305 3.456 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709994715 1298255509 /nfs/dbraw/zinc/25/55/09/1298255509.db2.gz DSKFECRMPSGLQX-YOEHRIQHSA-N 1 3 337.305 3.456 10 0 EGAEHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284259 1298280048 /nfs/dbraw/zinc/28/00/48/1298280048.db2.gz WXYGHKFQJMXAFE-YESZJQIVSA-N 1 3 339.524 3.238 10 0 EGAEHO CN(C)C1CC[NH+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000876597361 1298855297 /nfs/dbraw/zinc/85/52/97/1298855297.db2.gz XDJXOADIIWMVGJ-INIZCTEOSA-N 1 3 339.524 3.050 10 0 EGAEHO Cc1noc2ncc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000894598271 1308971616 /nfs/dbraw/zinc/97/16/16/1308971616.db2.gz XVGISYDYLPTEOC-QGZVFWFLSA-N 1 3 336.439 3.143 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc1 ZINC000897817842 1310478549 /nfs/dbraw/zinc/47/85/49/1310478549.db2.gz BROALDJEGAEKFW-OLJMEDMQSA-N 1 3 338.495 3.053 10 0 EGAEHO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504115 1322764897 /nfs/dbraw/zinc/76/48/97/1322764897.db2.gz NYKYFQJTIJZBJF-BFYDXBDKSA-N 1 3 325.456 3.084 10 0 EGAEHO c1ccc2c(c1)CC[C@@H]2CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284763 1329084864 /nfs/dbraw/zinc/08/48/64/1329084864.db2.gz BDMQNGMMTACWRJ-LJQANCHMSA-N 1 3 328.500 3.293 10 0 EGAEHO c1ccc2c(c1)CC[C@@H]2CCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284763 1329084869 /nfs/dbraw/zinc/08/48/69/1329084869.db2.gz BDMQNGMMTACWRJ-LJQANCHMSA-N 1 3 328.500 3.293 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C[C@@H](C)O1 ZINC000925441279 1325151594 /nfs/dbraw/zinc/15/15/94/1325151594.db2.gz YZZKSLOIQDNUST-WERVVEIQSA-N 1 3 345.531 3.272 10 0 EGAEHO COc1cccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1OC ZINC000925476437 1325167249 /nfs/dbraw/zinc/16/72/49/1325167249.db2.gz BZFPCEWYCAIISU-ZWKOTPCHSA-N 1 3 332.488 3.004 10 0 EGAEHO CC1(C)[C@H]([NH2+]CCCCOCCc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925477955 1325167623 /nfs/dbraw/zinc/16/76/23/1325167623.db2.gz GLMFKHRHQRVOIS-ZCNNSNEGSA-N 1 3 330.516 3.392 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000925530642 1325194058 /nfs/dbraw/zinc/19/40/58/1325194058.db2.gz GFKXPZUAIYSBAX-UMVBOHGHSA-N 1 3 346.393 3.114 10 0 EGAEHO COC(=O)Nc1ccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925579927 1325219557 /nfs/dbraw/zinc/21/95/57/1325219557.db2.gz IQRNCIOXOOKKBM-MOPGFXCFSA-N 1 3 345.487 3.165 10 0 EGAEHO O[C@H](c1ccccc1)C1(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925624214 1325235366 /nfs/dbraw/zinc/23/53/66/1325235366.db2.gz WVRZSGVZXDGWLC-HSALFYBXSA-N 1 3 328.500 3.258 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)s1 ZINC000925777536 1325297190 /nfs/dbraw/zinc/29/71/90/1325297190.db2.gz FGFBUMZIZJECPH-RKDXNWHRSA-N 1 3 339.249 3.406 10 0 EGAEHO CC(C)[C@H](COCc1ccccc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777744 1325297601 /nfs/dbraw/zinc/29/76/01/1325297601.db2.gz QGCLGVCJXJKPDS-IRXDYDNUSA-N 1 3 326.431 3.062 10 0 EGAEHO COc1cc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)ccc1SC ZINC000925781177 1325298837 /nfs/dbraw/zinc/29/88/37/1325298837.db2.gz HNBWFHIBOIFVRZ-AAEUAGOBSA-N 1 3 330.444 3.313 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H](C3CC3)C3CCOCC3)CC2)ccn1 ZINC000926691432 1327668582 /nfs/dbraw/zinc/66/85/82/1327668582.db2.gz BFSFUHOPMJONLQ-OAQYLSRUSA-N 1 3 343.515 3.088 10 0 EGAEHO CCOC(=O)c1cccc(CNC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000862283403 1329473861 /nfs/dbraw/zinc/47/38/61/1329473861.db2.gz FLXVOXGRVHDFAP-UHFFFAOYSA-N 1 3 345.487 3.145 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)ccn1 ZINC000866388133 1330105255 /nfs/dbraw/zinc/10/52/55/1330105255.db2.gz BVBUJKFUWFTUCA-SFTDATJTSA-N 1 3 343.515 3.231 10 0 EGAEHO CC(C)(C)[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000866704597 1330142969 /nfs/dbraw/zinc/14/29/69/1330142969.db2.gz OWRSMWYXUGIYJG-SFHVURJKSA-N 1 3 337.895 3.366 10 0 EGAEHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000866704597 1330142970 /nfs/dbraw/zinc/14/29/70/1330142970.db2.gz OWRSMWYXUGIYJG-SFHVURJKSA-N 1 3 337.895 3.366 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCN1CCC1CCCCC1)[NH+]1CCCC1 ZINC001323278258 1387322364 /nfs/dbraw/zinc/32/23/64/1387322364.db2.gz OODYZPWBMKAQCB-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641014 1387415805 /nfs/dbraw/zinc/41/58/05/1387415805.db2.gz GRAKKCKNPWKJIG-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641014 1387415806 /nfs/dbraw/zinc/41/58/06/1387415806.db2.gz GRAKKCKNPWKJIG-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC(C)C3)C2)C1 ZINC001324556522 1387672250 /nfs/dbraw/zinc/67/22/50/1387672250.db2.gz IAIIGELQIRTQOJ-GRERDSQWSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC(C)C3)C2)C1 ZINC001324556522 1387672261 /nfs/dbraw/zinc/67/22/61/1387672261.db2.gz IAIIGELQIRTQOJ-GRERDSQWSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001324935511 1387831339 /nfs/dbraw/zinc/83/13/39/1387831339.db2.gz FQIYGFIJLJPDMV-AZUAARDMSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001324935511 1387831344 /nfs/dbraw/zinc/83/13/44/1387831344.db2.gz FQIYGFIJLJPDMV-AZUAARDMSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H](c1ccccc1F)N1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958760 1387853182 /nfs/dbraw/zinc/85/31/82/1387853182.db2.gz WJCLATJUVWIJPB-OXJNMPFZSA-N 1 3 349.494 3.057 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001325630917 1388017265 /nfs/dbraw/zinc/01/72/65/1388017265.db2.gz YMMCWMXLHYAVHS-NQYYFHDYSA-N 1 3 349.563 3.122 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001325630917 1388017271 /nfs/dbraw/zinc/01/72/71/1388017271.db2.gz YMMCWMXLHYAVHS-NQYYFHDYSA-N 1 3 349.563 3.122 10 0 EGAEHO C[C@@H](NCCOC1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812557 1371407523 /nfs/dbraw/zinc/40/75/23/1371407523.db2.gz QFQDMIAELWEJFS-HZPDHXFCSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@@H](NCCOC1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812557 1371407527 /nfs/dbraw/zinc/40/75/27/1371407527.db2.gz QFQDMIAELWEJFS-HZPDHXFCSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@@H]([NH2+]CCOC1CCSCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001119812557 1371407530 /nfs/dbraw/zinc/40/75/30/1371407530.db2.gz QFQDMIAELWEJFS-HZPDHXFCSA-N 1 3 326.550 3.141 10 0 EGAEHO CN(CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1)CC(C)(C)C ZINC001326888825 1388338994 /nfs/dbraw/zinc/33/89/94/1388338994.db2.gz CVLNGLKRGXEANW-UHFFFAOYSA-N 1 3 349.563 3.483 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001265978105 1377174815 /nfs/dbraw/zinc/17/48/15/1377174815.db2.gz BAVZPAJWQUZOIV-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001265978105 1377174820 /nfs/dbraw/zinc/17/48/20/1377174820.db2.gz BAVZPAJWQUZOIV-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394980 1377387119 /nfs/dbraw/zinc/38/71/19/1377387119.db2.gz XKNZDHMYRBXBHU-HOTGVXAUSA-N 1 3 342.487 3.141 10 0 EGAEHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394980 1377387124 /nfs/dbraw/zinc/38/71/24/1377387124.db2.gz XKNZDHMYRBXBHU-HOTGVXAUSA-N 1 3 342.487 3.141 10 0 EGAEHO C[C@@H](CN(C)C/C=C\c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741544 1377523957 /nfs/dbraw/zinc/52/39/57/1377523957.db2.gz TZGPBBFEYFGWSL-GFBZKKKVSA-N 1 3 343.515 3.011 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001280264740 1378338546 /nfs/dbraw/zinc/33/85/46/1378338546.db2.gz ZNONRQYWXCPTQU-RTBURBONSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001282957055 1378683833 /nfs/dbraw/zinc/68/38/33/1378683833.db2.gz CZHLURIHEFLSLA-SLFFLAALSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001282957055 1378683838 /nfs/dbraw/zinc/68/38/38/1378683838.db2.gz CZHLURIHEFLSLA-SLFFLAALSA-N 1 3 347.547 3.044 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001283343201 1378826634 /nfs/dbraw/zinc/82/66/34/1378826634.db2.gz DPKAPVUDCFQFPX-SFHVURJKSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001283343201 1378826638 /nfs/dbraw/zinc/82/66/38/1378826638.db2.gz DPKAPVUDCFQFPX-SFHVURJKSA-N 1 3 345.531 3.319 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698610928 1406240314 /nfs/dbraw/zinc/24/03/14/1406240314.db2.gz XZZOKRDYTFKGKH-PKOBYXMFSA-N 1 3 345.531 3.415 10 0 EGAEHO CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1CCC ZINC001328686751 1388807741 /nfs/dbraw/zinc/80/77/41/1388807741.db2.gz OUVDDDVIYPCGHX-HSALFYBXSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001316630345 1384493920 /nfs/dbraw/zinc/49/39/20/1384493920.db2.gz IZNYPQXEDMWUQN-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001316662246 1384510418 /nfs/dbraw/zinc/51/04/18/1384510418.db2.gz GCCTZKMIICIVPS-GBESFXJTSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCC2CCCC2)C1 ZINC001316804584 1384594733 /nfs/dbraw/zinc/59/47/33/1384594733.db2.gz RQGNHRZSWXLNIE-ICSRJNTNSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCC2CCCC2)C1 ZINC001316804584 1384594736 /nfs/dbraw/zinc/59/47/36/1384594736.db2.gz RQGNHRZSWXLNIE-ICSRJNTNSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001317099361 1384862434 /nfs/dbraw/zinc/86/24/34/1384862434.db2.gz BSQRQVQQKRJYOR-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCC3)CC[C@H]21 ZINC001317099361 1384862438 /nfs/dbraw/zinc/86/24/38/1384862438.db2.gz BSQRQVQQKRJYOR-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO C[C@@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407039 1385119154 /nfs/dbraw/zinc/11/91/54/1385119154.db2.gz VFDVUKUPQCAWLW-KXBFYZLASA-N 1 3 343.531 3.120 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccccc1F)N(C)C ZINC001317424909 1385131464 /nfs/dbraw/zinc/13/14/64/1385131464.db2.gz VEXMRJWNDLDGRN-PKOBYXMFSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccccc1F)N(C)C ZINC001317424909 1385131465 /nfs/dbraw/zinc/13/14/65/1385131465.db2.gz VEXMRJWNDLDGRN-PKOBYXMFSA-N 1 3 349.494 3.027 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001317435097 1385138939 /nfs/dbraw/zinc/13/89/39/1385138939.db2.gz PIENXHVETIUZBF-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001317435097 1385138940 /nfs/dbraw/zinc/13/89/40/1385138940.db2.gz PIENXHVETIUZBF-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N(C)C ZINC001176432279 1385585840 /nfs/dbraw/zinc/58/58/40/1385585840.db2.gz FJVJTXYYXYCADI-PMACEKPBSA-N 1 3 345.531 3.086 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)N(C)C ZINC001176432279 1385585842 /nfs/dbraw/zinc/58/58/42/1385585842.db2.gz FJVJTXYYXYCADI-PMACEKPBSA-N 1 3 345.531 3.086 10 0 EGAEHO CO[C@H]1CC[C@@H]1[N@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914898 1385742143 /nfs/dbraw/zinc/74/21/43/1385742143.db2.gz FOTQAUFKUBWGRX-SFTDATJTSA-N 1 3 330.516 3.440 10 0 EGAEHO CO[C@H]1CC[C@@H]1[N@@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001176914898 1385742160 /nfs/dbraw/zinc/74/21/60/1385742160.db2.gz FOTQAUFKUBWGRX-SFTDATJTSA-N 1 3 330.516 3.440 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581609 1385769342 /nfs/dbraw/zinc/76/93/42/1385769342.db2.gz KRCMMJMLTWAFOU-MJGOQNOKSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001318859707 1385863787 /nfs/dbraw/zinc/86/37/87/1385863787.db2.gz JASXCDZCPWHSEG-RBUKOAKNSA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001319966959 1386423908 /nfs/dbraw/zinc/42/39/08/1386423908.db2.gz ASUDZARRKMPZFS-SFHVURJKSA-N 1 3 339.568 3.273 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(C)c1 ZINC001321419327 1386900468 /nfs/dbraw/zinc/90/04/68/1386900468.db2.gz OUSFCJPANYAUQZ-YKMDAGRBSA-N 1 3 343.515 3.192 10 0 EGAEHO C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001322158538 1387080417 /nfs/dbraw/zinc/08/04/17/1387080417.db2.gz TYGXRWXSSQOOOI-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001322158538 1387080420 /nfs/dbraw/zinc/08/04/20/1387080420.db2.gz TYGXRWXSSQOOOI-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001329202968 1389020875 /nfs/dbraw/zinc/02/08/75/1389020875.db2.gz PIPLKXAEZQSVAM-IRXDYDNUSA-N 1 3 345.531 3.425 10 0 EGAEHO CC[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001329341825 1389067973 /nfs/dbraw/zinc/06/79/73/1389067973.db2.gz HFDNXLJKPDSYPN-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001698713296 1406355798 /nfs/dbraw/zinc/35/57/98/1406355798.db2.gz UMCFRLFNLIGFIT-WGSAOQKQSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC001329622797 1389189071 /nfs/dbraw/zinc/18/90/71/1389189071.db2.gz GPQVRHRMUMGNAP-QGZVFWFLSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001329622797 1389189073 /nfs/dbraw/zinc/18/90/73/1389189073.db2.gz GPQVRHRMUMGNAP-QGZVFWFLSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)[C@H](C(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1)N(C)C ZINC001698724447 1406373212 /nfs/dbraw/zinc/37/32/12/1406373212.db2.gz LAKQPTPMHUISGE-GOSISDBHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001331323304 1389701600 /nfs/dbraw/zinc/70/16/00/1389701600.db2.gz CTYFMZDZSMUVPJ-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001331358177 1389717338 /nfs/dbraw/zinc/71/73/38/1389717338.db2.gz AOTQPMGMCZDNAJ-LJQANCHMSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C)N(C)C ZINC001332859432 1390202993 /nfs/dbraw/zinc/20/29/93/1390202993.db2.gz HXECTZOGZPFDJI-ROUUACIJSA-N 1 3 337.552 3.338 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001332900246 1390212990 /nfs/dbraw/zinc/21/29/90/1390212990.db2.gz TXRSSMVLWVOELO-SJORKVTESA-N 1 3 325.541 3.026 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049940 1390467457 /nfs/dbraw/zinc/46/74/57/1390467457.db2.gz VKTPEDJBCZEFNP-RZQQEMMASA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)O2 ZINC001334049940 1390467461 /nfs/dbraw/zinc/46/74/61/1390467461.db2.gz VKTPEDJBCZEFNP-RZQQEMMASA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C3CCC3)C1)O2 ZINC001334049940 1390467463 /nfs/dbraw/zinc/46/74/63/1390467463.db2.gz VKTPEDJBCZEFNP-RZQQEMMASA-N 1 3 344.499 3.241 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCC)C1 ZINC001479616702 1392289917 /nfs/dbraw/zinc/28/99/17/1392289917.db2.gz HHQLWJHITLGEEZ-MUGJNUQGSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCC)C1 ZINC001479616702 1392289918 /nfs/dbraw/zinc/28/99/18/1392289918.db2.gz HHQLWJHITLGEEZ-MUGJNUQGSA-N 1 3 349.563 3.077 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001479985667 1392518334 /nfs/dbraw/zinc/51/83/34/1392518334.db2.gz TXBZLPFJTVLEOP-YSKLNCTFSA-N 1 3 347.547 3.045 10 0 EGAEHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)N(C)C ZINC001480182324 1392614073 /nfs/dbraw/zinc/61/40/73/1392614073.db2.gz ORHQDFNCKUUKTP-IPQPSQTFSA-N 1 3 335.536 3.019 10 0 EGAEHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)N(C)C ZINC001480182324 1392614075 /nfs/dbraw/zinc/61/40/75/1392614075.db2.gz ORHQDFNCKUUKTP-IPQPSQTFSA-N 1 3 335.536 3.019 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001480349617 1392699097 /nfs/dbraw/zinc/69/90/97/1392699097.db2.gz IBTYCFXSSJCREI-FQEVSTJZSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001698872981 1406593978 /nfs/dbraw/zinc/59/39/78/1406593978.db2.gz HCVJECPCJOMANP-PKOBYXMFSA-N 1 3 349.563 3.029 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCC1 ZINC001481053545 1393107892 /nfs/dbraw/zinc/10/78/92/1393107892.db2.gz TVFRSGNZHNYAAB-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1)N1CCCC1 ZINC001481053545 1393107893 /nfs/dbraw/zinc/10/78/93/1393107893.db2.gz TVFRSGNZHNYAAB-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)CCC1 ZINC001481367334 1394207162 /nfs/dbraw/zinc/20/71/62/1394207162.db2.gz QEADFDCCFAZVDQ-SFHVURJKSA-N 1 3 345.531 3.354 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001481407023 1394261023 /nfs/dbraw/zinc/26/10/23/1394261023.db2.gz YKXZFUANKAPHGC-UXHICEINSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001481407023 1394261036 /nfs/dbraw/zinc/26/10/36/1394261036.db2.gz YKXZFUANKAPHGC-UXHICEINSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462146 1394319211 /nfs/dbraw/zinc/31/92/11/1394319211.db2.gz PZCVQZPIAMRPAL-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462146 1394319217 /nfs/dbraw/zinc/31/92/17/1394319217.db2.gz PZCVQZPIAMRPAL-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N(CC)CC ZINC001481528226 1394382626 /nfs/dbraw/zinc/38/26/26/1394382626.db2.gz BBMPRXSWEFDATG-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N(CC)CC ZINC001481528226 1394382632 /nfs/dbraw/zinc/38/26/32/1394382632.db2.gz BBMPRXSWEFDATG-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001491153293 1394452390 /nfs/dbraw/zinc/45/23/90/1394452390.db2.gz KBUWRZAMVWZJRB-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001481959729 1394620267 /nfs/dbraw/zinc/62/02/67/1394620267.db2.gz AYWPULONEYMHNY-DNVCBOLYSA-N 1 3 334.508 3.106 10 0 EGAEHO CC[C@H](C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001482009075 1394669006 /nfs/dbraw/zinc/66/90/06/1394669006.db2.gz BXDZTZXNPGKCHB-PKOBYXMFSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001482431317 1394991616 /nfs/dbraw/zinc/99/16/16/1394991616.db2.gz AYDOWNBHOMBDRM-IEBWSBKVSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001482431319 1394992305 /nfs/dbraw/zinc/99/23/05/1394992305.db2.gz AYDOWNBHOMBDRM-PKOBYXMFSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)CC(C)(C)C ZINC001483848082 1395114769 /nfs/dbraw/zinc/11/47/69/1395114769.db2.gz MABRXVZAXNCIIR-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)CC(C)(C)C ZINC001483848082 1395114771 /nfs/dbraw/zinc/11/47/71/1395114771.db2.gz MABRXVZAXNCIIR-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC(C)(C)C)C2 ZINC001484321494 1395339684 /nfs/dbraw/zinc/33/96/84/1395339684.db2.gz LNKIFGTXCOIAMD-BZSNNMDCSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC(C)(C)C)C2 ZINC001484321494 1395339687 /nfs/dbraw/zinc/33/96/87/1395339687.db2.gz LNKIFGTXCOIAMD-BZSNNMDCSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001484828496 1395566463 /nfs/dbraw/zinc/56/64/63/1395566463.db2.gz DKAUEYJDNSSBKX-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001484828496 1395566467 /nfs/dbraw/zinc/56/64/67/1395566467.db2.gz DKAUEYJDNSSBKX-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001486208229 1396182415 /nfs/dbraw/zinc/18/24/15/1396182415.db2.gz OPTXMQXILRATQH-IAGOWNOFSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CCC(C)(C)C)CC1)N(C)C ZINC001505399317 1396287161 /nfs/dbraw/zinc/28/71/61/1396287161.db2.gz HECBJQMJFNLOKW-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)CCC(C)(C)C)CC1)N(C)C ZINC001505399317 1396287162 /nfs/dbraw/zinc/28/71/62/1396287162.db2.gz HECBJQMJFNLOKW-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494876843 1396505635 /nfs/dbraw/zinc/50/56/35/1396505635.db2.gz RGOPMUWVJRSJJU-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494876843 1396505636 /nfs/dbraw/zinc/50/56/36/1396505636.db2.gz RGOPMUWVJRSJJU-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCCC(C)C)C2)CC1)N(C)C ZINC001495602288 1396548244 /nfs/dbraw/zinc/54/82/44/1396548244.db2.gz IQXNMRYNSZJPMC-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCCC(C)C)C2)CC1)N(C)C ZINC001495602288 1396548246 /nfs/dbraw/zinc/54/82/46/1396548246.db2.gz IQXNMRYNSZJPMC-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001496491643 1396709623 /nfs/dbraw/zinc/70/96/23/1396709623.db2.gz NVZDBYRQNDWUGR-XLIONFOSSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001497689614 1396785002 /nfs/dbraw/zinc/78/50/02/1396785002.db2.gz AIKKIZNKTDUOJG-HLTKQCFESA-N 1 3 349.563 3.338 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001689146795 1396947397 /nfs/dbraw/zinc/94/73/97/1396947397.db2.gz NOIZVCMWXUNTLE-DFQSSKMNSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001689146795 1396947402 /nfs/dbraw/zinc/94/74/02/1396947402.db2.gz NOIZVCMWXUNTLE-DFQSSKMNSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001689180352 1396961118 /nfs/dbraw/zinc/96/11/18/1396961118.db2.gz LPZBEUICXVLROJ-ZWKOTPCHSA-N 1 3 335.536 3.164 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001689180352 1396961119 /nfs/dbraw/zinc/96/11/19/1396961119.db2.gz LPZBEUICXVLROJ-ZWKOTPCHSA-N 1 3 335.536 3.164 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001699023495 1406859212 /nfs/dbraw/zinc/85/92/12/1406859212.db2.gz UHLTYAYXENEVNC-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001699023495 1406859220 /nfs/dbraw/zinc/85/92/20/1406859220.db2.gz UHLTYAYXENEVNC-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001689271122 1397005134 /nfs/dbraw/zinc/00/51/34/1397005134.db2.gz CONYUSGMBPBAJS-ZWKOTPCHSA-N 1 3 325.541 3.124 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001499249941 1397068164 /nfs/dbraw/zinc/06/81/64/1397068164.db2.gz XCJQHFMJSIMLPM-QGZVFWFLSA-N 1 3 343.515 3.087 10 0 EGAEHO CCc1ccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001689891131 1404187357 /nfs/dbraw/zinc/18/73/57/1404187357.db2.gz QOFHNPYULJGUST-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CCc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001689891131 1404187359 /nfs/dbraw/zinc/18/73/59/1404187359.db2.gz QOFHNPYULJGUST-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CCc1cccc(CN2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001690049380 1404281919 /nfs/dbraw/zinc/28/19/19/1404281919.db2.gz PBZFSBNMMKJNFH-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001690381326 1404513652 /nfs/dbraw/zinc/51/36/52/1404513652.db2.gz LYNCNZSRVHEYRS-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001690381326 1404513656 /nfs/dbraw/zinc/51/36/56/1404513656.db2.gz LYNCNZSRVHEYRS-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001690628382 1404663295 /nfs/dbraw/zinc/66/32/95/1404663295.db2.gz LUOOJAQCFPSLLY-FXAWDEMLSA-N 1 3 345.531 3.106 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001691194033 1405132218 /nfs/dbraw/zinc/13/22/18/1405132218.db2.gz KAFCOZQOBJLPBE-QZTJIDSGSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001691194033 1405132220 /nfs/dbraw/zinc/13/22/20/1405132220.db2.gz KAFCOZQOBJLPBE-QZTJIDSGSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691586278 1405347388 /nfs/dbraw/zinc/34/73/88/1405347388.db2.gz XRYPBVBUZZUIJL-ZCNNSNEGSA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691637026 1405373267 /nfs/dbraw/zinc/37/32/67/1405373267.db2.gz QXTVKWQGXUXYSV-ZSQQTYLHSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001691637025 1405373329 /nfs/dbraw/zinc/37/33/29/1405373329.db2.gz QXTVKWQGXUXYSV-YMHTTXFNSA-N 1 3 337.552 3.290 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001691683237 1405418702 /nfs/dbraw/zinc/41/87/02/1405418702.db2.gz RIJDZIFFSKKASN-QZTJIDSGSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001692012654 1405731656 /nfs/dbraw/zinc/73/16/56/1405731656.db2.gz IEMALARPSNZEPP-XLIONFOSSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001692121740 1405784055 /nfs/dbraw/zinc/78/40/55/1405784055.db2.gz XJQGIGZGQAYVOC-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692257961 1405886411 /nfs/dbraw/zinc/88/64/11/1405886411.db2.gz YESSTEPMNANTJA-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692257961 1405886417 /nfs/dbraw/zinc/88/64/17/1405886417.db2.gz YESSTEPMNANTJA-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001692261900 1405892283 /nfs/dbraw/zinc/89/22/83/1405892283.db2.gz HWBCVCRWAJFQKC-MOPGFXCFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001692261900 1405892291 /nfs/dbraw/zinc/89/22/91/1405892291.db2.gz HWBCVCRWAJFQKC-MOPGFXCFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368112 1405977451 /nfs/dbraw/zinc/97/74/51/1405977451.db2.gz ICCQMUKRKYOLSX-QACJDALUSA-N 1 3 347.547 3.329 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368112 1405977452 /nfs/dbraw/zinc/97/74/52/1405977452.db2.gz ICCQMUKRKYOLSX-QACJDALUSA-N 1 3 347.547 3.329 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001698607690 1406235832 /nfs/dbraw/zinc/23/58/32/1406235832.db2.gz BYGSTYDJWGZRHA-GOSISDBHSA-N 1 3 335.536 3.236 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001732154554 1428397946 /nfs/dbraw/zinc/39/79/46/1428397946.db2.gz HTNWSXAYWQHODO-QWFCFKBJSA-N 1 3 345.531 3.141 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001732154554 1428397951 /nfs/dbraw/zinc/39/79/51/1428397951.db2.gz HTNWSXAYWQHODO-QWFCFKBJSA-N 1 3 345.531 3.141 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176361 1428422158 /nfs/dbraw/zinc/42/21/58/1428422158.db2.gz SUYUPSQIUKXDSN-WOJBJXKFSA-N 1 3 347.547 3.140 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200306 1428451084 /nfs/dbraw/zinc/45/10/84/1428451084.db2.gz XKGAUAOBFBEMLA-MOPGFXCFSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001732223512 1428472089 /nfs/dbraw/zinc/47/20/89/1428472089.db2.gz UGWXFDFHRRPOSV-FQEVSTJZSA-N 1 3 341.499 3.164 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001732228735 1428476391 /nfs/dbraw/zinc/47/63/91/1428476391.db2.gz JAOLGSXGGGIMCF-GOSISDBHSA-N 1 3 349.563 3.314 10 0 EGAEHO CCc1cccc(C[NH2+]CC2(NC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001732236928 1428482904 /nfs/dbraw/zinc/48/29/04/1428482904.db2.gz HFTBRBYPINHOOS-UHFFFAOYSA-N 1 3 345.531 3.108 10 0 EGAEHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CCC(C)(C)C)CCCC[C@H]1C ZINC001732261888 1428502387 /nfs/dbraw/zinc/50/23/87/1428502387.db2.gz OZNAEWVPIRRYRY-YLJYHZDGSA-N 1 3 339.568 3.419 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)CC(C)(C)C ZINC001732310067 1428523851 /nfs/dbraw/zinc/52/38/51/1428523851.db2.gz LWDVMFSEQDEUKV-IYARVYRRSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001732328696 1428535562 /nfs/dbraw/zinc/53/55/62/1428535562.db2.gz GIPHFKRHTQUTLP-CQQBRXBZSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001732373652 1428553724 /nfs/dbraw/zinc/55/37/24/1428553724.db2.gz RDPLOGKIGWXTSX-KRWDZBQOSA-N 1 3 341.499 3.022 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CCCCN1C(C)C ZINC001732470287 1428598857 /nfs/dbraw/zinc/59/88/57/1428598857.db2.gz RLPOSCQSXNZRBI-RBUKOAKNSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001699100672 1412510300 /nfs/dbraw/zinc/51/03/00/1412510300.db2.gz RQRDYEVPGYXYSA-MRXNPFEDSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699200271 1412569570 /nfs/dbraw/zinc/56/95/70/1412569570.db2.gz CZGIYSVUIYBGGL-ULQDDVLXSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699200271 1412569575 /nfs/dbraw/zinc/56/95/75/1412569575.db2.gz CZGIYSVUIYBGGL-ULQDDVLXSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672650 1413063155 /nfs/dbraw/zinc/06/31/55/1413063155.db2.gz CBCLFJJOUUCEND-IEBWSBKVSA-N 1 3 346.519 3.236 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672650 1413063158 /nfs/dbraw/zinc/06/31/58/1413063158.db2.gz CBCLFJJOUUCEND-IEBWSBKVSA-N 1 3 346.519 3.236 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697920 1413108910 /nfs/dbraw/zinc/10/89/10/1413108910.db2.gz VNRPMCDYVPXKLT-GIWCCYDRSA-N 1 3 349.563 3.389 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697920 1413108915 /nfs/dbraw/zinc/10/89/15/1413108915.db2.gz VNRPMCDYVPXKLT-GIWCCYDRSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001699776136 1413185856 /nfs/dbraw/zinc/18/58/56/1413185856.db2.gz YXONRVWQIZUWTM-DHZHZOJOSA-N 1 3 343.515 3.011 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1)N(C)C ZINC001699796859 1413206286 /nfs/dbraw/zinc/20/62/86/1413206286.db2.gz QTGRYGNZNGXLGG-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001700184848 1413603681 /nfs/dbraw/zinc/60/36/81/1413603681.db2.gz OXTJDDDZUAMYIZ-LJQANCHMSA-N 1 3 349.494 3.028 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001700228812 1413685410 /nfs/dbraw/zinc/68/54/10/1413685410.db2.gz GMRJUMXKQXCTOG-ICSRJNTNSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001700228812 1413685414 /nfs/dbraw/zinc/68/54/14/1413685414.db2.gz GMRJUMXKQXCTOG-ICSRJNTNSA-N 1 3 337.552 3.077 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001700411185 1413953411 /nfs/dbraw/zinc/95/34/11/1413953411.db2.gz DIGCKXCYXFNDDQ-QZTJIDSGSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001700645238 1414310447 /nfs/dbraw/zinc/31/04/47/1414310447.db2.gz CMYMKVPNJKOCIW-NCXUSEDFSA-N 1 3 337.552 3.027 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001701010348 1414669271 /nfs/dbraw/zinc/66/92/71/1414669271.db2.gz YAUCWOBCPABCOM-GGVAOPBYSA-N 1 3 349.563 3.434 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001732597106 1428837261 /nfs/dbraw/zinc/83/72/61/1428837261.db2.gz HFNKTIXZPSVPSZ-QZTJIDSGSA-N 1 3 345.531 3.012 10 0 EGAEHO CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)CN(C)CC(C)(C)C ZINC001732796609 1428976980 /nfs/dbraw/zinc/97/69/80/1428976980.db2.gz ARDGPQKLCCLRKW-UHFFFAOYSA-N 1 3 339.568 3.229 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001707076460 1417187532 /nfs/dbraw/zinc/18/75/32/1417187532.db2.gz ZDKQIRVUKUXZGF-LFGUQSLTSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707239807 1417260138 /nfs/dbraw/zinc/26/01/38/1417260138.db2.gz DAYVKBLINRMXSD-MOPGFXCFSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001707272810 1417279263 /nfs/dbraw/zinc/27/92/63/1417279263.db2.gz JDWZVFKAVNUVAI-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001707272810 1417279264 /nfs/dbraw/zinc/27/92/64/1417279264.db2.gz JDWZVFKAVNUVAI-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001733054018 1429195515 /nfs/dbraw/zinc/19/55/15/1429195515.db2.gz LVSFQPCPOHIVDI-AEFFLSMTSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001733054018 1429195517 /nfs/dbraw/zinc/19/55/17/1429195517.db2.gz LVSFQPCPOHIVDI-AEFFLSMTSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001713137008 1417720059 /nfs/dbraw/zinc/72/00/59/1417720059.db2.gz SIQNESMGPVXIJQ-GOSISDBHSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001713137008 1417720062 /nfs/dbraw/zinc/72/00/62/1417720062.db2.gz SIQNESMGPVXIJQ-GOSISDBHSA-N 1 3 339.568 3.323 10 0 EGAEHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001713201286 1417772021 /nfs/dbraw/zinc/77/20/21/1417772021.db2.gz OCRYYBJFUPJPBH-OTWHNJEPSA-N 1 3 345.531 3.352 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713278447 1417901769 /nfs/dbraw/zinc/90/17/69/1417901769.db2.gz DXVHXCBVBLODOZ-PKOBYXMFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713278447 1417901771 /nfs/dbraw/zinc/90/17/71/1417901771.db2.gz DXVHXCBVBLODOZ-PKOBYXMFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713538306 1418294181 /nfs/dbraw/zinc/29/41/81/1418294181.db2.gz IOPKLCVAQZJWPK-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713538306 1418294183 /nfs/dbraw/zinc/29/41/83/1418294183.db2.gz IOPKLCVAQZJWPK-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c1cc(C)ccc1C)N(C)C ZINC001733127895 1429253920 /nfs/dbraw/zinc/25/39/20/1429253920.db2.gz CQRHVGKZTFLYKT-MJGOQNOKSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001713702864 1418461390 /nfs/dbraw/zinc/46/13/90/1418461390.db2.gz QBIVAZVFDINPTB-RTBURBONSA-N 1 3 331.504 3.106 10 0 EGAEHO C[C@@H](c1ccccc1)N1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713926590 1418718409 /nfs/dbraw/zinc/71/84/09/1418718409.db2.gz PKUJCCIZIUSABX-SFHVURJKSA-N 1 3 343.515 3.062 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150061 1418956070 /nfs/dbraw/zinc/95/60/70/1418956070.db2.gz JILVXXHINRTJNL-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001714150061 1418956072 /nfs/dbraw/zinc/95/60/72/1418956072.db2.gz JILVXXHINRTJNL-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163771 1418974232 /nfs/dbraw/zinc/97/42/32/1418974232.db2.gz WFOHPXBHXUCBFQ-PXNSSMCTSA-N 1 3 337.552 3.170 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240391 1419029098 /nfs/dbraw/zinc/02/90/98/1419029098.db2.gz KQQWSHVHFNJIJJ-YLJYHZDGSA-N 1 3 345.531 3.279 10 0 EGAEHO CC1CCN(CC(=O)N2CCC(CC[NH2+]CC3CCCC3)CC2)CC1 ZINC001714287823 1419066087 /nfs/dbraw/zinc/06/60/87/1419066087.db2.gz XPILIJATQOMFQW-UHFFFAOYSA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001714492955 1419216740 /nfs/dbraw/zinc/21/67/40/1419216740.db2.gz BGQBFTNYQICYGR-DUMMIQTOSA-N 1 3 335.536 3.234 10 0 EGAEHO CN(C)C1(C(=O)NCC2([NH2+]CCCC(C)(C)C)CCCC2)CCC1 ZINC001714496801 1419221148 /nfs/dbraw/zinc/22/11/48/1419221148.db2.gz FDSGQHLXGMVJQJ-UHFFFAOYSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714754008 1419495310 /nfs/dbraw/zinc/49/53/10/1419495310.db2.gz WWTKCZIECNUSBY-QFBILLFUSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001714840675 1419552922 /nfs/dbraw/zinc/55/29/22/1419552922.db2.gz XICWZYDRTNVSOU-WMZOPIPTSA-N 1 3 349.494 3.056 10 0 EGAEHO CCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001715161003 1419902435 /nfs/dbraw/zinc/90/24/35/1419902435.db2.gz LQIJLCSYQZSKAA-RTBURBONSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001715210414 1419943787 /nfs/dbraw/zinc/94/37/87/1419943787.db2.gz ODKCUFIHZXIXQA-MSOLQXFVSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715413810 1420108787 /nfs/dbraw/zinc/10/87/87/1420108787.db2.gz JGKDMQCAMUMNSK-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001716045630 1420509077 /nfs/dbraw/zinc/50/90/77/1420509077.db2.gz RGKZYSVZVRBDEP-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001716045630 1420509079 /nfs/dbraw/zinc/50/90/79/1420509079.db2.gz RGKZYSVZVRBDEP-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CCN(CCNCc1ccsc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716221272 1420571150 /nfs/dbraw/zinc/57/11/50/1420571150.db2.gz RDWGJDLDHAYMPP-GOSISDBHSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN(CCNCc1ccsc1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001716221272 1420571151 /nfs/dbraw/zinc/57/11/51/1420571151.db2.gz RDWGJDLDHAYMPP-GOSISDBHSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001716465620 1420678286 /nfs/dbraw/zinc/67/82/86/1420678286.db2.gz DWAZLKYQIXKVKY-JXFKEZNVSA-N 1 3 343.515 3.033 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509232 1420741102 /nfs/dbraw/zinc/74/11/02/1420741102.db2.gz YUXPSYPBEOHEBH-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509232 1420741104 /nfs/dbraw/zinc/74/11/04/1420741104.db2.gz YUXPSYPBEOHEBH-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001716520366 1420749090 /nfs/dbraw/zinc/74/90/90/1420749090.db2.gz LCHDGTWJRPPEKS-SJORKVTESA-N 1 3 348.535 3.352 10 0 EGAEHO CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1)N(C)C ZINC001716685916 1420839485 /nfs/dbraw/zinc/83/94/85/1420839485.db2.gz QVCHTFKIHHCMHK-VQIMIIECSA-N 1 3 345.531 3.450 10 0 EGAEHO CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001716714925 1420870182 /nfs/dbraw/zinc/87/01/82/1420870182.db2.gz DVEDEJDNTCGTEY-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001716714925 1420870183 /nfs/dbraw/zinc/87/01/83/1420870183.db2.gz DVEDEJDNTCGTEY-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716798749 1420931813 /nfs/dbraw/zinc/93/18/13/1420931813.db2.gz FBDWOKDZADOVHU-HDICACEKSA-N 1 3 347.547 3.330 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716984250 1421061421 /nfs/dbraw/zinc/06/14/21/1421061421.db2.gz FVTHKOBLUWXBBW-HKUYNNGSSA-N 1 3 347.547 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1 ZINC001717118377 1421122968 /nfs/dbraw/zinc/12/29/68/1421122968.db2.gz VBTOKRJARZRYGR-KRWDZBQOSA-N 1 3 345.531 3.484 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717126052 1421128199 /nfs/dbraw/zinc/12/81/99/1421128199.db2.gz YLWWLTVKJSUPPV-SAABIXHNSA-N 1 3 337.552 3.027 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001717304363 1421246035 /nfs/dbraw/zinc/24/60/35/1421246035.db2.gz COROAGZLODQVLS-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001717332288 1421267166 /nfs/dbraw/zinc/26/71/66/1421267166.db2.gz SKXBSXGDYIRCQL-QZTJIDSGSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001717332288 1421267169 /nfs/dbraw/zinc/26/71/69/1421267169.db2.gz SKXBSXGDYIRCQL-QZTJIDSGSA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC001717338818 1421276860 /nfs/dbraw/zinc/27/68/60/1421276860.db2.gz ATUAFCCBHHUUSP-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC001717338818 1421276862 /nfs/dbraw/zinc/27/68/62/1421276862.db2.gz ATUAFCCBHHUUSP-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001717340832 1421278073 /nfs/dbraw/zinc/27/80/73/1421278073.db2.gz HDRJBUNOXDZOSK-JENIJYKNSA-N 1 3 333.520 3.189 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1)N(C)C ZINC001717524111 1421459890 /nfs/dbraw/zinc/45/98/90/1421459890.db2.gz QLUUUVWYVBSCSV-GOSISDBHSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001717599192 1421522426 /nfs/dbraw/zinc/52/24/26/1421522426.db2.gz BNTTVRIOFBVXCM-YSTOQKLRSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001717599192 1421522429 /nfs/dbraw/zinc/52/24/29/1421522429.db2.gz BNTTVRIOFBVXCM-YSTOQKLRSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001717756437 1421619766 /nfs/dbraw/zinc/61/97/66/1421619766.db2.gz FLWMEBZVDZMDBV-HUUCEWRRSA-N 1 3 339.911 3.178 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717870066 1421679213 /nfs/dbraw/zinc/67/92/13/1421679213.db2.gz CWJRYPQZXFGQIO-WYNBNGFRSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001717952407 1421723504 /nfs/dbraw/zinc/72/35/04/1421723504.db2.gz WCPLBHGCMWNIGH-UHFFFAOYSA-N 1 3 337.552 3.242 10 0 EGAEHO CN(CC(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001717996651 1421764762 /nfs/dbraw/zinc/76/47/62/1421764762.db2.gz MWJJXTVMEVOUKJ-UHFFFAOYSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001733327320 1429512738 /nfs/dbraw/zinc/51/27/38/1429512738.db2.gz NCKCDMBBRYPCNS-SJORKVTESA-N 1 3 337.552 3.266 10 0 EGAEHO CN(CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)C1CCC1 ZINC001733380325 1429565029 /nfs/dbraw/zinc/56/50/29/1429565029.db2.gz OPYRLBJTBMCYQD-HXUWFJFHSA-N 1 3 347.547 3.236 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001733386025 1429573365 /nfs/dbraw/zinc/57/33/65/1429573365.db2.gz ZZIQPRDKFCWIBY-HKUYNNGSSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001723156696 1424311098 /nfs/dbraw/zinc/31/10/98/1424311098.db2.gz LQCCGIXCSCANOK-IBGZPJMESA-N 1 3 345.531 3.226 10 0 EGAEHO C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001733538339 1429744575 /nfs/dbraw/zinc/74/45/75/1429744575.db2.gz NIANLRSEIMBTCO-SJORKVTESA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173115 1424707750 /nfs/dbraw/zinc/70/77/50/1424707750.db2.gz BHOKEOCLHLVWJJ-RXVVDRJESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173115 1424707754 /nfs/dbraw/zinc/70/77/54/1424707754.db2.gz BHOKEOCLHLVWJJ-RXVVDRJESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001724748384 1425117519 /nfs/dbraw/zinc/11/75/19/1425117519.db2.gz IVBDOKBGKBGPGT-MMKBSGOPSA-N 1 3 349.906 3.048 10 0 EGAEHO CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001724886909 1425271442 /nfs/dbraw/zinc/27/14/42/1425271442.db2.gz OROSNTPNBJGFEM-KRWDZBQOSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001725138354 1425614820 /nfs/dbraw/zinc/61/48/20/1425614820.db2.gz NEZRKWKCOZYXTO-AOCRQIFASA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001725478939 1426154001 /nfs/dbraw/zinc/15/40/01/1426154001.db2.gz FROAFLRVRHFVKO-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001725622660 1426288205 /nfs/dbraw/zinc/28/82/05/1426288205.db2.gz HVYUAEIKHNETNI-ZWKOTPCHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684639 1426372280 /nfs/dbraw/zinc/37/22/80/1426372280.db2.gz RPMRZQVXFFFUTK-YJBOKZPZSA-N 1 3 349.494 3.054 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001731559967 1427594380 /nfs/dbraw/zinc/59/43/80/1427594380.db2.gz TZIFLHMLXJSHBK-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001731559967 1427594383 /nfs/dbraw/zinc/59/43/83/1427594383.db2.gz TZIFLHMLXJSHBK-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001731641273 1427701058 /nfs/dbraw/zinc/70/10/58/1427701058.db2.gz UEFGOEIYOPKGNZ-SJORKVTESA-N 1 3 341.499 3.335 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC001731751319 1427846007 /nfs/dbraw/zinc/84/60/07/1427846007.db2.gz VMKFCVGNZOIIAH-IBGZPJMESA-N 1 3 343.515 3.032 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC001731751319 1427846010 /nfs/dbraw/zinc/84/60/10/1427846010.db2.gz VMKFCVGNZOIIAH-IBGZPJMESA-N 1 3 343.515 3.032 10 0 EGAEHO CCC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1)C(C)C ZINC001733781759 1430046364 /nfs/dbraw/zinc/04/63/64/1430046364.db2.gz QWFMDBTWSSRQRS-HSALFYBXSA-N 1 3 349.563 3.218 10 0 EGAEHO CCC(CC)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001733782199 1430047571 /nfs/dbraw/zinc/04/75/71/1430047571.db2.gz ZWFYIPJBPYAYCG-AHRSYUTCSA-N 1 3 349.563 3.218 10 0 EGAEHO C[N@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001733938228 1437753506 /nfs/dbraw/zinc/75/35/06/1437753506.db2.gz GWPUJCNKIVRARS-HXUWFJFHSA-N 1 3 349.563 3.366 10 0 EGAEHO C[N@@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001733938228 1437753508 /nfs/dbraw/zinc/75/35/08/1437753508.db2.gz GWPUJCNKIVRARS-HXUWFJFHSA-N 1 3 349.563 3.366 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C ZINC001734033528 1437821131 /nfs/dbraw/zinc/82/11/31/1437821131.db2.gz FFYCRXRZYFOVNY-DLBZAZTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001734033528 1437821133 /nfs/dbraw/zinc/82/11/33/1437821133.db2.gz FFYCRXRZYFOVNY-DLBZAZTESA-N 1 3 325.541 3.122 10 0 EGAEHO CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001734098803 1437883041 /nfs/dbraw/zinc/88/30/41/1437883041.db2.gz DRSOCRNQEQEUGY-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001734098803 1437883043 /nfs/dbraw/zinc/88/30/43/1437883043.db2.gz DRSOCRNQEQEUGY-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001734123736 1437903616 /nfs/dbraw/zinc/90/36/16/1437903616.db2.gz IDQAORYFQDCEHC-DLBZAZTESA-N 1 3 349.563 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001734187805 1437931034 /nfs/dbraw/zinc/93/10/34/1437931034.db2.gz HPMSPIUNPPFDTC-CMZLPQLFSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001734187805 1437931036 /nfs/dbraw/zinc/93/10/36/1437931036.db2.gz HPMSPIUNPPFDTC-CMZLPQLFSA-N 1 3 347.547 3.044 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001734195521 1437936388 /nfs/dbraw/zinc/93/63/88/1437936388.db2.gz XXRGXZANDQRENB-HSALFYBXSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001734195521 1437936389 /nfs/dbraw/zinc/93/63/89/1437936389.db2.gz XXRGXZANDQRENB-HSALFYBXSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001734500291 1438134666 /nfs/dbraw/zinc/13/46/66/1438134666.db2.gz JDBUUXUTUPLOQC-KRWDZBQOSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001734552030 1438150352 /nfs/dbraw/zinc/15/03/52/1438150352.db2.gz XWAAONNHKAMYQE-SFHVURJKSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001734552030 1438150355 /nfs/dbraw/zinc/15/03/55/1438150355.db2.gz XWAAONNHKAMYQE-SFHVURJKSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001734577727 1438170321 /nfs/dbraw/zinc/17/03/21/1438170321.db2.gz MXZAKGKDKYZOOR-HZPDHXFCSA-N 1 3 348.535 3.160 10 0 EGAEHO c1cn(-c2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)cn1 ZINC000246863448 141039636 /nfs/dbraw/zinc/03/96/36/141039636.db2.gz PQXPCBIWDXUCBH-RXVVDRJESA-N 1 3 336.483 3.321 10 0 EGAEHO c1cn(-c2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)cn1 ZINC000246863448 141039638 /nfs/dbraw/zinc/03/96/38/141039638.db2.gz PQXPCBIWDXUCBH-RXVVDRJESA-N 1 3 336.483 3.321 10 0 EGAEHO CN(CCc1ccncc1)[C@H]1CCC[N@H+](CCc2ccncc2)CC1 ZINC000351709817 144294080 /nfs/dbraw/zinc/29/40/80/144294080.db2.gz KXAMUDGWCWISAC-NRFANRHFSA-N 1 3 338.499 3.048 10 0 EGAEHO CN(CCc1ccncc1)[C@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000351709817 144294081 /nfs/dbraw/zinc/29/40/81/144294081.db2.gz KXAMUDGWCWISAC-NRFANRHFSA-N 1 3 338.499 3.048 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)ccn1 ZINC000341392771 155266227 /nfs/dbraw/zinc/26/62/27/155266227.db2.gz DZGDXCQRXYYTNK-XUVXKRRUSA-N 1 3 343.515 3.483 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248990830 163049340 /nfs/dbraw/zinc/04/93/40/163049340.db2.gz NHVHKZNIZXBPMF-BURNTYAHSA-N 1 3 327.516 3.113 10 0 EGAEHO O=C(NCCC[NH2+]C1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000345856781 164280399 /nfs/dbraw/zinc/28/03/99/164280399.db2.gz ZUDBPHFASHGYIR-UHFFFAOYSA-N 1 3 343.515 3.325 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367592765 168246074 /nfs/dbraw/zinc/24/60/74/168246074.db2.gz FFUCRYZCBYXHPO-SESVDKBCSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367592765 168246076 /nfs/dbraw/zinc/24/60/76/168246076.db2.gz FFUCRYZCBYXHPO-SESVDKBCSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)on1 ZINC000367592765 168246077 /nfs/dbraw/zinc/24/60/77/168246077.db2.gz FFUCRYZCBYXHPO-SESVDKBCSA-N 1 3 339.483 3.416 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367624677 168251766 /nfs/dbraw/zinc/25/17/66/168251766.db2.gz WOUSHNZOXHVVTG-AABGKKOBSA-N 1 3 341.499 3.388 10 0 EGAEHO C[C@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000123453393 222279672 /nfs/dbraw/zinc/27/96/72/222279672.db2.gz IDFCSUIWQLAFCQ-GJZGRUSLSA-N 1 3 343.471 3.049 10 0 EGAEHO C[C@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000123453393 222279676 /nfs/dbraw/zinc/27/96/76/222279676.db2.gz IDFCSUIWQLAFCQ-GJZGRUSLSA-N 1 3 343.471 3.049 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110821617 275181638 /nfs/dbraw/zinc/18/16/38/275181638.db2.gz LUTOGPIJIPZFEF-CXAGYDPISA-N 1 3 337.305 3.238 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653942 276199545 /nfs/dbraw/zinc/19/95/45/276199545.db2.gz RNFOJZKSNBLTGU-QAPCUYQASA-N 1 3 349.494 3.044 10 0 EGAEHO CC(C)[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994240 276431594 /nfs/dbraw/zinc/43/15/94/276431594.db2.gz CLAXZIXRKJBXJZ-WMZOPIPTSA-N 1 3 337.533 3.032 10 0 EGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)c2ccc(F)cc2F)CC1 ZINC000246998241 278395845 /nfs/dbraw/zinc/39/58/45/278395845.db2.gz BHGSZMBMZPTHGS-ZIAGYGMSSA-N 1 3 326.431 3.050 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177969 309065090 /nfs/dbraw/zinc/06/50/90/309065090.db2.gz JKWXXXCSELWHRZ-SJORKVTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177969 309065091 /nfs/dbraw/zinc/06/50/91/309065091.db2.gz JKWXXXCSELWHRZ-SJORKVTESA-N 1 3 326.488 3.470 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000414513390 309085731 /nfs/dbraw/zinc/08/57/31/309085731.db2.gz KDNPYDIWXPUHKP-GGPKGHCWSA-N 1 3 345.531 3.122 10 0 EGAEHO CN(C)Cc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccc1F ZINC000294212980 308200556 /nfs/dbraw/zinc/20/05/56/308200556.db2.gz MSOJAFWTLJPSGU-UHFFFAOYSA-N 1 3 342.462 3.041 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295872002 308369588 /nfs/dbraw/zinc/36/95/88/308369588.db2.gz GGOWZQSDIQEKJP-XCDJFROHSA-N 1 3 327.516 3.112 10 0 EGAEHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC000414697314 309095954 /nfs/dbraw/zinc/09/59/54/309095954.db2.gz GUMRXAZLTZPBRU-IBGZPJMESA-N 1 3 343.515 3.019 10 0 EGAEHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC000414697314 309095955 /nfs/dbraw/zinc/09/59/55/309095955.db2.gz GUMRXAZLTZPBRU-IBGZPJMESA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414822599 309103866 /nfs/dbraw/zinc/10/38/66/309103866.db2.gz NDZLKSWBGYSJHF-YRGRVCCFSA-N 1 3 343.284 3.497 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414822599 309103867 /nfs/dbraw/zinc/10/38/67/309103867.db2.gz NDZLKSWBGYSJHF-YRGRVCCFSA-N 1 3 343.284 3.497 10 0 EGAEHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397497235 308904490 /nfs/dbraw/zinc/90/44/90/308904490.db2.gz CHGSTZJBIIDKAY-GGPKGHCWSA-N 1 3 330.516 3.428 10 0 EGAEHO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C)[C@@H](C)N)cc2)c1 ZINC000415024217 309114879 /nfs/dbraw/zinc/11/48/79/309114879.db2.gz YJSQXYXSFZAUPA-ZIAGYGMSSA-N 1 3 330.428 3.321 10 0 EGAEHO CC(C)C[C@H](N)C[NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415076014 309118577 /nfs/dbraw/zinc/11/85/77/309118577.db2.gz CEVYSRKOGRIHFF-XKGZKEIXSA-N 1 3 334.504 3.275 10 0 EGAEHO COc1ccc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000415081093 309118924 /nfs/dbraw/zinc/11/89/24/309118924.db2.gz JZWGKBAINPRMAU-RCCFBDPRSA-N 1 3 332.488 3.147 10 0 EGAEHO COc1ccc([C@@H](CNC[C@@H]([NH3+])CC(C)C)N2CCCCC2)cc1 ZINC000415085385 309119282 /nfs/dbraw/zinc/11/92/82/309119282.db2.gz QCGYZQSDIJTLMT-AZUAARDMSA-N 1 3 333.520 3.185 10 0 EGAEHO COc1ccc([C@@H](C[NH2+]C[C@@H](N)CC(C)C)N2CCCCC2)cc1 ZINC000415085385 309119283 /nfs/dbraw/zinc/11/92/83/309119283.db2.gz QCGYZQSDIJTLMT-AZUAARDMSA-N 1 3 333.520 3.185 10 0 EGAEHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000415131025 309122680 /nfs/dbraw/zinc/12/26/80/309122680.db2.gz RSTDEYZVFBMGGE-FPOVZHCZSA-N 1 3 344.499 3.194 10 0 EGAEHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421345301 309319408 /nfs/dbraw/zinc/31/94/08/309319408.db2.gz RHVKGFHZXMLWNP-HXUWFJFHSA-N 1 3 328.500 3.456 10 0 EGAEHO COc1ccc(CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422699853 309363579 /nfs/dbraw/zinc/36/35/79/309363579.db2.gz BKJRIMJGWJCWFW-QZTJIDSGSA-N 1 3 326.440 3.371 10 0 EGAEHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422840957 309371255 /nfs/dbraw/zinc/37/12/55/309371255.db2.gz CKOVFKQBUGTZIG-OAGGEKHMSA-N 1 3 325.859 3.085 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@H]2CCCC[C@H]2CN)CCOCC1 ZINC000422897393 309374742 /nfs/dbraw/zinc/37/47/42/309374742.db2.gz JKTJLXODVYMXQH-HKUYNNGSSA-N 1 3 346.515 3.159 10 0 EGAEHO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422915524 309375943 /nfs/dbraw/zinc/37/59/43/309375943.db2.gz BFBLLYLRNBFSIJ-UONOGXRCSA-N 1 3 343.471 3.148 10 0 EGAEHO COc1ccc(C[C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422927021 309376521 /nfs/dbraw/zinc/37/65/21/309376521.db2.gz XXVFNTPVJYTHQX-DOPJRALCSA-N 1 3 326.440 3.369 10 0 EGAEHO CCC1(CC)[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1OC ZINC000422945330 309377585 /nfs/dbraw/zinc/37/75/85/309377585.db2.gz UCNAORHEWKJWTD-VBSBHUPXSA-N 1 3 344.499 3.426 10 0 EGAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094721 309385732 /nfs/dbraw/zinc/38/57/32/309385732.db2.gz KPIZJTYLMNCRCQ-YRXWBPOGSA-N 1 3 335.536 3.068 10 0 EGAEHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCCC[NH3+] ZINC000423181634 309389370 /nfs/dbraw/zinc/38/93/70/309389370.db2.gz GHURNJHIMCGIEA-VIFPVBQESA-N 1 3 337.773 3.014 10 0 EGAEHO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCN ZINC000423181634 309389371 /nfs/dbraw/zinc/38/93/71/309389371.db2.gz GHURNJHIMCGIEA-VIFPVBQESA-N 1 3 337.773 3.014 10 0 EGAEHO Cc1c([C@@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255040 309392496 /nfs/dbraw/zinc/39/24/96/309392496.db2.gz ANFHLCQRHPGEOG-UKRRQHHQSA-N 1 3 347.894 3.269 10 0 EGAEHO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000433057490 309677020 /nfs/dbraw/zinc/67/70/20/309677020.db2.gz LXWBXWYZNNLNDS-QGZVFWFLSA-N 1 3 346.515 3.220 10 0 EGAEHO C[C@H](C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)N(C)C1CC1 ZINC000449133106 310039355 /nfs/dbraw/zinc/03/93/55/310039355.db2.gz CMJKLTFRACNMRZ-QZTJIDSGSA-N 1 3 329.532 3.154 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC2CCC(C(N)=O)CC2)CC1 ZINC000449136418 310039557 /nfs/dbraw/zinc/03/95/57/310039557.db2.gz BDKZJZKBZOWDNJ-UHFFFAOYSA-N 1 3 337.552 3.299 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000449136418 310039558 /nfs/dbraw/zinc/03/95/58/310039558.db2.gz BDKZJZKBZOWDNJ-UHFFFAOYSA-N 1 3 337.552 3.299 10 0 EGAEHO C[C@@H](CC[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[S@](C)=O ZINC000449219167 310045454 /nfs/dbraw/zinc/04/54/54/310045454.db2.gz CLCYWIHTUJUBTH-NYHFZMIOSA-N 1 3 330.582 3.412 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](SC)C2)CC1 ZINC000449445779 310062520 /nfs/dbraw/zinc/06/25/20/310062520.db2.gz LVIPZBHTFISMMT-GOSISDBHSA-N 1 3 333.545 3.156 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](SC)C2)CC1 ZINC000449445779 310062521 /nfs/dbraw/zinc/06/25/21/310062521.db2.gz LVIPZBHTFISMMT-GOSISDBHSA-N 1 3 333.545 3.156 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@H](NCC3=CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453280642 310269034 /nfs/dbraw/zinc/26/90/34/310269034.db2.gz FYPSUNQLHRTVEO-HBMCJLEFSA-N 1 3 326.484 3.366 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@H](NCC3=CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453280642 310269035 /nfs/dbraw/zinc/26/90/35/310269035.db2.gz FYPSUNQLHRTVEO-HBMCJLEFSA-N 1 3 326.484 3.366 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482244028 310929264 /nfs/dbraw/zinc/92/92/64/310929264.db2.gz NLUHHVUESIUIFL-UHFFFAOYSA-N 1 3 338.879 3.338 10 0 EGAEHO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000511032704 312153149 /nfs/dbraw/zinc/15/31/49/312153149.db2.gz TWCRGCWVZDGZPT-QFBILLFUSA-N 1 3 334.504 3.219 10 0 EGAEHO CCN(CC)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000513761398 312217180 /nfs/dbraw/zinc/21/71/80/312217180.db2.gz MWKMPDQNMPMAKJ-FNAHDJPLSA-N 1 3 343.559 3.402 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC23CC3)cc1 ZINC000514602631 312233825 /nfs/dbraw/zinc/23/38/25/312233825.db2.gz IANQUPNKARATHT-HBMCJLEFSA-N 1 3 339.527 3.400 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@@H]2OC)CC1 ZINC000538125541 314228180 /nfs/dbraw/zinc/22/81/80/314228180.db2.gz XFEUEOLKNLMYHT-FPOVZHCZSA-N 1 3 345.531 3.123 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H]2CCC[C@H]21 ZINC000552248553 315209240 /nfs/dbraw/zinc/20/92/40/315209240.db2.gz KXWQWHCMZIYZCP-KJWYOANISA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H]2CCC[C@H]21 ZINC000552248553 315209241 /nfs/dbraw/zinc/20/92/41/315209241.db2.gz KXWQWHCMZIYZCP-KJWYOANISA-N 1 3 335.442 3.006 10 0 EGAEHO O[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)CC1CCCC1 ZINC000569332373 316898710 /nfs/dbraw/zinc/89/87/10/316898710.db2.gz NZKDBLAVHCTRMH-GOSISDBHSA-N 1 3 336.545 3.491 10 0 EGAEHO C[C@@H]([NH3+])CCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000570448179 317057262 /nfs/dbraw/zinc/05/72/62/317057262.db2.gz LWCZJYVZSMHJRZ-MRXNPFEDSA-N 1 3 339.483 3.159 10 0 EGAEHO Cc1ccc2[nH+]ccc(N3CCC[C@@H](N4CCOCC4)CC3)c2c1 ZINC000572257208 317312852 /nfs/dbraw/zinc/31/28/52/317312852.db2.gz HVWUBTLWQPWKNQ-QGZVFWFLSA-N 1 3 325.456 3.234 10 0 EGAEHO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000577527932 324823208 /nfs/dbraw/zinc/82/32/08/324823208.db2.gz SESIJWBWOLKXPQ-MJGOQNOKSA-N 1 3 345.531 3.306 10 0 EGAEHO CC1=CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000579941061 325179997 /nfs/dbraw/zinc/17/99/97/325179997.db2.gz CWEQVXPLWHACFN-DKUWSORSSA-N 1 3 339.527 3.424 10 0 EGAEHO CC1=CCN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000579941061 325180000 /nfs/dbraw/zinc/18/00/00/325180000.db2.gz CWEQVXPLWHACFN-DKUWSORSSA-N 1 3 339.527 3.424 10 0 EGAEHO CC1=CCN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000579941061 325180004 /nfs/dbraw/zinc/18/00/04/325180004.db2.gz CWEQVXPLWHACFN-DKUWSORSSA-N 1 3 339.527 3.424 10 0 EGAEHO CC(C)[NH2+]CCCN[C@H](C)Cc1ccc(Br)cc1F ZINC000583138242 325498500 /nfs/dbraw/zinc/49/85/00/325498500.db2.gz IVCPOCHOHDIRHY-GFCCVEGCSA-N 1 3 331.273 3.497 10 0 EGAEHO Cn1c2ccccc2nc1CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000181021083 455277236 /nfs/dbraw/zinc/27/72/36/455277236.db2.gz IXHMZAUCLPBYLA-UHFFFAOYSA-N 1 3 328.504 3.358 10 0 EGAEHO Cn1c2ccccc2nc1CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000181021083 455277241 /nfs/dbraw/zinc/27/72/41/455277241.db2.gz IXHMZAUCLPBYLA-UHFFFAOYSA-N 1 3 328.504 3.358 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](COC)C2)CC1 ZINC000093337711 454704154 /nfs/dbraw/zinc/70/41/54/454704154.db2.gz YVIOJPJKDVCUBM-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](COC)C2)CC1 ZINC000093337711 454704157 /nfs/dbraw/zinc/70/41/57/454704157.db2.gz YVIOJPJKDVCUBM-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO CCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271464 454835826 /nfs/dbraw/zinc/83/58/26/454835826.db2.gz YZNJOOAVUOVPRG-KRWDZBQOSA-N 1 3 335.923 3.236 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000165999041 454906526 /nfs/dbraw/zinc/90/65/26/454906526.db2.gz KPCUSVIOECGDFL-IEBWSBKVSA-N 1 3 334.504 3.464 10 0 EGAEHO CCN(C(=O)CC[NH2+]C(C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165944765 454906633 /nfs/dbraw/zinc/90/66/33/454906633.db2.gz KJRVZLNFTGRQTD-PKOBYXMFSA-N 1 3 331.504 3.059 10 0 EGAEHO COCCC[NH+]1CCC(N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166459923 454911765 /nfs/dbraw/zinc/91/17/65/454911765.db2.gz HYPRKBQKCXHVFL-WIYYLYMNSA-N 1 3 346.515 3.245 10 0 EGAEHO CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000170606435 454940067 /nfs/dbraw/zinc/94/00/67/454940067.db2.gz MRKYPWVXNCMYRV-LEWJYISDSA-N 1 3 348.531 3.149 10 0 EGAEHO CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000170606435 454940071 /nfs/dbraw/zinc/94/00/71/454940071.db2.gz MRKYPWVXNCMYRV-LEWJYISDSA-N 1 3 348.531 3.149 10 0 EGAEHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C1CC1 ZINC000180137944 455138393 /nfs/dbraw/zinc/13/83/93/455138393.db2.gz HLABVCPMWARIRF-UPRUFMODSA-N 1 3 327.516 3.254 10 0 EGAEHO CC1(C)[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245853644 455386402 /nfs/dbraw/zinc/38/64/02/455386402.db2.gz GTSJDCRHYSFAQO-IPMKNSEASA-N 1 3 329.488 3.091 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1 ZINC000623669412 460670924 /nfs/dbraw/zinc/67/09/24/460670924.db2.gz MGVTVBFBWQOCOJ-HXUWFJFHSA-N 1 3 334.504 3.048 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000247122976 455563182 /nfs/dbraw/zinc/56/31/82/455563182.db2.gz AMNIKKSRUVHDSA-VWWARQNISA-N 1 3 327.516 3.254 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000268895077 455721986 /nfs/dbraw/zinc/72/19/86/455721986.db2.gz ARVQBOHEEHUCCW-PMXSJFBMSA-N 1 3 329.532 3.359 10 0 EGAEHO Cc1noc(CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000272413742 455942412 /nfs/dbraw/zinc/94/24/12/455942412.db2.gz LWJWXERIPMPEPQ-LDLYASANSA-N 1 3 340.471 3.096 10 0 EGAEHO Cc1noc(CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000272413742 455942417 /nfs/dbraw/zinc/94/24/17/455942417.db2.gz LWJWXERIPMPEPQ-LDLYASANSA-N 1 3 340.471 3.096 10 0 EGAEHO CN(C)Cc1ccc(-c2noc([C@H](C[NH3+])c3ccc(F)cc3)n2)cc1 ZINC000261826155 455955090 /nfs/dbraw/zinc/95/50/90/455955090.db2.gz QWJYTYJCQIRERW-QGZVFWFLSA-N 1 3 340.402 3.028 10 0 EGAEHO C[C@H](NC[C@@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572605 455999113 /nfs/dbraw/zinc/99/91/13/455999113.db2.gz IODFXVFSXAKRGI-NYVOZVTQSA-N 1 3 338.495 3.263 10 0 EGAEHO C[C@H](NC[C@@H](CO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272572605 455999116 /nfs/dbraw/zinc/99/91/16/455999116.db2.gz IODFXVFSXAKRGI-NYVOZVTQSA-N 1 3 338.495 3.263 10 0 EGAEHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000263299148 456121311 /nfs/dbraw/zinc/12/13/11/456121311.db2.gz WVMZARQIBQIHHK-FPOVZHCZSA-N 1 3 343.515 3.196 10 0 EGAEHO CCCc1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301789295 456215555 /nfs/dbraw/zinc/21/55/55/456215555.db2.gz MLXNDFQGETVRQQ-CVEARBPZSA-N 1 3 327.472 3.079 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000340477923 456484946 /nfs/dbraw/zinc/48/49/46/456484946.db2.gz XOJXWGGHRVCDCP-HXUWFJFHSA-N 1 3 341.503 3.078 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071393 456472970 /nfs/dbraw/zinc/47/29/70/456472970.db2.gz FDOCNLSOLXXIMN-HKUYNNGSSA-N 1 3 345.531 3.497 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000353071393 456472975 /nfs/dbraw/zinc/47/29/75/456472975.db2.gz FDOCNLSOLXXIMN-HKUYNNGSSA-N 1 3 345.531 3.497 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348465114 456700089 /nfs/dbraw/zinc/70/00/89/456700089.db2.gz KEWJVKQSFBCNMU-SVPXJYONSA-N 1 3 343.515 3.075 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353522902 456733737 /nfs/dbraw/zinc/73/37/37/456733737.db2.gz SPFLJWJTTJKGQF-QRQLOZEOSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353522902 456733742 /nfs/dbraw/zinc/73/37/42/456733742.db2.gz SPFLJWJTTJKGQF-QRQLOZEOSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1F ZINC000353522902 456733746 /nfs/dbraw/zinc/73/37/46/456733746.db2.gz SPFLJWJTTJKGQF-QRQLOZEOSA-N 1 3 342.462 3.282 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353525599 456736454 /nfs/dbraw/zinc/73/64/54/456736454.db2.gz HKULPZSBIDOQQV-TUFLPTIASA-N 1 3 327.516 3.113 10 0 EGAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000355598389 457393350 /nfs/dbraw/zinc/39/33/50/457393350.db2.gz JGZJVKUIFPJWBU-ZIFCJYIRSA-N 1 3 348.535 3.016 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000356414338 457615119 /nfs/dbraw/zinc/61/51/19/457615119.db2.gz HDATZOMSPXRMDD-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000356414338 457615122 /nfs/dbraw/zinc/61/51/22/457615122.db2.gz HDATZOMSPXRMDD-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000433381656 457826909 /nfs/dbraw/zinc/82/69/09/457826909.db2.gz KZTKQMHESTYBIP-IBGZPJMESA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C)C[C@H]1CC[N@H+](CC(=O)NC2CCN(C3CC3)CC2)C1(C)C ZINC000412035699 458057640 /nfs/dbraw/zinc/05/76/40/458057640.db2.gz LLDJHKMJNBXQEC-MRXNPFEDSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)(C)C[C@H]1CC[N@@H+](CC(=O)NC2CCN(C3CC3)CC2)C1(C)C ZINC000412035699 458057647 /nfs/dbraw/zinc/05/76/47/458057647.db2.gz LLDJHKMJNBXQEC-MRXNPFEDSA-N 1 3 349.563 3.266 10 0 EGAEHO COc1ccc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000459746971 458467614 /nfs/dbraw/zinc/46/76/14/458467614.db2.gz ZIYMFDPSIWEDMV-GOEBONIOSA-N 1 3 333.476 3.036 10 0 EGAEHO COc1ccc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1NC(C)=O ZINC000459746971 458467618 /nfs/dbraw/zinc/46/76/18/458467618.db2.gz ZIYMFDPSIWEDMV-GOEBONIOSA-N 1 3 333.476 3.036 10 0 EGAEHO CCN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482722 458505479 /nfs/dbraw/zinc/50/54/79/458505479.db2.gz HGXVBNTWAUGRRR-MFNRNEDNSA-N 1 3 347.469 3.112 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486111 458506036 /nfs/dbraw/zinc/50/60/36/458506036.db2.gz QNORORVPMJTYNX-SOEBMCCKSA-N 1 3 345.453 3.008 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486111 458506041 /nfs/dbraw/zinc/50/60/41/458506041.db2.gz QNORORVPMJTYNX-SOEBMCCKSA-N 1 3 345.453 3.008 10 0 EGAEHO CC(C)(C)[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000438726475 458612300 /nfs/dbraw/zinc/61/23/00/458612300.db2.gz SBZOGTOLIKRNFV-HXUWFJFHSA-N 1 3 343.515 3.106 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441417364 458940334 /nfs/dbraw/zinc/94/03/34/458940334.db2.gz ZYHMCLIGYMVSQU-RXVVDRJESA-N 1 3 344.499 3.031 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441417364 458940340 /nfs/dbraw/zinc/94/03/40/458940340.db2.gz ZYHMCLIGYMVSQU-RXVVDRJESA-N 1 3 344.499 3.031 10 0 EGAEHO CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000556890673 459028918 /nfs/dbraw/zinc/02/89/18/459028918.db2.gz VCZZXIGKBOMGEK-DXBBTUNJSA-N 1 3 341.543 3.359 10 0 EGAEHO CC(C)CC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCC1 ZINC000521193689 459128120 /nfs/dbraw/zinc/12/81/20/459128120.db2.gz NYDMEULIONDVEE-UHFFFAOYSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)CC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCC1 ZINC000521193689 459128124 /nfs/dbraw/zinc/12/81/24/459128124.db2.gz NYDMEULIONDVEE-UHFFFAOYSA-N 1 3 335.536 3.020 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000560527071 459366693 /nfs/dbraw/zinc/36/66/93/459366693.db2.gz LEVBYQSAYHAVNE-QWFCFKBJSA-N 1 3 338.499 3.263 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000560527071 459366700 /nfs/dbraw/zinc/36/67/00/459366700.db2.gz LEVBYQSAYHAVNE-QWFCFKBJSA-N 1 3 338.499 3.263 10 0 EGAEHO COc1cncc(/C=C\CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000583021354 459469072 /nfs/dbraw/zinc/46/90/72/459469072.db2.gz GQHPIYYNATZABM-JFLVJKQUSA-N 1 3 329.488 3.301 10 0 EGAEHO COc1cncc(/C=C\CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000583021354 459469077 /nfs/dbraw/zinc/46/90/77/459469077.db2.gz GQHPIYYNATZABM-JFLVJKQUSA-N 1 3 329.488 3.301 10 0 EGAEHO COC(=O)c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)s1 ZINC000595901263 459480693 /nfs/dbraw/zinc/48/06/93/459480693.db2.gz UBVIXDPNMYXCKL-OAHLLOKOSA-N 1 3 336.501 3.055 10 0 EGAEHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)nsc2C)CC1 ZINC000583419537 459534323 /nfs/dbraw/zinc/53/43/23/459534323.db2.gz OFYZTHSCQQEHBN-UHFFFAOYSA-N 1 3 339.549 3.330 10 0 EGAEHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)nsc2C)CC1 ZINC000583419537 459534330 /nfs/dbraw/zinc/53/43/30/459534330.db2.gz OFYZTHSCQQEHBN-UHFFFAOYSA-N 1 3 339.549 3.330 10 0 EGAEHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(F)c1 ZINC000562463386 459566824 /nfs/dbraw/zinc/56/68/24/459566824.db2.gz AORFJAGNQGDUGJ-CYBMUJFWSA-N 1 3 327.875 3.156 10 0 EGAEHO CCOCCOCc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623357512 460506562 /nfs/dbraw/zinc/50/65/62/460506562.db2.gz SSEOOMKJWJVFCY-LJQANCHMSA-N 1 3 334.504 3.202 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623360893 460509200 /nfs/dbraw/zinc/50/92/00/460509200.db2.gz CWHYREQKCNYITA-HXUWFJFHSA-N 1 3 329.532 3.422 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392955 460524004 /nfs/dbraw/zinc/52/40/04/460524004.db2.gz UTIODSHAAMWGMA-AWEZNQCLSA-N 1 3 337.895 3.439 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623392955 460524007 /nfs/dbraw/zinc/52/40/07/460524007.db2.gz UTIODSHAAMWGMA-AWEZNQCLSA-N 1 3 337.895 3.439 10 0 EGAEHO NC1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629525609 460796209 /nfs/dbraw/zinc/79/62/09/460796209.db2.gz XRWPZYJMABBPBP-HNNXBMFYSA-N 1 3 328.378 3.254 10 0 EGAEHO NC1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629525610 460796372 /nfs/dbraw/zinc/79/63/72/460796372.db2.gz XRWPZYJMABBPBP-OAHLLOKOSA-N 1 3 328.378 3.254 10 0 EGAEHO Fc1c(Br)ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000629532393 460799286 /nfs/dbraw/zinc/79/92/86/460799286.db2.gz YPYHLTXJUBADRQ-YUSALJHKSA-N 1 3 345.231 3.205 10 0 EGAEHO Fc1c(Br)ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000629532394 460799965 /nfs/dbraw/zinc/79/99/65/460799965.db2.gz YPYHLTXJUBADRQ-ZMLRMANQSA-N 1 3 345.231 3.205 10 0 EGAEHO CC[NH+]1CCC(CCNCc2ccnn2CCc2ccccc2)CC1 ZINC000621338853 460995995 /nfs/dbraw/zinc/99/59/95/460995995.db2.gz NQAHKCYRIGYCFJ-UHFFFAOYSA-N 1 3 340.515 3.337 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@@H]1CCN(CC)C1 ZINC000617930174 461029524 /nfs/dbraw/zinc/02/95/24/461029524.db2.gz YGIJFJWLOFZEIQ-HXUWFJFHSA-N 1 3 345.531 3.473 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@@H]1CCN(CC)C1 ZINC000617930174 461029527 /nfs/dbraw/zinc/02/95/27/461029527.db2.gz YGIJFJWLOFZEIQ-HXUWFJFHSA-N 1 3 345.531 3.473 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H](CN[C@@H]3CO[C@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713322 461392247 /nfs/dbraw/zinc/39/22/47/461392247.db2.gz MQESQTKLGUAKAU-ACRUOGEOSA-N 1 3 340.511 3.446 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H](CN[C@@H]3CO[C@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713322 461392251 /nfs/dbraw/zinc/39/22/51/461392251.db2.gz MQESQTKLGUAKAU-ACRUOGEOSA-N 1 3 340.511 3.446 10 0 EGAEHO Cc1c([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000655805137 461465443 /nfs/dbraw/zinc/46/54/43/461465443.db2.gz CXSCWOMXTBZCLD-RVSPLBMKSA-N 1 3 347.894 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCS[C@@H]2C)CC1 ZINC000647257980 461593573 /nfs/dbraw/zinc/59/35/73/461593573.db2.gz HNJGFCIQLBCJOZ-AEFFLSMTSA-N 1 3 333.545 3.202 10 0 EGAEHO CCn1c2ccccc2nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784804 461893705 /nfs/dbraw/zinc/89/37/05/461893705.db2.gz HLXNESVRGWADIS-QGZVFWFLSA-N 1 3 326.488 3.268 10 0 EGAEHO CN1CC[C@@]2(C1)CCC[N@H+](CCCc1nc(-c3cccs3)no1)C2 ZINC000660655221 461905796 /nfs/dbraw/zinc/90/57/96/461905796.db2.gz KPBASKHWBVBJTJ-GOSISDBHSA-N 1 3 346.500 3.148 10 0 EGAEHO CN1CC[C@@]2(C1)CCC[N@@H+](CCCc1nc(-c3cccs3)no1)C2 ZINC000660655221 461905802 /nfs/dbraw/zinc/90/58/02/461905802.db2.gz KPBASKHWBVBJTJ-GOSISDBHSA-N 1 3 346.500 3.148 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1cc(Cl)c(OC)c(OC)c1 ZINC000650718680 461911556 /nfs/dbraw/zinc/91/15/56/461911556.db2.gz SSVKFTNYIHNFOU-UHFFFAOYSA-N 1 3 334.847 3.366 10 0 EGAEHO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccnn1-c1ccncc1 ZINC000657348221 462062231 /nfs/dbraw/zinc/06/22/31/462062231.db2.gz OLBTXCMLZYADCZ-SFHVURJKSA-N 1 3 327.476 3.012 10 0 EGAEHO CCCC[N@H+]1CCCC[C@H]1CNCc1ccnn1-c1ccncc1 ZINC000657348221 462062234 /nfs/dbraw/zinc/06/22/34/462062234.db2.gz OLBTXCMLZYADCZ-SFHVURJKSA-N 1 3 327.476 3.012 10 0 EGAEHO CCCCN1CCCC[C@H]1C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657348221 462062236 /nfs/dbraw/zinc/06/22/36/462062236.db2.gz OLBTXCMLZYADCZ-SFHVURJKSA-N 1 3 327.476 3.012 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000648450085 462123431 /nfs/dbraw/zinc/12/34/31/462123431.db2.gz RSPYYFLYDREVNU-GCJKJVERSA-N 1 3 341.543 3.156 10 0 EGAEHO Cc1nc2ccccc2c(N2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000664659421 462143638 /nfs/dbraw/zinc/14/36/38/462143638.db2.gz XISCZMGZTYELSN-KRWDZBQOSA-N 1 3 327.472 3.399 10 0 EGAEHO CC(C)Oc1ccccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536898 462171560 /nfs/dbraw/zinc/17/15/60/462171560.db2.gz TUEDFENOQRBKIT-UHFFFAOYSA-N 1 3 346.515 3.454 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000657790679 462266925 /nfs/dbraw/zinc/26/69/25/462266925.db2.gz MQEKLKVMNIDQMK-PWRODBHTSA-N 1 3 340.442 3.194 10 0 EGAEHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000657873925 462304734 /nfs/dbraw/zinc/30/47/34/462304734.db2.gz OPDFBCSXFTYYTE-SFHVURJKSA-N 1 3 334.529 3.019 10 0 EGAEHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713789 462312041 /nfs/dbraw/zinc/31/20/41/462312041.db2.gz DOTGESZRRRAQPY-GOEBONIOSA-N 1 3 340.870 3.293 10 0 EGAEHO OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713789 462312047 /nfs/dbraw/zinc/31/20/47/462312047.db2.gz DOTGESZRRRAQPY-GOEBONIOSA-N 1 3 340.870 3.293 10 0 EGAEHO Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000665129560 462320540 /nfs/dbraw/zinc/32/05/40/462320540.db2.gz YEUWHMAUGBUXNB-KRWDZBQOSA-N 1 3 334.508 3.005 10 0 EGAEHO Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000665129560 462320543 /nfs/dbraw/zinc/32/05/43/462320543.db2.gz YEUWHMAUGBUXNB-KRWDZBQOSA-N 1 3 334.508 3.005 10 0 EGAEHO COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000657969716 462331434 /nfs/dbraw/zinc/33/14/34/462331434.db2.gz UESZZDUNHHDOHA-NEWSRXKRSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969716 462331439 /nfs/dbraw/zinc/33/14/39/462331439.db2.gz UESZZDUNHHDOHA-NEWSRXKRSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969716 462331448 /nfs/dbraw/zinc/33/14/48/462331448.db2.gz UESZZDUNHHDOHA-NEWSRXKRSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000657969717 462331863 /nfs/dbraw/zinc/33/18/63/462331863.db2.gz UESZZDUNHHDOHA-QRQLOZEOSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969717 462331870 /nfs/dbraw/zinc/33/18/70/462331870.db2.gz UESZZDUNHHDOHA-QRQLOZEOSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969717 462331878 /nfs/dbraw/zinc/33/18/78/462331878.db2.gz UESZZDUNHHDOHA-QRQLOZEOSA-N 1 3 338.536 3.061 10 0 EGAEHO Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000658127749 462396658 /nfs/dbraw/zinc/39/66/58/462396658.db2.gz VSQPAQMEDLCNLL-KRWDZBQOSA-N 1 3 327.472 3.224 10 0 EGAEHO CCC[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658136252 462400795 /nfs/dbraw/zinc/40/07/95/462400795.db2.gz GJQRLBPKLDCMHH-LEWJYISDSA-N 1 3 339.483 3.279 10 0 EGAEHO CCC[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658136252 462400801 /nfs/dbraw/zinc/40/08/01/462400801.db2.gz GJQRLBPKLDCMHH-LEWJYISDSA-N 1 3 339.483 3.279 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138788 462402895 /nfs/dbraw/zinc/40/28/95/462402895.db2.gz OFASBYYHRNACEZ-LEWJYISDSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138788 462402899 /nfs/dbraw/zinc/40/28/99/462402899.db2.gz OFASBYYHRNACEZ-LEWJYISDSA-N 1 3 339.483 3.135 10 0 EGAEHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCCCC1 ZINC000658142523 462404931 /nfs/dbraw/zinc/40/49/31/462404931.db2.gz ZSFVXIHUIGEIPL-FXAWDEMLSA-N 1 3 346.515 3.081 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCO[C@H]2CC2(F)F)CC1 ZINC000658169601 462417410 /nfs/dbraw/zinc/41/74/10/462417410.db2.gz HJMNJBOXIMAUOM-YJBOKZPZSA-N 1 3 338.442 3.096 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319434 462474648 /nfs/dbraw/zinc/47/46/48/462474648.db2.gz AVNIYSHWDUPZND-PXNSSMCTSA-N 1 3 338.499 3.373 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@@H]2CCOC2)CC1 ZINC000678152144 549411454 /nfs/dbraw/zinc/41/14/54/549411454.db2.gz XNHQLIWGTKMHDN-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@@H]2CCOC2)CC1 ZINC000678152144 549411461 /nfs/dbraw/zinc/41/14/61/549411461.db2.gz XNHQLIWGTKMHDN-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO COCC[C@H]1CCCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084421 549951754 /nfs/dbraw/zinc/95/17/54/549951754.db2.gz ILLYYPPUUXSGIF-GOSISDBHSA-N 1 3 334.504 3.266 10 0 EGAEHO COCC[C@H]1CCCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084421 549951757 /nfs/dbraw/zinc/95/17/57/549951757.db2.gz ILLYYPPUUXSGIF-GOSISDBHSA-N 1 3 334.504 3.266 10 0 EGAEHO CC[NH+](CC)C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066395069 1292114563 /nfs/dbraw/zinc/11/45/63/1292114563.db2.gz NVMTVRLNKFXKJT-UHFFFAOYSA-N 1 3 343.515 3.229 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000235366922 1296184723 /nfs/dbraw/zinc/18/47/23/1296184723.db2.gz MUNBEGOVTVEYGX-IPYPFGDCSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000235366922 1296184728 /nfs/dbraw/zinc/18/47/28/1296184728.db2.gz MUNBEGOVTVEYGX-IPYPFGDCSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000235366922 1296184734 /nfs/dbraw/zinc/18/47/34/1296184734.db2.gz MUNBEGOVTVEYGX-IPYPFGDCSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N(C)CCCCCC[NH3+] ZINC000872155688 1296773739 /nfs/dbraw/zinc/77/37/39/1296773739.db2.gz YLQSZLGTVCWDEY-JKSUJKDBSA-N 1 3 345.487 3.449 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC000300529836 1296783613 /nfs/dbraw/zinc/78/36/13/1296783613.db2.gz NUEHMLFGEKONDJ-VNHYZAJKSA-N 1 3 325.294 3.439 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC000300529836 1296783627 /nfs/dbraw/zinc/78/36/27/1296783627.db2.gz NUEHMLFGEKONDJ-VNHYZAJKSA-N 1 3 325.294 3.439 10 0 EGAEHO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000397994309 1297709499 /nfs/dbraw/zinc/70/94/99/1297709499.db2.gz BJPDQNFJJMWCEY-VTHDOGFWSA-N 1 3 329.532 3.358 10 0 EGAEHO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886631244 1303533576 /nfs/dbraw/zinc/53/35/76/1303533576.db2.gz HZOZEYRRMVUWLL-JBINPLMMSA-N 1 3 330.516 3.426 10 0 EGAEHO CC(C)Cc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930135883 1328795077 /nfs/dbraw/zinc/79/50/77/1328795077.db2.gz HMYHACDGQNWDIY-UGKGYDQZSA-N 1 3 343.559 3.343 10 0 EGAEHO C[C@@H](NC[C@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376100 1322742105 /nfs/dbraw/zinc/74/21/05/1322742105.db2.gz HVOPOSKTDBULLJ-NXEZZACHSA-N 1 3 333.234 3.162 10 0 EGAEHO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504117 1322764415 /nfs/dbraw/zinc/76/44/15/1322764415.db2.gz NYKYFQJTIJZBJF-INMHGKMJSA-N 1 3 325.456 3.084 10 0 EGAEHO C[C@@]12CN(CCCn3ccnc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931217390 1329072536 /nfs/dbraw/zinc/07/25/36/1329072536.db2.gz ORRPEROLXJOMSU-SFTDATJTSA-N 1 3 338.499 3.117 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccnn2C2CCC2)[C@@H](C)C1 ZINC000925079710 1323270979 /nfs/dbraw/zinc/27/09/79/1323270979.db2.gz YIQJREZXKOBQDJ-SCTDSRPQSA-N 1 3 348.535 3.396 10 0 EGAEHO FC(F)(F)c1csc(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925524987 1325190343 /nfs/dbraw/zinc/19/03/43/1325190343.db2.gz CVGUGYVOPAAGBB-STQMWFEESA-N 1 3 347.450 3.462 10 0 EGAEHO c1cc2c(cc1CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)OCCO2 ZINC000925581634 1325219679 /nfs/dbraw/zinc/21/96/79/1325219679.db2.gz UDPYVNKROOBIQW-OALUTQOASA-N 1 3 344.499 3.148 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000925597851 1325227844 /nfs/dbraw/zinc/22/78/44/1325227844.db2.gz OJQYPMPXSIBDEH-LSDHHAIUSA-N 1 3 348.878 3.428 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000925674899 1325258099 /nfs/dbraw/zinc/25/80/99/1325258099.db2.gz FAGKBTZGOJPKJD-QXGSTGNESA-N 1 3 331.479 3.018 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925677046 1325259060 /nfs/dbraw/zinc/25/90/60/1325259060.db2.gz MZVOXQJQGVPOHD-CVEARBPZSA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1cccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)n1 ZINC000925677046 1325259066 /nfs/dbraw/zinc/25/90/66/1325259066.db2.gz MZVOXQJQGVPOHD-CVEARBPZSA-N 1 3 341.421 3.401 10 0 EGAEHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925779379 1325296820 /nfs/dbraw/zinc/29/68/20/1325296820.db2.gz YCGPUDXWGDIGEK-YPMHNXCESA-N 1 3 336.348 3.471 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(Br)c1 ZINC000925781287 1325298661 /nfs/dbraw/zinc/29/86/61/1325298661.db2.gz XXGJJIOVLNYQGF-ZYHUDNBSSA-N 1 3 333.220 3.345 10 0 EGAEHO Cc1cc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC000926910273 1327772145 /nfs/dbraw/zinc/77/21/45/1327772145.db2.gz JZVPDEVAYSTIGI-MZADTFQBSA-N 1 3 338.499 3.056 10 0 EGAEHO Cc1cc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC000926910273 1327772153 /nfs/dbraw/zinc/77/21/53/1327772153.db2.gz JZVPDEVAYSTIGI-MZADTFQBSA-N 1 3 338.499 3.056 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@@H]2C=C[C@H]4C[C@@H]2CO4)C3)cc1 ZINC000926939509 1327785774 /nfs/dbraw/zinc/78/57/74/1327785774.db2.gz VQGPEXVDHMILBO-RBFKZVKLSA-N 1 3 338.495 3.220 10 0 EGAEHO CC(C)CCN1CCC([NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)CC1 ZINC000927155470 1327896430 /nfs/dbraw/zinc/89/64/30/1327896430.db2.gz KHLKNQBEZDXOQW-OYRHEFFESA-N 1 3 330.516 3.179 10 0 EGAEHO CC(C)CC[NH+]1CCC(N[C@H]2C[C@@](CO)(c3ccccc3)C2)CC1 ZINC000927155470 1327896436 /nfs/dbraw/zinc/89/64/36/1327896436.db2.gz KHLKNQBEZDXOQW-OYRHEFFESA-N 1 3 330.516 3.179 10 0 EGAEHO CCOc1cc(F)cc(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000865417219 1329694493 /nfs/dbraw/zinc/69/44/93/1329694493.db2.gz CKHQOLVZUYVBHG-UHFFFAOYSA-N 1 3 346.446 3.455 10 0 EGAEHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001323287753 1387324045 /nfs/dbraw/zinc/32/40/45/1387324045.db2.gz UHUGARSGXPFWJT-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001323287753 1387324049 /nfs/dbraw/zinc/32/40/49/1387324049.db2.gz UHUGARSGXPFWJT-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001323669705 1387421069 /nfs/dbraw/zinc/42/10/69/1387421069.db2.gz JWEPCOBKHDHSHE-YQQQUEKLSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001324100399 1387542662 /nfs/dbraw/zinc/54/26/62/1387542662.db2.gz XGQQSPAPPLIMAE-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1)N(C)C ZINC001324511110 1387657314 /nfs/dbraw/zinc/65/73/14/1387657314.db2.gz YAJQHAXCWCSNKK-ROUUACIJSA-N 1 3 339.568 3.273 10 0 EGAEHO CCCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001324729312 1387754388 /nfs/dbraw/zinc/75/43/88/1387754388.db2.gz XIFOJDYOOJVGOE-FQEVSTJZSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001324797712 1387775848 /nfs/dbraw/zinc/77/58/48/1387775848.db2.gz KJPDXLLYVQWCMH-UYAOXDASSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001326566086 1388241529 /nfs/dbraw/zinc/24/15/29/1388241529.db2.gz FGMFIZRQZFMDKJ-VJANTYMQSA-N 1 3 337.552 3.170 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129051 1388392857 /nfs/dbraw/zinc/39/28/57/1388392857.db2.gz FLLZXNUJZJTHQT-IPLHWJFFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129051 1388392862 /nfs/dbraw/zinc/39/28/62/1388392862.db2.gz FLLZXNUJZJTHQT-IPLHWJFFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001265708135 1377163284 /nfs/dbraw/zinc/16/32/84/1377163284.db2.gz KCQKUYQHPJXHMI-KINGKOSLSA-N 1 3 346.519 3.224 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001265708135 1377163285 /nfs/dbraw/zinc/16/32/85/1377163285.db2.gz KCQKUYQHPJXHMI-KINGKOSLSA-N 1 3 346.519 3.224 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC1=CCCCC1)C1CC1 ZINC001266174803 1377216909 /nfs/dbraw/zinc/21/69/09/1377216909.db2.gz VDMNUFARLMLGPM-HXUWFJFHSA-N 1 3 347.547 3.332 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC1=CCCCC1)C1CC1 ZINC001266174803 1377216911 /nfs/dbraw/zinc/21/69/11/1377216911.db2.gz VDMNUFARLMLGPM-HXUWFJFHSA-N 1 3 347.547 3.332 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC1=CCCCC1)C1CC1 ZINC001266174802 1377216920 /nfs/dbraw/zinc/21/69/20/1377216920.db2.gz VDMNUFARLMLGPM-FQEVSTJZSA-N 1 3 347.547 3.332 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC1=CCCCC1)C1CC1 ZINC001266174802 1377216922 /nfs/dbraw/zinc/21/69/22/1377216922.db2.gz VDMNUFARLMLGPM-FQEVSTJZSA-N 1 3 347.547 3.332 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266489428 1377320271 /nfs/dbraw/zinc/32/02/71/1377320271.db2.gz DVRGQXZTXRSSIH-GBESFXJTSA-N 1 3 335.536 3.116 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266489428 1377320274 /nfs/dbraw/zinc/32/02/74/1377320274.db2.gz DVRGQXZTXRSSIH-GBESFXJTSA-N 1 3 335.536 3.116 10 0 EGAEHO CCCCC[NH2+]CC[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001269787316 1377571721 /nfs/dbraw/zinc/57/17/21/1377571721.db2.gz ZJEFZTDKVGHQIL-LJQANCHMSA-N 1 3 337.552 3.127 10 0 EGAEHO C[C@@H](CCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001283186348 1378755605 /nfs/dbraw/zinc/75/56/05/1378755605.db2.gz OAOWAVXQDXCQGE-HOTGVXAUSA-N 1 3 349.494 3.246 10 0 EGAEHO CC/C=C\CC[N@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001283332005 1378814912 /nfs/dbraw/zinc/81/49/12/1378814912.db2.gz MIOIZFFUDQWWBI-HJWRWDBZSA-N 1 3 337.552 3.243 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001283332005 1378814916 /nfs/dbraw/zinc/81/49/16/1378814916.db2.gz MIOIZFFUDQWWBI-HJWRWDBZSA-N 1 3 337.552 3.243 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001283677960 1379105423 /nfs/dbraw/zinc/10/54/23/1379105423.db2.gz KUZYVZGMOCEAPZ-APWZRJJASA-N 1 3 333.520 3.087 10 0 EGAEHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001327862166 1388608207 /nfs/dbraw/zinc/60/82/07/1388608207.db2.gz QZSARXQGOABBTP-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)CN1CCC(C)CC1 ZINC001284553280 1379960816 /nfs/dbraw/zinc/96/08/16/1379960816.db2.gz HNCIBKWPCDKYKY-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1=CCCCC1)C(=O)CN1CCC(C)CC1 ZINC001284553280 1379960817 /nfs/dbraw/zinc/96/08/17/1379960817.db2.gz HNCIBKWPCDKYKY-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001284652084 1380066188 /nfs/dbraw/zinc/06/61/88/1380066188.db2.gz FUPZRLDPXKMZMB-LJQANCHMSA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284723071 1380143422 /nfs/dbraw/zinc/14/34/22/1380143422.db2.gz ICXKNWPMVBQTLB-MSOLQXFVSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC(CC)C[NH+]1CCC(C2(NC(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001284846517 1380269371 /nfs/dbraw/zinc/26/93/71/1380269371.db2.gz PRGSKSKWFJPNHG-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001328586337 1388782017 /nfs/dbraw/zinc/78/20/17/1388782017.db2.gz AKKSFIKRALJJDO-GOSISDBHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001328586337 1388782019 /nfs/dbraw/zinc/78/20/19/1388782019.db2.gz AKKSFIKRALJJDO-GOSISDBHSA-N 1 3 337.552 3.079 10 0 EGAEHO Cc1ncsc1CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001169899606 1384196176 /nfs/dbraw/zinc/19/61/76/1384196176.db2.gz JLJBIAYNMZJMGB-KDURUIRLSA-N 1 3 341.524 3.448 10 0 EGAEHO Cc1ncsc1CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001169899606 1384196178 /nfs/dbraw/zinc/19/61/78/1384196178.db2.gz JLJBIAYNMZJMGB-KDURUIRLSA-N 1 3 341.524 3.448 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001316703471 1384530830 /nfs/dbraw/zinc/53/08/30/1384530830.db2.gz CYGVZTUKJWAPNZ-GGPKGHCWSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](CC1CC(C)C1)C1CC1 ZINC001316924759 1384696014 /nfs/dbraw/zinc/69/60/14/1384696014.db2.gz CUGXULIOJCOPAO-QLOJAFMTSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](CC1CC(C)C1)C1CC1 ZINC001316924759 1384696017 /nfs/dbraw/zinc/69/60/17/1384696017.db2.gz CUGXULIOJCOPAO-QLOJAFMTSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996005 1384753245 /nfs/dbraw/zinc/75/32/45/1384753245.db2.gz UGDLFPQNNAVSFV-PMACEKPBSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001317100206 1384863029 /nfs/dbraw/zinc/86/30/29/1384863029.db2.gz OGAPXINJNXXXNX-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@H]21 ZINC001317100206 1384863032 /nfs/dbraw/zinc/86/30/32/1384863032.db2.gz OGAPXINJNXXXNX-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001317100899 1384864400 /nfs/dbraw/zinc/86/44/00/1384864400.db2.gz ZAIGIWJDBBQRKA-UXHICEINSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001317100899 1384864404 /nfs/dbraw/zinc/86/44/04/1384864404.db2.gz ZAIGIWJDBBQRKA-UXHICEINSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1)N1CCCC1 ZINC001317137928 1384902396 /nfs/dbraw/zinc/90/23/96/1384902396.db2.gz KYUCQSDNIOAILF-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)N1CCCC1 ZINC001317137928 1384902397 /nfs/dbraw/zinc/90/23/97/1384902397.db2.gz KYUCQSDNIOAILF-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001317138855 1384904265 /nfs/dbraw/zinc/90/42/65/1384904265.db2.gz WHODIHCRZWTJLI-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001317138855 1384904270 /nfs/dbraw/zinc/90/42/70/1384904270.db2.gz WHODIHCRZWTJLI-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001317271057 1385041614 /nfs/dbraw/zinc/04/16/14/1385041614.db2.gz KMJBHJHNTXWIOC-IXAFFOJKSA-N 1 3 343.515 3.059 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001317397878 1385114052 /nfs/dbraw/zinc/11/40/52/1385114052.db2.gz YIURVGFSEBZCQW-QZTJIDSGSA-N 1 3 345.531 3.333 10 0 EGAEHO C[C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407035 1385119180 /nfs/dbraw/zinc/11/91/80/1385119180.db2.gz VFDVUKUPQCAWLW-BEFAXECRSA-N 1 3 343.531 3.120 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317530720 1385255405 /nfs/dbraw/zinc/25/54/05/1385255405.db2.gz ZAKGICFCFBWOEE-BGEOSOQGSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317530720 1385255409 /nfs/dbraw/zinc/25/54/09/1385255409.db2.gz ZAKGICFCFBWOEE-BGEOSOQGSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001317682280 1385392002 /nfs/dbraw/zinc/39/20/02/1385392002.db2.gz ADMMVEDFVYAZMU-CZXSNVBGSA-N 1 3 337.552 3.146 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317810800 1385508558 /nfs/dbraw/zinc/50/85/58/1385508558.db2.gz FRUJTSQSBNDVJT-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317810800 1385508560 /nfs/dbraw/zinc/50/85/60/1385508560.db2.gz FRUJTSQSBNDVJT-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001698621582 1406259464 /nfs/dbraw/zinc/25/94/64/1406259464.db2.gz WSZMXARQXMCHLT-UZLBHIALSA-N 1 3 345.531 3.061 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001319149349 1385980841 /nfs/dbraw/zinc/98/08/41/1385980841.db2.gz IXONNNLHLVWKHW-UHFFFAOYSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001319149349 1385980845 /nfs/dbraw/zinc/98/08/45/1385980845.db2.gz IXONNNLHLVWKHW-UHFFFAOYSA-N 1 3 347.547 3.142 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001319377970 1386091171 /nfs/dbraw/zinc/09/11/71/1386091171.db2.gz RRYHDMRYVOYGAG-MSOLQXFVSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001319609370 1386208032 /nfs/dbraw/zinc/20/80/32/1386208032.db2.gz LLVQNSNHDRDXMB-MSOLQXFVSA-N 1 3 339.568 3.416 10 0 EGAEHO Cc1ccc(C[NH2+]CC2(NC(=O)CN(C)C(C)C)CCCC2)c(C)c1 ZINC001698636970 1406283132 /nfs/dbraw/zinc/28/31/32/1406283132.db2.gz ZXFRTJYRTHBRND-UHFFFAOYSA-N 1 3 345.531 3.162 10 0 EGAEHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001319849314 1386333502 /nfs/dbraw/zinc/33/35/02/1386333502.db2.gz OCFBWYUKLVFOCV-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915852 1386388104 /nfs/dbraw/zinc/38/81/04/1386388104.db2.gz CAOIPUBZFTUNJX-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416817 1386604267 /nfs/dbraw/zinc/60/42/67/1386604267.db2.gz WMBYHFILKQKTQP-IRXDYDNUSA-N 1 3 325.541 3.170 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1)N(C)C ZINC001321896923 1387005767 /nfs/dbraw/zinc/00/57/67/1387005767.db2.gz KXFXHIUJXAGVGU-FRQCXROJSA-N 1 3 333.520 3.306 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C/C=C/c1ccccc1 ZINC001322845089 1387245933 /nfs/dbraw/zinc/24/59/33/1387245933.db2.gz WLPUGRAZHFGKMT-SQSZOCELSA-N 1 3 343.515 3.012 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001329459299 1389117363 /nfs/dbraw/zinc/11/73/63/1389117363.db2.gz ICVHGWFJVZMXPH-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001329459299 1389117366 /nfs/dbraw/zinc/11/73/66/1389117366.db2.gz ICVHGWFJVZMXPH-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC[C@H](C)F)CCCCC1 ZINC001329819499 1389230983 /nfs/dbraw/zinc/23/09/83/1389230983.db2.gz YOPYWRUNJBHPFU-IRXDYDNUSA-N 1 3 341.515 3.016 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001330501875 1389435234 /nfs/dbraw/zinc/43/52/34/1389435234.db2.gz KJVRZPOMHYSUJB-CSHXORCISA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001330501875 1389435238 /nfs/dbraw/zinc/43/52/38/1389435238.db2.gz KJVRZPOMHYSUJB-CSHXORCISA-N 1 3 349.563 3.243 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001331820255 1389879922 /nfs/dbraw/zinc/87/99/22/1389879922.db2.gz GSFJKRUYPRKODQ-GKCIPKSASA-N 1 3 342.462 3.084 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001332050518 1389958604 /nfs/dbraw/zinc/95/86/04/1389958604.db2.gz PUXNYUOIXNUJLT-RBUKOAKNSA-N 1 3 345.531 3.033 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698759955 1406413791 /nfs/dbraw/zinc/41/37/91/1406413791.db2.gz FVWXTVOREDVXMH-JKSUJKDBSA-N 1 3 349.494 3.103 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342340 1390091677 /nfs/dbraw/zinc/09/16/77/1390091677.db2.gz UCRLYLQVZMKKSX-OALUTQOASA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001332428435 1390114639 /nfs/dbraw/zinc/11/46/39/1390114639.db2.gz OZYZNUKZFJYARX-ROUUACIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001332960060 1390224580 /nfs/dbraw/zinc/22/45/80/1390224580.db2.gz LEMMDVDTJFGPCB-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CCCN3C(C)C)CC2)CC1 ZINC001333180302 1390262402 /nfs/dbraw/zinc/26/24/02/1390262402.db2.gz FEHQMKIWNMXZHU-LJQANCHMSA-N 1 3 349.563 3.410 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001479328088 1392215832 /nfs/dbraw/zinc/21/58/32/1392215832.db2.gz LIEABWRZTWTKMM-DRDDEIGGSA-N 1 3 335.536 3.090 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)N1CCCCCC1 ZINC001479328055 1392215856 /nfs/dbraw/zinc/21/58/56/1392215856.db2.gz KWGZOCANOHOZEC-RLLQIKCJSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001479476733 1392252156 /nfs/dbraw/zinc/25/21/56/1392252156.db2.gz WUOWGMZMJCRXQV-YZGWKJHDSA-N 1 3 347.547 3.093 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001479688638 1392320254 /nfs/dbraw/zinc/32/02/54/1392320254.db2.gz TVDFLRSDHHPRBV-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001479794496 1392393367 /nfs/dbraw/zinc/39/33/67/1392393367.db2.gz LSXBULXKUJNLAX-GOSISDBHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001479794496 1392393370 /nfs/dbraw/zinc/39/33/70/1392393370.db2.gz LSXBULXKUJNLAX-GOSISDBHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829688 1392416613 /nfs/dbraw/zinc/41/66/13/1392416613.db2.gz CPQIZUVCHIYRRP-HKUYNNGSSA-N 1 3 349.563 3.266 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001479953120 1392490278 /nfs/dbraw/zinc/49/02/78/1392490278.db2.gz BQYUCXSHGLITGF-IPLHWJFFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001479953120 1392490279 /nfs/dbraw/zinc/49/02/79/1392490279.db2.gz BQYUCXSHGLITGF-IPLHWJFFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001480306671 1392668827 /nfs/dbraw/zinc/66/88/27/1392668827.db2.gz LXMDDTQCNDBPJS-MOPGFXCFSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001480306678 1392668852 /nfs/dbraw/zinc/66/88/52/1392668852.db2.gz LXMDDTQCNDBPJS-RBUKOAKNSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001480411703 1392747166 /nfs/dbraw/zinc/74/71/66/1392747166.db2.gz SGZPKPQVVJYSBA-UHFFFAOYSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@H]([NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccc(F)cc1 ZINC001480515600 1392775954 /nfs/dbraw/zinc/77/59/54/1392775954.db2.gz HYEIKILPWDNBRE-QAPCUYQASA-N 1 3 349.494 3.246 10 0 EGAEHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001481194390 1393147655 /nfs/dbraw/zinc/14/76/55/1393147655.db2.gz HFVQIMUDFJBBCP-ICSRJNTNSA-N 1 3 347.547 3.188 10 0 EGAEHO CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001698882627 1406613586 /nfs/dbraw/zinc/61/35/86/1406613586.db2.gz GCDMCWXBXVTQPY-RTBURBONSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001698920626 1406656012 /nfs/dbraw/zinc/65/60/12/1406656012.db2.gz NGXZEPYTUFEGJQ-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001481508644 1394356528 /nfs/dbraw/zinc/35/65/28/1394356528.db2.gz KEMDLNNYACCXSL-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001481508644 1394356534 /nfs/dbraw/zinc/35/65/34/1394356534.db2.gz KEMDLNNYACCXSL-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740936 1394487161 /nfs/dbraw/zinc/48/71/61/1394487161.db2.gz GMVKTAWYCPJUBQ-PMACEKPBSA-N 1 3 345.531 3.148 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001491681032 1394524732 /nfs/dbraw/zinc/52/47/32/1394524732.db2.gz BAOAYGBJOZSLLP-QGZVFWFLSA-N 1 3 345.531 3.279 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001482238099 1394834242 /nfs/dbraw/zinc/83/42/42/1394834242.db2.gz GNTLULUYGAFWAY-LJQANCHMSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC1CCCC1 ZINC001698969584 1406732068 /nfs/dbraw/zinc/73/20/68/1406732068.db2.gz AGWBYEKSEJADRG-SFHVURJKSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001483847166 1395113659 /nfs/dbraw/zinc/11/36/59/1395113659.db2.gz GCVMJWNELMLWTR-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001483847166 1395113661 /nfs/dbraw/zinc/11/36/61/1395113661.db2.gz GCVMJWNELMLWTR-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3=CCCCC3)C2)CCC1 ZINC001484161807 1395296107 /nfs/dbraw/zinc/29/61/07/1395296107.db2.gz ZJWSOSRMVIAPKK-HXUWFJFHSA-N 1 3 347.547 3.189 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3=CCCCC3)C2)CCC1 ZINC001484161807 1395296110 /nfs/dbraw/zinc/29/61/10/1395296110.db2.gz ZJWSOSRMVIAPKK-HXUWFJFHSA-N 1 3 347.547 3.189 10 0 EGAEHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001484390451 1395360155 /nfs/dbraw/zinc/36/01/55/1395360155.db2.gz DHUKJXVFQQUOGG-YSTOQKLRSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001484390451 1395360161 /nfs/dbraw/zinc/36/01/61/1395360161.db2.gz DHUKJXVFQQUOGG-YSTOQKLRSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001484828392 1395565640 /nfs/dbraw/zinc/56/56/40/1395565640.db2.gz BIAAOQRQGFNSFQ-AZUAARDMSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001484828392 1395565643 /nfs/dbraw/zinc/56/56/43/1395565643.db2.gz BIAAOQRQGFNSFQ-AZUAARDMSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586754 1396061765 /nfs/dbraw/zinc/06/17/65/1396061765.db2.gz QKHSRKSPYVOHMD-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586754 1396061766 /nfs/dbraw/zinc/06/17/66/1396061766.db2.gz QKHSRKSPYVOHMD-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001485683144 1396103592 /nfs/dbraw/zinc/10/35/92/1396103592.db2.gz HCBATCAYAXVOES-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001486090013 1396176771 /nfs/dbraw/zinc/17/67/71/1396176771.db2.gz FFYBQQRSBRSZOH-HMTUNPETSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC/C=C/c1ccccc1 ZINC001499955682 1396185278 /nfs/dbraw/zinc/18/52/78/1396185278.db2.gz WMQYTWGIXRZNJR-BESKYLIDSA-N 1 3 343.515 3.011 10 0 EGAEHO CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)[C@@H](C(C)C)N(C)C ZINC001497486836 1396765549 /nfs/dbraw/zinc/76/55/49/1396765549.db2.gz USZKDYLNWCYJBI-HXUWFJFHSA-N 1 3 347.547 3.136 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001699017253 1406850545 /nfs/dbraw/zinc/85/05/45/1406850545.db2.gz MQDRIAVLTCQFFE-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001699017253 1406850553 /nfs/dbraw/zinc/85/05/53/1406850553.db2.gz MQDRIAVLTCQFFE-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001499243658 1397065349 /nfs/dbraw/zinc/06/53/49/1397065349.db2.gz LLCOKEZNKMERQE-MJGOQNOKSA-N 1 3 343.515 3.169 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC001689355211 1403688050 /nfs/dbraw/zinc/68/80/50/1403688050.db2.gz OOXCVJRFVKHRDK-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001689355211 1403688052 /nfs/dbraw/zinc/68/80/52/1403688052.db2.gz OOXCVJRFVKHRDK-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO C[C@H]([NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001690162904 1404361108 /nfs/dbraw/zinc/36/11/08/1404361108.db2.gz RELVSILRTHEDGL-LPHOPBHVSA-N 1 3 343.515 3.106 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168340 1404366852 /nfs/dbraw/zinc/36/68/52/1404366852.db2.gz COUCKZYQGDIRDI-LPHOPBHVSA-N 1 3 349.563 3.029 10 0 EGAEHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690199333 1404410037 /nfs/dbraw/zinc/41/00/37/1404410037.db2.gz PBTCWEJBJUCPSH-XOUUWWQPSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001690199333 1404410039 /nfs/dbraw/zinc/41/00/39/1404410039.db2.gz PBTCWEJBJUCPSH-XOUUWWQPSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001690423049 1404550630 /nfs/dbraw/zinc/55/06/30/1404550630.db2.gz GEXJXYQCNHPVOM-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505404 1404618599 /nfs/dbraw/zinc/61/85/99/1404618599.db2.gz SACNHAJFBVKTIR-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505404 1404618600 /nfs/dbraw/zinc/61/86/00/1404618600.db2.gz SACNHAJFBVKTIR-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001690881207 1404794337 /nfs/dbraw/zinc/79/43/37/1404794337.db2.gz MRDWJSPWNROLAY-QUCCMNQESA-N 1 3 345.531 3.162 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001725412897 1426057901 /nfs/dbraw/zinc/05/79/01/1426057901.db2.gz LNEAXWNFLIQJJI-HZPDHXFCSA-N 1 3 342.487 3.205 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001732001000 1428211688 /nfs/dbraw/zinc/21/16/88/1428211688.db2.gz PNTXHRCUXROIHB-IAGOWNOFSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001732001737 1428212417 /nfs/dbraw/zinc/21/24/17/1428212417.db2.gz XVWQJUIGLNHCSN-KRWDZBQOSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732002054 1428213008 /nfs/dbraw/zinc/21/30/08/1428213008.db2.gz ZGVBOFWILSVRBU-UEKDZROGSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097448 1405034120 /nfs/dbraw/zinc/03/41/20/1405034120.db2.gz LUJRSJBNKUJAJK-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097448 1405034126 /nfs/dbraw/zinc/03/41/26/1405034126.db2.gz LUJRSJBNKUJAJK-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691142988 1405076654 /nfs/dbraw/zinc/07/66/54/1405076654.db2.gz HVUOJLDAKPGBGF-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691142988 1405076656 /nfs/dbraw/zinc/07/66/56/1405076656.db2.gz HVUOJLDAKPGBGF-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691184504 1405122344 /nfs/dbraw/zinc/12/23/44/1405122344.db2.gz NZVOZONIGLCAJW-UAPYVXQJSA-N 1 3 345.531 3.135 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC=C(C)C ZINC001691518885 1405317530 /nfs/dbraw/zinc/31/75/30/1405317530.db2.gz XDDFPGOIEXAGDE-ZCNNSNEGSA-N 1 3 349.563 3.432 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@H+]1CC=C(C)C ZINC001691518885 1405317531 /nfs/dbraw/zinc/31/75/31/1405317531.db2.gz XDDFPGOIEXAGDE-ZCNNSNEGSA-N 1 3 349.563 3.432 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677650 1405411777 /nfs/dbraw/zinc/41/17/77/1405411777.db2.gz FOLDHUJFSXETDH-MOPGFXCFSA-N 1 3 349.563 3.076 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001692128154 1405787162 /nfs/dbraw/zinc/78/71/62/1405787162.db2.gz HDHUFAHMYQFNOD-HKUYNNGSSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001692275198 1405906294 /nfs/dbraw/zinc/90/62/94/1405906294.db2.gz BZNVSQOBVQWMBZ-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001692275198 1405906298 /nfs/dbraw/zinc/90/62/98/1405906298.db2.gz BZNVSQOBVQWMBZ-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C)[NH+](CC)CC ZINC001692376169 1405982454 /nfs/dbraw/zinc/98/24/54/1405982454.db2.gz GLXZZKSUJVMRJO-BZSNNMDCSA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001732021091 1428238245 /nfs/dbraw/zinc/23/82/45/1428238245.db2.gz AYGHVTCVWNSWNP-IEBWSBKVSA-N 1 3 345.531 3.354 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200309 1428450825 /nfs/dbraw/zinc/45/08/25/1428450825.db2.gz XKGAUAOBFBEMLA-RTBURBONSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001732324193 1428533081 /nfs/dbraw/zinc/53/30/81/1428533081.db2.gz BFEAXSDZVXEKEM-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001732491498 1428613940 /nfs/dbraw/zinc/61/39/40/1428613940.db2.gz QEUXZKWYCQMANA-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001732517734 1428636424 /nfs/dbraw/zinc/63/64/24/1428636424.db2.gz MTFGMKBPOZPUSD-IBGZPJMESA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141358 1412531835 /nfs/dbraw/zinc/53/18/35/1412531835.db2.gz UVAADUDZUYPNQI-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001699464574 1412827255 /nfs/dbraw/zinc/82/72/55/1412827255.db2.gz SIZBVZYNIGMCFY-AZUAARDMSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001699464574 1412827260 /nfs/dbraw/zinc/82/72/60/1412827260.db2.gz SIZBVZYNIGMCFY-AZUAARDMSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486278 1412881834 /nfs/dbraw/zinc/88/18/34/1412881834.db2.gz GUEZKXCGUXBSBN-RTBURBONSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1)N1CCCC1 ZINC001699626146 1412992428 /nfs/dbraw/zinc/99/24/28/1412992428.db2.gz JRSGUQIRRZHVOC-GOSISDBHSA-N 1 3 347.547 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1)N1CCCC1 ZINC001699626146 1412992431 /nfs/dbraw/zinc/99/24/31/1412992431.db2.gz JRSGUQIRRZHVOC-GOSISDBHSA-N 1 3 347.547 3.022 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1)N(C)C ZINC001699796860 1413205905 /nfs/dbraw/zinc/20/59/05/1413205905.db2.gz QTGRYGNZNGXLGG-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001700252979 1413700490 /nfs/dbraw/zinc/70/04/90/1413700490.db2.gz JFIBUEAGXXBTIU-UHFFFAOYSA-N 1 3 331.504 3.005 10 0 EGAEHO CC(C)CC[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001700252979 1413700491 /nfs/dbraw/zinc/70/04/91/1413700491.db2.gz JFIBUEAGXXBTIU-UHFFFAOYSA-N 1 3 331.504 3.005 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1)N(C)C ZINC001700286864 1413734672 /nfs/dbraw/zinc/73/46/72/1413734672.db2.gz WTZDCTSIMPLQKO-SFHVURJKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001700323660 1413791595 /nfs/dbraw/zinc/79/15/95/1413791595.db2.gz JXOLCAQVEZCGCB-DLBZAZTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001700323660 1413791601 /nfs/dbraw/zinc/79/16/01/1413791601.db2.gz JXOLCAQVEZCGCB-DLBZAZTESA-N 1 3 325.541 3.122 10 0 EGAEHO CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001700545548 1414214086 /nfs/dbraw/zinc/21/40/86/1414214086.db2.gz JGCIKNTUSCQTAN-QWCIBIBSSA-N 1 3 349.563 3.432 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001700677346 1414332872 /nfs/dbraw/zinc/33/28/72/1414332872.db2.gz DMCIPTYFYHKPPV-SFHVURJKSA-N 1 3 345.531 3.162 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001700860237 1414509095 /nfs/dbraw/zinc/50/90/95/1414509095.db2.gz SDTFYPTZSJCPEP-UEALOQRBSA-N 1 3 343.515 3.297 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC001701001261 1414653617 /nfs/dbraw/zinc/65/36/17/1414653617.db2.gz NUOFUEVALJHBCF-FUHWJXTLSA-N 1 3 333.520 3.208 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001701032995 1414697308 /nfs/dbraw/zinc/69/73/08/1414697308.db2.gz UTXVHUPNJNBPOG-CALCHBBNSA-N 1 3 347.547 3.020 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cc2ccccc2s1 ZINC001732754632 1428949562 /nfs/dbraw/zinc/94/95/62/1428949562.db2.gz OMLVMRKIACBZPN-HNNXBMFYSA-N 1 3 347.528 3.226 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732801007 1428980486 /nfs/dbraw/zinc/98/04/86/1428980486.db2.gz DXWNTVXGNWAVBZ-MSOLQXFVSA-N 1 3 349.544 3.012 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001732801007 1428980491 /nfs/dbraw/zinc/98/04/91/1428980491.db2.gz DXWNTVXGNWAVBZ-MSOLQXFVSA-N 1 3 349.544 3.012 10 0 EGAEHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707057957 1417173664 /nfs/dbraw/zinc/17/36/64/1417173664.db2.gz CQKHXWYSNDXEHF-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN1CCC1CCCC1)[NH+]1CCCC1 ZINC001707062228 1417177668 /nfs/dbraw/zinc/17/76/68/1417177668.db2.gz LTWHBSYVNYPAFF-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001707163771 1417226337 /nfs/dbraw/zinc/22/63/37/1417226337.db2.gz OQFUHNGSTCBPQL-XSXCZSQGSA-N 1 3 349.563 3.291 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253611 1417267079 /nfs/dbraw/zinc/26/70/79/1417267079.db2.gz XYUPUTLQJDLBLK-IEVDXQOXSA-N 1 3 349.563 3.432 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001707253611 1417267081 /nfs/dbraw/zinc/26/70/81/1417267081.db2.gz XYUPUTLQJDLBLK-IEVDXQOXSA-N 1 3 349.563 3.432 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381518 1417304287 /nfs/dbraw/zinc/30/42/87/1417304287.db2.gz QHHCDEUOKQYSFL-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381518 1417304290 /nfs/dbraw/zinc/30/42/90/1417304290.db2.gz QHHCDEUOKQYSFL-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C)c1ccccc1F ZINC001713027993 1417579950 /nfs/dbraw/zinc/57/99/50/1417579950.db2.gz PMUZCBLIXZIDJM-IRXDYDNUSA-N 1 3 349.494 3.057 10 0 EGAEHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1ccccc1F ZINC001713027993 1417579953 /nfs/dbraw/zinc/57/99/53/1417579953.db2.gz PMUZCBLIXZIDJM-IRXDYDNUSA-N 1 3 349.494 3.057 10 0 EGAEHO CN(C(=O)CC[NH+]1CCCCC1)C1CCN(Cc2ccsc2)CC1 ZINC001713056541 1417610031 /nfs/dbraw/zinc/61/00/31/1417610031.db2.gz FDMOMDDYULIYHA-UHFFFAOYSA-N 1 3 349.544 3.047 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001713233023 1417820184 /nfs/dbraw/zinc/82/01/84/1417820184.db2.gz JQMOAULONMTVNN-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713563371 1418367347 /nfs/dbraw/zinc/36/73/47/1418367347.db2.gz KATTXNIGJWYHFV-UXHICEINSA-N 1 3 345.531 3.084 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001713563371 1418367350 /nfs/dbraw/zinc/36/73/50/1418367350.db2.gz KATTXNIGJWYHFV-UXHICEINSA-N 1 3 345.531 3.084 10 0 EGAEHO CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001713702862 1418461644 /nfs/dbraw/zinc/46/16/44/1418461644.db2.gz QBIVAZVFDINPTB-OALUTQOASA-N 1 3 331.504 3.106 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001713775745 1418591532 /nfs/dbraw/zinc/59/15/32/1418591532.db2.gz PWGZOGUVYVCJLI-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001713775745 1418591535 /nfs/dbraw/zinc/59/15/35/1418591535.db2.gz PWGZOGUVYVCJLI-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[NH+]1CCC(N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001713779114 1418595010 /nfs/dbraw/zinc/59/50/10/1418595010.db2.gz MBSFRWQVJUNUFA-UHFFFAOYSA-N 1 3 337.552 3.364 10 0 EGAEHO CCc1cccc(C[NH+]2CCC(N(C)C(=O)CN(C)C(C)C)CC2)c1 ZINC001713785552 1418602492 /nfs/dbraw/zinc/60/24/92/1418602492.db2.gz TWUCXMVLJNADTR-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO CC/C=C/CCN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804930 1418618031 /nfs/dbraw/zinc/61/80/31/1418618031.db2.gz UENRHNCUKVTCMU-WLMAVBAVSA-N 1 3 335.536 3.044 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001713890791 1418686915 /nfs/dbraw/zinc/68/69/15/1418686915.db2.gz BOLHKOLGHPLFCP-KRWDZBQOSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001713890791 1418686918 /nfs/dbraw/zinc/68/69/18/1418686918.db2.gz BOLHKOLGHPLFCP-KRWDZBQOSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001714188058 1418994967 /nfs/dbraw/zinc/99/49/67/1418994967.db2.gz SWQWEZYPMUNWKN-CTWPCTMYSA-N 1 3 337.552 3.312 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714418894 1419155692 /nfs/dbraw/zinc/15/56/92/1419155692.db2.gz HMWWWWXCVSVNLO-WMZOPIPTSA-N 1 3 345.531 3.272 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CCC(C)(C)C ZINC001714594436 1419344547 /nfs/dbraw/zinc/34/45/47/1419344547.db2.gz LHVUTBBCALNCJY-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CCC(C)(C)C ZINC001714594436 1419344550 /nfs/dbraw/zinc/34/45/50/1419344550.db2.gz LHVUTBBCALNCJY-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001714923107 1419675430 /nfs/dbraw/zinc/67/54/30/1419675430.db2.gz BCIZFTRJHFPUAP-HXUWFJFHSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001714923107 1419675434 /nfs/dbraw/zinc/67/54/34/1419675434.db2.gz BCIZFTRJHFPUAP-HXUWFJFHSA-N 1 3 345.531 3.379 10 0 EGAEHO CCC(CC)C[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001715169233 1419907363 /nfs/dbraw/zinc/90/73/63/1419907363.db2.gz BFCDJVYHDOPSTL-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001715190779 1419922963 /nfs/dbraw/zinc/92/29/63/1419922963.db2.gz KWYSBACQWHAUIB-MXVIHJGJSA-N 1 3 345.531 3.106 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)C1 ZINC001715194835 1419926797 /nfs/dbraw/zinc/92/67/97/1419926797.db2.gz DHYJUPHAMITBLS-KRWDZBQOSA-N 1 3 345.531 3.170 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001715417210 1420110968 /nfs/dbraw/zinc/11/09/68/1420110968.db2.gz MJUUGIRCGSMPMQ-HKUYNNGSSA-N 1 3 349.563 3.291 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715433348 1420121437 /nfs/dbraw/zinc/12/14/37/1420121437.db2.gz BWFWZACWGNMYIQ-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001715710345 1420305224 /nfs/dbraw/zinc/30/52/24/1420305224.db2.gz BCQPVXPTWJLCOW-ICSRJNTNSA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716066996 1420524965 /nfs/dbraw/zinc/52/49/65/1420524965.db2.gz KBTGILBTVZVGQC-DLBZAZTESA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716066997 1420525163 /nfs/dbraw/zinc/52/51/63/1420525163.db2.gz KBTGILBTVZVGQC-IAGOWNOFSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001716174370 1420551538 /nfs/dbraw/zinc/55/15/38/1420551538.db2.gz QNGADFCATZBOLG-IRXDYDNUSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515308 1420744851 /nfs/dbraw/zinc/74/48/51/1420744851.db2.gz IOBXQDWAAYDVSE-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@H](CC)C1 ZINC001716639719 1420796602 /nfs/dbraw/zinc/79/66/02/1420796602.db2.gz RWRKDMXNCXVBAM-MOPGFXCFSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1cc(C)c(CN2CC[C@@H]2CNC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001716667578 1420821825 /nfs/dbraw/zinc/82/18/25/1420821825.db2.gz CUURRYMPEXMHON-LJQANCHMSA-N 1 3 345.531 3.034 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001716700635 1420853369 /nfs/dbraw/zinc/85/33/69/1420853369.db2.gz KSBIADOVTUZYGZ-IAGOWNOFSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001716733204 1420891723 /nfs/dbraw/zinc/89/17/23/1420891723.db2.gz BEEJAUBAPZLYHA-CTNGQTDRSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001716733204 1420891724 /nfs/dbraw/zinc/89/17/24/1420891724.db2.gz BEEJAUBAPZLYHA-CTNGQTDRSA-N 1 3 349.563 3.366 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001716784500 1420920798 /nfs/dbraw/zinc/92/07/98/1420920798.db2.gz XQPFSTFLRPJKSW-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001716788680 1420923340 /nfs/dbraw/zinc/92/33/40/1420923340.db2.gz QZBKISIUBUYIMD-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716798751 1420931786 /nfs/dbraw/zinc/93/17/86/1420931786.db2.gz FBDWOKDZADOVHU-ROUUACIJSA-N 1 3 347.547 3.330 10 0 EGAEHO C[C@]1(C[NH2+]CCC2CCCCCC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001716874330 1421001044 /nfs/dbraw/zinc/00/10/44/1421001044.db2.gz AURJHQDVSOXNMF-HXUWFJFHSA-N 1 3 346.519 3.141 10 0 EGAEHO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001717114731 1421118469 /nfs/dbraw/zinc/11/84/69/1421118469.db2.gz GGXJGBPMYKNUNY-IRXDYDNUSA-N 1 3 345.531 3.484 10 0 EGAEHO CC1CCC(C[N@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001717207594 1421178924 /nfs/dbraw/zinc/17/89/24/1421178924.db2.gz HXKWTYGMBGNEOS-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC1CCC(C[N@@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001717207594 1421178926 /nfs/dbraw/zinc/17/89/26/1421178926.db2.gz HXKWTYGMBGNEOS-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216035 1421193982 /nfs/dbraw/zinc/19/39/82/1421193982.db2.gz CJTLPQCTDHILPB-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216035 1421193985 /nfs/dbraw/zinc/19/39/85/1421193985.db2.gz CJTLPQCTDHILPB-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001733292176 1429471597 /nfs/dbraw/zinc/47/15/97/1429471597.db2.gz HWWJUZVVDJCSAX-UHFFFAOYSA-N 1 3 347.547 3.142 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001717411480 1421343736 /nfs/dbraw/zinc/34/37/36/1421343736.db2.gz SXUABRIUHQNYQF-IAGOWNOFSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)cc1C ZINC001717422378 1421352207 /nfs/dbraw/zinc/35/22/07/1421352207.db2.gz FPZPEDOWJSGTOF-ZWKOTPCHSA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001717422819 1421352905 /nfs/dbraw/zinc/35/29/05/1421352905.db2.gz LFTUUSHBRKBQIP-DLBZAZTESA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001717749914 1421612512 /nfs/dbraw/zinc/61/25/12/1421612512.db2.gz KUZYVZGMOCEAPZ-VQIMIIECSA-N 1 3 333.520 3.087 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717884152 1421687406 /nfs/dbraw/zinc/68/74/06/1421687406.db2.gz HOQCZABDWPFECS-QZTJIDSGSA-N 1 3 346.519 3.106 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717884154 1421687641 /nfs/dbraw/zinc/68/76/41/1421687641.db2.gz HOQCZABDWPFECS-ZWKOTPCHSA-N 1 3 346.519 3.106 10 0 EGAEHO CCCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001717960011 1421731800 /nfs/dbraw/zinc/73/18/00/1421731800.db2.gz UNISSUBSWOCQHU-SJORKVTESA-N 1 3 325.541 3.170 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001717980744 1421752308 /nfs/dbraw/zinc/75/23/08/1421752308.db2.gz KEWCJJRAOPALHL-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC001733457701 1429677762 /nfs/dbraw/zinc/67/77/62/1429677762.db2.gz AOQLUQOKIOWCBY-UYAOXDASSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)C)C1 ZINC001733457701 1429677764 /nfs/dbraw/zinc/67/77/64/1429677764.db2.gz AOQLUQOKIOWCBY-UYAOXDASSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001733458963 1429680750 /nfs/dbraw/zinc/68/07/50/1429680750.db2.gz JTHDDRIPNGUNRS-VKEZQZQQSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001733458963 1429680753 /nfs/dbraw/zinc/68/07/53/1429680753.db2.gz JTHDDRIPNGUNRS-VKEZQZQQSA-N 1 3 349.563 3.435 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1)C1CCC1 ZINC001723906592 1424602895 /nfs/dbraw/zinc/60/28/95/1424602895.db2.gz UBVOAOPSKMASFB-FQEVSTJZSA-N 1 3 349.563 3.412 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001724176681 1424712898 /nfs/dbraw/zinc/71/28/98/1424712898.db2.gz XTFANXAKNIXAQG-HOHWPDKRSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001724176681 1424712900 /nfs/dbraw/zinc/71/29/00/1424712900.db2.gz XTFANXAKNIXAQG-HOHWPDKRSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001724248655 1424754402 /nfs/dbraw/zinc/75/44/02/1424754402.db2.gz DZFRGZMLRQDYKM-MHVQWJQTSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)N(C)C ZINC001733562938 1429760585 /nfs/dbraw/zinc/76/05/85/1429760585.db2.gz GPFPCBGPQDOUGX-IYWMVGAKSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)N(C)C ZINC001733562938 1429760586 /nfs/dbraw/zinc/76/05/86/1429760586.db2.gz GPFPCBGPQDOUGX-IYWMVGAKSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCCCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001724759894 1425131148 /nfs/dbraw/zinc/13/11/48/1425131148.db2.gz SAKCIEHTFPRUPK-RTBURBONSA-N 1 3 349.563 3.364 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725007207 1425421642 /nfs/dbraw/zinc/42/16/42/1425421642.db2.gz OQHLWCABDUQZID-KRCKVYFQSA-N 1 3 341.515 3.040 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001725173439 1425685071 /nfs/dbraw/zinc/68/50/71/1425685071.db2.gz BPLAVSOKNJWIQR-QGZVFWFLSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCCCC[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001725426584 1426087851 /nfs/dbraw/zinc/08/78/51/1426087851.db2.gz WGWFBFPNNAJPSR-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001725426584 1426087859 /nfs/dbraw/zinc/08/78/59/1426087859.db2.gz WGWFBFPNNAJPSR-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC[C@@H](C(=O)NCC1=CC[N@H+](CCC2CCCCCC2)CC1)N(C)C ZINC001725823776 1426498600 /nfs/dbraw/zinc/49/86/00/1426498600.db2.gz MLSRJNCDAOHGHE-FQEVSTJZSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H](C(=O)NCC1=CC[N@@H+](CCC2CCCCCC2)CC1)N(C)C ZINC001725823776 1426498603 /nfs/dbraw/zinc/49/86/03/1426498603.db2.gz MLSRJNCDAOHGHE-FQEVSTJZSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001725833511 1426512721 /nfs/dbraw/zinc/51/27/21/1426512721.db2.gz LAHVFWOHALNJGP-UHFFFAOYSA-N 1 3 335.536 3.047 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001725833511 1426512723 /nfs/dbraw/zinc/51/27/23/1426512723.db2.gz LAHVFWOHALNJGP-UHFFFAOYSA-N 1 3 335.536 3.047 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001731488223 1427462735 /nfs/dbraw/zinc/46/27/35/1427462735.db2.gz RKJYXVLKVVZCJR-YRXWBPOGSA-N 1 3 337.552 3.168 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498976 1427477051 /nfs/dbraw/zinc/47/70/51/1427477051.db2.gz BNWHAGUEYPVZFT-RURPWVQCSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498976 1427477053 /nfs/dbraw/zinc/47/70/53/1427477053.db2.gz BNWHAGUEYPVZFT-RURPWVQCSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498969 1427477503 /nfs/dbraw/zinc/47/75/03/1427477503.db2.gz BNWHAGUEYPVZFT-GHOSXJJBSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498969 1427477489 /nfs/dbraw/zinc/47/74/89/1427477489.db2.gz BNWHAGUEYPVZFT-GHOSXJJBSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001731559966 1427593980 /nfs/dbraw/zinc/59/39/80/1427593980.db2.gz TZIFLHMLXJSHBK-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001731559966 1427593986 /nfs/dbraw/zinc/59/39/86/1427593986.db2.gz TZIFLHMLXJSHBK-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001731679642 1427727868 /nfs/dbraw/zinc/72/78/68/1427727868.db2.gz MTAWPLXJYFSHKD-OALUTQOASA-N 1 3 345.531 3.144 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)c1 ZINC001731682523 1427730173 /nfs/dbraw/zinc/73/01/73/1427730173.db2.gz WNDLYXTZWCQDKM-SFHVURJKSA-N 1 3 345.531 3.236 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001731740685 1427828543 /nfs/dbraw/zinc/82/85/43/1427828543.db2.gz XYDMLNKHHJKHDF-MJGOQNOKSA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001731840979 1428062692 /nfs/dbraw/zinc/06/26/92/1428062692.db2.gz IANGUQRCKNGPNM-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001731840979 1428062697 /nfs/dbraw/zinc/06/26/97/1428062697.db2.gz IANGUQRCKNGPNM-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847912 1428074096 /nfs/dbraw/zinc/07/40/96/1428074096.db2.gz UZOYEGKITIAJAS-DUMMIQTOSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847912 1428074097 /nfs/dbraw/zinc/07/40/97/1428074097.db2.gz UZOYEGKITIAJAS-DUMMIQTOSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001731854095 1428085254 /nfs/dbraw/zinc/08/52/54/1428085254.db2.gz CBJYOMNRNOAJAS-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001731854095 1428085257 /nfs/dbraw/zinc/08/52/57/1428085257.db2.gz CBJYOMNRNOAJAS-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885098 1428160080 /nfs/dbraw/zinc/16/00/80/1428160080.db2.gz FCQWEBVBZBCOEB-IAGOWNOFSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885098 1428160082 /nfs/dbraw/zinc/16/00/82/1428160082.db2.gz FCQWEBVBZBCOEB-IAGOWNOFSA-N 1 3 347.547 3.020 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)CC2 ZINC001733695512 1429913560 /nfs/dbraw/zinc/91/35/60/1429913560.db2.gz GOZKPTGFRXZTMU-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763385 1429981809 /nfs/dbraw/zinc/98/18/09/1429981809.db2.gz JNJFBFBQTFDMOM-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763385 1429981812 /nfs/dbraw/zinc/98/18/12/1429981812.db2.gz JNJFBFBQTFDMOM-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766143 1429988030 /nfs/dbraw/zinc/98/80/30/1429988030.db2.gz CBZLAPAOWJZIPJ-AZUAARDMSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766143 1429988032 /nfs/dbraw/zinc/98/80/32/1429988032.db2.gz CBZLAPAOWJZIPJ-AZUAARDMSA-N 1 3 345.531 3.367 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001733814794 1430095696 /nfs/dbraw/zinc/09/56/96/1430095696.db2.gz WGUIWGHHSICXNT-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001733814794 1430095700 /nfs/dbraw/zinc/09/57/00/1430095700.db2.gz WGUIWGHHSICXNT-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CC1CCC(C)CC1 ZINC001734044648 1437833043 /nfs/dbraw/zinc/83/30/43/1437833043.db2.gz PNTMVHRFSDRRCC-ADKAHSJRSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CC1CCC(C)CC1 ZINC001734044648 1437833046 /nfs/dbraw/zinc/83/30/46/1437833046.db2.gz PNTMVHRFSDRRCC-ADKAHSJRSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001734550553 1438147488 /nfs/dbraw/zinc/14/74/88/1438147488.db2.gz IETONHXWNFRZKG-RBUKOAKNSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001734550553 1438147489 /nfs/dbraw/zinc/14/74/89/1438147489.db2.gz IETONHXWNFRZKG-RBUKOAKNSA-N 1 3 345.531 3.258 10 0 EGAEHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734579667 1438171954 /nfs/dbraw/zinc/17/19/54/1438171954.db2.gz HQEQXGKSFLLJBU-ZWKOTPCHSA-N 1 3 349.563 3.125 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353432396 283138615 /nfs/dbraw/zinc/13/86/15/283138615.db2.gz BRFDELLZBVGYFZ-VSZNYVQBSA-N 1 3 333.545 3.347 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353432396 283138617 /nfs/dbraw/zinc/13/86/17/283138617.db2.gz BRFDELLZBVGYFZ-VSZNYVQBSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353432396 283138620 /nfs/dbraw/zinc/13/86/20/283138620.db2.gz BRFDELLZBVGYFZ-VSZNYVQBSA-N 1 3 333.545 3.347 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000265919024 283188172 /nfs/dbraw/zinc/18/81/72/283188172.db2.gz BOYYSAGWXLJDJL-XLIONFOSSA-N 1 3 345.531 3.473 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000265919024 283188177 /nfs/dbraw/zinc/18/81/77/283188177.db2.gz BOYYSAGWXLJDJL-XLIONFOSSA-N 1 3 345.531 3.473 10 0 EGAEHO CCCN1CCC([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000183422964 283321658 /nfs/dbraw/zinc/32/16/58/283321658.db2.gz JMRBBOXEWQHBFI-HKUYNNGSSA-N 1 3 349.906 3.076 10 0 EGAEHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000266119065 248108605 /nfs/dbraw/zinc/10/86/05/248108605.db2.gz IOXNMVPEMIWTCV-HXUWFJFHSA-N 1 3 343.515 3.229 10 0 EGAEHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000266119065 248108610 /nfs/dbraw/zinc/10/86/10/248108610.db2.gz IOXNMVPEMIWTCV-HXUWFJFHSA-N 1 3 343.515 3.229 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccccc1F ZINC000268766442 141059014 /nfs/dbraw/zinc/05/90/14/141059014.db2.gz BYQGRXCCDXSSPL-MAODMQOUSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccccc1F ZINC000268766442 141059015 /nfs/dbraw/zinc/05/90/15/141059015.db2.gz BYQGRXCCDXSSPL-MAODMQOUSA-N 1 3 342.458 3.359 10 0 EGAEHO CCO[C@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370130 144131962 /nfs/dbraw/zinc/13/19/62/144131962.db2.gz ZWDIFRLGWNRYEX-ROUUACIJSA-N 1 3 326.525 3.059 10 0 EGAEHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000310950098 154144130 /nfs/dbraw/zinc/14/41/30/154144130.db2.gz LUGFHYXWMZCTQL-LPHOPBHVSA-N 1 3 340.467 3.401 10 0 EGAEHO CC1CCN(CCC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352027228 165199545 /nfs/dbraw/zinc/19/95/45/165199545.db2.gz OFMLNPBPWVCBKF-UHFFFAOYSA-N 1 3 326.488 3.299 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200484 309066577 /nfs/dbraw/zinc/06/65/77/309066577.db2.gz XWQFULUZPHVDEK-LSDHHAIUSA-N 1 3 347.894 3.303 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200484 309066578 /nfs/dbraw/zinc/06/65/78/309066578.db2.gz XWQFULUZPHVDEK-LSDHHAIUSA-N 1 3 347.894 3.303 10 0 EGAEHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414296322 309071131 /nfs/dbraw/zinc/07/11/31/309071131.db2.gz DWSJXTDWBHVMGL-MOPGFXCFSA-N 1 3 330.516 3.428 10 0 EGAEHO Cc1cc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ncn1 ZINC000293231206 308111950 /nfs/dbraw/zinc/11/19/50/308111950.db2.gz HFJRROVNBRMNQM-UHFFFAOYSA-N 1 3 336.483 3.273 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414945390 309110567 /nfs/dbraw/zinc/11/05/67/309110567.db2.gz RKZOSMMISGKMBD-YRGRVCCFSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414945390 309110568 /nfs/dbraw/zinc/11/05/68/309110568.db2.gz RKZOSMMISGKMBD-YRGRVCCFSA-N 1 3 343.393 3.010 10 0 EGAEHO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)[C@H](C)N)cc2)c1 ZINC000415024214 309114968 /nfs/dbraw/zinc/11/49/68/309114968.db2.gz YJSQXYXSFZAUPA-KBPBESRZSA-N 1 3 330.428 3.321 10 0 EGAEHO COc1ccccc1N1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415074508 309118511 /nfs/dbraw/zinc/11/85/11/309118511.db2.gz AHJWTQCFRSZJQC-IPMKNSEASA-N 1 3 343.515 3.174 10 0 EGAEHO COc1ccccc1N1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415074505 309118598 /nfs/dbraw/zinc/11/85/98/309118598.db2.gz AHJWTQCFRSZJQC-CEXWTWQISA-N 1 3 343.515 3.174 10 0 EGAEHO CC(C)C[C@@H](N)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415079080 309118781 /nfs/dbraw/zinc/11/87/81/309118781.db2.gz HEZJDTJVXZQTBN-CRAIPNDOSA-N 1 3 340.471 3.358 10 0 EGAEHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000415894922 309146579 /nfs/dbraw/zinc/14/65/79/309146579.db2.gz AGZSVCHKWJPNDC-IBGZPJMESA-N 1 3 340.471 3.139 10 0 EGAEHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000418695740 309253940 /nfs/dbraw/zinc/25/39/40/309253940.db2.gz LRIXLAWHXWCSAM-INIZCTEOSA-N 1 3 340.556 3.046 10 0 EGAEHO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000421388575 309322276 /nfs/dbraw/zinc/32/22/76/309322276.db2.gz QARWPNJISSNSCC-QUCCMNQESA-N 1 3 345.531 3.264 10 0 EGAEHO CCOc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC ZINC000422727400 309365342 /nfs/dbraw/zinc/36/53/42/309365342.db2.gz HIJVHLUBDLEGRC-ZDUSSCGKSA-N 1 3 329.444 3.107 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000422830262 309370701 /nfs/dbraw/zinc/37/07/01/309370701.db2.gz CJXKUNPAIZGCLQ-INIZCTEOSA-N 1 3 327.472 3.496 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(OCC(F)F)c1 ZINC000422940262 309377145 /nfs/dbraw/zinc/37/71/45/309377145.db2.gz GQVHQWHUGFMROP-LBPRGKRZSA-N 1 3 335.398 3.343 10 0 EGAEHO CCN1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017850 309381274 /nfs/dbraw/zinc/38/12/74/309381274.db2.gz PREJNIUATMEJDH-HJSHSUPBSA-N 1 3 327.875 3.330 10 0 EGAEHO [NH3+][C@H]1CCCCC[C@H]1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423089538 309385416 /nfs/dbraw/zinc/38/54/16/309385416.db2.gz VIUWMESAIJEMQQ-SSHXOBKSSA-N 1 3 333.442 3.041 10 0 EGAEHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1)N1CCCCC1 ZINC000423106562 309386223 /nfs/dbraw/zinc/38/62/23/309386223.db2.gz ZZTFLCZJMWJOFP-USYVTKNRSA-N 1 3 347.547 3.068 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C[C@@H]1C ZINC000423527019 309404876 /nfs/dbraw/zinc/40/48/76/309404876.db2.gz LWZRCZGENKAULA-KRPWINEDSA-N 1 3 348.531 3.098 10 0 EGAEHO Cc1nc2ccc(CN3CCC(OCC[NH+](C)C)CC3)cc2s1 ZINC000426402517 309506565 /nfs/dbraw/zinc/50/65/65/309506565.db2.gz CRIVAHDNMYLITF-UHFFFAOYSA-N 1 3 333.501 3.147 10 0 EGAEHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCOCCN(C)C)cc1 ZINC000447604052 309984254 /nfs/dbraw/zinc/98/42/54/309984254.db2.gz YJYYCBWWQZBXCM-PMACEKPBSA-N 1 3 334.504 3.278 10 0 EGAEHO Cc1nccn1CCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449093379 310036555 /nfs/dbraw/zinc/03/65/55/310036555.db2.gz WDAPSNBKUHGHHP-SFHVURJKSA-N 1 3 340.515 3.267 10 0 EGAEHO C[C@H](CC[S@@](C)=O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449184098 310042825 /nfs/dbraw/zinc/04/28/25/310042825.db2.gz HDSCWKPDMMVQMI-IVZQSRNASA-N 1 3 330.582 3.412 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000449218461 310045465 /nfs/dbraw/zinc/04/54/65/310045465.db2.gz IKHNVZQLYRUPQY-IBGZPJMESA-N 1 3 329.532 3.158 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCCCC2)CC1 ZINC000449218461 310045466 /nfs/dbraw/zinc/04/54/66/310045466.db2.gz IKHNVZQLYRUPQY-IBGZPJMESA-N 1 3 329.532 3.158 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000453232116 310265720 /nfs/dbraw/zinc/26/57/20/310265720.db2.gz JCGAFKIIEJYLAT-WBAXXEDZSA-N 1 3 344.890 3.488 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000464058938 310617356 /nfs/dbraw/zinc/61/73/56/310617356.db2.gz MMUIZNUTWCZENI-DFQSSKMNSA-N 1 3 346.515 3.312 10 0 EGAEHO CCN1CCN(CCC[NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513015769 312199807 /nfs/dbraw/zinc/19/98/07/312199807.db2.gz ZYZYKTYSXCHWKA-ICFOKQHNSA-N 1 3 335.923 3.361 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(Br)s2)[C@@H]2CCC[C@@H]21 ZINC000513654392 312214945 /nfs/dbraw/zinc/21/49/45/312214945.db2.gz IFXMMDVJUMVLTH-AVGNSLFASA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(Br)s2)[C@@H]2CCC[C@@H]21 ZINC000513654392 312214946 /nfs/dbraw/zinc/21/49/46/312214946.db2.gz IFXMMDVJUMVLTH-AVGNSLFASA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H]2CCC[C@@H]21 ZINC000513654392 312214947 /nfs/dbraw/zinc/21/49/47/312214947.db2.gz IFXMMDVJUMVLTH-AVGNSLFASA-N 1 3 329.307 3.473 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000528015417 313000305 /nfs/dbraw/zinc/00/03/05/313000305.db2.gz XJTVQKDNTVCXPM-PXNSSMCTSA-N 1 3 345.531 3.295 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000528015415 313000369 /nfs/dbraw/zinc/00/03/69/313000369.db2.gz XJTVQKDNTVCXPM-FXAWDEMLSA-N 1 3 345.531 3.295 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC(F)(F)C1 ZINC000529544412 313351573 /nfs/dbraw/zinc/35/15/73/313351573.db2.gz MZKJPERMJFXCIQ-CQSZACIVSA-N 1 3 338.442 3.167 10 0 EGAEHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000534329291 313972676 /nfs/dbraw/zinc/97/26/76/313972676.db2.gz XFVMSUHRYXYYDX-AWEZNQCLSA-N 1 3 327.875 3.157 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000565781733 316369564 /nfs/dbraw/zinc/36/95/64/316369564.db2.gz ZCOPKEGNBNOFPE-MJUUVYJYSA-N 1 3 333.564 3.469 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000565781733 316369567 /nfs/dbraw/zinc/36/95/67/316369567.db2.gz ZCOPKEGNBNOFPE-MJUUVYJYSA-N 1 3 333.564 3.469 10 0 EGAEHO CN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572378352 317331312 /nfs/dbraw/zinc/33/13/12/317331312.db2.gz ACTFLRVGWNNHTI-UTJXIGIESA-N 1 3 325.859 3.084 10 0 EGAEHO CC(C)Cc1ncc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000178785406 323360308 /nfs/dbraw/zinc/36/03/08/323360308.db2.gz JFALWXHOJCBPKB-HZPDHXFCSA-N 1 3 339.549 3.321 10 0 EGAEHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)s1 ZINC000397656800 324295053 /nfs/dbraw/zinc/29/50/53/324295053.db2.gz YQQPLGKSVIXYCA-UHFFFAOYSA-N 1 3 344.524 3.482 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nccs2)CC1 ZINC000088696765 454116736 /nfs/dbraw/zinc/11/67/36/454116736.db2.gz CAGXUQKBPJJHEB-UHFFFAOYSA-N 1 3 344.528 3.007 10 0 EGAEHO Cc1nc(CCNC2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000089712381 454182564 /nfs/dbraw/zinc/18/25/64/454182564.db2.gz APCNSQSRLKCMEL-UHFFFAOYSA-N 1 3 329.513 3.291 10 0 EGAEHO C[C@H](CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076092 455437245 /nfs/dbraw/zinc/43/72/45/455437245.db2.gz OCINOGOCXYKREV-TZIWHRDSSA-N 1 3 329.532 3.282 10 0 EGAEHO C[C@H](CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000191076092 455437252 /nfs/dbraw/zinc/43/72/52/455437252.db2.gz OCINOGOCXYKREV-TZIWHRDSSA-N 1 3 329.532 3.282 10 0 EGAEHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCCO2 ZINC000132976459 454382982 /nfs/dbraw/zinc/38/29/82/454382982.db2.gz VUXKFADSWIIPBD-XLIONFOSSA-N 1 3 344.499 3.299 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000097057228 454397967 /nfs/dbraw/zinc/39/79/67/454397967.db2.gz YWDKSTPIWLATPN-CEDBRAGKSA-N 1 3 338.499 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n[nH]1 ZINC000097057228 454397969 /nfs/dbraw/zinc/39/79/69/454397969.db2.gz YWDKSTPIWLATPN-CEDBRAGKSA-N 1 3 338.499 3.149 10 0 EGAEHO CN(Cc1ccco1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121158459 454400396 /nfs/dbraw/zinc/40/03/96/454400396.db2.gz PABSHPGFNOURRD-HXUWFJFHSA-N 1 3 328.456 3.157 10 0 EGAEHO CC(C)C(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000134128732 454505994 /nfs/dbraw/zinc/50/59/94/454505994.db2.gz HDNRODUOJHAQTI-UHFFFAOYSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000123126936 454605328 /nfs/dbraw/zinc/60/53/28/454605328.db2.gz GBELUUYWXJZPFY-HZPDHXFCSA-N 1 3 341.499 3.355 10 0 EGAEHO CCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165945722 454906364 /nfs/dbraw/zinc/90/63/64/454906364.db2.gz VNXIVFICQKHXCL-PXNSSMCTSA-N 1 3 343.515 3.060 10 0 EGAEHO CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170676780 454953996 /nfs/dbraw/zinc/95/39/96/454953996.db2.gz WOGQICDMYVOJLF-QGZVFWFLSA-N 1 3 331.504 3.019 10 0 EGAEHO NC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000180104809 455133152 /nfs/dbraw/zinc/13/31/52/455133152.db2.gz UAMSTHJEDMYSDR-SEJPIABJSA-N 1 3 349.478 3.071 10 0 EGAEHO O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180113494 455133504 /nfs/dbraw/zinc/13/35/04/455133504.db2.gz YDCAOSUNBYUWKH-BVCLNTRISA-N 1 3 348.490 3.430 10 0 EGAEHO C[C@@H]1CCCCN1CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000156610613 455137840 /nfs/dbraw/zinc/13/78/40/455137840.db2.gz WZRKIDLUFQQLIT-LJQANCHMSA-N 1 3 329.532 3.158 10 0 EGAEHO CCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245639569 455345184 /nfs/dbraw/zinc/34/51/84/455345184.db2.gz ALJBVAXOOVHTPK-MXEMCNAFSA-N 1 3 327.516 3.256 10 0 EGAEHO O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000245636708 455345857 /nfs/dbraw/zinc/34/58/57/455345857.db2.gz WYFKJIIJQIJNJH-ICSRJNTNSA-N 1 3 342.483 3.069 10 0 EGAEHO O=C(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OCc1ccccc1 ZINC000245636708 455345863 /nfs/dbraw/zinc/34/58/63/455345863.db2.gz WYFKJIIJQIJNJH-ICSRJNTNSA-N 1 3 342.483 3.069 10 0 EGAEHO Cc1c([C@@H](C)NCCCC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000269030391 455769321 /nfs/dbraw/zinc/76/93/21/455769321.db2.gz ROHJKVCFUYMALR-CYBMUJFWSA-N 1 3 335.883 3.222 10 0 EGAEHO CN(c1ccccc1CN1CCCSCC1)C1CC[NH+](C)CC1 ZINC000272731564 456054502 /nfs/dbraw/zinc/05/45/02/456054502.db2.gz HAAGVVKMFCUWHU-UHFFFAOYSA-N 1 3 333.545 3.156 10 0 EGAEHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000237046437 456224911 /nfs/dbraw/zinc/22/49/11/456224911.db2.gz CTTZTQJKQCWZPW-UHFFFAOYSA-N 1 3 343.471 3.276 10 0 EGAEHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340377047 456423944 /nfs/dbraw/zinc/42/39/44/456423944.db2.gz JSZPIFHXAKWIOA-PZJWPPBQSA-N 1 3 345.531 3.450 10 0 EGAEHO C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496606 456531521 /nfs/dbraw/zinc/53/15/21/456531521.db2.gz RLPLHERXDRBMFD-HNAYVOBHSA-N 1 3 342.487 3.089 10 0 EGAEHO CCC1(CNC(=O)CN(C)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000338269425 456741339 /nfs/dbraw/zinc/74/13/39/456741339.db2.gz SYOGDWJWBSPTNN-UHFFFAOYSA-N 1 3 345.531 3.135 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@H]21 ZINC000353633653 456817162 /nfs/dbraw/zinc/81/71/62/456817162.db2.gz SZEZYTQYQAZBGK-SOLBZPMBSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@H]21 ZINC000353633653 456817164 /nfs/dbraw/zinc/81/71/64/456817164.db2.gz SZEZYTQYQAZBGK-SOLBZPMBSA-N 1 3 342.512 3.210 10 0 EGAEHO CCc1cccc(F)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000354181819 457115124 /nfs/dbraw/zinc/11/51/24/457115124.db2.gz NOBCBUOHXPSRFG-UHFFFAOYSA-N 1 3 333.495 3.036 10 0 EGAEHO CCSCC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000354207891 457131244 /nfs/dbraw/zinc/13/12/44/457131244.db2.gz NLKGLMTUKOSZSA-IBGZPJMESA-N 1 3 348.556 3.258 10 0 EGAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000381178346 457420364 /nfs/dbraw/zinc/42/03/64/457420364.db2.gz IBGKXCFKERDYKG-FXAWDEMLSA-N 1 3 339.483 3.103 10 0 EGAEHO Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1F ZINC000397506214 457488774 /nfs/dbraw/zinc/48/87/74/457488774.db2.gz GDYPLBYKQTVIGZ-UHFFFAOYSA-N 1 3 342.458 3.251 10 0 EGAEHO Cc1ccsc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397667962 457490395 /nfs/dbraw/zinc/49/03/95/457490395.db2.gz GTAIHRZUAHZWGG-UHFFFAOYSA-N 1 3 330.497 3.173 10 0 EGAEHO Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1C ZINC000397631409 457490590 /nfs/dbraw/zinc/49/05/90/457490590.db2.gz NODPJVIPBUBSCD-UHFFFAOYSA-N 1 3 338.495 3.420 10 0 EGAEHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000358320442 457932350 /nfs/dbraw/zinc/93/23/50/457932350.db2.gz PLTIOBDQHFBZMG-AQNXPRMDSA-N 1 3 344.499 3.176 10 0 EGAEHO Cc1ccc([C@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000375594922 457983475 /nfs/dbraw/zinc/98/34/75/457983475.db2.gz CFLSQBKYVZKVGZ-NRFANRHFSA-N 1 3 329.532 3.200 10 0 EGAEHO Cc1ccc([C@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000375594922 457983477 /nfs/dbraw/zinc/98/34/77/457983477.db2.gz CFLSQBKYVZKVGZ-NRFANRHFSA-N 1 3 329.532 3.200 10 0 EGAEHO CC(C)N(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC(=O)N1 ZINC000412078415 458082425 /nfs/dbraw/zinc/08/24/25/458082425.db2.gz MJHQSDMTCYTSBN-FQEVSTJZSA-N 1 3 343.515 3.162 10 0 EGAEHO C[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000376028324 458168979 /nfs/dbraw/zinc/16/89/79/458168979.db2.gz JCWQHMXONMNKAF-RCKXYERXSA-N 1 3 327.516 3.256 10 0 EGAEHO CN1CC[C@]2(CC[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000429008335 458254596 /nfs/dbraw/zinc/25/45/96/458254596.db2.gz NGSBSUMTHWZNEV-QFIPXVFZSA-N 1 3 349.478 3.467 10 0 EGAEHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000429008335 458254599 /nfs/dbraw/zinc/25/45/99/458254599.db2.gz NGSBSUMTHWZNEV-QFIPXVFZSA-N 1 3 349.478 3.467 10 0 EGAEHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000459660445 458439029 /nfs/dbraw/zinc/43/90/29/458439029.db2.gz OIYREZRTZBHBOW-JXFKEZNVSA-N 1 3 326.488 3.467 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465514 458500281 /nfs/dbraw/zinc/50/02/81/458500281.db2.gz LJIIKHYRKCUUSO-GJHJYOIJSA-N 1 3 327.516 3.428 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465518 458500425 /nfs/dbraw/zinc/50/04/25/458500425.db2.gz LJIIKHYRKCUUSO-IDGBJLRDSA-N 1 3 327.516 3.428 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000462793065 458655394 /nfs/dbraw/zinc/65/53/94/458655394.db2.gz PUNXVCGYQWBSQT-VAMGGRTRSA-N 1 3 346.515 3.312 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000530025701 458657148 /nfs/dbraw/zinc/65/71/48/458657148.db2.gz FUHKANPSWIWOKA-HXUWFJFHSA-N 1 3 343.515 3.275 10 0 EGAEHO CN(CCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)c1ccncc1 ZINC000547664266 458770385 /nfs/dbraw/zinc/77/03/85/458770385.db2.gz BLWVVKVRVLNQAI-UHFFFAOYSA-N 1 3 346.519 3.021 10 0 EGAEHO CSc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)N(C)C)cc1 ZINC000556259903 458943733 /nfs/dbraw/zinc/94/37/33/458943733.db2.gz GBAHJJBTJNWRLH-NMLBUPMWSA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N(C)C)cc1 ZINC000556259903 458943738 /nfs/dbraw/zinc/94/37/38/458943738.db2.gz GBAHJJBTJNWRLH-NMLBUPMWSA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N(C)C)cc1 ZINC000556259903 458943743 /nfs/dbraw/zinc/94/37/43/458943743.db2.gz GBAHJJBTJNWRLH-NMLBUPMWSA-N 1 3 347.572 3.474 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864183 459024450 /nfs/dbraw/zinc/02/44/50/459024450.db2.gz CZASYIZCFXBYKZ-KFWWJZLASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864183 459024457 /nfs/dbraw/zinc/02/44/57/459024457.db2.gz CZASYIZCFXBYKZ-KFWWJZLASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864183 459024467 /nfs/dbraw/zinc/02/44/67/459024467.db2.gz CZASYIZCFXBYKZ-KFWWJZLASA-N 1 3 340.414 3.259 10 0 EGAEHO CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000556890676 459028704 /nfs/dbraw/zinc/02/87/04/459028704.db2.gz VCZZXIGKBOMGEK-YUMYIRISSA-N 1 3 341.543 3.359 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123152 459074417 /nfs/dbraw/zinc/07/44/17/459074417.db2.gz NTMXRFYHIMMZEL-MWDXBVQZSA-N 1 3 339.524 3.094 10 0 EGAEHO CN(C)[C@H]1CCOc2c(NC3CC[NH+](CC4CC4)CC3)cccc21 ZINC000567551715 459122362 /nfs/dbraw/zinc/12/23/62/459122362.db2.gz IGPNCDOUZCUZSA-IBGZPJMESA-N 1 3 329.488 3.358 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)OCCc2ccccc21 ZINC000558509295 459169547 /nfs/dbraw/zinc/16/95/47/459169547.db2.gz MDOOFCKBFUQOJI-OYNPSCLESA-N 1 3 328.500 3.327 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)OCCc2ccccc21 ZINC000558509295 459169550 /nfs/dbraw/zinc/16/95/50/459169550.db2.gz MDOOFCKBFUQOJI-OYNPSCLESA-N 1 3 328.500 3.327 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCC[C@H]1C ZINC000480624220 459209959 /nfs/dbraw/zinc/20/99/59/459209959.db2.gz JGFMCLQPEAZPRN-SBHAEUEKSA-N 1 3 329.532 3.361 10 0 EGAEHO c1ccc2c(c1)CCN2C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051382 459215126 /nfs/dbraw/zinc/21/51/26/459215126.db2.gz HTPQLPUUIONYFM-UHFFFAOYSA-N 1 3 347.506 3.359 10 0 EGAEHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000595021338 459218571 /nfs/dbraw/zinc/21/85/71/459218571.db2.gz CFJVAGGUTVCPHD-SJORKVTESA-N 1 3 326.525 3.312 10 0 EGAEHO NCc1cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625484 459232526 /nfs/dbraw/zinc/23/25/26/459232526.db2.gz ZIALZMRKCWNGKB-LSDHHAIUSA-N 1 3 343.393 3.400 10 0 EGAEHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)CN1CCCC1 ZINC000481325073 459244655 /nfs/dbraw/zinc/24/46/55/459244655.db2.gz SKUPPPFYJGWPMN-SBHAEUEKSA-N 1 3 329.532 3.219 10 0 EGAEHO OCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582002410 459290309 /nfs/dbraw/zinc/29/03/09/459290309.db2.gz JDPFAFBOHKSJAI-NRFANRHFSA-N 1 3 336.479 3.466 10 0 EGAEHO OCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582002410 459290313 /nfs/dbraw/zinc/29/03/13/459290313.db2.gz JDPFAFBOHKSJAI-NRFANRHFSA-N 1 3 336.479 3.466 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)C1CCCC1 ZINC000482557417 459313586 /nfs/dbraw/zinc/31/35/86/459313586.db2.gz KUFYUQYGMSVEAY-NQIIRXRSSA-N 1 3 329.532 3.361 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153744 459623802 /nfs/dbraw/zinc/62/38/02/459623802.db2.gz SSMIYWRHJUMVTO-UKAVVXHISA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153744 459623806 /nfs/dbraw/zinc/62/38/06/459623806.db2.gz SSMIYWRHJUMVTO-UKAVVXHISA-N 1 3 325.500 3.008 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000499153744 459623810 /nfs/dbraw/zinc/62/38/10/459623810.db2.gz SSMIYWRHJUMVTO-UKAVVXHISA-N 1 3 325.500 3.008 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cc(OCC)c(OC)cc2F)CC1 ZINC000527653428 459684991 /nfs/dbraw/zinc/68/49/91/459684991.db2.gz KFSATKOESURRIP-UHFFFAOYSA-N 1 3 338.467 3.445 10 0 EGAEHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599070617 460150938 /nfs/dbraw/zinc/15/09/38/460150938.db2.gz MAWFCQVDZOBRJQ-IRXDYDNUSA-N 1 3 326.525 3.456 10 0 EGAEHO F[C@H](c1nc(-c2cccc(CN3CCCCC3)c2)no1)[C@H]1CC[NH2+]C1 ZINC000634553717 460417406 /nfs/dbraw/zinc/41/74/06/460417406.db2.gz FRTSNFISVQFZLA-IRXDYDNUSA-N 1 3 344.434 3.343 10 0 EGAEHO CC[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347944 460502595 /nfs/dbraw/zinc/50/25/95/460502595.db2.gz MOYQGRSRMUQEQX-VQTJNVASSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347944 460502600 /nfs/dbraw/zinc/50/26/00/460502600.db2.gz MOYQGRSRMUQEQX-VQTJNVASSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347944 460502604 /nfs/dbraw/zinc/50/26/04/460502604.db2.gz MOYQGRSRMUQEQX-VQTJNVASSA-N 1 3 329.532 3.286 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392956 460524399 /nfs/dbraw/zinc/52/43/99/460524399.db2.gz UTIODSHAAMWGMA-CQSZACIVSA-N 1 3 337.895 3.439 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623392956 460524405 /nfs/dbraw/zinc/52/44/05/460524405.db2.gz UTIODSHAAMWGMA-CQSZACIVSA-N 1 3 337.895 3.439 10 0 EGAEHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519926 460792242 /nfs/dbraw/zinc/79/22/42/460792242.db2.gz SGMPNFVURUMUPW-LVCYWYKZSA-N 1 3 349.478 3.243 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000629529315 460798304 /nfs/dbraw/zinc/79/83/04/460798304.db2.gz ZGMCRPHOVSJYIK-GFCCVEGCSA-N 1 3 337.464 3.144 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624224101 460917552 /nfs/dbraw/zinc/91/75/52/460917552.db2.gz MNWSWKRMVOSBBF-TYCQWZJGSA-N 1 3 328.500 3.239 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662196591 461108752 /nfs/dbraw/zinc/10/87/52/461108752.db2.gz NEVBWXWOQYIZPS-FQEVSTJZSA-N 1 3 329.532 3.064 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662196591 461108759 /nfs/dbraw/zinc/10/87/59/461108759.db2.gz NEVBWXWOQYIZPS-FQEVSTJZSA-N 1 3 329.532 3.064 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2ccc(Cl)cc2)C1 ZINC000652361197 461155144 /nfs/dbraw/zinc/15/51/44/461155144.db2.gz ZLWUHPNUHPUGSK-KBAYOESNSA-N 1 3 338.879 3.080 10 0 EGAEHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCO[C@@H]1CC1(F)F ZINC000662270847 461158438 /nfs/dbraw/zinc/15/84/38/461158438.db2.gz PVQWSXLYDSSHJS-RCCFBDPRSA-N 1 3 338.442 3.083 10 0 EGAEHO CC(C)N(C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662294111 461173306 /nfs/dbraw/zinc/17/33/06/461173306.db2.gz JALNAOYWRBTVIU-IBGZPJMESA-N 1 3 343.515 3.140 10 0 EGAEHO C[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000659292981 461278938 /nfs/dbraw/zinc/27/89/38/461278938.db2.gz SZVTVQFFBLQCBU-JTDSTZFVSA-N 1 3 343.515 3.058 10 0 EGAEHO O=C(C[C@H]1NCc2ccccc21)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000659321520 461292544 /nfs/dbraw/zinc/29/25/44/461292544.db2.gz WBARLCMZVWXERQ-OAQYLSRUSA-N 1 3 349.478 3.498 10 0 EGAEHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000646694124 461373135 /nfs/dbraw/zinc/37/31/35/461373135.db2.gz ZHTKOXZVHDIFMY-OALUTQOASA-N 1 3 331.504 3.191 10 0 EGAEHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000646694124 461373141 /nfs/dbraw/zinc/37/31/41/461373141.db2.gz ZHTKOXZVHDIFMY-OALUTQOASA-N 1 3 331.504 3.191 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C)c2OC)[C@H](C)C1 ZINC000655810402 461467654 /nfs/dbraw/zinc/46/76/54/461467654.db2.gz KNUOXSAIUMNERE-MJGOQNOKSA-N 1 3 334.504 3.230 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660006475 461542089 /nfs/dbraw/zinc/54/20/89/461542089.db2.gz OIJSCXVYPYVNBN-WBVHZDCISA-N 1 3 330.463 3.387 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660006475 461542092 /nfs/dbraw/zinc/54/20/92/461542092.db2.gz OIJSCXVYPYVNBN-WBVHZDCISA-N 1 3 330.463 3.387 10 0 EGAEHO Cn1nccc1-c1ccccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344240 461571643 /nfs/dbraw/zinc/57/16/43/461571643.db2.gz PYVVFVODFOTRJB-SFHVURJKSA-N 1 3 338.499 3.299 10 0 EGAEHO Cn1nccc1-c1ccccc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344240 461571650 /nfs/dbraw/zinc/57/16/50/461571650.db2.gz PYVVFVODFOTRJB-SFHVURJKSA-N 1 3 338.499 3.299 10 0 EGAEHO Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663344240 461571660 /nfs/dbraw/zinc/57/16/60/461571660.db2.gz PYVVFVODFOTRJB-SFHVURJKSA-N 1 3 338.499 3.299 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)[C@H](c2ccccc2)C1 ZINC000647248582 461588778 /nfs/dbraw/zinc/58/87/78/461588778.db2.gz JWGBSKDYAIJQFI-IRLDBZIGSA-N 1 3 346.478 3.307 10 0 EGAEHO CN(c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CCN(C)CC1 ZINC000647256626 461593042 /nfs/dbraw/zinc/59/30/42/461593042.db2.gz ZZIFRHCVBJLRBP-YTQUADARSA-N 1 3 327.516 3.495 10 0 EGAEHO Clc1ccc2c(c1Cl)OC[C@@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789774 461835613 /nfs/dbraw/zinc/83/56/13/461835613.db2.gz LGRZXXQIKZVBLN-DEKYYXRVSA-N 1 3 327.255 3.405 10 0 EGAEHO Cc1ccccc1-n1nccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782664 461892872 /nfs/dbraw/zinc/89/28/72/461892872.db2.gz IFJNJXBBUYLUHN-LJQANCHMSA-N 1 3 338.499 3.392 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000650750821 461932717 /nfs/dbraw/zinc/93/27/17/461932717.db2.gz LPGZMLVDSGJAME-LPHOPBHVSA-N 1 3 339.483 3.314 10 0 EGAEHO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000650750822 461933952 /nfs/dbraw/zinc/93/39/52/461933952.db2.gz LPGZMLVDSGJAME-QFBILLFUSA-N 1 3 339.483 3.314 10 0 EGAEHO c1cc(CNCc2cccc(C[NH+]3CCCC3)c2)n(-c2ccncc2)n1 ZINC000657299993 462028455 /nfs/dbraw/zinc/02/84/55/462028455.db2.gz FHOSYARIVGDHIQ-UHFFFAOYSA-N 1 3 347.466 3.153 10 0 EGAEHO COC[C@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)C1CCOCC1 ZINC000661154758 462126342 /nfs/dbraw/zinc/12/63/42/462126342.db2.gz OHGMQISOXZFEFX-NRFANRHFSA-N 1 3 346.515 3.204 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc4ncccc4c3)cc2)C1 ZINC000657593708 462195659 /nfs/dbraw/zinc/19/56/59/462195659.db2.gz CBVNTNCCMARWPJ-OAQYLSRUSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4ncccc4c3)cc2)C1 ZINC000657593708 462195663 /nfs/dbraw/zinc/19/56/63/462195663.db2.gz CBVNTNCCMARWPJ-OAQYLSRUSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc4cccnc43)cc2)C1 ZINC000657596832 462196419 /nfs/dbraw/zinc/19/64/19/462196419.db2.gz ZMTBOUXIKZLQAG-NRFANRHFSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4cccnc43)cc2)C1 ZINC000657596832 462196427 /nfs/dbraw/zinc/19/64/27/462196427.db2.gz ZMTBOUXIKZLQAG-NRFANRHFSA-N 1 3 347.462 3.091 10 0 EGAEHO C[C@H](CO)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836979 462210081 /nfs/dbraw/zinc/21/00/81/462210081.db2.gz YLGFSEUAQGNKIR-FXAWDEMLSA-N 1 3 330.516 3.237 10 0 EGAEHO C[C@H](CO)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836979 462210084 /nfs/dbraw/zinc/21/00/84/462210084.db2.gz YLGFSEUAQGNKIR-FXAWDEMLSA-N 1 3 330.516 3.237 10 0 EGAEHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000657772310 462259236 /nfs/dbraw/zinc/25/92/36/462259236.db2.gz LQLNDRCQHHORFZ-HXUWFJFHSA-N 1 3 338.499 3.120 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000657784814 462264899 /nfs/dbraw/zinc/26/48/99/462264899.db2.gz FYEJMIVVFCAPPF-IBGZPJMESA-N 1 3 345.531 3.123 10 0 EGAEHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)C(C)(C)C(F)F ZINC000658012144 462345924 /nfs/dbraw/zinc/34/59/24/462345924.db2.gz CKRILTMMMWJZFU-ZDUSSCGKSA-N 1 3 329.435 3.182 10 0 EGAEHO COC[C@H](CC(C)(C)C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000651831829 462352243 /nfs/dbraw/zinc/35/22/43/462352243.db2.gz JRBHZJKCBVXKLP-IBGZPJMESA-N 1 3 348.531 3.054 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)cc2)C1 ZINC000658135655 462399547 /nfs/dbraw/zinc/39/95/47/462399547.db2.gz AGKZVUHYXYFIII-NJDAHSKKSA-N 1 3 328.500 3.312 10 0 EGAEHO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658137398 462400916 /nfs/dbraw/zinc/40/09/16/462400916.db2.gz KRSRCVSQJJVPAO-YRPNKDGESA-N 1 3 328.500 3.168 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318300 462475407 /nfs/dbraw/zinc/47/54/07/462475407.db2.gz OVACSVFHFWVRMG-MJGOQNOKSA-N 1 3 338.499 3.373 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319438 462475477 /nfs/dbraw/zinc/47/54/77/462475477.db2.gz AVNIYSHWDUPZND-YLJYHZDGSA-N 1 3 338.499 3.373 10 0 EGAEHO C[C@@H](N[C@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274824 462495564 /nfs/dbraw/zinc/49/55/64/462495564.db2.gz WUSLMVGGZSNBFJ-VQIMIIECSA-N 1 3 326.488 3.024 10 0 EGAEHO Cc1cccc(C2([NH2+]CCCN3CCN(C(C)C)CC3)CCC2)c1 ZINC000646022469 462499369 /nfs/dbraw/zinc/49/93/69/462499369.db2.gz HIDMCPCCFIYMFS-UHFFFAOYSA-N 1 3 329.532 3.380 10 0 EGAEHO CCN1CC[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166422780 527744931 /nfs/dbraw/zinc/74/49/31/527744931.db2.gz HFSOOQROPJCDER-ZDUSSCGKSA-N 1 3 348.288 3.429 10 0 EGAEHO CCO[C@@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370116 535497231 /nfs/dbraw/zinc/49/72/31/535497231.db2.gz ZWDIFRLGWNRYEX-ZWKOTPCHSA-N 1 3 326.525 3.059 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000265993635 535598819 /nfs/dbraw/zinc/59/88/19/535598819.db2.gz NCNAPAWLRYJWQP-VQIMIIECSA-N 1 3 331.504 3.083 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000265993633 535599557 /nfs/dbraw/zinc/59/95/57/535599557.db2.gz NCNAPAWLRYJWQP-LPHOPBHVSA-N 1 3 331.504 3.083 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871239 548995829 /nfs/dbraw/zinc/99/58/29/548995829.db2.gz CGNNWRWZXKQJPM-GOEBONIOSA-N 1 3 333.545 3.056 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000680001917 549805043 /nfs/dbraw/zinc/80/50/43/549805043.db2.gz PJKJGKIDJIJFSA-HXUWFJFHSA-N 1 3 339.483 3.087 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000680001917 549805046 /nfs/dbraw/zinc/80/50/46/549805046.db2.gz PJKJGKIDJIJFSA-HXUWFJFHSA-N 1 3 339.483 3.087 10 0 EGAEHO CCOc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OC(F)F ZINC000075780780 1292411155 /nfs/dbraw/zinc/41/11/55/1292411155.db2.gz FTCPTWRVWLHJRY-AWEZNQCLSA-N 1 3 340.414 3.261 10 0 EGAEHO C[NH2+]C1CCC(N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000091873227 1292845076 /nfs/dbraw/zinc/84/50/76/1292845076.db2.gz YDBMICVWFJFESS-UHFFFAOYSA-N 1 3 341.293 3.420 10 0 EGAEHO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)CCCCCC[NH3+] ZINC000872155594 1296772782 /nfs/dbraw/zinc/77/27/82/1296772782.db2.gz SATQOXSABQNRJI-KRWDZBQOSA-N 1 3 346.519 3.065 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550660 1298279813 /nfs/dbraw/zinc/27/98/13/1298279813.db2.gz CIUUUOITUJHYHX-WCXIOVBPSA-N 1 3 339.524 3.237 10 0 EGAEHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550660 1298279820 /nfs/dbraw/zinc/27/98/20/1298279820.db2.gz CIUUUOITUJHYHX-WCXIOVBPSA-N 1 3 339.524 3.237 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@H](CNCc3cccc4c3CCOC4)C2)cc1 ZINC000883106710 1302252131 /nfs/dbraw/zinc/25/21/31/1302252131.db2.gz BUNWQGCBYCZFLO-IBGZPJMESA-N 1 3 336.479 3.371 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@H](CNCc3cccc4c3CCOC4)C2)cc1 ZINC000883106710 1302252139 /nfs/dbraw/zinc/25/21/39/1302252139.db2.gz BUNWQGCBYCZFLO-IBGZPJMESA-N 1 3 336.479 3.371 10 0 EGAEHO CCOC(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OCC ZINC000886597011 1303517395 /nfs/dbraw/zinc/51/73/95/1303517395.db2.gz UBSKHQFSATZCON-ZCNNSNEGSA-N 1 3 346.515 3.418 10 0 EGAEHO CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@H](O)C(C)C ZINC000886627323 1303531092 /nfs/dbraw/zinc/53/10/92/1303531092.db2.gz YYWYYLHOBRENFK-UQVNRYHBSA-N 1 3 330.516 3.425 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1)C(C)C ZINC000892785148 1305551738 /nfs/dbraw/zinc/55/17/38/1305551738.db2.gz MRORCGSKNNTCDB-NRFANRHFSA-N 1 3 343.515 3.131 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1)C(C)C ZINC000892785148 1305551740 /nfs/dbraw/zinc/55/17/40/1305551740.db2.gz MRORCGSKNNTCDB-NRFANRHFSA-N 1 3 343.515 3.131 10 0 EGAEHO Cc1ccc(C2=NO[C@@H](C[NH2+][C@H]3CCN(C)C(C)(C)C3)C2)cc1C ZINC000895501642 1309376763 /nfs/dbraw/zinc/37/67/63/1309376763.db2.gz INXJYOHNIXXDQO-ZWKOTPCHSA-N 1 3 329.488 3.259 10 0 EGAEHO Cc1cnc(Cl)c(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000922234879 1322484519 /nfs/dbraw/zinc/48/45/19/1322484519.db2.gz OQASCGUQWBDWDP-UHFFFAOYSA-N 1 3 337.895 3.024 10 0 EGAEHO C[C@H]1CN(Cc2ccc(Br)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923496059 1322761879 /nfs/dbraw/zinc/76/18/79/1322761879.db2.gz ZKJGSZQBZWJVGS-QWHCGFSZSA-N 1 3 348.288 3.414 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccccn2)C2CCC2)C[C@@H](C)O1 ZINC000925440824 1325149729 /nfs/dbraw/zinc/14/97/29/1325149729.db2.gz VOQIPSMMYBXTMF-HLIPFELVSA-N 1 3 331.504 3.402 10 0 EGAEHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)n1 ZINC000925439060 1325150458 /nfs/dbraw/zinc/15/04/58/1325150458.db2.gz HSZCADMPRIBLIW-IXDOHACOSA-N 1 3 335.492 3.020 10 0 EGAEHO COc1ccc(CCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cc1OC ZINC000925482984 1325170006 /nfs/dbraw/zinc/17/00/06/1325170006.db2.gz VMDHGNURNMTXMR-RTBURBONSA-N 1 3 346.515 3.394 10 0 EGAEHO COc1ccc(CCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cc1OC ZINC000925482979 1325170161 /nfs/dbraw/zinc/17/01/61/1325170161.db2.gz VMDHGNURNMTXMR-OALUTQOASA-N 1 3 346.515 3.394 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925509937 1325183320 /nfs/dbraw/zinc/18/33/20/1325183320.db2.gz QGUWCHWIIOUEBZ-RBUKOAKNSA-N 1 3 340.515 3.493 10 0 EGAEHO c1cn(-c2ccccc2)nc1CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925550743 1325203884 /nfs/dbraw/zinc/20/38/84/1325203884.db2.gz OBRARMHCIQDMHT-RTWAWAEBSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925550743 1325203892 /nfs/dbraw/zinc/20/38/92/1325203892.db2.gz OBRARMHCIQDMHT-RTWAWAEBSA-N 1 3 338.499 3.173 10 0 EGAEHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1Cl ZINC000925619067 1325232358 /nfs/dbraw/zinc/23/23/58/1325232358.db2.gz KUTCKSYXAWNYLG-PVTKRXDGSA-N 1 3 328.859 3.397 10 0 EGAEHO Cc1ccc(C[C@@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925792997 1325305047 /nfs/dbraw/zinc/30/50/47/1325305047.db2.gz CVXXWHXGIHEEGQ-VQTJNVASSA-N 1 3 330.516 3.310 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)ccn1 ZINC000926692698 1327670859 /nfs/dbraw/zinc/67/08/59/1327670859.db2.gz IWDDMSNAQZHKMT-SFTDATJTSA-N 1 3 343.515 3.088 10 0 EGAEHO CN1Cc2ccccc2[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000865806918 1329740465 /nfs/dbraw/zinc/74/04/65/1329740465.db2.gz UJUSBLBXDFIDQF-HSZRJFAPSA-N 1 3 349.522 3.470 10 0 EGAEHO Cc1c([C@H](C)NC2CCC(C)([NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000866515395 1330120486 /nfs/dbraw/zinc/12/04/86/1330120486.db2.gz ASJVOCGDFMWFLU-FVWXCPNNSA-N 1 3 341.503 3.489 10 0 EGAEHO C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001323509069 1387378957 /nfs/dbraw/zinc/37/89/57/1387378957.db2.gz RAIPIBVMFPOLEW-ZWKOTPCHSA-N 1 3 349.563 3.316 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001324090956 1387537850 /nfs/dbraw/zinc/53/78/50/1387537850.db2.gz SBYWRAGLBYFFJR-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001491370316 1394514031 /nfs/dbraw/zinc/51/40/31/1394514031.db2.gz OFLCEAYTPTZQHY-UHFFFAOYSA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001324096568 1387539635 /nfs/dbraw/zinc/53/96/35/1387539635.db2.gz COVAPPPCFUMFQB-PKOBYXMFSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001324285412 1387581570 /nfs/dbraw/zinc/58/15/70/1387581570.db2.gz HYRPRNJYNJSTCQ-FQEVSTJZSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(CN2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001324670534 1387727905 /nfs/dbraw/zinc/72/79/05/1387727905.db2.gz YYVSEDFXBXPRSF-NRFANRHFSA-N 1 3 345.531 3.062 10 0 EGAEHO CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116901 1377194352 /nfs/dbraw/zinc/19/43/52/1377194352.db2.gz OJFLTXJOCKZVLV-AMQGLKLZSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116901 1377194353 /nfs/dbraw/zinc/19/43/53/1377194353.db2.gz OJFLTXJOCKZVLV-AMQGLKLZSA-N 1 3 337.552 3.242 10 0 EGAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526458 1377327463 /nfs/dbraw/zinc/32/74/63/1377327463.db2.gz VNYLDIRTKQFNHQ-MSOLQXFVSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526458 1377327466 /nfs/dbraw/zinc/32/74/66/1377327466.db2.gz VNYLDIRTKQFNHQ-MSOLQXFVSA-N 1 3 343.515 3.060 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001266842676 1377391509 /nfs/dbraw/zinc/39/15/09/1377391509.db2.gz SDXHRFBMXVKUCL-CQQBRXBZSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001266842676 1377391514 /nfs/dbraw/zinc/39/15/14/1377391514.db2.gz SDXHRFBMXVKUCL-CQQBRXBZSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC1([NH2+]CCCC(C)C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001327473742 1388528859 /nfs/dbraw/zinc/52/88/59/1388528859.db2.gz BXAWLMPIXZFACZ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001327492188 1388535183 /nfs/dbraw/zinc/53/51/83/1388535183.db2.gz GWPHHCPTIWWFDF-UHFFFAOYSA-N 1 3 347.547 3.334 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001281906131 1378456860 /nfs/dbraw/zinc/45/68/60/1378456860.db2.gz STURWUHWNLOEPO-ODWICZQRSA-N 1 3 343.515 3.055 10 0 EGAEHO CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813361 1378623793 /nfs/dbraw/zinc/62/37/93/1378623793.db2.gz WIISGDZNVCAVPU-XSAZBNQGSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813361 1378623795 /nfs/dbraw/zinc/62/37/95/1378623795.db2.gz WIISGDZNVCAVPU-XSAZBNQGSA-N 1 3 349.563 3.290 10 0 EGAEHO C[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCCCC1 ZINC001284630357 1380033898 /nfs/dbraw/zinc/03/38/98/1380033898.db2.gz GJMLRZJCALKNHH-FUHWJXTLSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCCCC1 ZINC001284630359 1380034005 /nfs/dbraw/zinc/03/40/05/1380034005.db2.gz GJMLRZJCALKNHH-SJLPKXTDSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001284683616 1380093720 /nfs/dbraw/zinc/09/37/20/1380093720.db2.gz GOKWIGYUUIQSRQ-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)C[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001284702003 1380116716 /nfs/dbraw/zinc/11/67/16/1380116716.db2.gz JBFPGMLIWXYCSQ-QZTJIDSGSA-N 1 3 339.568 3.226 10 0 EGAEHO CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001328048770 1388653692 /nfs/dbraw/zinc/65/36/92/1388653692.db2.gz YKURSLPTNXFJTL-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001328588704 1388784760 /nfs/dbraw/zinc/78/47/60/1388784760.db2.gz XYEXTTQJGWEVJY-LIXSYLKWSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001328588704 1388784761 /nfs/dbraw/zinc/78/47/61/1388784761.db2.gz XYEXTTQJGWEVJY-LIXSYLKWSA-N 1 3 349.563 3.245 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001316623958 1384489615 /nfs/dbraw/zinc/48/96/15/1384489615.db2.gz LFTWZFTXEIPBNX-JENIJYKNSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CCC1CCCC1 ZINC001316742800 1384555379 /nfs/dbraw/zinc/55/53/79/1384555379.db2.gz ZQGJPNPGLWKPQE-IPMKNSEASA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CCC1CCCC1 ZINC001316742800 1384555384 /nfs/dbraw/zinc/55/53/84/1384555384.db2.gz ZQGJPNPGLWKPQE-IPMKNSEASA-N 1 3 337.552 3.122 10 0 EGAEHO C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001316874757 1384659661 /nfs/dbraw/zinc/65/96/61/1384659661.db2.gz CWAYKRQYBWFHCN-NVXWUHKLSA-N 1 3 334.508 3.138 10 0 EGAEHO C[C@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001316878432 1384663198 /nfs/dbraw/zinc/66/31/98/1384663198.db2.gz HRORWWHIBSQNLB-LPHOPBHVSA-N 1 3 349.494 3.081 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861492 1384663645 /nfs/dbraw/zinc/66/36/45/1384663645.db2.gz ODFMRGOACYLRKM-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)N1CCCCC1 ZINC001171861492 1384663650 /nfs/dbraw/zinc/66/36/50/1384663650.db2.gz ODFMRGOACYLRKM-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317045300 1384820522 /nfs/dbraw/zinc/82/05/22/1384820522.db2.gz UNTLJFRCJYOIRS-GOSISDBHSA-N 1 3 339.568 3.325 10 0 EGAEHO CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317045300 1384820525 /nfs/dbraw/zinc/82/05/25/1384820525.db2.gz UNTLJFRCJYOIRS-GOSISDBHSA-N 1 3 339.568 3.325 10 0 EGAEHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001317190201 1384963965 /nfs/dbraw/zinc/96/39/65/1384963965.db2.gz NNCGUDLXTXIDJN-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)N(C)C ZINC001317423494 1385130100 /nfs/dbraw/zinc/13/01/00/1385130100.db2.gz LSGQKWRDBNPUSQ-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCC1)N(C)C ZINC001317423494 1385130101 /nfs/dbraw/zinc/13/01/01/1385130101.db2.gz LSGQKWRDBNPUSQ-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001317629635 1385361986 /nfs/dbraw/zinc/36/19/86/1385361986.db2.gz ZLDVJJGRQOQDIL-GOSISDBHSA-N 1 3 347.528 3.036 10 0 EGAEHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990761 1385914289 /nfs/dbraw/zinc/91/42/89/1385914289.db2.gz NITWNVCRLRQDDR-RBUKOAKNSA-N 1 3 349.494 3.013 10 0 EGAEHO CC[C@H](F)CNCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001318990761 1385914292 /nfs/dbraw/zinc/91/42/92/1385914292.db2.gz NITWNVCRLRQDDR-RBUKOAKNSA-N 1 3 349.494 3.013 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001319285037 1386042613 /nfs/dbraw/zinc/04/26/13/1386042613.db2.gz JDXRSGRDNDZIIC-GJZGRUSLSA-N 1 3 339.911 3.083 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC2(C[NH2+]CCC3CC3)CCCC2)c1 ZINC001698635861 1406281106 /nfs/dbraw/zinc/28/11/06/1406281106.db2.gz HYAOBQOIXHMVRB-UHFFFAOYSA-N 1 3 343.515 3.181 10 0 EGAEHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001319688235 1386252369 /nfs/dbraw/zinc/25/23/69/1386252369.db2.gz ATEVHBVPMZYSIF-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)cs1 ZINC001319735414 1386274813 /nfs/dbraw/zinc/27/48/13/1386274813.db2.gz FHRRRRHFSQJHJK-ZWKOTPCHSA-N 1 3 349.544 3.012 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915854 1386387638 /nfs/dbraw/zinc/38/76/38/1386387638.db2.gz CAOIPUBZFTUNJX-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001321419325 1386900034 /nfs/dbraw/zinc/90/00/34/1386900034.db2.gz OUSFCJPANYAUQZ-KQPGTDLCSA-N 1 3 343.515 3.192 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001329201700 1389019114 /nfs/dbraw/zinc/01/91/14/1389019114.db2.gz FEXVGWMNBVDUCY-IRXDYDNUSA-N 1 3 341.499 3.163 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001329861413 1389238818 /nfs/dbraw/zinc/23/88/18/1389238818.db2.gz QKKRPHUOSCQOPL-QRVBRYPASA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)=CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001330224278 1389348451 /nfs/dbraw/zinc/34/84/51/1389348451.db2.gz VDOPSHOKFLCBCT-GOSISDBHSA-N 1 3 349.563 3.291 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386947 1390103163 /nfs/dbraw/zinc/10/31/63/1390103163.db2.gz IBNPTEDFYOWFHM-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCC ZINC001479616705 1392289542 /nfs/dbraw/zinc/28/95/42/1392289542.db2.gz HHQLWJHITLGEEZ-NMLBUPMWSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCC ZINC001479616705 1392289543 /nfs/dbraw/zinc/28/95/43/1392289543.db2.gz HHQLWJHITLGEEZ-NMLBUPMWSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479738403 1392350551 /nfs/dbraw/zinc/35/05/51/1392350551.db2.gz BITVXHFSHQKJNN-FQEVSTJZSA-N 1 3 349.563 3.386 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001479744029 1392358191 /nfs/dbraw/zinc/35/81/91/1392358191.db2.gz BZNVSQOBVQWMBZ-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001479744029 1392358193 /nfs/dbraw/zinc/35/81/93/1392358193.db2.gz BZNVSQOBVQWMBZ-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)c1 ZINC001480067305 1392558720 /nfs/dbraw/zinc/55/87/20/1392558720.db2.gz ZTZSNFJDTSRQFD-HXUWFJFHSA-N 1 3 343.515 3.036 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001480368471 1392710672 /nfs/dbraw/zinc/71/06/72/1392710672.db2.gz XSJCQAKOTOBGEK-RBUKOAKNSA-N 1 3 345.531 3.367 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378236 1392721267 /nfs/dbraw/zinc/72/12/67/1392721267.db2.gz APHQQANACIQQHJ-SLXDBMQSSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378236 1392721269 /nfs/dbraw/zinc/72/12/69/1392721269.db2.gz APHQQANACIQQHJ-SLXDBMQSSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001480458642 1392759406 /nfs/dbraw/zinc/75/94/06/1392759406.db2.gz FMZBLAFPNGMCFA-ICSRJNTNSA-N 1 3 345.531 3.079 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001480537861 1392784264 /nfs/dbraw/zinc/78/42/64/1392784264.db2.gz QXKDNWAMOWCZLU-INIZCTEOSA-N 1 3 345.531 3.136 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001480537862 1392784366 /nfs/dbraw/zinc/78/43/66/1392784366.db2.gz QXKDNWAMOWCZLU-MRXNPFEDSA-N 1 3 345.531 3.136 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)c1 ZINC001480833189 1392974672 /nfs/dbraw/zinc/97/46/72/1392974672.db2.gz OVBSTWLTXILVQF-HXUWFJFHSA-N 1 3 343.515 3.133 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC2)c1 ZINC001480833189 1392974673 /nfs/dbraw/zinc/97/46/73/1392974673.db2.gz OVBSTWLTXILVQF-HXUWFJFHSA-N 1 3 343.515 3.133 10 0 EGAEHO CC(C)(C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1)N1CCCC1 ZINC001698880359 1406608998 /nfs/dbraw/zinc/60/89/98/1406608998.db2.gz DZXNUOPZZBVQBZ-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCC1 ZINC001481053548 1393107855 /nfs/dbraw/zinc/10/78/55/1393107855.db2.gz TVFRSGNZHNYAAB-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1)N1CCCC1 ZINC001481053548 1393107856 /nfs/dbraw/zinc/10/78/56/1393107856.db2.gz TVFRSGNZHNYAAB-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001481367605 1394207234 /nfs/dbraw/zinc/20/72/34/1394207234.db2.gz WPRJHIINZNIUBY-VQTJNVASSA-N 1 3 343.515 3.274 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001481367605 1394207239 /nfs/dbraw/zinc/20/72/39/1394207239.db2.gz WPRJHIINZNIUBY-VQTJNVASSA-N 1 3 343.515 3.274 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001481407022 1394261795 /nfs/dbraw/zinc/26/17/95/1394261795.db2.gz YKXZFUANKAPHGC-PMACEKPBSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001481407022 1394261802 /nfs/dbraw/zinc/26/18/02/1394261802.db2.gz YKXZFUANKAPHGC-PMACEKPBSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481530305 1394386247 /nfs/dbraw/zinc/38/62/47/1394386247.db2.gz HJZCUGCUFXLRDR-LJQANCHMSA-N 1 3 331.504 3.133 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481530305 1394386253 /nfs/dbraw/zinc/38/62/53/1394386253.db2.gz HJZCUGCUFXLRDR-LJQANCHMSA-N 1 3 331.504 3.133 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C)C1CCC1 ZINC001491250995 1394491251 /nfs/dbraw/zinc/49/12/51/1394491251.db2.gz AGPKLIUDNFFERD-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854083 1394560463 /nfs/dbraw/zinc/56/04/63/1394560463.db2.gz ASFCBURWKASUDQ-WOJBJXKFSA-N 1 3 345.531 3.242 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001481880544 1394574823 /nfs/dbraw/zinc/57/48/23/1394574823.db2.gz GMEKTWGEYJHHKG-GJZGRUSLSA-N 1 3 339.911 3.226 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001482016906 1394674090 /nfs/dbraw/zinc/67/40/90/1394674090.db2.gz PGWLRBAOLSLECS-IGGCZAQCSA-N 1 3 335.536 3.234 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001482108587 1394750565 /nfs/dbraw/zinc/75/05/65/1394750565.db2.gz TZTOLISFQLPNSC-AEFFLSMTSA-N 1 3 345.531 3.191 10 0 EGAEHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CC3=CCCCC3)C2)CCC1 ZINC001484161804 1395296228 /nfs/dbraw/zinc/29/62/28/1395296228.db2.gz ZJWSOSRMVIAPKK-FQEVSTJZSA-N 1 3 347.547 3.189 10 0 EGAEHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CC3=CCCCC3)C2)CCC1 ZINC001484161804 1395296229 /nfs/dbraw/zinc/29/62/29/1395296229.db2.gz ZJWSOSRMVIAPKK-FQEVSTJZSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001484470854 1395405478 /nfs/dbraw/zinc/40/54/78/1395405478.db2.gz VAFOWPBKKOLPSB-SLFFLAALSA-N 1 3 349.563 3.218 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001484470854 1395405481 /nfs/dbraw/zinc/40/54/81/1395405481.db2.gz VAFOWPBKKOLPSB-SLFFLAALSA-N 1 3 349.563 3.218 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001484618166 1395452267 /nfs/dbraw/zinc/45/22/67/1395452267.db2.gz INMUCHAMORRDRR-ZYHOBAKYSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978911 1395619965 /nfs/dbraw/zinc/61/99/65/1395619965.db2.gz KIIVXDAKANWWMA-HKUYNNGSSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CCCCC1 ZINC001484978911 1395619971 /nfs/dbraw/zinc/61/99/71/1395619971.db2.gz KIIVXDAKANWWMA-HKUYNNGSSA-N 1 3 349.563 3.410 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C)N(CC)CC ZINC001485482102 1395965637 /nfs/dbraw/zinc/96/56/37/1395965637.db2.gz IQSJZWXDGKUCPA-OALUTQOASA-N 1 3 337.552 3.434 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C(C)C)N(CC)CC ZINC001485482102 1395965640 /nfs/dbraw/zinc/96/56/40/1395965640.db2.gz IQSJZWXDGKUCPA-OALUTQOASA-N 1 3 337.552 3.434 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001486222181 1396184383 /nfs/dbraw/zinc/18/43/83/1396184383.db2.gz XNPACCAPJPKYPI-ICSRJNTNSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001717960004 1421731844 /nfs/dbraw/zinc/73/18/44/1421731844.db2.gz UNISSUBSWOCQHU-DLBZAZTESA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001492178091 1396313073 /nfs/dbraw/zinc/31/30/73/1396313073.db2.gz LONZHCJJKCTGAI-IBGZPJMESA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001492178091 1396313074 /nfs/dbraw/zinc/31/30/74/1396313074.db2.gz LONZHCJJKCTGAI-IBGZPJMESA-N 1 3 349.494 3.027 10 0 EGAEHO CCCN(C)CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001495959978 1396578732 /nfs/dbraw/zinc/57/87/32/1396578732.db2.gz QJCGRRZYOFEDON-IBGZPJMESA-N 1 3 343.515 3.034 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180356 1396621026 /nfs/dbraw/zinc/62/10/26/1396621026.db2.gz YQGPSGJNMAPIPX-HKUYNNGSSA-N 1 3 349.563 3.266 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497268868 1396740608 /nfs/dbraw/zinc/74/06/08/1396740608.db2.gz QJRYEPALOVGXEE-UWAMSTNLSA-N 1 3 341.515 3.040 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001497761992 1396831546 /nfs/dbraw/zinc/83/15/46/1396831546.db2.gz DOHRMYUHVCBUPD-QWUACUGRSA-N 1 3 335.536 3.093 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490013 1397034967 /nfs/dbraw/zinc/03/49/67/1397034967.db2.gz XFXWRWDAYSJWCI-OALUTQOASA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689909219 1404201870 /nfs/dbraw/zinc/20/18/70/1404201870.db2.gz MHJJVVFBAULIEB-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001689890697 1404188040 /nfs/dbraw/zinc/18/80/40/1404188040.db2.gz CGDGRSFTBHLOJX-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001689890697 1404188041 /nfs/dbraw/zinc/18/80/41/1404188041.db2.gz CGDGRSFTBHLOJX-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)(C(=O)NCCC[N@H+](CC1CCCC1)C1CC1)N1CCCCC1 ZINC001689990901 1404244129 /nfs/dbraw/zinc/24/41/29/1404244129.db2.gz XNOLYRIGJKTPAQ-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NCCC[N@@H+](CC1CCCC1)C1CC1)N1CCCCC1 ZINC001689990901 1404244130 /nfs/dbraw/zinc/24/41/30/1404244130.db2.gz XNOLYRIGJKTPAQ-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CC(=O)N(C)C1CC[NH+](CCCCCF)CC1)CC(C)(C)C ZINC001690027362 1404265322 /nfs/dbraw/zinc/26/53/22/1404265322.db2.gz JLUNWNOJZHBJGT-UHFFFAOYSA-N 1 3 343.531 3.027 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690318183 1404474623 /nfs/dbraw/zinc/47/46/23/1404474623.db2.gz QAQLIGRBMQGXGX-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690318183 1404474629 /nfs/dbraw/zinc/47/46/29/1404474629.db2.gz QAQLIGRBMQGXGX-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001690317902 1404474763 /nfs/dbraw/zinc/47/47/63/1404474763.db2.gz MIJLJIVUDFPHMD-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC001690317902 1404474765 /nfs/dbraw/zinc/47/47/65/1404474765.db2.gz MIJLJIVUDFPHMD-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCC)CC[C@H]21 ZINC001690318446 1404476331 /nfs/dbraw/zinc/47/63/31/1404476331.db2.gz UAUHVFCVTXKKTL-RTBURBONSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCC)CC[C@H]21 ZINC001690318446 1404476333 /nfs/dbraw/zinc/47/63/33/1404476333.db2.gz UAUHVFCVTXKKTL-RTBURBONSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690394059 1404535951 /nfs/dbraw/zinc/53/59/51/1404535951.db2.gz RPVXJZAOUPWBHE-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690394059 1404535955 /nfs/dbraw/zinc/53/59/55/1404535955.db2.gz RPVXJZAOUPWBHE-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001690410097 1404544775 /nfs/dbraw/zinc/54/47/75/1404544775.db2.gz ZWDHQPSCTBTNEI-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690458699 1404588629 /nfs/dbraw/zinc/58/86/29/1404588629.db2.gz GNCYFNKDTUNQIR-OALUTQOASA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001690546223 1404629175 /nfs/dbraw/zinc/62/91/75/1404629175.db2.gz NIUBXLGIMCMNRE-MNNVXMFVSA-N 1 3 349.494 3.244 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757184 1404711380 /nfs/dbraw/zinc/71/13/80/1404711380.db2.gz CHQNBZIIRXOVRT-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001691114758 1405055535 /nfs/dbraw/zinc/05/55/35/1405055535.db2.gz VMTMOHWBCGUQSD-MAEOIBBWSA-N 1 3 349.563 3.029 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001691117026 1405058550 /nfs/dbraw/zinc/05/85/50/1405058550.db2.gz GNELAIHVHHCXRQ-QRVBRYPASA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001691476638 1405293203 /nfs/dbraw/zinc/29/32/03/1405293203.db2.gz NYWIPRJCHHEHGU-UHFFFAOYSA-N 1 3 347.547 3.336 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001691633910 1405371423 /nfs/dbraw/zinc/37/14/23/1405371423.db2.gz LLHYWSLQBNXDPI-OTWHNJEPSA-N 1 3 335.536 3.090 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001691796715 1405507686 /nfs/dbraw/zinc/50/76/86/1405507686.db2.gz MQDXNOZLANLOLM-FXAWDEMLSA-N 1 3 349.494 3.056 10 0 EGAEHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)N(CC)CC ZINC001691831957 1405545736 /nfs/dbraw/zinc/54/57/36/1405545736.db2.gz KRXYGVCBVIVNFT-HSALFYBXSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)N(CC)CC ZINC001691831957 1405545738 /nfs/dbraw/zinc/54/57/38/1405545738.db2.gz KRXYGVCBVIVNFT-HSALFYBXSA-N 1 3 349.563 3.362 10 0 EGAEHO CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001692012653 1405731387 /nfs/dbraw/zinc/73/13/87/1405731387.db2.gz IEMALARPSNZEPP-PXNSSMCTSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(C)C)C1 ZINC001692121738 1405784180 /nfs/dbraw/zinc/78/41/80/1405784180.db2.gz XJQGIGZGQAYVOC-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001692251782 1405876165 /nfs/dbraw/zinc/87/61/65/1405876165.db2.gz BOAINOQVYIKATA-OALUTQOASA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001692251782 1405876169 /nfs/dbraw/zinc/87/61/69/1405876169.db2.gz BOAINOQVYIKATA-OALUTQOASA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692257570 1405884456 /nfs/dbraw/zinc/88/44/56/1405884456.db2.gz JCCQVSCXXAWWHU-GLCUZYPYSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692257570 1405884460 /nfs/dbraw/zinc/88/44/60/1405884460.db2.gz JCCQVSCXXAWWHU-GLCUZYPYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001698581820 1406193779 /nfs/dbraw/zinc/19/37/79/1406193779.db2.gz OLBBRWGTAWMTCI-XSAZBNQGSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001698581820 1406193781 /nfs/dbraw/zinc/19/37/81/1406193781.db2.gz OLBBRWGTAWMTCI-XSAZBNQGSA-N 1 3 335.536 3.138 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001732084716 1428344112 /nfs/dbraw/zinc/34/41/12/1428344112.db2.gz SZTRSQWMHMNSKD-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001732084716 1428344116 /nfs/dbraw/zinc/34/41/16/1428344116.db2.gz SZTRSQWMHMNSKD-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085038 1428344135 /nfs/dbraw/zinc/34/41/35/1428344135.db2.gz YGVVQEKXPOYYPY-RBUKOAKNSA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+](C)C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085038 1428344138 /nfs/dbraw/zinc/34/41/38/1428344138.db2.gz YGVVQEKXPOYYPY-RBUKOAKNSA-N 1 3 345.531 3.177 10 0 EGAEHO CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732213334 1428461588 /nfs/dbraw/zinc/46/15/88/1428461588.db2.gz YBWZDUSIBMHMNE-QFBILLFUSA-N 1 3 343.531 3.120 10 0 EGAEHO CCC[NH2+]C[C@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@H]1C ZINC001732258264 1428498977 /nfs/dbraw/zinc/49/89/77/1428498977.db2.gz CPRQKKPWZNJOEN-DYESRHJHSA-N 1 3 345.531 3.427 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001732316210 1428527328 /nfs/dbraw/zinc/52/73/28/1428527328.db2.gz JZVUYRGFLNSOJJ-PXQOOZMRSA-N 1 3 349.906 3.019 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001732316210 1428527329 /nfs/dbraw/zinc/52/73/29/1428527329.db2.gz JZVUYRGFLNSOJJ-PXQOOZMRSA-N 1 3 349.906 3.019 10 0 EGAEHO C[C@@H]([NH2+]C/C=C/CNC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001699268270 1412605635 /nfs/dbraw/zinc/60/56/35/1412605635.db2.gz VLSBULBAHWKXHE-NHZBNJEXSA-N 1 3 349.906 3.147 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC/C=C/C[NH2+]CCC(C)(C)C)c1 ZINC001699345582 1412654367 /nfs/dbraw/zinc/65/43/67/1412654367.db2.gz PTKQKXCFUOPWII-VOTSOKGWSA-N 1 3 331.504 3.060 10 0 EGAEHO C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001699380211 1412688982 /nfs/dbraw/zinc/68/89/82/1412688982.db2.gz DCKULLJNZIYDLR-BEFAXECRSA-N 1 3 343.531 3.120 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001699863615 1413299282 /nfs/dbraw/zinc/29/92/82/1413299282.db2.gz CBDXASSCFLAXHX-HDICACEKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001699868510 1413311846 /nfs/dbraw/zinc/31/18/46/1413311846.db2.gz MRTHLNLRMQJQKJ-CTNGQTDRSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001699868510 1413311851 /nfs/dbraw/zinc/31/18/51/1413311851.db2.gz MRTHLNLRMQJQKJ-CTNGQTDRSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558624 1428746802 /nfs/dbraw/zinc/74/68/02/1428746802.db2.gz LQHHCISUTIEEBB-PMACEKPBSA-N 1 3 345.531 3.100 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558625 1428746946 /nfs/dbraw/zinc/74/69/46/1428746946.db2.gz LQHHCISUTIEEBB-UXHICEINSA-N 1 3 345.531 3.100 10 0 EGAEHO Cc1cc(C)cc(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001700323945 1413791538 /nfs/dbraw/zinc/79/15/38/1413791538.db2.gz PHXOBKSZZFTJDT-ICSRJNTNSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001700323945 1413791543 /nfs/dbraw/zinc/79/15/43/1413791543.db2.gz PHXOBKSZZFTJDT-ICSRJNTNSA-N 1 3 345.531 3.113 10 0 EGAEHO CCCCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001700522229 1414178258 /nfs/dbraw/zinc/17/82/58/1414178258.db2.gz YKZMIYMGJQBCGY-QZTJIDSGSA-N 1 3 337.552 3.458 10 0 EGAEHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001700550924 1414220896 /nfs/dbraw/zinc/22/08/96/1414220896.db2.gz PZNVIFHBZQTOTO-TUYSUELWSA-N 1 3 343.515 3.155 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001700780637 1414463299 /nfs/dbraw/zinc/46/32/99/1414463299.db2.gz OBNYMRKXRCIGGS-QZTJIDSGSA-N 1 3 333.520 3.141 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C)N(C)C ZINC001700998961 1414649835 /nfs/dbraw/zinc/64/98/35/1414649835.db2.gz YPVIKPOXZQZWBY-MOPGFXCFSA-N 1 3 347.547 3.264 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001701010350 1414668731 /nfs/dbraw/zinc/66/87/31/1414668731.db2.gz YAUCWOBCPABCOM-KQPGTDLCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713061127 1417617483 /nfs/dbraw/zinc/61/74/83/1417617483.db2.gz SQPYAUFPNQIZFZ-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713061127 1417617487 /nfs/dbraw/zinc/61/74/87/1417617487.db2.gz SQPYAUFPNQIZFZ-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001713379025 1417989331 /nfs/dbraw/zinc/98/93/31/1417989331.db2.gz MWZKAMGKMYLPOE-JKCVZHOFSA-N 1 3 337.552 3.338 10 0 EGAEHO CN(CC(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1)CC(C)(C)C ZINC001713467277 1418130486 /nfs/dbraw/zinc/13/04/86/1418130486.db2.gz HBJMHOLZUNOTHW-UHFFFAOYSA-N 1 3 345.531 3.090 10 0 EGAEHO CN(CC(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1)CC(C)(C)C ZINC001713467277 1418130487 /nfs/dbraw/zinc/13/04/87/1418130487.db2.gz HBJMHOLZUNOTHW-UHFFFAOYSA-N 1 3 345.531 3.090 10 0 EGAEHO CC(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001713705437 1418465480 /nfs/dbraw/zinc/46/54/80/1418465480.db2.gz YSIFZVBRFLLNDO-QUCCMNQESA-N 1 3 345.531 3.354 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1)N(CC)CC ZINC001713831106 1418630072 /nfs/dbraw/zinc/63/00/72/1418630072.db2.gz QDSIKXZZFOTIKI-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)N(CC)CC ZINC001713831106 1418630073 /nfs/dbraw/zinc/63/00/73/1418630073.db2.gz QDSIKXZZFOTIKI-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713896856 1418695029 /nfs/dbraw/zinc/69/50/29/1418695029.db2.gz LEARCDVUBYTRBV-VQTJNVASSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713896856 1418695031 /nfs/dbraw/zinc/69/50/31/1418695031.db2.gz LEARCDVUBYTRBV-VQTJNVASSA-N 1 3 349.563 3.386 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001714049602 1418848116 /nfs/dbraw/zinc/84/81/16/1418848116.db2.gz OYEOKYMXQIHXCL-GOSISDBHSA-N 1 3 346.519 3.059 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001714049602 1418848118 /nfs/dbraw/zinc/84/81/18/1418848118.db2.gz OYEOKYMXQIHXCL-GOSISDBHSA-N 1 3 346.519 3.059 10 0 EGAEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001714323557 1419101970 /nfs/dbraw/zinc/10/19/70/1419101970.db2.gz LVCJXVYQBWYVFJ-YJQKKADKSA-N 1 3 349.906 3.018 10 0 EGAEHO CCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714401036 1419144016 /nfs/dbraw/zinc/14/40/16/1419144016.db2.gz HYBWJJAPFSTFTO-ZWKOTPCHSA-N 1 3 337.552 3.458 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CCCC(C)(C)C ZINC001714433250 1419165753 /nfs/dbraw/zinc/16/57/53/1419165753.db2.gz BDKWSKCVOPXOHD-MSOLQXFVSA-N 1 3 339.568 3.419 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001714434653 1419167435 /nfs/dbraw/zinc/16/74/35/1419167435.db2.gz CTQUOXAYXYTCFL-QZTJIDSGSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001714434653 1419167438 /nfs/dbraw/zinc/16/74/38/1419167438.db2.gz CTQUOXAYXYTCFL-QZTJIDSGSA-N 1 3 337.552 3.218 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001714910106 1419655405 /nfs/dbraw/zinc/65/54/05/1419655405.db2.gz SSPTUQMWAODMFR-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001714910106 1419655409 /nfs/dbraw/zinc/65/54/09/1419655409.db2.gz SSPTUQMWAODMFR-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CCC2=CCCCC2)CCCC1)N(C)C ZINC001715094818 1419835663 /nfs/dbraw/zinc/83/56/63/1419835663.db2.gz QWGGNMRLNKDHEC-GOSISDBHSA-N 1 3 335.536 3.236 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157004 1419899674 /nfs/dbraw/zinc/89/96/74/1419899674.db2.gz SZPHUWBPGYBWGM-AZUAARDMSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157005 1419899987 /nfs/dbraw/zinc/89/99/87/1419899987.db2.gz SZPHUWBPGYBWGM-ICSRJNTNSA-N 1 3 347.547 3.047 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001715306929 1420015868 /nfs/dbraw/zinc/01/58/68/1420015868.db2.gz AZYDSKYESRDFNH-UHFFFAOYSA-N 1 3 334.508 3.106 10 0 EGAEHO CC(C)c1ccccc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716028835 1420486576 /nfs/dbraw/zinc/48/65/76/1420486576.db2.gz KYWSIXMXVZSPFB-SQGPQFPESA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)c1ccccc1CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716028835 1420486578 /nfs/dbraw/zinc/48/65/78/1420486578.db2.gz KYWSIXMXVZSPFB-SQGPQFPESA-N 1 3 345.531 3.087 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001716048804 1420512350 /nfs/dbraw/zinc/51/23/50/1420512350.db2.gz FQCOAYOKHOIRDJ-KAGICYHLSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001716048804 1420512352 /nfs/dbraw/zinc/51/23/52/1420512352.db2.gz FQCOAYOKHOIRDJ-KAGICYHLSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001716076472 1420530576 /nfs/dbraw/zinc/53/05/76/1420530576.db2.gz ZJKFWRLKQSSQIM-MOPGFXCFSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN(CC[NH2+]CC1=CCCCC1)C(=O)c1cccc(CN(C)C)c1 ZINC001716255109 1420584835 /nfs/dbraw/zinc/58/48/35/1420584835.db2.gz HVXLKLOOIFDEGY-UHFFFAOYSA-N 1 3 343.515 3.300 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001716441176 1420661247 /nfs/dbraw/zinc/66/12/47/1420661247.db2.gz JOVPVQRAHXWAEY-LNLFQRSKSA-N 1 3 333.520 3.045 10 0 EGAEHO C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001716489106 1420709886 /nfs/dbraw/zinc/70/98/86/1420709886.db2.gz AWBQGGYNSXENOY-KRWDZBQOSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001716489106 1420709887 /nfs/dbraw/zinc/70/98/87/1420709887.db2.gz AWBQGGYNSXENOY-KRWDZBQOSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001716723328 1420880974 /nfs/dbraw/zinc/88/09/74/1420880974.db2.gz DSLXCDVVLTWHAR-HXUWFJFHSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001716723328 1420880975 /nfs/dbraw/zinc/88/09/75/1420880975.db2.gz DSLXCDVVLTWHAR-HXUWFJFHSA-N 1 3 337.552 3.223 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001716767756 1420912949 /nfs/dbraw/zinc/91/29/49/1420912949.db2.gz PMYOPNVDOJTNSM-NHQAVIFJSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@]1(C[NH2+]CCC2CCCCCC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001716874329 1421001020 /nfs/dbraw/zinc/00/10/20/1421001020.db2.gz AURJHQDVSOXNMF-FQEVSTJZSA-N 1 3 346.519 3.141 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001716968693 1421056339 /nfs/dbraw/zinc/05/63/39/1421056339.db2.gz DMOLBNRGCZPOBU-ZWKOTPCHSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001716984634 1421061462 /nfs/dbraw/zinc/06/14/62/1421061462.db2.gz MAGYDAQYRXVZOP-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001716984635 1421061616 /nfs/dbraw/zinc/06/16/16/1421061616.db2.gz MAGYDAQYRXVZOP-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001716999389 1421068884 /nfs/dbraw/zinc/06/88/84/1421068884.db2.gz CDHFHFKMSMOVGQ-VUEZREPRSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001716999389 1421068886 /nfs/dbraw/zinc/06/88/86/1421068886.db2.gz CDHFHFKMSMOVGQ-VUEZREPRSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCCC2)cc1 ZINC001717118378 1421122976 /nfs/dbraw/zinc/12/29/76/1421122976.db2.gz VBTOKRJARZRYGR-QGZVFWFLSA-N 1 3 345.531 3.484 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001717130137 1421130976 /nfs/dbraw/zinc/13/09/76/1421130976.db2.gz LKRLUHFYSHFKJQ-ZMBJWTFHSA-N 1 3 347.547 3.142 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001717202146 1421170245 /nfs/dbraw/zinc/17/02/45/1421170245.db2.gz NJGGDAWMGOEAOX-IBGZPJMESA-N 1 3 349.494 3.028 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309467 1421251967 /nfs/dbraw/zinc/25/19/67/1421251967.db2.gz NGSLHXBRKWLPOX-IHHMQQGQSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309467 1421251969 /nfs/dbraw/zinc/25/19/69/1421251969.db2.gz NGSLHXBRKWLPOX-IHHMQQGQSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC001717338817 1421276419 /nfs/dbraw/zinc/27/64/19/1421276419.db2.gz ATUAFCCBHHUUSP-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC001717338817 1421276421 /nfs/dbraw/zinc/27/64/21/1421276421.db2.gz ATUAFCCBHHUUSP-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001717375891 1421317152 /nfs/dbraw/zinc/31/71/52/1421317152.db2.gz FXKYDMUUFQQJEC-RTBURBONSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001717375891 1421317154 /nfs/dbraw/zinc/31/71/54/1421317154.db2.gz FXKYDMUUFQQJEC-RTBURBONSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001733295743 1429477514 /nfs/dbraw/zinc/47/75/14/1429477514.db2.gz BSIHFMKASATCLO-OAQYLSRUSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001733295743 1429477517 /nfs/dbraw/zinc/47/75/17/1429477517.db2.gz BSIHFMKASATCLO-OAQYLSRUSA-N 1 3 347.547 3.143 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCCC1 ZINC001717527236 1421462902 /nfs/dbraw/zinc/46/29/02/1421462902.db2.gz YYCOENVTGFHDCP-UHFFFAOYSA-N 1 3 346.519 3.250 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)N1CCCC1 ZINC001717537421 1421475498 /nfs/dbraw/zinc/47/54/98/1421475498.db2.gz DXADJFXZNHWISK-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1)N1CCCC1 ZINC001717537421 1421475500 /nfs/dbraw/zinc/47/55/00/1421475500.db2.gz DXADJFXZNHWISK-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001717649664 1421550372 /nfs/dbraw/zinc/55/03/72/1421550372.db2.gz SZKUWJRUWQWASD-FHWLQOOXSA-N 1 3 337.552 3.170 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696518 1421570534 /nfs/dbraw/zinc/57/05/34/1421570534.db2.gz VLJPVAAQIFMUMI-UYAOXDASSA-N 1 3 345.531 3.244 10 0 EGAEHO CC(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001717721694 1421590247 /nfs/dbraw/zinc/59/02/47/1421590247.db2.gz KQDUUMPWUCFPMI-QZTJIDSGSA-N 1 3 325.541 3.026 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001717983465 1421755869 /nfs/dbraw/zinc/75/58/69/1421755869.db2.gz GSDAHMIOTKDGRM-LXXRFIIISA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1)N1CCCCC1 ZINC001733342500 1429525813 /nfs/dbraw/zinc/52/58/13/1429525813.db2.gz YRRUGBSUEZICCZ-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001733458965 1429680497 /nfs/dbraw/zinc/68/04/97/1429680497.db2.gz JTHDDRIPNGUNRS-WBWXQYNJSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001733458965 1429680500 /nfs/dbraw/zinc/68/05/00/1429680500.db2.gz JTHDDRIPNGUNRS-WBWXQYNJSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001724325578 1424814576 /nfs/dbraw/zinc/81/45/76/1424814576.db2.gz YWESIKZMUBYCNR-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001724325578 1424814580 /nfs/dbraw/zinc/81/45/80/1424814580.db2.gz YWESIKZMUBYCNR-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833211 1425179048 /nfs/dbraw/zinc/17/90/48/1425179048.db2.gz BXCXMSXDXRNNSN-XFHJGTJQSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833211 1425179049 /nfs/dbraw/zinc/17/90/49/1425179049.db2.gz BXCXMSXDXRNNSN-XFHJGTJQSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC1([NH2+]CC2CCCCCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001724885539 1425268625 /nfs/dbraw/zinc/26/86/25/1425268625.db2.gz YTDKMPSATGHIIS-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001724885866 1425269100 /nfs/dbraw/zinc/26/91/00/1425269100.db2.gz HCRLIECNCHOUFR-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993940 1425399327 /nfs/dbraw/zinc/39/93/27/1425399327.db2.gz HJUWHEVGFCSKPQ-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CCCC1 ZINC001724993940 1425399332 /nfs/dbraw/zinc/39/93/32/1425399332.db2.gz HJUWHEVGFCSKPQ-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001725226695 1425794789 /nfs/dbraw/zinc/79/47/89/1425794789.db2.gz CTCVOYFXGRBSFN-QZTJIDSGSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001725369337 1426019763 /nfs/dbraw/zinc/01/97/63/1426019763.db2.gz NEMNPXQYTPNKNR-IYARVYRRSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001725798794 1426483391 /nfs/dbraw/zinc/48/33/91/1426483391.db2.gz YUAZEPJLYKZGCY-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731353333 1427293505 /nfs/dbraw/zinc/29/35/05/1427293505.db2.gz LUNYBXZWZZTHDV-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731353333 1427293507 /nfs/dbraw/zinc/29/35/07/1427293507.db2.gz LUNYBXZWZZTHDV-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001731505255 1427489856 /nfs/dbraw/zinc/48/98/56/1427489856.db2.gz TUAWOQCGWZSIJS-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001731505255 1427489857 /nfs/dbraw/zinc/48/98/57/1427489857.db2.gz TUAWOQCGWZSIJS-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001731506584 1427493265 /nfs/dbraw/zinc/49/32/65/1427493265.db2.gz FMYQVVDBZIHVLS-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001731506584 1427493268 /nfs/dbraw/zinc/49/32/68/1427493268.db2.gz FMYQVVDBZIHVLS-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731506871 1427494279 /nfs/dbraw/zinc/49/42/79/1427494279.db2.gz LRXFMZGSLKYSLZ-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731506871 1427494281 /nfs/dbraw/zinc/49/42/81/1427494281.db2.gz LRXFMZGSLKYSLZ-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544555 1427561092 /nfs/dbraw/zinc/56/10/92/1427561092.db2.gz WFFCNFYARQTHPK-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544555 1427561096 /nfs/dbraw/zinc/56/10/96/1427561096.db2.gz WFFCNFYARQTHPK-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)c(C)c1 ZINC001731621819 1427672229 /nfs/dbraw/zinc/67/22/29/1427672229.db2.gz HPPCKARFHVGMGM-ICSRJNTNSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001731641272 1427700577 /nfs/dbraw/zinc/70/05/77/1427700577.db2.gz UEFGOEIYOPKGNZ-IRXDYDNUSA-N 1 3 341.499 3.335 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710165 1427765398 /nfs/dbraw/zinc/76/53/98/1427765398.db2.gz DRVVOBYGQVNNIC-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710165 1427765404 /nfs/dbraw/zinc/76/54/04/1427765404.db2.gz DRVVOBYGQVNNIC-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO Cc1ccccc1CN(C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731777120 1427894824 /nfs/dbraw/zinc/89/48/24/1427894824.db2.gz AFXIFHXLTBRTOE-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccccc1CN(C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001731777120 1427894827 /nfs/dbraw/zinc/89/48/27/1427894827.db2.gz AFXIFHXLTBRTOE-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001731829779 1428037984 /nfs/dbraw/zinc/03/79/84/1428037984.db2.gz SIFDWUMWCISIQZ-QZTJIDSGSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001731829779 1428037988 /nfs/dbraw/zinc/03/79/88/1428037988.db2.gz SIFDWUMWCISIQZ-QZTJIDSGSA-N 1 3 349.544 3.012 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832366 1428043763 /nfs/dbraw/zinc/04/37/63/1428043763.db2.gz BFWNJQGWRXBEPF-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832366 1428043767 /nfs/dbraw/zinc/04/37/67/1428043767.db2.gz BFWNJQGWRXBEPF-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001731840976 1428063289 /nfs/dbraw/zinc/06/32/89/1428063289.db2.gz IANGUQRCKNGPNM-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001731840976 1428063294 /nfs/dbraw/zinc/06/32/94/1428063294.db2.gz IANGUQRCKNGPNM-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001731885541 1428160996 /nfs/dbraw/zinc/16/09/96/1428160996.db2.gz PRGBBNVKVCGOSU-ROUUACIJSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001731885541 1428160997 /nfs/dbraw/zinc/16/09/97/1428160997.db2.gz PRGBBNVKVCGOSU-ROUUACIJSA-N 1 3 349.563 3.410 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766146 1429988517 /nfs/dbraw/zinc/98/85/17/1429988517.db2.gz CBZLAPAOWJZIPJ-UYAOXDASSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766146 1429988519 /nfs/dbraw/zinc/98/85/19/1429988519.db2.gz CBZLAPAOWJZIPJ-UYAOXDASSA-N 1 3 345.531 3.367 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001733782534 1430048934 /nfs/dbraw/zinc/04/89/34/1430048934.db2.gz JXGWCGHSLIKNGB-WOJBJXKFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001733782534 1430048936 /nfs/dbraw/zinc/04/89/36/1430048936.db2.gz JXGWCGHSLIKNGB-WOJBJXKFSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCCCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001733836119 1430108685 /nfs/dbraw/zinc/10/86/85/1430108685.db2.gz PIIWBPGUFWZHCN-GOSISDBHSA-N 1 3 343.515 3.150 10 0 EGAEHO CCCCCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001733836119 1430108686 /nfs/dbraw/zinc/10/86/86/1430108686.db2.gz PIIWBPGUFWZHCN-GOSISDBHSA-N 1 3 343.515 3.150 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001734053170 1437843365 /nfs/dbraw/zinc/84/33/65/1437843365.db2.gz JQJABECIDDGNRL-VQIMIIECSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001734053170 1437843366 /nfs/dbraw/zinc/84/33/66/1437843366.db2.gz JQJABECIDDGNRL-VQIMIIECSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001734057437 1437849096 /nfs/dbraw/zinc/84/90/96/1437849096.db2.gz GPHLZMLTUMRZEM-QFBILLFUSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001734057437 1437849097 /nfs/dbraw/zinc/84/90/97/1437849097.db2.gz GPHLZMLTUMRZEM-QFBILLFUSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734064469 1437859496 /nfs/dbraw/zinc/85/94/96/1437859496.db2.gz BZVFSSUNDARVHK-CABCVRRESA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734064469 1437859498 /nfs/dbraw/zinc/85/94/98/1437859498.db2.gz BZVFSSUNDARVHK-CABCVRRESA-N 1 3 339.911 3.178 10 0 EGAEHO CCCN(C)CC(=O)N(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(C)C ZINC001734554991 1438153900 /nfs/dbraw/zinc/15/39/00/1438153900.db2.gz VWPBVAKSAXPSKE-HXUWFJFHSA-N 1 3 345.531 3.185 10 0 EGAEHO CCCN(C)CC(=O)N(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(C)C ZINC001734554991 1438153902 /nfs/dbraw/zinc/15/39/02/1438153902.db2.gz VWPBVAKSAXPSKE-HXUWFJFHSA-N 1 3 345.531 3.185 10 0 EGAEHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734587164 1438176995 /nfs/dbraw/zinc/17/69/95/1438176995.db2.gz HQEQXGKSFLLJBU-MSOLQXFVSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001734636900 1438196659 /nfs/dbraw/zinc/19/66/59/1438196659.db2.gz QSJBSGQNGIAXBI-GOSISDBHSA-N 1 3 343.515 3.146 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC001734636900 1438196660 /nfs/dbraw/zinc/19/66/60/1438196660.db2.gz QSJBSGQNGIAXBI-GOSISDBHSA-N 1 3 343.515 3.146 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000265919020 283188462 /nfs/dbraw/zinc/18/84/62/283188462.db2.gz BOYYSAGWXLJDJL-FXAWDEMLSA-N 1 3 345.531 3.473 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000265919020 283188465 /nfs/dbraw/zinc/18/84/65/283188465.db2.gz BOYYSAGWXLJDJL-FXAWDEMLSA-N 1 3 345.531 3.473 10 0 EGAEHO CCn1cc(CN2CCCN(c3cc(C)[nH+]c4ccccc43)CC2)cn1 ZINC000112695468 220375744 /nfs/dbraw/zinc/37/57/44/220375744.db2.gz AHHPFDRMTNHRSJ-UHFFFAOYSA-N 1 3 349.482 3.472 10 0 EGAEHO Cc1ccccc1NC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000173307083 144038968 /nfs/dbraw/zinc/03/89/68/144038968.db2.gz RRIWUNRFMGBAOB-UHFFFAOYSA-N 1 3 329.488 3.131 10 0 EGAEHO C[C@H](c1cccc(Cl)c1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000187363798 144157913 /nfs/dbraw/zinc/15/79/13/144157913.db2.gz CFPCUCOWKNTHLN-CQSZACIVSA-N 1 3 341.902 3.498 10 0 EGAEHO CC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000341222788 155213649 /nfs/dbraw/zinc/21/36/49/155213649.db2.gz SJNBPIZHRHWTIY-SFHVURJKSA-N 1 3 349.906 3.124 10 0 EGAEHO CC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000341222786 155212055 /nfs/dbraw/zinc/21/20/55/155212055.db2.gz SJNBPIZHRHWTIY-GOSISDBHSA-N 1 3 349.906 3.124 10 0 EGAEHO Cc1cc(-n2ccnc2)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000191943562 153232242 /nfs/dbraw/zinc/23/22/42/153232242.db2.gz BJXNQFJCBLULQW-UHFFFAOYSA-N 1 3 338.499 3.489 10 0 EGAEHO CCCC[C@@H](CNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192954574 153270687 /nfs/dbraw/zinc/27/06/87/153270687.db2.gz IECXRCAUOZZXQB-XYTVBORESA-N 1 3 339.524 3.285 10 0 EGAEHO CCCC[C@@H](CNC(=O)OC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192954574 153270691 /nfs/dbraw/zinc/27/06/91/153270691.db2.gz IECXRCAUOZZXQB-XYTVBORESA-N 1 3 339.524 3.285 10 0 EGAEHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000337986499 154591689 /nfs/dbraw/zinc/59/16/89/154591689.db2.gz DJJDWHIOTHMHRP-RTWAWAEBSA-N 1 3 327.516 3.102 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349079166 156345978 /nfs/dbraw/zinc/34/59/78/156345978.db2.gz IOUZRZFQLQZZSK-FQEVSTJZSA-N 1 3 343.515 3.163 10 0 EGAEHO c1cn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000248406296 163001406 /nfs/dbraw/zinc/00/14/06/163001406.db2.gz SFPINVGBBLVFFH-PWRODBHTSA-N 1 3 338.499 3.164 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000248757661 163033099 /nfs/dbraw/zinc/03/30/99/163033099.db2.gz GHTDDUBFGSAVHU-ZAAXVRCTSA-N 1 3 332.488 3.235 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2cccc(OCCOC)c2)CC1 ZINC000350217425 165019577 /nfs/dbraw/zinc/01/95/77/165019577.db2.gz HYKDCMSAKAOGLB-UHFFFAOYSA-N 1 3 334.504 3.266 10 0 EGAEHO Cc1nccn1CCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000164617468 226087664 /nfs/dbraw/zinc/08/76/64/226087664.db2.gz AYTZCQUNDWSGMJ-UHFFFAOYSA-N 1 3 340.515 3.268 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000677854747 549344176 /nfs/dbraw/zinc/34/41/76/549344176.db2.gz ZGWZTJHAZCGBIM-IEBWSBKVSA-N 1 3 334.504 3.310 10 0 EGAEHO COc1ccc([C@@H](C)NCCCC[NH+](C)C)c(Br)c1 ZINC000271860941 266740074 /nfs/dbraw/zinc/74/00/74/266740074.db2.gz KFUGIDOGEZVNQM-GFCCVEGCSA-N 1 3 329.282 3.450 10 0 EGAEHO CCN1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482721 276228005 /nfs/dbraw/zinc/22/80/05/276228005.db2.gz HGXVBNTWAUGRRR-LYAPFXNSSA-N 1 3 347.469 3.112 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199443 309066639 /nfs/dbraw/zinc/06/66/39/309066639.db2.gz XBABVFRFQMFNPA-IAGOWNOFSA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199443 309066640 /nfs/dbraw/zinc/06/66/40/309066640.db2.gz XBABVFRFQMFNPA-IAGOWNOFSA-N 1 3 326.488 3.470 10 0 EGAEHO Cc1ccncc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414293475 309071040 /nfs/dbraw/zinc/07/10/40/309071040.db2.gz BJLOZKMBSNFDFI-SFHVURJKSA-N 1 3 339.483 3.068 10 0 EGAEHO Cc1ccncc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414293471 309071052 /nfs/dbraw/zinc/07/10/52/309071052.db2.gz BJLOZKMBSNFDFI-GOSISDBHSA-N 1 3 339.483 3.068 10 0 EGAEHO OC1(C[NH2+][C@@H](C2CC2)C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414294368 309071194 /nfs/dbraw/zinc/07/11/94/309071194.db2.gz CCHONJZIIBNJPT-HXUWFJFHSA-N 1 3 328.500 3.182 10 0 EGAEHO Cc1cc(CNCCN2CCC([NH+](C)C)CC2)ccc1C(F)(F)F ZINC000414373778 309076080 /nfs/dbraw/zinc/07/60/80/309076080.db2.gz ZWLPLCIHFMPMGO-UHFFFAOYSA-N 1 3 343.437 3.129 10 0 EGAEHO Cc1cccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)ccnc12 ZINC000301642610 308708563 /nfs/dbraw/zinc/70/85/63/308708563.db2.gz BTQZBWUFLGYSRR-INIZCTEOSA-N 1 3 325.456 3.456 10 0 EGAEHO CCc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397501698 308904469 /nfs/dbraw/zinc/90/44/69/308904469.db2.gz AWPWPACOZMKIJC-UHFFFAOYSA-N 1 3 338.495 3.366 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000415567274 309137167 /nfs/dbraw/zinc/13/71/67/309137167.db2.gz JPABNEGOJRTHOA-HNNXBMFYSA-N 1 3 340.471 3.132 10 0 EGAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2CNC)C1 ZINC000415908864 309147715 /nfs/dbraw/zinc/14/77/15/309147715.db2.gz DXHGXGFALUFMAU-MRXNPFEDSA-N 1 3 346.519 3.428 10 0 EGAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2CNC)C1 ZINC000415908864 309147716 /nfs/dbraw/zinc/14/77/16/309147716.db2.gz DXHGXGFALUFMAU-MRXNPFEDSA-N 1 3 346.519 3.428 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000420314114 309281430 /nfs/dbraw/zinc/28/14/30/309281430.db2.gz YUEBCZSNKIIDBM-FXAWDEMLSA-N 1 3 332.488 3.161 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369811 309284491 /nfs/dbraw/zinc/28/44/91/309284491.db2.gz JASUVVIQBIQINH-FPDPHYFHSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369811 309284492 /nfs/dbraw/zinc/28/44/92/309284492.db2.gz JASUVVIQBIQINH-FPDPHYFHSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369811 309284493 /nfs/dbraw/zinc/28/44/93/309284493.db2.gz JASUVVIQBIQINH-FPDPHYFHSA-N 1 3 340.467 3.062 10 0 EGAEHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422730442 309365468 /nfs/dbraw/zinc/36/54/68/309365468.db2.gz FAELMWNIPIXLNE-RCCFBDPRSA-N 1 3 333.545 3.007 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000422775789 309367764 /nfs/dbraw/zinc/36/77/64/309367764.db2.gz CICICNNJIBNHKD-PXNSSMCTSA-N 1 3 330.447 3.453 10 0 EGAEHO COc1cccc(-c2ccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422794389 309368589 /nfs/dbraw/zinc/36/85/89/309368589.db2.gz UGAOULMTBKFFNZ-IWMITWMQSA-N 1 3 340.467 3.204 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818231 309370191 /nfs/dbraw/zinc/37/01/91/309370191.db2.gz FSFYGKYYUFMQMB-HNNXBMFYSA-N 1 3 330.520 3.296 10 0 EGAEHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875331 309373229 /nfs/dbraw/zinc/37/32/29/309373229.db2.gz DTYJLRBCYFHNRS-QRVBRYPASA-N 1 3 341.524 3.317 10 0 EGAEHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875329 309373336 /nfs/dbraw/zinc/37/33/36/309373336.db2.gz DTYJLRBCYFHNRS-CEXWTWQISA-N 1 3 341.524 3.317 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422921203 309376324 /nfs/dbraw/zinc/37/63/24/309376324.db2.gz NRIMHPMVADYCSH-AZUAARDMSA-N 1 3 336.483 3.385 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423045225 309382841 /nfs/dbraw/zinc/38/28/41/309382841.db2.gz CPILCEMDVJTKDB-KUDFPVQQSA-N 1 3 338.499 3.020 10 0 EGAEHO COc1ccc([C@H](NC[C@@H]2CCCCN2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423077110 309384707 /nfs/dbraw/zinc/38/47/07/309384707.db2.gz SMPFLBXBRYKTIT-JBACZVJFSA-N 1 3 343.515 3.095 10 0 EGAEHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1C ZINC000423158226 309388686 /nfs/dbraw/zinc/38/86/86/309388686.db2.gz CMJFLXGZMGKSLS-XRXFAXGQSA-N 1 3 330.516 3.107 10 0 EGAEHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)NCC2C[NH2+]C2)nc1 ZINC000423312804 309394739 /nfs/dbraw/zinc/39/47/39/309394739.db2.gz DQYLMAZEDNSKHD-FQEVSTJZSA-N 1 3 343.902 3.260 10 0 EGAEHO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CC2CNC2)nc1 ZINC000423312804 309394740 /nfs/dbraw/zinc/39/47/40/309394740.db2.gz DQYLMAZEDNSKHD-FQEVSTJZSA-N 1 3 343.902 3.260 10 0 EGAEHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423390764 309398484 /nfs/dbraw/zinc/39/84/84/309398484.db2.gz KKGDORYAFIBZQP-MPGHIAIKSA-N 1 3 332.492 3.209 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423405425 309398956 /nfs/dbraw/zinc/39/89/56/309398956.db2.gz TXPJYGXMSUDDAN-UEKVPHQBSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423405425 309398957 /nfs/dbraw/zinc/39/89/57/309398957.db2.gz TXPJYGXMSUDDAN-UEKVPHQBSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487240 309402508 /nfs/dbraw/zinc/40/25/08/309402508.db2.gz TZBREYNNDFUFEU-KBPBESRZSA-N 1 3 333.867 3.104 10 0 EGAEHO Cc1cc(C[C@@H](C)[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)n[nH]1 ZINC000449188267 310043170 /nfs/dbraw/zinc/04/31/70/310043170.db2.gz KAQBSXSLFDYOEA-AEFFLSMTSA-N 1 3 340.515 3.334 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnnn1Cc1ccccc1 ZINC000490607030 311146474 /nfs/dbraw/zinc/14/64/74/311146474.db2.gz YPZBOCBBPHBMGV-GOSISDBHSA-N 1 3 341.503 3.071 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnnn1Cc1ccccc1 ZINC000490607030 311146475 /nfs/dbraw/zinc/14/64/75/311146475.db2.gz YPZBOCBBPHBMGV-GOSISDBHSA-N 1 3 341.503 3.071 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000525981456 312777173 /nfs/dbraw/zinc/77/71/73/312777173.db2.gz DKADNTORCHEYTP-NRFANRHFSA-N 1 3 331.548 3.434 10 0 EGAEHO CN(c1ccccc1C[NH2+]CC[C@@H]1CCCOC1)C1CCN(C)CC1 ZINC000527739364 312929530 /nfs/dbraw/zinc/92/95/30/312929530.db2.gz MQESTIHNHHBEDD-SFHVURJKSA-N 1 3 345.531 3.123 10 0 EGAEHO Cc1ccc2[nH+]ccc(N3CCC(C)(N4CCOCC4)CC3)c2c1 ZINC000528189581 313036296 /nfs/dbraw/zinc/03/62/96/313036296.db2.gz MMKFWTYGXVXSQH-UHFFFAOYSA-N 1 3 325.456 3.234 10 0 EGAEHO CC1(C)CC(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000528509162 313107364 /nfs/dbraw/zinc/10/73/64/313107364.db2.gz RRAXPHUVVTXSGJ-OAQYLSRUSA-N 1 3 341.543 3.315 10 0 EGAEHO CC1(C)CC(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000528509162 313107366 /nfs/dbraw/zinc/10/73/66/313107366.db2.gz RRAXPHUVVTXSGJ-OAQYLSRUSA-N 1 3 341.543 3.315 10 0 EGAEHO CCc1nc(C(C)C)ccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240225 313504070 /nfs/dbraw/zinc/50/40/70/313504070.db2.gz BXSAFGVPCNYGBN-LJQANCHMSA-N 1 3 345.531 3.358 10 0 EGAEHO C[C@H](Cc1ccsc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541760198 314486341 /nfs/dbraw/zinc/48/63/41/314486341.db2.gz BNORQFUYJCNJHO-QGZVFWFLSA-N 1 3 335.561 3.029 10 0 EGAEHO CC(C)CC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C ZINC000553315282 315257147 /nfs/dbraw/zinc/25/71/47/315257147.db2.gz XQULINKSWRKDRP-SFHVURJKSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H](N)c1ccccc1 ZINC000562809381 315904722 /nfs/dbraw/zinc/90/47/22/315904722.db2.gz RQCBAMRDIOLBKK-SFHVURJKSA-N 1 3 341.430 3.136 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000623487255 460576219 /nfs/dbraw/zinc/57/62/19/460576219.db2.gz YTHPIUVALGNPLZ-YSIASYRMSA-N 1 3 329.532 3.359 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCCCSC)CC1 ZINC000088727117 454117957 /nfs/dbraw/zinc/11/79/57/454117957.db2.gz UVJXVXNLQKZKKE-UHFFFAOYSA-N 1 3 335.561 3.451 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C(C)(C)C ZINC000090028401 454264469 /nfs/dbraw/zinc/26/44/69/454264469.db2.gz AWFHOBJCFVWWNI-INIZCTEOSA-N 1 3 331.504 3.036 10 0 EGAEHO CC(C)[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccnc1 ZINC000091348790 454428371 /nfs/dbraw/zinc/42/83/71/454428371.db2.gz FQCYAIZMTRFCCN-FQEVSTJZSA-N 1 3 344.547 3.319 10 0 EGAEHO CC(C)OCCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915649 454669043 /nfs/dbraw/zinc/66/90/43/454669043.db2.gz LGAVIQMBTAZWHE-OAQYLSRUSA-N 1 3 348.531 3.179 10 0 EGAEHO CC(C)OCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915649 454669045 /nfs/dbraw/zinc/66/90/45/454669045.db2.gz LGAVIQMBTAZWHE-OAQYLSRUSA-N 1 3 348.531 3.179 10 0 EGAEHO COCCOc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000152682533 454711378 /nfs/dbraw/zinc/71/13/78/454711378.db2.gz CORRJAGFCABQCE-UHFFFAOYSA-N 1 3 332.488 3.020 10 0 EGAEHO CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000176971153 454806067 /nfs/dbraw/zinc/80/60/67/454806067.db2.gz GKNBSUHUJMPXND-HXUWFJFHSA-N 1 3 345.531 3.473 10 0 EGAEHO CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000176971153 454806069 /nfs/dbraw/zinc/80/60/69/454806069.db2.gz GKNBSUHUJMPXND-HXUWFJFHSA-N 1 3 345.531 3.473 10 0 EGAEHO Cc1nccn1CCC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000163138320 454826339 /nfs/dbraw/zinc/82/63/39/454826339.db2.gz VSFJNBGGMQNHGB-UHFFFAOYSA-N 1 3 341.381 3.203 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154497825 454902004 /nfs/dbraw/zinc/90/20/04/454902004.db2.gz BMERGDCGAMMAPA-MRXNPFEDSA-N 1 3 335.561 3.305 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155659247 455027710 /nfs/dbraw/zinc/02/77/10/455027710.db2.gz WPDVBENBNQHMFQ-QUCCMNQESA-N 1 3 345.531 3.133 10 0 EGAEHO C[C@H](c1cc(F)ccc1F)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247190998 455571582 /nfs/dbraw/zinc/57/15/82/455571582.db2.gz OEOPJRVCOSJLPA-UONOGXRCSA-N 1 3 326.431 3.050 10 0 EGAEHO Cc1ccccc1C(=O)NC1CC[NH+](CC[C@@H]2CCCCN2C)CC1 ZINC000268087789 455590865 /nfs/dbraw/zinc/59/08/65/455590865.db2.gz ICIQHQQQEOQJBS-IBGZPJMESA-N 1 3 343.515 3.064 10 0 EGAEHO Cc1ccncc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284031632 455626446 /nfs/dbraw/zinc/62/64/46/455626446.db2.gz OGLNEHHPXXGYLW-UHFFFAOYSA-N 1 3 325.456 3.153 10 0 EGAEHO CCn1nccc1CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285467234 455851211 /nfs/dbraw/zinc/85/12/11/455851211.db2.gz HGBSRLZPEIMSJS-NRFANRHFSA-N 1 3 338.499 3.044 10 0 EGAEHO CCn1nccc1CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285467234 455851213 /nfs/dbraw/zinc/85/12/13/455851213.db2.gz HGBSRLZPEIMSJS-NRFANRHFSA-N 1 3 338.499 3.044 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000617008098 460702870 /nfs/dbraw/zinc/70/28/70/460702870.db2.gz BGZMCWBXURDDQY-SFHVURJKSA-N 1 3 331.504 3.131 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)F ZINC000296642508 455998825 /nfs/dbraw/zinc/99/88/25/455998825.db2.gz YFCMSGINXARZOC-IECFSIQFSA-N 1 3 338.442 3.176 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(F)F ZINC000296642508 455998831 /nfs/dbraw/zinc/99/88/31/455998831.db2.gz YFCMSGINXARZOC-IECFSIQFSA-N 1 3 338.442 3.176 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000352832221 456345769 /nfs/dbraw/zinc/34/57/69/456345769.db2.gz FESWRPDZCRLHBL-YRISNDGFSA-N 1 3 328.500 3.335 10 0 EGAEHO CCO[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1SC ZINC000298283260 456414392 /nfs/dbraw/zinc/41/43/92/456414392.db2.gz GYFUZBBRPMFKIV-IPMKNSEASA-N 1 3 334.529 3.281 10 0 EGAEHO COCc1cccc(OCC2(C[N@@H+]3CC[C@H](CN(C)C)C3)CCC2)c1 ZINC000343317520 456526915 /nfs/dbraw/zinc/52/69/15/456526915.db2.gz VQFPVGICUALTGZ-LJQANCHMSA-N 1 3 346.515 3.266 10 0 EGAEHO COCc1cccc(OCC2(C[N@H+]3CC[C@H](CN(C)C)C3)CCC2)c1 ZINC000343317520 456526921 /nfs/dbraw/zinc/52/69/21/456526921.db2.gz VQFPVGICUALTGZ-LJQANCHMSA-N 1 3 346.515 3.266 10 0 EGAEHO COCc1cccc(OCC2(CN3CC[C@H](C[NH+](C)C)C3)CCC2)c1 ZINC000343317520 456526924 /nfs/dbraw/zinc/52/69/24/456526924.db2.gz VQFPVGICUALTGZ-LJQANCHMSA-N 1 3 346.515 3.266 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000353383584 456663216 /nfs/dbraw/zinc/66/32/16/456663216.db2.gz GEOUEESTZMQPEY-XDNAFOTISA-N 1 3 330.472 3.371 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000353383584 456663223 /nfs/dbraw/zinc/66/32/23/456663223.db2.gz GEOUEESTZMQPEY-XDNAFOTISA-N 1 3 330.472 3.371 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353525601 456736738 /nfs/dbraw/zinc/73/67/38/456736738.db2.gz HKULPZSBIDOQQV-WOZUAGRISA-N 1 3 327.516 3.113 10 0 EGAEHO CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000354166640 457104329 /nfs/dbraw/zinc/10/43/29/457104329.db2.gz XKLSTEDRBDCSGQ-SEJPIABJSA-N 1 3 327.516 3.256 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000356890418 457200790 /nfs/dbraw/zinc/20/07/90/457200790.db2.gz GVEUZUPQXCBPQU-FQEVSTJZSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000356890418 457200798 /nfs/dbraw/zinc/20/07/98/457200798.db2.gz GVEUZUPQXCBPQU-FQEVSTJZSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397497237 457487797 /nfs/dbraw/zinc/48/77/97/457487797.db2.gz CHGSTZJBIIDKAY-QWFCFKBJSA-N 1 3 330.516 3.428 10 0 EGAEHO CS[C@@H]1CC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000425363957 457519431 /nfs/dbraw/zinc/51/94/31/457519431.db2.gz YAVOLEBIGIDKBX-VQTJNVASSA-N 1 3 347.572 3.068 10 0 EGAEHO OC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC000403697137 457534350 /nfs/dbraw/zinc/53/43/50/457534350.db2.gz SOZCQPKATVNJJQ-AQNXPRMDSA-N 1 3 328.500 3.039 10 0 EGAEHO Cc1cc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc(C)c1F ZINC000361344162 457700178 /nfs/dbraw/zinc/70/01/78/457700178.db2.gz CODNAYXCULONCP-MRXNPFEDSA-N 1 3 349.494 3.036 10 0 EGAEHO CN1CCC[C@@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CC[C@H]21 ZINC000361669304 457815225 /nfs/dbraw/zinc/81/52/25/457815225.db2.gz AHHVISZZASQLSJ-HUUCEWRRSA-N 1 3 346.500 3.147 10 0 EGAEHO CN1CCC[C@@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CC[C@H]21 ZINC000361669304 457815233 /nfs/dbraw/zinc/81/52/33/457815233.db2.gz AHHVISZZASQLSJ-HUUCEWRRSA-N 1 3 346.500 3.147 10 0 EGAEHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300671 457920425 /nfs/dbraw/zinc/92/04/25/457920425.db2.gz NVHPZGZCUVNRSC-RRQGHBQHSA-N 1 3 334.529 3.265 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000423483057 458439842 /nfs/dbraw/zinc/43/98/42/458439842.db2.gz PSSBWLUQNSVCHX-HNNXBMFYSA-N 1 3 331.495 3.252 10 0 EGAEHO Cc1nc2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2s1 ZINC000494017808 458616152 /nfs/dbraw/zinc/61/61/52/458616152.db2.gz NVMFRLMLUVQHNS-INIZCTEOSA-N 1 3 345.512 3.195 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000462793063 458655948 /nfs/dbraw/zinc/65/59/48/458655948.db2.gz PUNXVCGYQWBSQT-HSALFYBXSA-N 1 3 346.515 3.312 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000494926066 458767127 /nfs/dbraw/zinc/76/71/27/458767127.db2.gz WCQIEVHBKZZSSF-DYXWJJEUSA-N 1 3 329.532 3.219 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000495175905 458805558 /nfs/dbraw/zinc/80/55/58/458805558.db2.gz VOXIEZVMNRLUDK-IBGZPJMESA-N 1 3 345.531 3.266 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000480161533 459185753 /nfs/dbraw/zinc/18/57/53/459185753.db2.gz RYAUGVPTRPJUNQ-CTNGQTDRSA-N 1 3 329.532 3.363 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568520473 459301822 /nfs/dbraw/zinc/30/18/22/459301822.db2.gz BLOYJSMGYUMSBM-INIZCTEOSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568520473 459301829 /nfs/dbraw/zinc/30/18/29/459301829.db2.gz BLOYJSMGYUMSBM-INIZCTEOSA-N 1 3 349.563 3.266 10 0 EGAEHO O=C(CCN1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccc2ccccc21 ZINC000583025430 459468713 /nfs/dbraw/zinc/46/87/13/459468713.db2.gz ZZXMHTPTMGSHQD-OAQYLSRUSA-N 1 3 337.467 3.244 10 0 EGAEHO O=C(CC[N@@H+]1CC[C@]2(C1)CCCNC2)Nc1cccc2ccccc21 ZINC000583025430 459468719 /nfs/dbraw/zinc/46/87/19/459468719.db2.gz ZZXMHTPTMGSHQD-OAQYLSRUSA-N 1 3 337.467 3.244 10 0 EGAEHO O=C(CC[N@H+]1CC[C@]2(C1)CCCNC2)Nc1cccc2ccccc21 ZINC000583025430 459468724 /nfs/dbraw/zinc/46/87/24/459468724.db2.gz ZZXMHTPTMGSHQD-OAQYLSRUSA-N 1 3 337.467 3.244 10 0 EGAEHO C[NH+]1CCC2(CC1)CN(CCCSCc1ccccc1)CCO2 ZINC000592183902 459544515 /nfs/dbraw/zinc/54/45/15/459544515.db2.gz DSHUUGKLAKRAGS-UHFFFAOYSA-N 1 3 334.529 3.107 10 0 EGAEHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCCNC1 ZINC000562748212 459640278 /nfs/dbraw/zinc/64/02/78/459640278.db2.gz ZUVDVRBHZKFQET-WFASDCNBSA-N 1 3 343.393 3.154 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CNCc2ccnc(C)c2)cc1 ZINC000527638749 459680389 /nfs/dbraw/zinc/68/03/89/459680389.db2.gz YOIZEWLFVGGMEB-UHFFFAOYSA-N 1 3 327.472 3.400 10 0 EGAEHO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599070616 460150260 /nfs/dbraw/zinc/15/02/60/460150260.db2.gz MAWFCQVDZOBRJQ-IAGOWNOFSA-N 1 3 326.525 3.456 10 0 EGAEHO C[C@@H](N[C@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657895 460492560 /nfs/dbraw/zinc/49/25/60/460492560.db2.gz AZKQWFZAHGCKHK-MLGOLLRUSA-N 1 3 330.394 3.059 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623432683 460547174 /nfs/dbraw/zinc/54/71/74/460547174.db2.gz FGOZXLLCMGWSFT-KRWDZBQOSA-N 1 3 330.451 3.016 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623432683 460547176 /nfs/dbraw/zinc/54/71/76/460547176.db2.gz FGOZXLLCMGWSFT-KRWDZBQOSA-N 1 3 330.451 3.016 10 0 EGAEHO Clc1cccc2c(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556173 460806041 /nfs/dbraw/zinc/80/60/41/460806041.db2.gz LUCNAZKWNDDXAF-RYQLBKOJSA-N 1 3 347.890 3.111 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621378041 461014316 /nfs/dbraw/zinc/01/43/16/461014316.db2.gz MKUTZNXJRORJLA-QGZVFWFLSA-N 1 3 337.458 3.354 10 0 EGAEHO COc1ccc(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000652344601 461139744 /nfs/dbraw/zinc/13/97/44/461139744.db2.gz PWCLNZBGLLZIRG-UHFFFAOYSA-N 1 3 337.467 3.116 10 0 EGAEHO Fc1ccccc1CC[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662251325 461144146 /nfs/dbraw/zinc/14/41/46/461144146.db2.gz CUYOQNXATVSOJW-GOSISDBHSA-N 1 3 332.463 3.134 10 0 EGAEHO Fc1ccccc1CC[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662251325 461144155 /nfs/dbraw/zinc/14/41/55/461144155.db2.gz CUYOQNXATVSOJW-GOSISDBHSA-N 1 3 332.463 3.134 10 0 EGAEHO CCN(CCOc1ccccc1OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662320907 461190853 /nfs/dbraw/zinc/19/08/53/461190853.db2.gz FQDMUWVRASAGEZ-UHFFFAOYSA-N 1 3 340.467 3.242 10 0 EGAEHO [NH3+]Cc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000646409017 461241999 /nfs/dbraw/zinc/24/19/99/461241999.db2.gz YHKVYEWCTJOZHH-HXUWFJFHSA-N 1 3 337.467 3.102 10 0 EGAEHO C[C@H](Cc1cccs1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000666234747 461521730 /nfs/dbraw/zinc/52/17/30/461521730.db2.gz XDMYDTMQTBVNOA-QGZVFWFLSA-N 1 3 344.524 3.296 10 0 EGAEHO C[C@H]1CN(Cc2cccc(C(C)(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660154139 461608859 /nfs/dbraw/zinc/60/88/59/461608859.db2.gz JGBDLQBAUNVOJA-GHTZIAJQSA-N 1 3 343.559 3.442 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647282826 461610626 /nfs/dbraw/zinc/61/06/26/461610626.db2.gz WLPKZRMZAONBAW-FQEVSTJZSA-N 1 3 332.536 3.176 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000666857939 461839340 /nfs/dbraw/zinc/83/93/40/461839340.db2.gz QOGTZIXGLKKBLX-FZMZJTMJSA-N 1 3 329.257 3.251 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995378 461927899 /nfs/dbraw/zinc/92/78/99/461927899.db2.gz SGGGMZVPIGJSEA-HXUWFJFHSA-N 1 3 339.483 3.353 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995378 461927907 /nfs/dbraw/zinc/92/79/07/461927907.db2.gz SGGGMZVPIGJSEA-HXUWFJFHSA-N 1 3 339.483 3.353 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+](Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995378 461927915 /nfs/dbraw/zinc/92/79/15/461927915.db2.gz SGGGMZVPIGJSEA-HXUWFJFHSA-N 1 3 339.483 3.353 10 0 EGAEHO Cc1ccccc1-n1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000648035713 461952831 /nfs/dbraw/zinc/95/28/31/461952831.db2.gz MYENQNRMJPOLAK-HXUWFJFHSA-N 1 3 338.499 3.344 10 0 EGAEHO CCOc1cc2[nH+]ccc(N(C)CC3CN(C)C3)c2cc1OCC ZINC000664330761 462021698 /nfs/dbraw/zinc/02/16/98/462021698.db2.gz MTDQTBORHVNESH-UHFFFAOYSA-N 1 3 329.444 3.030 10 0 EGAEHO c1cc(O[C@@H]2CCOC2)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000667501556 462115613 /nfs/dbraw/zinc/11/56/13/462115613.db2.gz AFFCGFABFYDZCN-OAQYLSRUSA-N 1 3 344.499 3.162 10 0 EGAEHO COC[C@@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)C1CCOCC1 ZINC000661154760 462126725 /nfs/dbraw/zinc/12/67/25/462126725.db2.gz OHGMQISOXZFEFX-OAQYLSRUSA-N 1 3 346.515 3.204 10 0 EGAEHO CC(C)(C)N1CC[C@@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000657526263 462168113 /nfs/dbraw/zinc/16/81/13/462168113.db2.gz FFTHKXVYBUOSGR-HXUWFJFHSA-N 1 3 329.532 3.156 10 0 EGAEHO C[C@H]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664186 462220792 /nfs/dbraw/zinc/22/07/92/462220792.db2.gz IFCVVTFBFAXLHG-PXNSSMCTSA-N 1 3 345.531 3.264 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657663953 462221638 /nfs/dbraw/zinc/22/16/38/462221638.db2.gz GTYZNNUDKBKMPB-SFHVURJKSA-N 1 3 337.458 3.354 10 0 EGAEHO CC[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774126 462261506 /nfs/dbraw/zinc/26/15/06/462261506.db2.gz XHFAQBRQBBZDQQ-HSALFYBXSA-N 1 3 328.500 3.446 10 0 EGAEHO CC[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774126 462261509 /nfs/dbraw/zinc/26/15/09/462261509.db2.gz XHFAQBRQBBZDQQ-HSALFYBXSA-N 1 3 328.500 3.446 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667788970 462262666 /nfs/dbraw/zinc/26/26/66/462262666.db2.gz AQOOUYYNJPUBIV-AZUAARDMSA-N 1 3 332.488 3.064 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667788972 462263165 /nfs/dbraw/zinc/26/31/65/462263165.db2.gz AQOOUYYNJPUBIV-QUCCMNQESA-N 1 3 332.488 3.064 10 0 EGAEHO c1ccc(N2CCN(CCCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657849245 462295145 /nfs/dbraw/zinc/29/51/45/462295145.db2.gz DTZKGMVKZFGMKU-LJQANCHMSA-N 1 3 347.572 3.464 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C(C)(C)C(F)F ZINC000657901456 462312144 /nfs/dbraw/zinc/31/21/44/462312144.db2.gz UBFKMNVXYJNGNX-CQSZACIVSA-N 1 3 340.458 3.413 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000658053499 462358474 /nfs/dbraw/zinc/35/84/74/462358474.db2.gz BJSZOWCNVKCAAU-WMZOPIPTSA-N 1 3 333.520 3.150 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658053963 462359430 /nfs/dbraw/zinc/35/94/30/462359430.db2.gz CDZBJFWDAAHRBV-SXLOBPIMSA-N 1 3 329.532 3.359 10 0 EGAEHO CC(C)[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658068810 462366524 /nfs/dbraw/zinc/36/65/24/462366524.db2.gz AAAILYMWDONWBE-HXUWFJFHSA-N 1 3 349.494 3.398 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)COc1c(F)cccc1F ZINC000665261784 462375692 /nfs/dbraw/zinc/37/56/92/462375692.db2.gz LHTLMCJTEGOMNL-NEPJUHHUSA-N 1 3 335.398 3.245 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000665281265 462383614 /nfs/dbraw/zinc/38/36/14/462383614.db2.gz YRZIUYGJZOZFTL-MAUKXSAKSA-N 1 3 330.476 3.023 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)cc2)C1 ZINC000658135401 462399801 /nfs/dbraw/zinc/39/98/01/462399801.db2.gz DLQGLRKGBLZQEK-VAMGGRTRSA-N 1 3 334.479 3.261 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137312 462399937 /nfs/dbraw/zinc/39/99/37/462399937.db2.gz KJGJYFINLOMJSF-LEWJYISDSA-N 1 3 328.500 3.312 10 0 EGAEHO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138769 462402429 /nfs/dbraw/zinc/40/24/29/462402429.db2.gz NXCVXEZJQRCAJR-OXJNMPFZSA-N 1 3 344.524 3.426 10 0 EGAEHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140268 462403231 /nfs/dbraw/zinc/40/32/31/462403231.db2.gz PGWDVDDTDNJCCZ-IRLDBZIGSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140268 462403234 /nfs/dbraw/zinc/40/32/34/462403234.db2.gz PGWDVDDTDNJCCZ-IRLDBZIGSA-N 1 3 336.479 3.339 10 0 EGAEHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658143575 462407703 /nfs/dbraw/zinc/40/77/03/462407703.db2.gz ZJAFCAXQTPSITJ-CNDZOEFASA-N 1 3 336.479 3.276 10 0 EGAEHO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000652246183 462487955 /nfs/dbraw/zinc/48/79/55/462487955.db2.gz MSTCUVGFOQYGIQ-HRAATJIYSA-N 1 3 346.515 3.483 10 0 EGAEHO CCOc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OC(F)F ZINC000075780786 1292410803 /nfs/dbraw/zinc/41/08/03/1292410803.db2.gz FTCPTWRVWLHJRY-CQSZACIVSA-N 1 3 340.414 3.261 10 0 EGAEHO O=C(OC[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCN(C2CC2)CC1 ZINC000870732875 1296051476 /nfs/dbraw/zinc/05/14/76/1296051476.db2.gz KMZPSKQLJGBSPF-IBGZPJMESA-N 1 3 334.504 3.201 10 0 EGAEHO O=C(OC[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCN(C2CC2)CC1 ZINC000870732875 1296051488 /nfs/dbraw/zinc/05/14/88/1296051488.db2.gz KMZPSKQLJGBSPF-IBGZPJMESA-N 1 3 334.504 3.201 10 0 EGAEHO CC(C)OC[C@H](Cc1ccc(F)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872021000 1296662763 /nfs/dbraw/zinc/66/27/63/1296662763.db2.gz MLURMNPDZHZDTG-HKUYNNGSSA-N 1 3 334.479 3.236 10 0 EGAEHO CC(C)OC[C@H](Cc1ccc(F)cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000872021000 1296662770 /nfs/dbraw/zinc/66/27/70/1296662770.db2.gz MLURMNPDZHZDTG-HKUYNNGSSA-N 1 3 334.479 3.236 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000305880302 1297061977 /nfs/dbraw/zinc/06/19/77/1297061977.db2.gz UIRBTLCSRJPKEI-GXRSIYKFSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000305880302 1297061997 /nfs/dbraw/zinc/06/19/97/1297061997.db2.gz UIRBTLCSRJPKEI-GXRSIYKFSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000305880302 1297062007 /nfs/dbraw/zinc/06/20/07/1297062007.db2.gz UIRBTLCSRJPKEI-GXRSIYKFSA-N 1 3 336.479 3.220 10 0 EGAEHO CN1CCC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466298 1297583244 /nfs/dbraw/zinc/58/32/44/1297583244.db2.gz JPMMAFFOZHQYMB-SFHVURJKSA-N 1 3 347.503 3.285 10 0 EGAEHO C[N@@H+]1CCC[C@H](NCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466298 1297583248 /nfs/dbraw/zinc/58/32/48/1297583248.db2.gz JPMMAFFOZHQYMB-SFHVURJKSA-N 1 3 347.503 3.285 10 0 EGAEHO C[N@H+]1CCC[C@H](NCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466298 1297583251 /nfs/dbraw/zinc/58/32/51/1297583251.db2.gz JPMMAFFOZHQYMB-SFHVURJKSA-N 1 3 347.503 3.285 10 0 EGAEHO CC(C)CN1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000393389036 1297666691 /nfs/dbraw/zinc/66/66/91/1297666691.db2.gz JPQWKJUIKMIRPV-UHFFFAOYSA-N 1 3 339.524 3.144 10 0 EGAEHO CC(C)C[NH+]1CCC(NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000393389036 1297666702 /nfs/dbraw/zinc/66/67/02/1297666702.db2.gz JPQWKJUIKMIRPV-UHFFFAOYSA-N 1 3 339.524 3.144 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560125 1298281648 /nfs/dbraw/zinc/28/16/48/1298281648.db2.gz XJRGPKFSYUQGHY-TWMKSMIVSA-N 1 3 339.524 3.237 10 0 EGAEHO CN(Cc1cnc(N)s1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719957641 1298326576 /nfs/dbraw/zinc/32/65/76/1298326576.db2.gz FEPVFVTYPAGRFA-UHFFFAOYSA-N 1 3 330.501 3.069 10 0 EGAEHO C[C@H]1C[N@H+](C[C@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559019 1309401842 /nfs/dbraw/zinc/40/18/42/1309401842.db2.gz YRISDDPUZDQKJR-RBUKOAKNSA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@H]1C[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559019 1309401846 /nfs/dbraw/zinc/40/18/46/1309401846.db2.gz YRISDDPUZDQKJR-RBUKOAKNSA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@H]1CN(C[C@H]2CCN(c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000895559019 1309401849 /nfs/dbraw/zinc/40/18/49/1309401849.db2.gz YRISDDPUZDQKJR-RBUKOAKNSA-N 1 3 336.483 3.119 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1(C)C ZINC000858144884 1328695302 /nfs/dbraw/zinc/69/53/02/1328695302.db2.gz WAIMNBXPPDYOIL-FZMZJTMJSA-N 1 3 331.287 3.489 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+](CC3CCC4(CC4)CC3)CC2)CC1 ZINC000930130122 1328792855 /nfs/dbraw/zinc/79/28/55/1328792855.db2.gz GYFFGNKPDZMOJA-UHFFFAOYSA-N 1 3 333.564 3.447 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC2CC2)[C@@H]2CCCC[C@H]12 ZINC000923312073 1322731806 /nfs/dbraw/zinc/73/18/06/1322731806.db2.gz HLKZPAYAKOUMBK-ORFRNNEJSA-N 1 3 349.563 3.312 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC2CC2)[C@@H]2CCCC[C@H]12 ZINC000923312073 1322731812 /nfs/dbraw/zinc/73/18/12/1322731812.db2.gz HLKZPAYAKOUMBK-ORFRNNEJSA-N 1 3 349.563 3.312 10 0 EGAEHO O[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329808 1322734629 /nfs/dbraw/zinc/73/46/29/1322734629.db2.gz YTFBVVABRLJKOU-VSKRKVRLSA-N 1 3 338.495 3.207 10 0 EGAEHO FC(F)C(F)(F)COCCN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506511 1322765688 /nfs/dbraw/zinc/76/56/88/1322765688.db2.gz JBMICRVCJAUULI-ZDUSSCGKSA-N 1 3 340.405 3.005 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc2c1OCO2 ZINC000925070242 1323265411 /nfs/dbraw/zinc/26/54/11/1323265411.db2.gz DUVQIVUKFYLPKX-CYBMUJFWSA-N 1 3 330.403 3.467 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931309007 1329090472 /nfs/dbraw/zinc/09/04/72/1329090472.db2.gz PXCCUXZLJOTMDP-OYRHEFFESA-N 1 3 343.515 3.296 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931309007 1329090475 /nfs/dbraw/zinc/09/04/75/1329090475.db2.gz PXCCUXZLJOTMDP-OYRHEFFESA-N 1 3 343.515 3.296 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)c1 ZINC000925502665 1325181065 /nfs/dbraw/zinc/18/10/65/1325181065.db2.gz GXQVHLFMFLEJCL-YESZJQIVSA-N 1 3 331.504 3.160 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925508565 1325183615 /nfs/dbraw/zinc/18/36/15/1325183615.db2.gz HDZGMIRXYAOSBE-MNEFBYGVSA-N 1 3 326.488 3.101 10 0 EGAEHO C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515993 1325187169 /nfs/dbraw/zinc/18/71/69/1325187169.db2.gz QWSDUFOPWYIHCA-DFBGVHRSSA-N 1 3 339.277 3.076 10 0 EGAEHO Cc1nc2ccccc2n1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925516564 1325187378 /nfs/dbraw/zinc/18/73/78/1325187378.db2.gz DQSTYWNSBANNFF-MSOLQXFVSA-N 1 3 326.488 3.103 10 0 EGAEHO CCOc1c(OC)cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533984 1325196168 /nfs/dbraw/zinc/19/61/68/1325196168.db2.gz HUYOEOAJXNPRRU-GJZGRUSLSA-N 1 3 336.476 3.098 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925551853 1325205195 /nfs/dbraw/zinc/20/51/95/1325205195.db2.gz UFQGNZVYBUDNCA-UONOGXRCSA-N 1 3 337.895 3.473 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCN(CC(C)C)C2)n(C)n1 ZINC000925589180 1325223491 /nfs/dbraw/zinc/22/34/91/1325223491.db2.gz VZHNTGWSCKRBHS-ZJOUEHCJSA-N 1 3 346.563 3.397 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000925653555 1325248617 /nfs/dbraw/zinc/24/86/17/1325248617.db2.gz NCHRJBKPGKRVRY-RNQOJCNYSA-N 1 3 327.516 3.269 10 0 EGAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@@H]3Cc4c(cccc4Br)[C@@H]31)[NH2+]2 ZINC000925724124 1325270479 /nfs/dbraw/zinc/27/04/79/1325270479.db2.gz GTFIUQHVMKFDOW-XDYBMWTLSA-N 1 3 347.300 3.206 10 0 EGAEHO CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794086 1325303969 /nfs/dbraw/zinc/30/39/69/1325303969.db2.gz GIAMVMFEZKUKIE-RTBURBONSA-N 1 3 334.479 3.141 10 0 EGAEHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cc(F)cc(F)c1 ZINC000925810721 1325310846 /nfs/dbraw/zinc/31/08/46/1325310846.db2.gz XMESLGYOFXYMTR-OAHLLOKOSA-N 1 3 345.437 3.221 10 0 EGAEHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cc1 ZINC000925811319 1325313139 /nfs/dbraw/zinc/31/31/39/1325313139.db2.gz ZQXFCLWCJNUMSV-INIZCTEOSA-N 1 3 327.447 3.082 10 0 EGAEHO CC(C)CC[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850100 1325329509 /nfs/dbraw/zinc/32/95/09/1325329509.db2.gz NBWWKXIHIPDIFH-DLBZAZTESA-N 1 3 334.460 3.032 10 0 EGAEHO CCN1CC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000926857596 1327742936 /nfs/dbraw/zinc/74/29/36/1327742936.db2.gz FKNCEOZUVKCBQK-OTYNDTSQSA-N 1 3 327.516 3.256 10 0 EGAEHO CC(=O)NCC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000865480682 1329703382 /nfs/dbraw/zinc/70/33/82/1329703382.db2.gz PBQMOQPOZZJSOL-UHFFFAOYSA-N 1 3 335.536 3.068 10 0 EGAEHO CN(CC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)CC(C)(C)C ZINC001323062087 1387278732 /nfs/dbraw/zinc/27/87/32/1387278732.db2.gz FLMHEDOUBHCHDX-GOSISDBHSA-N 1 3 349.563 3.029 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001324494629 1387647399 /nfs/dbraw/zinc/64/73/99/1387647399.db2.gz IDSIFDFBCLXUPZ-SFHVURJKSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001325454734 1387977696 /nfs/dbraw/zinc/97/76/96/1387977696.db2.gz GVUIXANHLVQRDF-PKOBYXMFSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCC1 ZINC001326927555 1388352211 /nfs/dbraw/zinc/35/22/11/1388352211.db2.gz DNXXNZMTSWNVHG-SFHVURJKSA-N 1 3 335.536 3.092 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001265978418 1377174702 /nfs/dbraw/zinc/17/47/02/1377174702.db2.gz MLNGDZOMZKWEOL-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001265978418 1377174706 /nfs/dbraw/zinc/17/47/06/1377174706.db2.gz MLNGDZOMZKWEOL-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001275768222 1378156194 /nfs/dbraw/zinc/15/61/94/1378156194.db2.gz NTLWBZQFSFPFEQ-SLXDBMQSSA-N 1 3 335.536 3.092 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001281968894 1378465872 /nfs/dbraw/zinc/46/58/72/1378465872.db2.gz QZHNOVLUPKJTAM-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001281968894 1378465873 /nfs/dbraw/zinc/46/58/73/1378465873.db2.gz QZHNOVLUPKJTAM-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCC(C)C)C2)C1)N(C)C ZINC001327532444 1388553564 /nfs/dbraw/zinc/55/35/64/1388553564.db2.gz YHXNFVPCANQBMM-UYAOXDASSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCCC(C)C)C2)C1)N(C)C ZINC001327532444 1388553566 /nfs/dbraw/zinc/55/35/66/1388553566.db2.gz YHXNFVPCANQBMM-UYAOXDASSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N(C)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)CC(C)(C)C ZINC001283534756 1379005557 /nfs/dbraw/zinc/00/55/57/1379005557.db2.gz ZGTQPDBTKNVNQZ-IBGZPJMESA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001283912733 1379263109 /nfs/dbraw/zinc/26/31/09/1379263109.db2.gz DCOVLNTXAIWHNO-FUHWJXTLSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001284529880 1379933893 /nfs/dbraw/zinc/93/38/93/1379933893.db2.gz NPFMERGGEVENGP-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CCCN1C ZINC001284529880 1379933895 /nfs/dbraw/zinc/93/38/95/1379933895.db2.gz NPFMERGGEVENGP-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1cccc(CN(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C(C)C)c1 ZINC001284544071 1379950787 /nfs/dbraw/zinc/95/07/87/1379950787.db2.gz KTZYLRHNUDHIJB-IBGZPJMESA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1cccc(CN(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C(C)C)c1 ZINC001284544071 1379950791 /nfs/dbraw/zinc/95/07/91/1379950791.db2.gz KTZYLRHNUDHIJB-IBGZPJMESA-N 1 3 345.531 3.006 10 0 EGAEHO CCc1ccc(C[N@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)cc1 ZINC001284558974 1379968431 /nfs/dbraw/zinc/96/84/31/1379968431.db2.gz RNLAIPMBUUWSDL-UHFFFAOYSA-N 1 3 345.531 3.014 10 0 EGAEHO CCc1ccc(C[N@@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)cc1 ZINC001284558974 1379968433 /nfs/dbraw/zinc/96/84/33/1379968433.db2.gz RNLAIPMBUUWSDL-UHFFFAOYSA-N 1 3 345.531 3.014 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084403 1388666941 /nfs/dbraw/zinc/66/69/41/1388666941.db2.gz YIIUKYQAVRTKIY-IWAYRVGRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084403 1388666943 /nfs/dbraw/zinc/66/69/43/1388666943.db2.gz YIIUKYQAVRTKIY-IWAYRVGRSA-N 1 3 335.536 3.044 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001316772880 1384571234 /nfs/dbraw/zinc/57/12/34/1384571234.db2.gz LWBZDKCGMLHEKJ-DZZUKKPASA-N 1 3 343.943 3.078 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1 ZINC001316806724 1384598999 /nfs/dbraw/zinc/59/89/99/1384598999.db2.gz MGHFTKHLHXGNCN-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CCCC1 ZINC001316806724 1384599002 /nfs/dbraw/zinc/59/90/02/1384599002.db2.gz MGHFTKHLHXGNCN-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CC/C=C\CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001316986672 1384743107 /nfs/dbraw/zinc/74/31/07/1384743107.db2.gz ROQHXEGGRGGDPS-KFONASLZSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C\CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001316986672 1384743112 /nfs/dbraw/zinc/74/31/12/1384743112.db2.gz ROQHXEGGRGGDPS-KFONASLZSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041524 1384815021 /nfs/dbraw/zinc/81/50/21/1384815021.db2.gz CMSZJCABLRUVCH-IDPBEMBBSA-N 1 3 337.552 3.099 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041524 1384815024 /nfs/dbraw/zinc/81/50/24/1384815024.db2.gz CMSZJCABLRUVCH-IDPBEMBBSA-N 1 3 337.552 3.099 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001317084969 1384847346 /nfs/dbraw/zinc/84/73/46/1384847346.db2.gz CFQODXFOSARBLO-GUDVDZBRSA-N 1 3 335.536 3.066 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001329057935 1388949585 /nfs/dbraw/zinc/94/95/85/1388949585.db2.gz XOTXAZVDYJKRFA-ROUUACIJSA-N 1 3 345.531 3.079 10 0 EGAEHO CCc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001317200160 1384975270 /nfs/dbraw/zinc/97/52/70/1384975270.db2.gz PGFYQRQYCPPSCG-HXUWFJFHSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1)N(C)C ZINC001317423495 1385130297 /nfs/dbraw/zinc/13/02/97/1385130297.db2.gz LSGQKWRDBNPUSQ-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1)N(C)C ZINC001317423495 1385130299 /nfs/dbraw/zinc/13/02/99/1385130299.db2.gz LSGQKWRDBNPUSQ-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001317430957 1385135829 /nfs/dbraw/zinc/13/58/29/1385135829.db2.gz CSHGOUMTTWBQBG-RBUKOAKNSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1 ZINC001317430957 1385135830 /nfs/dbraw/zinc/13/58/30/1385135830.db2.gz CSHGOUMTTWBQBG-RBUKOAKNSA-N 1 3 335.536 3.020 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001317934421 1385574156 /nfs/dbraw/zinc/57/41/56/1385574156.db2.gz XSHKXKZAXWLFHA-MGBKSAOESA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001317934421 1385574161 /nfs/dbraw/zinc/57/41/61/1385574161.db2.gz XSHKXKZAXWLFHA-MGBKSAOESA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001318982846 1385908909 /nfs/dbraw/zinc/90/89/09/1385908909.db2.gz BOSUQCNQKDEFOP-MXVIHJGJSA-N 1 3 343.515 3.345 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001319633097 1386221029 /nfs/dbraw/zinc/22/10/29/1386221029.db2.gz DPQBSDOVHYORPT-MJGOQNOKSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cs1 ZINC001319735409 1386274160 /nfs/dbraw/zinc/27/41/60/1386274160.db2.gz FHRRRRHFSQJHJK-MSOLQXFVSA-N 1 3 349.544 3.012 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001698638796 1406285709 /nfs/dbraw/zinc/28/57/09/1406285709.db2.gz KMFDJUANXOGQBQ-IBGZPJMESA-N 1 3 343.515 3.034 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163876 1386542871 /nfs/dbraw/zinc/54/28/71/1386542871.db2.gz KIIGWLFWVKECDZ-RTBURBONSA-N 1 3 349.563 3.339 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001321662763 1386952200 /nfs/dbraw/zinc/95/22/00/1386952200.db2.gz JLXOGXGUNIPUMZ-APWZRJJASA-N 1 3 349.494 3.013 10 0 EGAEHO Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001322542865 1387203708 /nfs/dbraw/zinc/20/37/08/1387203708.db2.gz GEAMHNYTJYCGAU-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001332722715 1390168928 /nfs/dbraw/zinc/16/89/28/1390168928.db2.gz KDCKIULVSKVWQS-UHFFFAOYSA-N 1 3 345.531 3.006 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001333457732 1390308381 /nfs/dbraw/zinc/30/83/81/1390308381.db2.gz MEDMWNUHDWAPSX-QZTJIDSGSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001333457732 1390308386 /nfs/dbraw/zinc/30/83/86/1390308386.db2.gz MEDMWNUHDWAPSX-QZTJIDSGSA-N 1 3 347.547 3.188 10 0 EGAEHO CC1CCN([C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC001349473339 1391333843 /nfs/dbraw/zinc/33/38/43/1391333843.db2.gz MGXRXXASLLFEJT-XUVXKRRUSA-N 1 3 343.515 3.093 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001479328089 1392215606 /nfs/dbraw/zinc/21/56/06/1392215606.db2.gz LIEABWRZTWTKMM-GPXQEHKYSA-N 1 3 335.536 3.090 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001479693583 1392324239 /nfs/dbraw/zinc/32/42/39/1392324239.db2.gz ZYZXLUQAPZUJFZ-RTBURBONSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001479695481 1392326172 /nfs/dbraw/zinc/32/61/72/1392326172.db2.gz LYBZBXHOYIHFCG-GOSISDBHSA-N 1 3 325.541 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C)N(CC)CC ZINC001479719176 1392335946 /nfs/dbraw/zinc/33/59/46/1392335946.db2.gz ZUEXGJKVMMTOIL-NEWSRXKRSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C)N(CC)CC ZINC001479719176 1392335952 /nfs/dbraw/zinc/33/59/52/1392335952.db2.gz ZUEXGJKVMMTOIL-NEWSRXKRSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001479744028 1392358080 /nfs/dbraw/zinc/35/80/80/1392358080.db2.gz BZNVSQOBVQWMBZ-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1)N(C)C ZINC001479744028 1392358083 /nfs/dbraw/zinc/35/80/83/1392358083.db2.gz BZNVSQOBVQWMBZ-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001480066611 1392558851 /nfs/dbraw/zinc/55/88/51/1392558851.db2.gz PTRXIHZDCYUXIV-YLJYHZDGSA-N 1 3 345.531 3.189 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266169 1392650445 /nfs/dbraw/zinc/65/04/45/1392650445.db2.gz QEQCAVRLZDYRRT-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266169 1392650446 /nfs/dbraw/zinc/65/04/46/1392650446.db2.gz QEQCAVRLZDYRRT-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)N(C)C ZINC001480365362 1392708992 /nfs/dbraw/zinc/70/89/92/1392708992.db2.gz DJQLUTOESGQIDC-PMACEKPBSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378245 1392721291 /nfs/dbraw/zinc/72/12/91/1392721291.db2.gz APHQQANACIQQHJ-ZBKUBXTQSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001480378245 1392721292 /nfs/dbraw/zinc/72/12/92/1392721292.db2.gz APHQQANACIQQHJ-ZBKUBXTQSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)N(CC)CC ZINC001481383421 1394221856 /nfs/dbraw/zinc/22/18/56/1394221856.db2.gz DOYVFDCSQCCRGQ-KSZLIROESA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)N(CC)CC ZINC001481383421 1394221859 /nfs/dbraw/zinc/22/18/59/1394221859.db2.gz DOYVFDCSQCCRGQ-KSZLIROESA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001481693340 1394454503 /nfs/dbraw/zinc/45/45/03/1394454503.db2.gz MNJIZNWPXPFLMF-VQTJNVASSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001481838482 1394552896 /nfs/dbraw/zinc/55/28/96/1394552896.db2.gz CHSZXVINERWYIY-LJQANCHMSA-N 1 3 345.531 3.162 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001482070317 1394733235 /nfs/dbraw/zinc/73/32/35/1394733235.db2.gz OOZLSKYBFIPGFH-ZMBJWTFHSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001482070317 1394733240 /nfs/dbraw/zinc/73/32/40/1394733240.db2.gz OOZLSKYBFIPGFH-ZMBJWTFHSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCCC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001484139996 1395277102 /nfs/dbraw/zinc/27/71/02/1395277102.db2.gz ISDFCKIJISGCSP-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001485230100 1395724352 /nfs/dbraw/zinc/72/43/52/1395724352.db2.gz PXBPOKZOUIOGCV-HZPDHXFCSA-N 1 3 331.504 3.035 10 0 EGAEHO CCCCC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485239613 1395732892 /nfs/dbraw/zinc/73/28/92/1395732892.db2.gz UUHWVOSFRLNEAC-ABHNRTSZSA-N 1 3 325.541 3.122 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001698997170 1406797601 /nfs/dbraw/zinc/79/76/01/1406797601.db2.gz SRALIPZZBFPVPB-MJGOQNOKSA-N 1 3 345.531 3.096 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001698997170 1406797607 /nfs/dbraw/zinc/79/76/07/1406797607.db2.gz SRALIPZZBFPVPB-MJGOQNOKSA-N 1 3 345.531 3.096 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001503290530 1396250019 /nfs/dbraw/zinc/25/00/19/1396250019.db2.gz CYVMJSZYVOMXLB-GRDNDAEWSA-N 1 3 339.911 3.226 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](C(C)C)C1 ZINC001689149532 1396949385 /nfs/dbraw/zinc/94/93/85/1396949385.db2.gz BUDVSULQZJZMFY-MUGJNUQGSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](C(C)C)C1 ZINC001689149532 1396949386 /nfs/dbraw/zinc/94/93/86/1396949386.db2.gz BUDVSULQZJZMFY-MUGJNUQGSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC(CC)CC)CC(C)(C)C1 ZINC001689365283 1403705291 /nfs/dbraw/zinc/70/52/91/1403705291.db2.gz CFZQOPHRGIMQRO-GOSISDBHSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC(CC)CC)CC(C)(C)C1 ZINC001689365283 1403705294 /nfs/dbraw/zinc/70/52/94/1403705294.db2.gz CFZQOPHRGIMQRO-GOSISDBHSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168339 1404366758 /nfs/dbraw/zinc/36/67/58/1404366758.db2.gz COUCKZYQGDIRDI-APWZRJJASA-N 1 3 349.563 3.029 10 0 EGAEHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001690356314 1404491097 /nfs/dbraw/zinc/49/10/97/1404491097.db2.gz DEOVAJAVFNMJEL-KDURUIRLSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691075275 1405008715 /nfs/dbraw/zinc/00/87/15/1405008715.db2.gz QWBWFFUSWZJGBU-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691075275 1405008722 /nfs/dbraw/zinc/00/87/22/1405008722.db2.gz QWBWFFUSWZJGBU-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001691225615 1405165371 /nfs/dbraw/zinc/16/53/71/1405165371.db2.gz CGLHJJSNICPEPV-OTWHNJEPSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001691402549 1405239797 /nfs/dbraw/zinc/23/97/97/1405239797.db2.gz NBWQABXWVJYYTG-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001691402549 1405239801 /nfs/dbraw/zinc/23/98/01/1405239801.db2.gz NBWQABXWVJYYTG-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]C/C=C\Cl ZINC001691411839 1405250719 /nfs/dbraw/zinc/25/07/19/1405250719.db2.gz YEGDJDVDRRIRFX-GJWDQICYSA-N 1 3 343.943 3.076 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001691629854 1405367717 /nfs/dbraw/zinc/36/77/17/1405367717.db2.gz XIAOEBXTGLCNHJ-VANUVFSVSA-N 1 3 337.552 3.434 10 0 EGAEHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001691793926 1405503979 /nfs/dbraw/zinc/50/39/79/1405503979.db2.gz IGZBQDBNCHWAMB-HKUYNNGSSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001691793926 1405503981 /nfs/dbraw/zinc/50/39/81/1405503981.db2.gz IGZBQDBNCHWAMB-HKUYNNGSSA-N 1 3 337.552 3.077 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812813 1405525492 /nfs/dbraw/zinc/52/54/92/1405525492.db2.gz DEQYSNUFJXHRAR-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812813 1405525497 /nfs/dbraw/zinc/52/54/97/1405525497.db2.gz DEQYSNUFJXHRAR-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691817801 1405532147 /nfs/dbraw/zinc/53/21/47/1405532147.db2.gz HVDPJZCMEPYTRW-UFYCRDLUSA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692129421 1405787621 /nfs/dbraw/zinc/78/76/21/1405787621.db2.gz UEJWAMOEZAFPLV-NYQZOWANSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCCC(C)(C)C ZINC001692179668 1405824931 /nfs/dbraw/zinc/82/49/31/1405824931.db2.gz ZMPZJQZLLWCMOF-SJORKVTESA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCCC(C)(C)C ZINC001692179668 1405824936 /nfs/dbraw/zinc/82/49/36/1405824936.db2.gz ZMPZJQZLLWCMOF-SJORKVTESA-N 1 3 335.536 3.020 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001732060941 1428309557 /nfs/dbraw/zinc/30/95/57/1428309557.db2.gz JGRWZAVESFKLAY-DSQZMVHQSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001732060941 1428309558 /nfs/dbraw/zinc/30/95/58/1428309558.db2.gz JGRWZAVESFKLAY-DSQZMVHQSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001732280466 1428512460 /nfs/dbraw/zinc/51/24/60/1428512460.db2.gz XANUISRRSHDJOL-GOSISDBHSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280687 1428512588 /nfs/dbraw/zinc/51/25/88/1428512588.db2.gz LOFIVMAKMNLBEA-NQIIRXRSSA-N 1 3 349.563 3.170 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001732313472 1428525477 /nfs/dbraw/zinc/52/54/77/1428525477.db2.gz UDIXGKLKGKRLEC-IHPCNDPISA-N 1 3 345.531 3.413 10 0 EGAEHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001732449826 1428586397 /nfs/dbraw/zinc/58/63/97/1428586397.db2.gz UFYWWYMGVBQVRY-GOSISDBHSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141356 1412531959 /nfs/dbraw/zinc/53/19/59/1412531959.db2.gz UVAADUDZUYPNQI-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001699227010 1412588065 /nfs/dbraw/zinc/58/80/65/1412588065.db2.gz JGGYOQYVMLQZJX-GOSISDBHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001699606892 1412970568 /nfs/dbraw/zinc/97/05/68/1412970568.db2.gz OPZXDQUFXHOSOC-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001699741977 1413152924 /nfs/dbraw/zinc/15/29/24/1413152924.db2.gz DOPMTYNQZCHAAT-APWZRJJASA-N 1 3 331.504 3.131 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805341 1413219112 /nfs/dbraw/zinc/21/91/12/1413219112.db2.gz QROQZFYCRFTLKU-YADGQWAMSA-N 1 3 344.503 3.013 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805341 1413219116 /nfs/dbraw/zinc/21/91/16/1413219116.db2.gz QROQZFYCRFTLKU-YADGQWAMSA-N 1 3 344.503 3.013 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCCCC2)C1 ZINC001699879420 1413343684 /nfs/dbraw/zinc/34/36/84/1413343684.db2.gz OLYSWWUEHFZLSJ-FQEVSTJZSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCCC2)C1 ZINC001699879420 1413343690 /nfs/dbraw/zinc/34/36/90/1413343690.db2.gz OLYSWWUEHFZLSJ-FQEVSTJZSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001699933404 1413375581 /nfs/dbraw/zinc/37/55/81/1413375581.db2.gz LITZVEKANQOFNP-HXUWFJFHSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001699991635 1413439114 /nfs/dbraw/zinc/43/91/14/1413439114.db2.gz SFPNPGWMEVABRJ-HSALFYBXSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001699991635 1413439118 /nfs/dbraw/zinc/43/91/18/1413439118.db2.gz SFPNPGWMEVABRJ-HSALFYBXSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700291354 1413743637 /nfs/dbraw/zinc/74/36/37/1413743637.db2.gz HHDGEUVQTFBTGA-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700291354 1413743640 /nfs/dbraw/zinc/74/36/40/1413743640.db2.gz HHDGEUVQTFBTGA-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2)[C@H](C)C1 ZINC001700324070 1413793133 /nfs/dbraw/zinc/79/31/33/1413793133.db2.gz RMRLHQBZUJBXIW-FFQNAWCLSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@H](C)C1 ZINC001700324070 1413793135 /nfs/dbraw/zinc/79/31/35/1413793135.db2.gz RMRLHQBZUJBXIW-FFQNAWCLSA-N 1 3 343.515 3.009 10 0 EGAEHO Cc1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700398041 1413931278 /nfs/dbraw/zinc/93/12/78/1413931278.db2.gz SQFWAXWULDWSKR-MSOLQXFVSA-N 1 3 345.531 3.242 10 0 EGAEHO CN(CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1)CC(C)(C)C ZINC001700514404 1414165321 /nfs/dbraw/zinc/16/53/21/1414165321.db2.gz QTWSLNHVBVBHMA-FLIBITNWSA-N 1 3 343.943 3.126 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001700537571 1414205148 /nfs/dbraw/zinc/20/51/48/1414205148.db2.gz FCXDOXYOTUYZOF-KRWDZBQOSA-N 1 3 347.547 3.188 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC001700644091 1414309648 /nfs/dbraw/zinc/30/96/48/1414309648.db2.gz QBORXNJIZSQVHM-QRFRQXIXSA-N 1 3 345.531 3.135 10 0 EGAEHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905739 1414560883 /nfs/dbraw/zinc/56/08/83/1414560883.db2.gz VGHQUOZGTYQUNS-QZTJIDSGSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001700926007 1414579398 /nfs/dbraw/zinc/57/93/98/1414579398.db2.gz JCVGTJAUXWZYQK-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)CC=C(C)C)C(C)C)C1 ZINC001700972867 1414600817 /nfs/dbraw/zinc/60/08/17/1414600817.db2.gz XDSSDJBEVIDSCI-LJQANCHMSA-N 1 3 337.552 3.243 10 0 EGAEHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)CC=C(C)C)C(C)C)C1 ZINC001700972867 1414600822 /nfs/dbraw/zinc/60/08/22/1414600822.db2.gz XDSSDJBEVIDSCI-LJQANCHMSA-N 1 3 337.552 3.243 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001700979534 1414618831 /nfs/dbraw/zinc/61/88/31/1414618831.db2.gz DFNPIDKJFRAZIB-UHFFFAOYSA-N 1 3 345.531 3.497 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001700996103 1414644545 /nfs/dbraw/zinc/64/45/45/1414644545.db2.gz NCXKHRIJIBDUEO-JBILIXEDSA-N 1 3 343.943 3.122 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001701013442 1414675395 /nfs/dbraw/zinc/67/53/95/1414675395.db2.gz KVGZOBOBOPLUST-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCC[NH+]1CCC(C2(NC(=O)Cc3nc[nH]c3C)CC2)CC1 ZINC001701032921 1414697544 /nfs/dbraw/zinc/69/75/44/1414697544.db2.gz RCZPDAMEERRKFY-UHFFFAOYSA-N 1 3 346.519 3.202 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001732608138 1428866128 /nfs/dbraw/zinc/86/61/28/1428866128.db2.gz PPOGOSDATLFBNB-WOJBJXKFSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC=C(C)C)C1 ZINC001732608138 1428866131 /nfs/dbraw/zinc/86/61/31/1428866131.db2.gz PPOGOSDATLFBNB-WOJBJXKFSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001732895895 1429033542 /nfs/dbraw/zinc/03/35/42/1429033542.db2.gz WGXMRTJCDOKZQE-JZIMQPMSSA-N 1 3 349.906 3.005 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001707069942 1417182577 /nfs/dbraw/zinc/18/25/77/1417182577.db2.gz BOBDNGLATCBNIP-CEXWTWQISA-N 1 3 349.563 3.027 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197373 1417240782 /nfs/dbraw/zinc/24/07/82/1417240782.db2.gz JXILXRLKDIRUOH-QHEKZVFSSA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197373 1417240783 /nfs/dbraw/zinc/24/07/83/1417240783.db2.gz JXILXRLKDIRUOH-QHEKZVFSSA-N 1 3 349.563 3.432 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045817 1429178465 /nfs/dbraw/zinc/17/84/65/1429178465.db2.gz SEAJTBSDGBHURB-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045817 1429178469 /nfs/dbraw/zinc/17/84/69/1429178469.db2.gz SEAJTBSDGBHURB-ROUUACIJSA-N 1 3 345.531 3.285 10 0 EGAEHO CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccsc1 ZINC001712952245 1417509870 /nfs/dbraw/zinc/50/98/70/1417509870.db2.gz JNZIIFYOMPRDFH-SFHVURJKSA-N 1 3 349.544 3.093 10 0 EGAEHO CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccsc1 ZINC001712952245 1417509874 /nfs/dbraw/zinc/50/98/74/1417509874.db2.gz JNZIIFYOMPRDFH-SFHVURJKSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382159 1417992596 /nfs/dbraw/zinc/99/25/96/1417992596.db2.gz OLRDUEHKXZOSBI-DLBZAZTESA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001713400728 1418022265 /nfs/dbraw/zinc/02/22/65/1418022265.db2.gz KAIXQVCPQSZRJI-VQIMIIECSA-N 1 3 349.494 3.150 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001713400728 1418022267 /nfs/dbraw/zinc/02/22/67/1418022267.db2.gz KAIXQVCPQSZRJI-VQIMIIECSA-N 1 3 349.494 3.150 10 0 EGAEHO CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713677651 1418429707 /nfs/dbraw/zinc/42/97/07/1418429707.db2.gz QACSDJAFQYUSQS-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC1CCCC1)C(C)C ZINC001713695376 1418449287 /nfs/dbraw/zinc/44/92/87/1418449287.db2.gz SPZIUPGGNXJMEG-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC1CCCC1)C(C)C ZINC001713695376 1418449289 /nfs/dbraw/zinc/44/92/89/1418449289.db2.gz SPZIUPGGNXJMEG-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697609 1418452761 /nfs/dbraw/zinc/45/27/61/1418452761.db2.gz ICPIDUUTQPDOEM-FXAWDEMLSA-N 1 3 345.531 3.307 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001713988905 1418766855 /nfs/dbraw/zinc/76/68/55/1418766855.db2.gz KKQRGDAGNDEDLX-KURKYZTESA-N 1 3 343.515 3.086 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154205 1418962487 /nfs/dbraw/zinc/96/24/87/1418962487.db2.gz RADWBMVFKOGBFZ-ROUUACIJSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154205 1418962488 /nfs/dbraw/zinc/96/24/88/1418962488.db2.gz RADWBMVFKOGBFZ-ROUUACIJSA-N 1 3 339.568 3.227 10 0 EGAEHO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001714166138 1418975379 /nfs/dbraw/zinc/97/53/79/1418975379.db2.gz FDCUGBVFJCFYHK-GAAPFBLASA-N 1 3 347.547 3.044 10 0 EGAEHO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001714166138 1418975381 /nfs/dbraw/zinc/97/53/81/1418975381.db2.gz FDCUGBVFJCFYHK-GAAPFBLASA-N 1 3 347.547 3.044 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001714194762 1419000416 /nfs/dbraw/zinc/00/04/16/1419000416.db2.gz OCKTZZRDQRFJMF-KKXNLOMOSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714401034 1419144094 /nfs/dbraw/zinc/14/40/94/1419144094.db2.gz HYBWJJAPFSTFTO-QZTJIDSGSA-N 1 3 337.552 3.458 10 0 EGAEHO CCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714401035 1419144215 /nfs/dbraw/zinc/14/42/15/1419144215.db2.gz HYBWJJAPFSTFTO-ROUUACIJSA-N 1 3 337.552 3.458 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CCCC(C)(C)C ZINC001714433252 1419165872 /nfs/dbraw/zinc/16/58/72/1419165872.db2.gz BDKWSKCVOPXOHD-ROUUACIJSA-N 1 3 339.568 3.419 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C)N1CCCCCC1 ZINC001714433251 1419166119 /nfs/dbraw/zinc/16/61/19/1419166119.db2.gz BDKWSKCVOPXOHD-QZTJIDSGSA-N 1 3 339.568 3.419 10 0 EGAEHO CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001714455141 1419187817 /nfs/dbraw/zinc/18/78/17/1419187817.db2.gz UWGALUFTCZZSHP-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001714455141 1419187818 /nfs/dbraw/zinc/18/78/18/1419187818.db2.gz UWGALUFTCZZSHP-FQEVSTJZSA-N 1 3 345.531 3.475 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001715007768 1419736882 /nfs/dbraw/zinc/73/68/82/1419736882.db2.gz CWVVTWKQJDLDLV-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001715062085 1419800462 /nfs/dbraw/zinc/80/04/62/1419800462.db2.gz GFZZIGJNRCMPKL-MSOLQXFVSA-N 1 3 345.531 3.333 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001715191424 1419923667 /nfs/dbraw/zinc/92/36/67/1419923667.db2.gz OGJALTHEPCFBNC-SNRMKQJTSA-N 1 3 349.494 3.244 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001715210415 1419943609 /nfs/dbraw/zinc/94/36/09/1419943609.db2.gz ODKCUFIHZXIXQA-QZTJIDSGSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001715365044 1420062266 /nfs/dbraw/zinc/06/22/66/1420062266.db2.gz REFNZOPWAQTBCN-VQIMIIECSA-N 1 3 343.531 3.072 10 0 EGAEHO CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001715464165 1420143243 /nfs/dbraw/zinc/14/32/43/1420143243.db2.gz VIYKSGRVVXKEPL-PXNSSMCTSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CCCC1 ZINC001715496244 1420177511 /nfs/dbraw/zinc/17/75/11/1420177511.db2.gz QTGFUDAJNXVVLW-GOSISDBHSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1)c1ccc(Cl)cc1 ZINC001733251819 1429400352 /nfs/dbraw/zinc/40/03/52/1429400352.db2.gz YJYUQOARJJSABH-AWEZNQCLSA-N 1 3 349.906 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001715978095 1420438121 /nfs/dbraw/zinc/43/81/21/1420438121.db2.gz VIIJYZDLXCXVOB-FJUFFASXSA-N 1 3 343.515 3.057 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1)N(C)C ZINC001715981388 1420440047 /nfs/dbraw/zinc/44/00/47/1420440047.db2.gz VVWBRHCLQSCLDC-RRQGHBQHSA-N 1 3 339.911 3.226 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042616 1420505274 /nfs/dbraw/zinc/50/52/74/1420505274.db2.gz RANVQFDAXLHDLM-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001716042616 1420505277 /nfs/dbraw/zinc/50/52/77/1420505277.db2.gz RANVQFDAXLHDLM-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CCN(CCNCc1ccsc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716221273 1420570946 /nfs/dbraw/zinc/57/09/46/1420570946.db2.gz RDWGJDLDHAYMPP-SFHVURJKSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN(CCNCc1ccsc1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001716221273 1420570948 /nfs/dbraw/zinc/57/09/48/1420570948.db2.gz RDWGJDLDHAYMPP-SFHVURJKSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001716465591 1420678105 /nfs/dbraw/zinc/67/81/05/1420678105.db2.gz DAQAKQCVBJYOBI-WMZOPIPTSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001716477314 1420692878 /nfs/dbraw/zinc/69/28/78/1420692878.db2.gz FKFYTTJFEKDYDM-YBGNTVOFSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1 ZINC001716477314 1420692879 /nfs/dbraw/zinc/69/28/79/1420692879.db2.gz FKFYTTJFEKDYDM-YBGNTVOFSA-N 1 3 343.515 3.009 10 0 EGAEHO C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC001716507705 1420739550 /nfs/dbraw/zinc/73/95/50/1420739550.db2.gz GGBZQJADEYTQTD-INIZCTEOSA-N 1 3 333.520 3.235 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC001716507705 1420739553 /nfs/dbraw/zinc/73/95/53/1420739553.db2.gz GGBZQJADEYTQTD-INIZCTEOSA-N 1 3 333.520 3.235 10 0 EGAEHO O=C(CCC[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001716721648 1420878917 /nfs/dbraw/zinc/87/89/17/1420878917.db2.gz SHEDCAPXJBPOOC-BGYRXZFFSA-N 1 3 347.547 3.118 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001716898305 1421026665 /nfs/dbraw/zinc/02/66/65/1421026665.db2.gz SOMWURPBTBEYTQ-FQEVSTJZSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001716898305 1421026667 /nfs/dbraw/zinc/02/66/67/1421026667.db2.gz SOMWURPBTBEYTQ-FQEVSTJZSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001716972341 1421057741 /nfs/dbraw/zinc/05/77/41/1421057741.db2.gz ZOCPUSDDIGAKDR-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001717111181 1421114947 /nfs/dbraw/zinc/11/49/47/1421114947.db2.gz NHFQFOYGZMZOSP-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[N@H+](C)CC2CCCC2)c1 ZINC001717215298 1421192559 /nfs/dbraw/zinc/19/25/59/1421192559.db2.gz FHBAUEMVAKNXBQ-UHFFFAOYSA-N 1 3 345.531 3.332 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[N@@H+](C)CC2CCCC2)c1 ZINC001717215298 1421192560 /nfs/dbraw/zinc/19/25/60/1421192560.db2.gz FHBAUEMVAKNXBQ-UHFFFAOYSA-N 1 3 345.531 3.332 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CCCCC2)CCC1 ZINC001717367909 1421304085 /nfs/dbraw/zinc/30/40/85/1421304085.db2.gz TYLWTOFIMHLKRX-LJQANCHMSA-N 1 3 349.563 3.364 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CCCCC2)CCC1 ZINC001717367909 1421304091 /nfs/dbraw/zinc/30/40/91/1421304091.db2.gz TYLWTOFIMHLKRX-LJQANCHMSA-N 1 3 349.563 3.364 10 0 EGAEHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)c(C)c1 ZINC001717375912 1421317187 /nfs/dbraw/zinc/31/71/87/1421317187.db2.gz GHSONBIVCNXFCT-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)c(C)c1 ZINC001717375912 1421317191 /nfs/dbraw/zinc/31/71/91/1421317191.db2.gz GHSONBIVCNXFCT-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001717409577 1421342077 /nfs/dbraw/zinc/34/20/77/1421342077.db2.gz FJWBTYUZDGMNNM-IRXDYDNUSA-N 1 3 335.536 3.234 10 0 EGAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001717412322 1421344196 /nfs/dbraw/zinc/34/41/96/1421344196.db2.gz DYGKQBZIDOKRLW-JKSUJKDBSA-N 1 3 343.515 3.031 10 0 EGAEHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001717625804 1421534599 /nfs/dbraw/zinc/53/45/99/1421534599.db2.gz VEXWPZNESISSLX-OTWHNJEPSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001717625804 1421534602 /nfs/dbraw/zinc/53/46/02/1421534602.db2.gz VEXWPZNESISSLX-OTWHNJEPSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccsc1 ZINC001717757820 1421620930 /nfs/dbraw/zinc/62/09/30/1421620930.db2.gz RCMQRAPGJCYRMK-OAHLLOKOSA-N 1 3 345.512 3.060 10 0 EGAEHO CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001717964887 1421736516 /nfs/dbraw/zinc/73/65/16/1421736516.db2.gz GHLHOLQUWIATMR-ZWKOTPCHSA-N 1 3 337.552 3.314 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606963 1424486219 /nfs/dbraw/zinc/48/62/19/1424486219.db2.gz JABAYYPEQVDDND-XOUUWWQPSA-N 1 3 349.563 3.386 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606963 1424486225 /nfs/dbraw/zinc/48/62/25/1424486225.db2.gz JABAYYPEQVDDND-XOUUWWQPSA-N 1 3 349.563 3.386 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606962 1424486681 /nfs/dbraw/zinc/48/66/81/1424486681.db2.gz JABAYYPEQVDDND-SLVIYJBESA-N 1 3 349.563 3.386 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606962 1424486683 /nfs/dbraw/zinc/48/66/83/1424486683.db2.gz JABAYYPEQVDDND-SLVIYJBESA-N 1 3 349.563 3.386 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001724900976 1425296654 /nfs/dbraw/zinc/29/66/54/1425296654.db2.gz WKTFQKAFPHBJCB-FQEVSTJZSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001724900976 1425296658 /nfs/dbraw/zinc/29/66/58/1425296658.db2.gz WKTFQKAFPHBJCB-FQEVSTJZSA-N 1 3 349.563 3.366 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001725420490 1426068750 /nfs/dbraw/zinc/06/87/50/1426068750.db2.gz VVDFTDHDFWOLOJ-APWZRJJASA-N 1 3 345.531 3.020 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684636 1426372197 /nfs/dbraw/zinc/37/21/97/1426372197.db2.gz RPMRZQVXFFFUTK-MAUKXSAKSA-N 1 3 349.494 3.054 10 0 EGAEHO CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001731536460 1427534885 /nfs/dbraw/zinc/53/48/85/1427534885.db2.gz AHHQJPPVOOLSHL-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001731536460 1427534888 /nfs/dbraw/zinc/53/48/88/1427534888.db2.gz AHHQJPPVOOLSHL-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001731679107 1427727074 /nfs/dbraw/zinc/72/70/74/1427727074.db2.gz HDRJOIKFENNXSD-IBGZPJMESA-N 1 3 345.531 3.090 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)c1 ZINC001731796280 1427949547 /nfs/dbraw/zinc/94/95/47/1427949547.db2.gz YXEPRSPXSVPDPO-RTBURBONSA-N 1 3 345.531 3.033 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847914 1428074056 /nfs/dbraw/zinc/07/40/56/1428074056.db2.gz UZOYEGKITIAJAS-QWNKOJSDSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847914 1428074060 /nfs/dbraw/zinc/07/40/60/1428074060.db2.gz UZOYEGKITIAJAS-QWNKOJSDSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](CCNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001731884597 1428158601 /nfs/dbraw/zinc/15/86/01/1428158601.db2.gz YPFJJRRODHTKRS-SFHVURJKSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](CCNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001731884597 1428158602 /nfs/dbraw/zinc/15/86/02/1428158602.db2.gz YPFJJRRODHTKRS-SFHVURJKSA-N 1 3 345.531 3.285 10 0 EGAEHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001734013831 1437804946 /nfs/dbraw/zinc/80/49/46/1437804946.db2.gz UVMFJJZMFGWXHI-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001734123740 1437903445 /nfs/dbraw/zinc/90/34/45/1437903445.db2.gz IDQAORYFQDCEHC-SJORKVTESA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001734253268 1437968726 /nfs/dbraw/zinc/96/87/26/1437968726.db2.gz URMKYPZWNWYNPK-PKOBYXMFSA-N 1 3 345.531 3.020 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+]CC1CCCCCC1 ZINC001734259976 1437975692 /nfs/dbraw/zinc/97/56/92/1437975692.db2.gz JRXDNOHEZFSIKR-OAHLLOKOSA-N 1 3 334.508 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001734637139 1438196642 /nfs/dbraw/zinc/19/66/42/1438196642.db2.gz NSDIVPUNETXGBM-MOPGFXCFSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001734637139 1438196643 /nfs/dbraw/zinc/19/66/43/1438196643.db2.gz NSDIVPUNETXGBM-MOPGFXCFSA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000415011454 309114244 /nfs/dbraw/zinc/11/42/44/309114244.db2.gz HVUNDJVTLLQRRR-AUTRQRHGSA-N 1 3 344.299 3.384 10 0 EGAEHO CCCCN1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000225808129 242045988 /nfs/dbraw/zinc/04/59/88/242045988.db2.gz XEDNBZSHQADMMQ-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCN1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000225808129 242045992 /nfs/dbraw/zinc/04/59/92/242045992.db2.gz XEDNBZSHQADMMQ-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO Cc1nc(N)cc(NCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000091625859 218034399 /nfs/dbraw/zinc/03/43/99/218034399.db2.gz QLHQQQFYDGPXSJ-UHFFFAOYSA-N 1 3 325.460 3.081 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000268704309 252154666 /nfs/dbraw/zinc/15/46/66/252154666.db2.gz HIOPWBWLQDOEBX-YZGWKJHDSA-N 1 3 341.499 3.383 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1)C(C)C ZINC000124597497 285097847 /nfs/dbraw/zinc/09/78/47/285097847.db2.gz KKDOGCRGBUCIEA-XLIONFOSSA-N 1 3 345.531 3.472 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1)C(C)C ZINC000124597497 285097852 /nfs/dbraw/zinc/09/78/52/285097852.db2.gz KKDOGCRGBUCIEA-XLIONFOSSA-N 1 3 345.531 3.472 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)o1 ZINC000353494357 292255204 /nfs/dbraw/zinc/25/52/04/292255204.db2.gz BOYVXNJVCITSCN-MANSERQUSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)o1 ZINC000353494357 292255207 /nfs/dbraw/zinc/25/52/07/292255207.db2.gz BOYVXNJVCITSCN-MANSERQUSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)N2CCCC2)o1 ZINC000353494357 292255209 /nfs/dbraw/zinc/25/52/09/292255209.db2.gz BOYVXNJVCITSCN-MANSERQUSA-N 1 3 331.504 3.187 10 0 EGAEHO CN1CC[NH+]([C@H]2CCCCN(C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000189721225 153092994 /nfs/dbraw/zinc/09/29/94/153092994.db2.gz FZTKCBJYVYBBNS-SGSXCFNPSA-N 1 3 347.934 3.455 10 0 EGAEHO NCc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035809 153891494 /nfs/dbraw/zinc/89/14/94/153891494.db2.gz VBBFPGAOEGGURI-DFBGVHRSSA-N 1 3 341.377 3.023 10 0 EGAEHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300541 156797725 /nfs/dbraw/zinc/79/77/25/156797725.db2.gz NVHPZGZCUVNRSC-JQFCIGGWSA-N 1 3 334.529 3.265 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000110871077 162137684 /nfs/dbraw/zinc/13/76/84/162137684.db2.gz MJPNSRNUHYQEPW-IBGZPJMESA-N 1 3 331.504 3.017 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110871077 162137689 /nfs/dbraw/zinc/13/76/89/162137689.db2.gz MJPNSRNUHYQEPW-IBGZPJMESA-N 1 3 331.504 3.017 10 0 EGAEHO CC[NH+](CC)CC1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000345833055 164274884 /nfs/dbraw/zinc/27/48/84/164274884.db2.gz AGBQZIRPRGYXQK-UHFFFAOYSA-N 1 3 346.384 3.254 10 0 EGAEHO CCSCC[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000355761243 166300112 /nfs/dbraw/zinc/30/01/12/166300112.db2.gz YIFKBJCNZVYJSJ-UHFFFAOYSA-N 1 3 335.561 3.240 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000250077406 266261898 /nfs/dbraw/zinc/26/18/98/266261898.db2.gz ORWRBKIUAQTITA-JBACZVJFSA-N 1 3 329.532 3.361 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000365667955 275922194 /nfs/dbraw/zinc/92/21/94/275922194.db2.gz OXWFPFYOADISMX-ICSRJNTNSA-N 1 3 333.564 3.469 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246911727 276154101 /nfs/dbraw/zinc/15/41/01/276154101.db2.gz PTZHOHFSZICJIR-LZLYRXPVSA-N 1 3 349.544 3.122 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246911727 276154102 /nfs/dbraw/zinc/15/41/02/276154102.db2.gz PTZHOHFSZICJIR-LZLYRXPVSA-N 1 3 349.544 3.122 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653766 276199403 /nfs/dbraw/zinc/19/94/03/276199403.db2.gz RNFOJZKSNBLTGU-CRAIPNDOSA-N 1 3 349.494 3.044 10 0 EGAEHO OC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414295041 309071057 /nfs/dbraw/zinc/07/10/57/309071057.db2.gz CYAIVDVTGCMQMY-PMACEKPBSA-N 1 3 328.500 3.182 10 0 EGAEHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414305067 309071894 /nfs/dbraw/zinc/07/18/94/309071894.db2.gz NAIDRWITZCIOBD-VQTJNVASSA-N 1 3 330.516 3.428 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H](CO)[C@H]2CCCOC2)CC1 ZINC000414555094 309088864 /nfs/dbraw/zinc/08/88/64/309088864.db2.gz LYNXEIUVTWXXFI-FUHWJXTLSA-N 1 3 340.552 3.043 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H](CO)[C@H]2CCCOC2)CC1 ZINC000414555094 309088865 /nfs/dbraw/zinc/08/88/65/309088865.db2.gz LYNXEIUVTWXXFI-FUHWJXTLSA-N 1 3 340.552 3.043 10 0 EGAEHO C[N@H+]1CC=C(CN[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295409860 308324063 /nfs/dbraw/zinc/32/40/63/308324063.db2.gz MZHZQTGWKFJWAQ-HNNXBMFYSA-N 1 3 339.252 3.427 10 0 EGAEHO C[N@@H+]1CC=C(CN[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295409860 308324065 /nfs/dbraw/zinc/32/40/65/308324065.db2.gz MZHZQTGWKFJWAQ-HNNXBMFYSA-N 1 3 339.252 3.427 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414817797 309103527 /nfs/dbraw/zinc/10/35/27/309103527.db2.gz BSSWOKREZWDFQG-UMVBOHGHSA-N 1 3 325.294 3.358 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000415950733 309150930 /nfs/dbraw/zinc/15/09/30/309150930.db2.gz HTVXRBZKIUSVOV-UHFFFAOYSA-N 1 3 332.492 3.134 10 0 EGAEHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416022377 309154978 /nfs/dbraw/zinc/15/49/78/309154978.db2.gz YYLKUPPDSHMDBC-DYVFJYSZSA-N 1 3 342.443 3.134 10 0 EGAEHO c1csc(-c2noc(CCCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000420394423 309286186 /nfs/dbraw/zinc/28/61/86/309286186.db2.gz KMDKNLCBOXIWKU-LSDHHAIUSA-N 1 3 346.500 3.195 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000422757154 309366896 /nfs/dbraw/zinc/36/68/96/309366896.db2.gz IFFPXAYFENPQFO-JKSUJKDBSA-N 1 3 327.472 3.352 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962854 309378504 /nfs/dbraw/zinc/37/85/04/309378504.db2.gz GUCAPALDLNOOQL-UZLBHIALSA-N 1 3 332.536 3.400 10 0 EGAEHO CC(C)N1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423042871 309382597 /nfs/dbraw/zinc/38/25/97/309382597.db2.gz MMPZKMVNQZTJTI-DSIZOQBWSA-N 1 3 325.447 3.204 10 0 EGAEHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423199810 309390184 /nfs/dbraw/zinc/39/01/84/309390184.db2.gz KPXFLBQNYKSDBD-OAHLLOKOSA-N 1 3 333.476 3.054 10 0 EGAEHO Cc1c([C@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257003 309392621 /nfs/dbraw/zinc/39/26/21/309392621.db2.gz HAKVZLFVUWGHDY-DZGCQCFKSA-N 1 3 347.894 3.269 10 0 EGAEHO C[NH+](C)CCOCCN[C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000447598121 309983804 /nfs/dbraw/zinc/98/38/04/309983804.db2.gz UMDGEIUPMXFJHM-IBGZPJMESA-N 1 3 347.890 3.187 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)CC(C)(C)C)CC1 ZINC000449147863 310040403 /nfs/dbraw/zinc/04/04/03/310040403.db2.gz IHQRQUGGNUFSII-YLJYHZDGSA-N 1 3 332.532 3.469 10 0 EGAEHO COC[C@H]1CCCN(CC(C)C[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452107914 310212704 /nfs/dbraw/zinc/21/27/04/310212704.db2.gz TWFDRLROTULFBX-PMACEKPBSA-N 1 3 340.552 3.120 10 0 EGAEHO COC[C@H]1CCCN(CC(C)C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452107914 310212705 /nfs/dbraw/zinc/21/27/05/310212705.db2.gz TWFDRLROTULFBX-PMACEKPBSA-N 1 3 340.552 3.120 10 0 EGAEHO C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000453304457 310270040 /nfs/dbraw/zinc/27/00/40/310270040.db2.gz GHLVTIABYRAEAE-INIZCTEOSA-N 1 3 338.467 3.044 10 0 EGAEHO C[C@H]([NH2+]CC1(CF)CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000453316404 310270749 /nfs/dbraw/zinc/27/07/49/310270749.db2.gz WJYHWZMNHDWADR-INIZCTEOSA-N 1 3 338.467 3.044 10 0 EGAEHO CC[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)N1CCc2ccccc2C1 ZINC000514096584 312224785 /nfs/dbraw/zinc/22/47/85/312224785.db2.gz XBRNKNHNKCHSSI-GXRSIYKFSA-N 1 3 341.543 3.286 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530208637 313496723 /nfs/dbraw/zinc/49/67/23/313496723.db2.gz GIRLMBHDFCXUSZ-NDYZWRROSA-N 1 3 327.859 3.491 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)[C@H]2CCC[C@H]21 ZINC000552046658 315193263 /nfs/dbraw/zinc/19/32/63/315193263.db2.gz NPLUJWODINLAME-OJAHFUOMSA-N 1 3 347.572 3.423 10 0 EGAEHO CCC[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000563725803 316062237 /nfs/dbraw/zinc/06/22/37/316062237.db2.gz RDELVNJGGQMBAV-LJQANCHMSA-N 1 3 335.536 3.068 10 0 EGAEHO [NH3+]Cc1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000563811558 316072833 /nfs/dbraw/zinc/07/28/33/316072833.db2.gz AGYHAGLOYDEUAO-FQEVSTJZSA-N 1 3 332.451 3.498 10 0 EGAEHO CC1=C[C@H](C)C[C@H](CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000565781735 316369375 /nfs/dbraw/zinc/36/93/75/316369375.db2.gz ZCOPKEGNBNOFPE-WJMWBRGCSA-N 1 3 333.564 3.469 10 0 EGAEHO CC1=C[C@H](C)C[C@H](CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000565781735 316369380 /nfs/dbraw/zinc/36/93/80/316369380.db2.gz ZCOPKEGNBNOFPE-WJMWBRGCSA-N 1 3 333.564 3.469 10 0 EGAEHO C[NH+](C)CCCCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000270010845 455857138 /nfs/dbraw/zinc/85/71/38/455857138.db2.gz UKCCVGFXKFKFAX-UHFFFAOYSA-N 1 3 342.274 3.006 10 0 EGAEHO C[C@H]1CN(CCCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000178619783 323359216 /nfs/dbraw/zinc/35/92/16/323359216.db2.gz FRPHPJPBMGLUIV-IRXDYDNUSA-N 1 3 342.487 3.056 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000379767031 324241457 /nfs/dbraw/zinc/24/14/57/324241457.db2.gz JERMVCMLJNOZKS-XIYVOTBMSA-N 1 3 328.500 3.444 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000579730828 325152124 /nfs/dbraw/zinc/15/21/24/325152124.db2.gz WHNSHPBGTQBYKI-GOSISDBHSA-N 1 3 343.515 3.021 10 0 EGAEHO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000241287483 455266703 /nfs/dbraw/zinc/26/67/03/455266703.db2.gz LLULCWNESNCMDO-GVXVVHGQSA-N 1 3 329.257 3.188 10 0 EGAEHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCCO2 ZINC000132976051 454383112 /nfs/dbraw/zinc/38/31/12/454383112.db2.gz VUXKFADSWIIPBD-PXNSSMCTSA-N 1 3 344.499 3.299 10 0 EGAEHO CC[N@@H+]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)[C@H](C)C1 ZINC000097095639 454405350 /nfs/dbraw/zinc/40/53/50/454405350.db2.gz XEUIBHBBSPOBQM-YLJYHZDGSA-N 1 3 345.531 3.033 10 0 EGAEHO CC[N@H+]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)[C@H](C)C1 ZINC000097095639 454405354 /nfs/dbraw/zinc/40/53/54/454405354.db2.gz XEUIBHBBSPOBQM-YLJYHZDGSA-N 1 3 345.531 3.033 10 0 EGAEHO C[C@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133222 454826921 /nfs/dbraw/zinc/82/69/21/454826921.db2.gz IUDFPGSLURNEHB-LAUBAEHRSA-N 1 3 339.483 3.178 10 0 EGAEHO C[C@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133222 454826922 /nfs/dbraw/zinc/82/69/22/454826922.db2.gz IUDFPGSLURNEHB-LAUBAEHRSA-N 1 3 339.483 3.178 10 0 EGAEHO COCCOc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126530820 454900698 /nfs/dbraw/zinc/90/06/98/454900698.db2.gz HNQADLWQGAAETI-BPIHKTFHSA-N 1 3 332.488 3.378 10 0 EGAEHO COCCOc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126530820 454900700 /nfs/dbraw/zinc/90/07/00/454900700.db2.gz HNQADLWQGAAETI-BPIHKTFHSA-N 1 3 332.488 3.378 10 0 EGAEHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086256 454933468 /nfs/dbraw/zinc/93/34/68/454933468.db2.gz CGXWEKWSZFSNIW-UYAOXDASSA-N 1 3 343.515 3.060 10 0 EGAEHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086256 454933471 /nfs/dbraw/zinc/93/34/71/454933471.db2.gz CGXWEKWSZFSNIW-UYAOXDASSA-N 1 3 343.515 3.060 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cscn2)CC1 ZINC000152205799 455086365 /nfs/dbraw/zinc/08/63/65/455086365.db2.gz ZHBQETUDEOLEMW-UHFFFAOYSA-N 1 3 344.528 3.007 10 0 EGAEHO CC(C)[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000181987957 455410964 /nfs/dbraw/zinc/41/09/64/455410964.db2.gz ZFUZKBWFFQLROQ-GOSISDBHSA-N 1 3 326.431 3.098 10 0 EGAEHO CCCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000246237202 455455172 /nfs/dbraw/zinc/45/51/72/455455172.db2.gz IITACSNDQMBPRD-VAMGGRTRSA-N 1 3 343.515 3.017 10 0 EGAEHO c1csc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000249060440 455743437 /nfs/dbraw/zinc/74/34/37/455743437.db2.gz ZWCTVRMAGPCTKS-BCDXTJNWSA-N 1 3 327.497 3.471 10 0 EGAEHO c1csc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000249060440 455743443 /nfs/dbraw/zinc/74/34/43/455743443.db2.gz ZWCTVRMAGPCTKS-BCDXTJNWSA-N 1 3 327.497 3.471 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@](C)(O)c1ccsc1 ZINC000268973577 455750387 /nfs/dbraw/zinc/75/03/87/455750387.db2.gz IQFDSKBTIGZFPO-AHRSYUTCSA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@](C)(O)c1ccsc1 ZINC000268973577 455750389 /nfs/dbraw/zinc/75/03/89/455750389.db2.gz IQFDSKBTIGZFPO-AHRSYUTCSA-N 1 3 344.524 3.456 10 0 EGAEHO COc1ccc(CC[C@H]2CCCCN2C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261904007 455968305 /nfs/dbraw/zinc/96/83/05/455968305.db2.gz WSBCRXGKSMIIDU-NQIIRXRSSA-N 1 3 346.515 3.491 10 0 EGAEHO CC(C)[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994237 456208609 /nfs/dbraw/zinc/20/86/09/456208609.db2.gz CLAXZIXRKJBXJZ-SJLPKXTDSA-N 1 3 337.533 3.032 10 0 EGAEHO CCCN1CCN(c2ccccc2CNCCC[N@H+](C)C(C)C)CC1 ZINC000343160681 456441933 /nfs/dbraw/zinc/44/19/33/456441933.db2.gz MHDGQUQBPVRDSH-UHFFFAOYSA-N 1 3 346.563 3.039 10 0 EGAEHO CCCN1CCN(c2ccccc2CNCCC[N@@H+](C)C(C)C)CC1 ZINC000343160681 456441938 /nfs/dbraw/zinc/44/19/38/456441938.db2.gz MHDGQUQBPVRDSH-UHFFFAOYSA-N 1 3 346.563 3.039 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000340470089 456479807 /nfs/dbraw/zinc/47/98/07/456479807.db2.gz ZKVBYRWSUIJPJW-XLIONFOSSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000340470089 456479815 /nfs/dbraw/zinc/47/98/15/456479815.db2.gz ZKVBYRWSUIJPJW-XLIONFOSSA-N 1 3 341.503 3.078 10 0 EGAEHO C[C@@H]1CCCCN1CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352014820 457330402 /nfs/dbraw/zinc/33/04/02/457330402.db2.gz OAVBTIFBPLPFBQ-QGZVFWFLSA-N 1 3 326.488 3.441 10 0 EGAEHO C[C@@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347385086 457394276 /nfs/dbraw/zinc/39/42/76/457394276.db2.gz ZRINQQAHYSGLMV-UPRUFMODSA-N 1 3 336.483 3.193 10 0 EGAEHO C[C@@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347385086 457394284 /nfs/dbraw/zinc/39/42/84/457394284.db2.gz ZRINQQAHYSGLMV-UPRUFMODSA-N 1 3 336.483 3.193 10 0 EGAEHO Cc1cc2c(cc1C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCO2 ZINC000374231616 457536685 /nfs/dbraw/zinc/53/66/85/457536685.db2.gz RNFYOZBAAXFFKU-IBGZPJMESA-N 1 3 345.531 3.133 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412687 457540819 /nfs/dbraw/zinc/54/08/19/457540819.db2.gz BYUDJSWJBAQNBH-IEBWSBKVSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412687 457540821 /nfs/dbraw/zinc/54/08/21/457540821.db2.gz BYUDJSWJBAQNBH-IEBWSBKVSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000433057489 457655600 /nfs/dbraw/zinc/65/56/00/457655600.db2.gz LXWBXWYZNNLNDS-KRWDZBQOSA-N 1 3 346.515 3.220 10 0 EGAEHO C[C@H](C[NH2+][C@H](C)Cc1ccc(Br)cc1F)CN(C)C ZINC000425940672 457655665 /nfs/dbraw/zinc/65/56/65/457655665.db2.gz AGQFVOGNAPJKGY-VXGBXAGGSA-N 1 3 331.273 3.307 10 0 EGAEHO C[C@H](CN[C@H](C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000425940672 457655671 /nfs/dbraw/zinc/65/56/71/457655671.db2.gz AGQFVOGNAPJKGY-VXGBXAGGSA-N 1 3 331.273 3.307 10 0 EGAEHO COC(=O)[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411215724 457832162 /nfs/dbraw/zinc/83/21/62/457832162.db2.gz IEGKXOBBQTVOEU-IBGZPJMESA-N 1 3 330.472 3.058 10 0 EGAEHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)ccc1OCCN(C)C ZINC000412420261 458199607 /nfs/dbraw/zinc/19/96/07/458199607.db2.gz RKOWZYQUOSTSMC-SFHVURJKSA-N 1 3 347.503 3.138 10 0 EGAEHO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1OCCN(C)C ZINC000412420261 458199612 /nfs/dbraw/zinc/19/96/12/458199612.db2.gz RKOWZYQUOSTSMC-SFHVURJKSA-N 1 3 347.503 3.138 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccccc1CCN(C)C ZINC000446593522 458202797 /nfs/dbraw/zinc/20/27/97/458202797.db2.gz OKKPHUOHMPLSRQ-IAGOWNOFSA-N 1 3 346.519 3.175 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000447539475 458308321 /nfs/dbraw/zinc/30/83/21/458308321.db2.gz AMNIKKSRUVHDSA-LELZANKISA-N 1 3 327.516 3.254 10 0 EGAEHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789816 458654173 /nfs/dbraw/zinc/65/41/73/458654173.db2.gz SKHJPSMWMITZPS-KRWDZBQOSA-N 1 3 332.488 3.463 10 0 EGAEHO CCN1CCN(CCCC[NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494358617 458664085 /nfs/dbraw/zinc/66/40/85/458664085.db2.gz WHIHRNPVDPEIEY-UHFFFAOYSA-N 1 3 346.544 3.112 10 0 EGAEHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442869616 459048740 /nfs/dbraw/zinc/04/87/40/459048740.db2.gz DUMLDSXHNGCAGH-CQSZACIVSA-N 1 3 343.968 3.338 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000520607196 459077797 /nfs/dbraw/zinc/07/77/97/459077797.db2.gz BLJXYCLSLPCIHC-KURKYZTESA-N 1 3 349.563 3.076 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)OCCc2ccccc21 ZINC000558509293 459168674 /nfs/dbraw/zinc/16/86/74/459168674.db2.gz MDOOFCKBFUQOJI-CWJKEVGVSA-N 1 3 328.500 3.327 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)OCCc2ccccc21 ZINC000558509293 459168679 /nfs/dbraw/zinc/16/86/79/459168679.db2.gz MDOOFCKBFUQOJI-CWJKEVGVSA-N 1 3 328.500 3.327 10 0 EGAEHO CC[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCCC1 ZINC000480794391 459219455 /nfs/dbraw/zinc/21/94/55/459219455.db2.gz JALCZYSETDFXLA-CEWLAPEOSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCCNC1 ZINC000582653724 459402803 /nfs/dbraw/zinc/40/28/03/459402803.db2.gz GFDKDZUGHPQKRY-STQMWFEESA-N 1 3 343.393 3.154 10 0 EGAEHO CCN(C(=O)CC[NH2+]C(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000569690723 459495421 /nfs/dbraw/zinc/49/54/21/459495421.db2.gz KJRVZLNFTGRQTD-IEBWSBKVSA-N 1 3 331.504 3.059 10 0 EGAEHO c1ccc(CCN2CCC([NH2+]C[C@H]3CCN3C3CCCC3)CC2)cc1 ZINC000527811683 459747446 /nfs/dbraw/zinc/74/74/46/459747446.db2.gz RVNHCHBTRUBFFI-JOCHJYFZSA-N 1 3 341.543 3.300 10 0 EGAEHO CC(C)C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983002 460115242 /nfs/dbraw/zinc/11/52/42/460115242.db2.gz WYHYDPRWOGFNOT-HOTGVXAUSA-N 1 3 326.525 3.453 10 0 EGAEHO CC(C)C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983002 460115250 /nfs/dbraw/zinc/11/52/50/460115250.db2.gz WYHYDPRWOGFNOT-HOTGVXAUSA-N 1 3 326.525 3.453 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)COCC)CC1 ZINC000576705066 460197184 /nfs/dbraw/zinc/19/71/84/460197184.db2.gz HCTVGAYNZJMZMC-UHFFFAOYSA-N 1 3 347.547 3.371 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1F ZINC000623375979 460517099 /nfs/dbraw/zinc/51/70/99/460517099.db2.gz BCHPBYHAYXAUDQ-INIZCTEOSA-N 1 3 330.451 3.282 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CC1(C)C ZINC000623386361 460521711 /nfs/dbraw/zinc/52/17/11/460521711.db2.gz SRRUGVPICFFCOX-IRXDYDNUSA-N 1 3 335.561 3.423 10 0 EGAEHO [NH3+]CCCOCCN[C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629534500 460798727 /nfs/dbraw/zinc/79/87/27/460798727.db2.gz ALUJYTCOYKNKFB-HNNXBMFYSA-N 1 3 349.475 3.282 10 0 EGAEHO C[NH2+]CCOCCN(C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000629653167 460847404 /nfs/dbraw/zinc/84/74/04/460847404.db2.gz HHEFDMZRANSEPV-UHFFFAOYSA-N 1 3 328.456 3.030 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CO[C@@H](C4CC4)C2)C3)cc1 ZINC000624223406 460918205 /nfs/dbraw/zinc/91/82/05/460918205.db2.gz TVANRMHCQVMLAT-JRSUCEMESA-N 1 3 326.484 3.339 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CO[C@@H](C4CC4)C2)C3)cc1 ZINC000624223406 460918209 /nfs/dbraw/zinc/91/82/09/460918209.db2.gz TVANRMHCQVMLAT-JRSUCEMESA-N 1 3 326.484 3.339 10 0 EGAEHO C[C@@]1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCCS1 ZINC000628224901 461054131 /nfs/dbraw/zinc/05/41/31/461054131.db2.gz FLIOVRFHSLPWTA-IBGZPJMESA-N 1 3 334.529 3.019 10 0 EGAEHO CCN1CCN(c2cccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)c2)CC1 ZINC000628240559 461058426 /nfs/dbraw/zinc/05/84/26/461058426.db2.gz KBGZVHAHOINDTR-GOSISDBHSA-N 1 3 330.520 3.113 10 0 EGAEHO CCN1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)CC1 ZINC000628240559 461058427 /nfs/dbraw/zinc/05/84/27/461058427.db2.gz KBGZVHAHOINDTR-GOSISDBHSA-N 1 3 330.520 3.113 10 0 EGAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662455050 461249921 /nfs/dbraw/zinc/24/99/21/461249921.db2.gz UKJPPSQGTIDHJO-APWZRJJASA-N 1 3 343.515 3.238 10 0 EGAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662455050 461249929 /nfs/dbraw/zinc/24/99/29/461249929.db2.gz UKJPPSQGTIDHJO-APWZRJJASA-N 1 3 343.515 3.238 10 0 EGAEHO CC1CC[NH+](C2CCC(NCc3cc4n(n3)CCCC4)CC2)CC1 ZINC000655752913 461418545 /nfs/dbraw/zinc/41/85/45/461418545.db2.gz RIRXUNLZMDZOTH-UHFFFAOYSA-N 1 3 330.520 3.352 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000659910841 461494643 /nfs/dbraw/zinc/49/46/43/461494643.db2.gz UVTYMVKWCQKXEG-LEWJYISDSA-N 1 3 341.543 3.208 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000659910841 461494645 /nfs/dbraw/zinc/49/46/45/461494645.db2.gz UVTYMVKWCQKXEG-LEWJYISDSA-N 1 3 341.543 3.208 10 0 EGAEHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000631073760 461525105 /nfs/dbraw/zinc/52/51/05/461525105.db2.gz ORHONQKFLLGEOM-GDBMZVCRSA-N 1 3 341.446 3.246 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000656200588 461646493 /nfs/dbraw/zinc/64/64/93/461646493.db2.gz AOVUSFVJGCGWJB-HNJRGHQBSA-N 1 3 330.472 3.180 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCO2)cc1 ZINC000656405405 461736256 /nfs/dbraw/zinc/73/62/56/461736256.db2.gz PVVKKVHAZDSPHX-ZPAWYTMASA-N 1 3 326.484 3.008 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@H]2CCCO2)cc1 ZINC000656405405 461736262 /nfs/dbraw/zinc/73/62/62/461736262.db2.gz PVVKKVHAZDSPHX-ZPAWYTMASA-N 1 3 326.484 3.008 10 0 EGAEHO FC(F)Oc1cccc(Cl)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544507 461759221 /nfs/dbraw/zinc/75/92/21/461759221.db2.gz AZINVWHSYURNCL-TXEJJXNPSA-N 1 3 330.806 3.373 10 0 EGAEHO CO[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)C1CC1 ZINC000639330885 461865325 /nfs/dbraw/zinc/86/53/25/461865325.db2.gz YFQFJOXCBFRWPG-PMACEKPBSA-N 1 3 328.500 3.303 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786933 461897638 /nfs/dbraw/zinc/89/76/38/461897638.db2.gz XSXSHBKGVPENCY-QGZVFWFLSA-N 1 3 342.512 3.417 10 0 EGAEHO [NH3+]CC1(CCNCc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000650713580 461906451 /nfs/dbraw/zinc/90/64/51/461906451.db2.gz WXLRJYACSSMEHT-UHFFFAOYSA-N 1 3 349.276 3.058 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c(Br)c1 ZINC000650718174 461910271 /nfs/dbraw/zinc/91/02/71/461910271.db2.gz AJMJDHSQHUONHJ-UHFFFAOYSA-N 1 3 349.272 3.467 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664659404 462143054 /nfs/dbraw/zinc/14/30/54/462143054.db2.gz XCKXSJJUHOJFQX-QGZVFWFLSA-N 1 3 327.472 3.399 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC2CC(OC)C2)CC1 ZINC000657527572 462167061 /nfs/dbraw/zinc/16/70/61/462167061.db2.gz DGBRLAPTVVSLKX-UHFFFAOYSA-N 1 3 345.531 3.123 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)s3)cc2)C1 ZINC000657595011 462195983 /nfs/dbraw/zinc/19/59/83/462195983.db2.gz MFSPWOHPUSKPFH-HNNXBMFYSA-N 1 3 336.888 3.258 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)s3)cc2)C1 ZINC000657595011 462195987 /nfs/dbraw/zinc/19/59/87/462195987.db2.gz MFSPWOHPUSKPFH-HNNXBMFYSA-N 1 3 336.888 3.258 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657595317 462197774 /nfs/dbraw/zinc/19/77/74/462197774.db2.gz OQYHNGNBZCVMDW-IBGZPJMESA-N 1 3 342.508 3.265 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657595317 462197780 /nfs/dbraw/zinc/19/77/80/462197780.db2.gz OQYHNGNBZCVMDW-IBGZPJMESA-N 1 3 342.508 3.265 10 0 EGAEHO CCCc1cccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657598100 462198702 /nfs/dbraw/zinc/19/87/02/462198702.db2.gz YESYRDHQTMDXHD-QFIPXVFZSA-N 1 3 338.495 3.496 10 0 EGAEHO CCCc1cccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657598100 462198718 /nfs/dbraw/zinc/19/87/18/462198718.db2.gz YESYRDHQTMDXHD-QFIPXVFZSA-N 1 3 338.495 3.496 10 0 EGAEHO C[C@@H](CO)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836982 462210104 /nfs/dbraw/zinc/21/01/04/462210104.db2.gz YLGFSEUAQGNKIR-YLJYHZDGSA-N 1 3 330.516 3.237 10 0 EGAEHO C[C@@H](CO)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836982 462210110 /nfs/dbraw/zinc/21/01/10/462210110.db2.gz YLGFSEUAQGNKIR-YLJYHZDGSA-N 1 3 330.516 3.237 10 0 EGAEHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)(C)C(F)F ZINC000657874727 462303842 /nfs/dbraw/zinc/30/38/42/462303842.db2.gz YPYKCKOHRITTNH-CQSZACIVSA-N 1 3 328.447 3.439 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753341 462325822 /nfs/dbraw/zinc/32/58/22/462325822.db2.gz NRBNDKMOYBHQLC-UKRRQHHQSA-N 1 3 328.859 3.413 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000658136479 462400371 /nfs/dbraw/zinc/40/03/71/462400371.db2.gz HBSBNLUINTWGHP-OXQOHEQNSA-N 1 3 339.483 3.116 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000658136479 462400376 /nfs/dbraw/zinc/40/03/76/462400376.db2.gz HBSBNLUINTWGHP-OXQOHEQNSA-N 1 3 339.483 3.116 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCc4sccc43)cc2)C1 ZINC000658136677 462400452 /nfs/dbraw/zinc/40/04/52/462400452.db2.gz DSZOLJGWMMFKSL-PKOBYXMFSA-N 1 3 342.508 3.482 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCc4sccc43)cc2)C1 ZINC000658136677 462400455 /nfs/dbraw/zinc/40/04/55/462400455.db2.gz DSZOLJGWMMFKSL-PKOBYXMFSA-N 1 3 342.508 3.482 10 0 EGAEHO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658136607 462400514 /nfs/dbraw/zinc/40/05/14/462400514.db2.gz DOHZJGBFIGYCHO-MOPGFXCFSA-N 1 3 344.524 3.426 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542555 547824253 /nfs/dbraw/zinc/82/42/53/547824253.db2.gz RMXMIUOQRVMBNL-BWAGFHJFSA-N 1 3 339.527 3.113 10 0 EGAEHO CCCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000390883849 547828828 /nfs/dbraw/zinc/82/88/28/547828828.db2.gz UZEFZGCDPDOQGO-UDEWTMQYSA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)c1ccncc1 ZINC000675926499 549005706 /nfs/dbraw/zinc/00/57/06/549005706.db2.gz BPLDYMWYSJMOKC-SJORKVTESA-N 1 3 327.472 3.476 10 0 EGAEHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)c1ccncc1 ZINC000675926498 549005956 /nfs/dbraw/zinc/00/59/56/549005956.db2.gz BPLDYMWYSJMOKC-IRXDYDNUSA-N 1 3 327.472 3.476 10 0 EGAEHO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000678079673 549391740 /nfs/dbraw/zinc/39/17/40/549391740.db2.gz VMNSKGWBCIGYET-HKUYNNGSSA-N 1 3 327.516 3.386 10 0 EGAEHO CC[C@H]1c2ccsc2CCN1C(=O)CN(C)CCCCCC[NH3+] ZINC000872154829 1296772741 /nfs/dbraw/zinc/77/27/41/1296772741.db2.gz BUTMTHDWVPDDAZ-INIZCTEOSA-N 1 3 337.533 3.035 10 0 EGAEHO c1ccc(CN2CC[C@@H](C[NH2+][C@H]3CCN(Cc4ccccc4)C3)C2)cc1 ZINC000380927630 1297547169 /nfs/dbraw/zinc/54/71/69/1297547169.db2.gz DEPIGJROEQPGTA-GOTSBHOMSA-N 1 3 349.522 3.373 10 0 EGAEHO CCCN(CC[NH2+]C1CCN(CC(C)C)CC1)C(=O)OC(C)(C)C ZINC000383125620 1297567789 /nfs/dbraw/zinc/56/77/89/1297567789.db2.gz UHYIWPYGAMGQCQ-UHFFFAOYSA-N 1 3 341.540 3.344 10 0 EGAEHO C[NH2+]C1CCC(N(C)Cc2ccc(OC)cc2Br)CC1 ZINC000383799436 1297574268 /nfs/dbraw/zinc/57/42/68/1297574268.db2.gz OBGDRJRBSOCDHA-UHFFFAOYSA-N 1 3 341.293 3.420 10 0 EGAEHO CC[NH+](CC)CCCN[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029287 1297723270 /nfs/dbraw/zinc/72/32/70/1297723270.db2.gz IUGMHPGBYQIMGT-CVEARBPZSA-N 1 3 327.513 3.096 10 0 EGAEHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284256 1298279842 /nfs/dbraw/zinc/27/98/42/1298279842.db2.gz WXYGHKFQJMXAFE-GVDBMIGSSA-N 1 3 339.524 3.238 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](CC[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000878428527 1299995899 /nfs/dbraw/zinc/99/58/99/1299995899.db2.gz UKFZFZRWEKAXJO-KRWDZBQOSA-N 1 3 343.506 3.161 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](CC[C@H]3CCCC3(F)F)CC2)CC1 ZINC000878428528 1299996036 /nfs/dbraw/zinc/99/60/36/1299996036.db2.gz UKFZFZRWEKAXJO-QGZVFWFLSA-N 1 3 343.506 3.161 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@@H](C)C1 ZINC000894049022 1306191212 /nfs/dbraw/zinc/19/12/12/1306191212.db2.gz CCGPOPCXJNGAKT-KSSFIOAISA-N 1 3 343.471 3.117 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@@H](C)C1 ZINC000894049022 1306191213 /nfs/dbraw/zinc/19/12/13/1306191213.db2.gz CCGPOPCXJNGAKT-KSSFIOAISA-N 1 3 343.471 3.117 10 0 EGAEHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CCC3(CC3)CC2)CC1 ZINC000929428007 1328595727 /nfs/dbraw/zinc/59/57/27/1328595727.db2.gz OZNSZFWXEZTQHS-KDURUIRLSA-N 1 3 333.564 3.447 10 0 EGAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CCC3(CC3)CC2)CC1 ZINC000929428007 1328595739 /nfs/dbraw/zinc/59/57/39/1328595739.db2.gz OZNSZFWXEZTQHS-KDURUIRLSA-N 1 3 333.564 3.447 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140837 1328693902 /nfs/dbraw/zinc/69/39/02/1328693902.db2.gz IIIQDNVECDGJIN-GJZGRUSLSA-N 1 3 331.287 3.489 10 0 EGAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(OCc2ccccn2)c1 ZINC000924679644 1323109629 /nfs/dbraw/zinc/10/96/29/1323109629.db2.gz NBNVDUWNVSGLTG-HTZLVSCSSA-N 1 3 337.467 3.090 10 0 EGAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(OCc2ccccn2)c1 ZINC000924679644 1323109634 /nfs/dbraw/zinc/10/96/34/1323109634.db2.gz NBNVDUWNVSGLTG-HTZLVSCSSA-N 1 3 337.467 3.090 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439571 1325149906 /nfs/dbraw/zinc/14/99/06/1325149906.db2.gz MTXMWYBEERQBHU-FGTMMUONSA-N 1 3 348.535 3.223 10 0 EGAEHO COc1ccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cc1OC ZINC000925487528 1325172907 /nfs/dbraw/zinc/17/29/07/1325172907.db2.gz CYRXTKCHHMHZFN-QZTJIDSGSA-N 1 3 332.488 3.004 10 0 EGAEHO CC1(C)[C@@H](NC[C@@H](c2cccs2)N2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492721 1325174847 /nfs/dbraw/zinc/17/48/47/1325174847.db2.gz ICOLWZBBMSWLRA-FZCLSBEQSA-N 1 3 333.545 3.251 10 0 EGAEHO COc1cccc([C@H](CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)N(C)C)c1 ZINC000925493018 1325175860 /nfs/dbraw/zinc/17/58/60/1325175860.db2.gz JIPMYNWHMPDYTG-HBMCJLEFSA-N 1 3 345.531 3.056 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925509938 1325184915 /nfs/dbraw/zinc/18/49/15/1325184915.db2.gz QGUWCHWIIOUEBZ-RTBURBONSA-N 1 3 340.515 3.493 10 0 EGAEHO c1ccc(C2(C[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544334 1325199841 /nfs/dbraw/zinc/19/98/41/1325199841.db2.gz QALNKUIVRKAYIM-NHCUHLMSSA-N 1 3 342.527 3.493 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000925581528 1325219103 /nfs/dbraw/zinc/21/91/03/1325219103.db2.gz ZVLPQECCMBGRGE-RBUKOAKNSA-N 1 3 343.515 3.308 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000925581525 1325219327 /nfs/dbraw/zinc/21/93/27/1325219327.db2.gz ZVLPQECCMBGRGE-OALUTQOASA-N 1 3 343.515 3.308 10 0 EGAEHO Cc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646078 1325245708 /nfs/dbraw/zinc/24/57/08/1325245708.db2.gz SHTZBJRKPHLGHP-CVEARBPZSA-N 1 3 347.894 3.225 10 0 EGAEHO CCN(CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CCC(F)(F)F ZINC000925649710 1325247849 /nfs/dbraw/zinc/24/78/49/1325247849.db2.gz IBYJKLPJZAPTDT-JKSUJKDBSA-N 1 3 335.458 3.019 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000925779715 1325298927 /nfs/dbraw/zinc/29/89/27/1325298927.db2.gz OUYBIXVLCKPDPP-PWSUYJOCSA-N 1 3 338.320 3.481 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000925781134 1325299594 /nfs/dbraw/zinc/29/95/94/1325299594.db2.gz HKXLFJDPCUHQAQ-HZMBPMFUSA-N 1 3 345.231 3.271 10 0 EGAEHO Cc1ccc(C[C@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925792996 1325305082 /nfs/dbraw/zinc/30/50/82/1325305082.db2.gz CVXXWHXGIHEEGQ-UXHICEINSA-N 1 3 330.516 3.310 10 0 EGAEHO Cc1c2ccccc2oc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857876 1325332568 /nfs/dbraw/zinc/33/25/68/1325332568.db2.gz WZLPMEVIMAGGIE-LSDHHAIUSA-N 1 3 342.439 3.077 10 0 EGAEHO Cc1c2ccccc2oc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857875 1325332928 /nfs/dbraw/zinc/33/29/28/1325332928.db2.gz WZLPMEVIMAGGIE-HUUCEWRRSA-N 1 3 342.439 3.077 10 0 EGAEHO COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1CN1CCCCC1 ZINC000863548475 1329562470 /nfs/dbraw/zinc/56/24/70/1329562470.db2.gz XQNXHFHXQOVGIA-FUHIMQAGSA-N 1 3 345.531 3.472 10 0 EGAEHO Cc1ccnc(CNC2CCC([NH+](C)C)CC2)c1Br ZINC000865605579 1329719035 /nfs/dbraw/zinc/71/90/35/1329719035.db2.gz DHOWNSJOGLMXGG-UHFFFAOYSA-N 1 3 326.282 3.115 10 0 EGAEHO c1ccc(CN2CCCC[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865803980 1329740211 /nfs/dbraw/zinc/74/02/11/1329740211.db2.gz NZPPWCQKUNNNSY-HKBOAZHASA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCCC[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865803980 1329740213 /nfs/dbraw/zinc/74/02/13/1329740213.db2.gz NZPPWCQKUNNNSY-HKBOAZHASA-N 1 3 327.516 3.258 10 0 EGAEHO CC1(C)[C@H](O)CCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001194627226 1368299376 /nfs/dbraw/zinc/29/93/76/1368299376.db2.gz WRNOAOGKVMTMCC-HXUWFJFHSA-N 1 3 330.516 3.176 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c1 ZINC001119633767 1371380095 /nfs/dbraw/zinc/38/00/95/1371380095.db2.gz UVTQXEWNLWYSTO-UHFFFAOYSA-N 1 3 345.531 3.188 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1)N(C)C ZINC001326305977 1388148677 /nfs/dbraw/zinc/14/86/77/1388148677.db2.gz WKYSYXJLUPPSEW-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001268589945 1377513610 /nfs/dbraw/zinc/51/36/10/1377513610.db2.gz AIHPRZSZIDHURA-JTHGQSKGSA-N 1 3 345.531 3.296 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001270830923 1377615294 /nfs/dbraw/zinc/61/52/94/1377615294.db2.gz UUINGSMMHGSHLQ-UYAOXDASSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001281526706 1378438470 /nfs/dbraw/zinc/43/84/70/1378438470.db2.gz HBIWKDLPKDWSBE-UHFFFAOYSA-N 1 3 345.531 3.116 10 0 EGAEHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001282275222 1378494241 /nfs/dbraw/zinc/49/42/41/1378494241.db2.gz VFEKGRBJAKWKIT-ACBHZAAOSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663181 1378532254 /nfs/dbraw/zinc/53/22/54/1378532254.db2.gz AABGJTCWNNIJCK-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663181 1378532256 /nfs/dbraw/zinc/53/22/56/1378532256.db2.gz AABGJTCWNNIJCK-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001283187329 1378756377 /nfs/dbraw/zinc/75/63/77/1378756377.db2.gz TXSDBDWLBOMPCI-LPHOPBHVSA-N 1 3 343.515 3.033 10 0 EGAEHO CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001327694760 1388584455 /nfs/dbraw/zinc/58/44/55/1388584455.db2.gz CALYZWCYGAMPJR-IRXDYDNUSA-N 1 3 343.515 3.006 10 0 EGAEHO CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001327694760 1388584457 /nfs/dbraw/zinc/58/44/57/1388584457.db2.gz CALYZWCYGAMPJR-IRXDYDNUSA-N 1 3 343.515 3.006 10 0 EGAEHO CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001283677017 1379104601 /nfs/dbraw/zinc/10/46/01/1379104601.db2.gz GZGJWRMCOVNBSS-FUHWJXTLSA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001283912734 1379263162 /nfs/dbraw/zinc/26/31/62/1379263162.db2.gz DCOVLNTXAIWHNO-SJLPKXTDSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001327905558 1388620578 /nfs/dbraw/zinc/62/05/78/1388620578.db2.gz VOVLHFNCMWNGTD-HKUYNNGSSA-N 1 3 349.563 3.291 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CCC1 ZINC001284600062 1380000963 /nfs/dbraw/zinc/00/09/63/1380000963.db2.gz YPQUOXBRGJVOLG-KRWDZBQOSA-N 1 3 335.536 3.092 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001284684048 1380094146 /nfs/dbraw/zinc/09/41/46/1380094146.db2.gz KCPAUSPQASYQTF-YKMDAGRBSA-N 1 3 349.563 3.432 10 0 EGAEHO CC(C)CC[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001328051471 1388654535 /nfs/dbraw/zinc/65/45/35/1388654535.db2.gz UPDRLKQXEQBFPP-UHFFFAOYSA-N 1 3 345.531 3.379 10 0 EGAEHO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)c1 ZINC001328113225 1388677120 /nfs/dbraw/zinc/67/71/20/1388677120.db2.gz MBRQXBDUHTVZAB-LJQANCHMSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C2)c1 ZINC001328113225 1388677123 /nfs/dbraw/zinc/67/71/23/1388677123.db2.gz MBRQXBDUHTVZAB-LJQANCHMSA-N 1 3 345.531 3.052 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328254023 1388699217 /nfs/dbraw/zinc/69/92/17/1388699217.db2.gz DEOZOGUCDITHDL-YQJUVHNHSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328254023 1388699219 /nfs/dbraw/zinc/69/92/19/1388699219.db2.gz DEOZOGUCDITHDL-YQJUVHNHSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001316652767 1384506743 /nfs/dbraw/zinc/50/67/43/1384506743.db2.gz PPXVANZAGIRQPR-JENIJYKNSA-N 1 3 343.515 3.106 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001316757915 1384563065 /nfs/dbraw/zinc/56/30/65/1384563065.db2.gz ZGUCZCCKLCDPLK-ZSQQTYLHSA-N 1 3 349.563 3.101 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001316757915 1384563071 /nfs/dbraw/zinc/56/30/71/1384563071.db2.gz ZGUCZCCKLCDPLK-ZSQQTYLHSA-N 1 3 349.563 3.101 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001316771987 1384570666 /nfs/dbraw/zinc/57/06/66/1384570666.db2.gz VGYJIPLIUODGRG-SFHVURJKSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCN(Cc2cccc(C)c2)[C@@H]1C)[NH+](CC)CC ZINC001316792099 1384584659 /nfs/dbraw/zinc/58/46/59/1384584659.db2.gz DHSPDNYBZBXKGL-YZGWKJHDSA-N 1 3 345.531 3.194 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001316851187 1384639466 /nfs/dbraw/zinc/63/94/66/1384639466.db2.gz RRPIRTKYTLXQLL-JXFKEZNVSA-N 1 3 345.531 3.015 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001316851187 1384639469 /nfs/dbraw/zinc/63/94/69/1384639469.db2.gz RRPIRTKYTLXQLL-JXFKEZNVSA-N 1 3 345.531 3.015 10 0 EGAEHO C[C@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001316878434 1384663032 /nfs/dbraw/zinc/66/30/32/1384663032.db2.gz HRORWWHIBSQNLB-QFBILLFUSA-N 1 3 349.494 3.081 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001317169285 1384934460 /nfs/dbraw/zinc/93/44/60/1384934460.db2.gz YJMXAKCCHPISDC-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205857 1384982004 /nfs/dbraw/zinc/98/20/04/1384982004.db2.gz BJJQDHFWLCEBAO-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317205857 1384982006 /nfs/dbraw/zinc/98/20/06/1384982006.db2.gz BJJQDHFWLCEBAO-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246628 1385019739 /nfs/dbraw/zinc/01/97/39/1385019739.db2.gz VXAJBNGHFWORDG-UYAOXDASSA-N 1 3 345.531 3.081 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCC1 ZINC001317409333 1385120689 /nfs/dbraw/zinc/12/06/89/1385120689.db2.gz UFTBIFCWTNHAAK-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001317416330 1385125960 /nfs/dbraw/zinc/12/59/60/1385125960.db2.gz UKLXKNIYCKLFIF-KXBFYZLASA-N 1 3 349.494 3.028 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001317434887 1385138012 /nfs/dbraw/zinc/13/80/12/1385138012.db2.gz NQTPIIQNBFHKIQ-PMACEKPBSA-N 1 3 349.563 3.412 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001317434887 1385138015 /nfs/dbraw/zinc/13/80/15/1385138015.db2.gz NQTPIIQNBFHKIQ-PMACEKPBSA-N 1 3 349.563 3.412 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001317435094 1385138446 /nfs/dbraw/zinc/13/84/46/1385138446.db2.gz PIENXHVETIUZBF-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC(C)C ZINC001317435094 1385138448 /nfs/dbraw/zinc/13/84/48/1385138448.db2.gz PIENXHVETIUZBF-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001319069840 1385951629 /nfs/dbraw/zinc/95/16/29/1385951629.db2.gz NVDHMKQTDJTADC-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001319683533 1386250590 /nfs/dbraw/zinc/25/05/90/1386250590.db2.gz PTOZDHLEYMCMMJ-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163872 1386542956 /nfs/dbraw/zinc/54/29/56/1386542956.db2.gz KIIGWLFWVKECDZ-MOPGFXCFSA-N 1 3 349.563 3.339 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416813 1386604233 /nfs/dbraw/zinc/60/42/33/1386604233.db2.gz WMBYHFILKQKTQP-DLBZAZTESA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280951 1387136823 /nfs/dbraw/zinc/13/68/23/1387136823.db2.gz LLGHPAXAPYJTLG-OXJNMPFZSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280951 1387136827 /nfs/dbraw/zinc/13/68/27/1387136827.db2.gz LLGHPAXAPYJTLG-OXJNMPFZSA-N 1 3 345.531 3.087 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]CC2CCCCC2)c1 ZINC001322845909 1387245769 /nfs/dbraw/zinc/24/57/69/1387245769.db2.gz ZUDWRHJFPBGCJS-UHFFFAOYSA-N 1 3 345.531 3.380 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001698735790 1406386257 /nfs/dbraw/zinc/38/62/57/1406386257.db2.gz OOZLSKYBFIPGFH-UEKDZROGSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001698735790 1406386259 /nfs/dbraw/zinc/38/62/59/1406386259.db2.gz OOZLSKYBFIPGFH-UEKDZROGSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001331943782 1389921214 /nfs/dbraw/zinc/92/12/14/1389921214.db2.gz KUSWBPHYGHLDEX-FXAWDEMLSA-N 1 3 345.531 3.377 10 0 EGAEHO C[C@H](N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412084 1390109376 /nfs/dbraw/zinc/10/93/76/1390109376.db2.gz ASVCTEXNTRUPLQ-YJBOKZPZSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCC2CCC2)CC1)N(C)C ZINC001332959880 1390223961 /nfs/dbraw/zinc/22/39/61/1390223961.db2.gz IBERAOBOWNWBDX-APWZRJJASA-N 1 3 337.552 3.124 10 0 EGAEHO CC1CCN([C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC001349473334 1391333826 /nfs/dbraw/zinc/33/38/26/1391333826.db2.gz MGXRXXASLLFEJT-VAMGGRTRSA-N 1 3 343.515 3.093 10 0 EGAEHO C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001698828216 1406521733 /nfs/dbraw/zinc/52/17/33/1406521733.db2.gz MCMOLKCZDBIHME-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001479709866 1392331765 /nfs/dbraw/zinc/33/17/65/1392331765.db2.gz BRPBGRNJJVWIBL-SQNIBIBYSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001479709866 1392331767 /nfs/dbraw/zinc/33/17/67/1392331767.db2.gz BRPBGRNJJVWIBL-SQNIBIBYSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)C)CC(C)(C)C1)N(C)C ZINC001479744639 1392358911 /nfs/dbraw/zinc/35/89/11/1392358911.db2.gz GTHXOBGCLUMLLM-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC(C)C)CC(C)(C)C1)N(C)C ZINC001479744639 1392358913 /nfs/dbraw/zinc/35/89/13/1392358913.db2.gz GTHXOBGCLUMLLM-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCN(C(=O)CN(C)C(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001479996228 1392528050 /nfs/dbraw/zinc/52/80/50/1392528050.db2.gz AXALROKANKWFAI-QGZVFWFLSA-N 1 3 325.541 3.076 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001479980887 1392514126 /nfs/dbraw/zinc/51/41/26/1392514126.db2.gz KLEOIPUSYUWPLG-WYNBNGFRSA-N 1 3 347.547 3.186 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)N(C)C ZINC001480182785 1392614265 /nfs/dbraw/zinc/61/42/65/1392614265.db2.gz YOTPGUVBPNZRQK-XVLXNVKGSA-N 1 3 335.536 3.019 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)N(C)C ZINC001480182785 1392614266 /nfs/dbraw/zinc/61/42/66/1392614266.db2.gz YOTPGUVBPNZRQK-XVLXNVKGSA-N 1 3 335.536 3.019 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001480183291 1392614914 /nfs/dbraw/zinc/61/49/14/1392614914.db2.gz OJQIFDOGEUYMQJ-IHWFROFDSA-N 1 3 347.547 3.329 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001480183291 1392614926 /nfs/dbraw/zinc/61/49/26/1392614926.db2.gz OJQIFDOGEUYMQJ-IHWFROFDSA-N 1 3 347.547 3.329 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)CC(C)(C)C ZINC001480224161 1392627007 /nfs/dbraw/zinc/62/70/07/1392627007.db2.gz PBQRYPXCXSYDHR-HDICACEKSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001480332980 1392692283 /nfs/dbraw/zinc/69/22/83/1392692283.db2.gz VRPCKLNKGXZKRM-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001480332980 1392692284 /nfs/dbraw/zinc/69/22/84/1392692284.db2.gz VRPCKLNKGXZKRM-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1)N(C)C ZINC001480350882 1392699582 /nfs/dbraw/zinc/69/95/82/1392699582.db2.gz FDUNQWNTGJLDJY-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001480367738 1392710573 /nfs/dbraw/zinc/71/05/73/1392710573.db2.gz LVLMFDMJVZYLGS-RTBURBONSA-N 1 3 349.494 3.081 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696316 1392860269 /nfs/dbraw/zinc/86/02/69/1392860269.db2.gz HOFHHMDKGNJOHE-ZWKOTPCHSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001490425434 1394223900 /nfs/dbraw/zinc/22/39/00/1394223900.db2.gz UNHKEUNOJWPOTQ-UHFFFAOYSA-N 1 3 335.536 3.140 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CCC(C)CC2)CCCC1 ZINC001481912382 1394592639 /nfs/dbraw/zinc/59/26/39/1394592639.db2.gz WJJYGVDBUZPOKU-UHFFFAOYSA-N 1 3 346.519 3.106 10 0 EGAEHO C[C@H]([NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC001482008299 1394668178 /nfs/dbraw/zinc/66/81/78/1394668178.db2.gz NRRMZMCUJVPVMF-SFHVURJKSA-N 1 3 343.515 3.062 10 0 EGAEHO CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001482020405 1394676788 /nfs/dbraw/zinc/67/67/88/1394676788.db2.gz DPTUZLNKWWLDLS-ULQDDVLXSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC001482027689 1394686907 /nfs/dbraw/zinc/68/69/07/1394686907.db2.gz LPLADSRYSPTTIM-BHIYHBOVSA-N 1 3 331.504 3.105 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)N1CCCCC1 ZINC001482385064 1394945018 /nfs/dbraw/zinc/94/50/18/1394945018.db2.gz YVSHIYNPIHYYHT-SFHVURJKSA-N 1 3 337.552 3.338 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CN(C)C(C)C)c1 ZINC001482501206 1395053757 /nfs/dbraw/zinc/05/37/57/1395053757.db2.gz MMJYQKGENCOXEG-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001484118969 1395261823 /nfs/dbraw/zinc/26/18/23/1395261823.db2.gz IMCWAKUOMVLDEC-NRFANRHFSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001484828393 1395566308 /nfs/dbraw/zinc/56/63/08/1395566308.db2.gz BIAAOQRQGFNSFQ-ICSRJNTNSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001484828393 1395566310 /nfs/dbraw/zinc/56/63/10/1395566310.db2.gz BIAAOQRQGFNSFQ-ICSRJNTNSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001485194317 1395699159 /nfs/dbraw/zinc/69/91/59/1395699159.db2.gz OLWMAAXUSSFMIR-JKSUJKDBSA-N 1 3 327.557 3.273 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001485683162 1396103276 /nfs/dbraw/zinc/10/32/76/1396103276.db2.gz HMYYRVDEZIRWLM-NCXUSEDFSA-N 1 3 337.552 3.026 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485759524 1396135280 /nfs/dbraw/zinc/13/52/80/1396135280.db2.gz YISSUICBSCVKJE-VJIACCKLSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001485759524 1396135281 /nfs/dbraw/zinc/13/52/81/1396135281.db2.gz YISSUICBSCVKJE-VJIACCKLSA-N 1 3 337.552 3.242 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2CCC)CC1(C)C ZINC001486235070 1396186001 /nfs/dbraw/zinc/18/60/01/1396186001.db2.gz RFRIOUXGBGPPNB-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NCc1ccc2c(c1)CN(C(C)C)C2)[NH+]1CCCC1 ZINC001502653614 1396214115 /nfs/dbraw/zinc/21/41/15/1396214115.db2.gz GRUMCQFURWVLKF-HXUWFJFHSA-N 1 3 343.515 3.147 10 0 EGAEHO Cc1ncc(C[NH2+]CC=CCNC(=O)C2CC3CCC2CC3)s1 ZINC001497766912 1396837491 /nfs/dbraw/zinc/83/74/91/1396837491.db2.gz RLLYPOGZFLHCJL-UAOFDFACSA-N 1 3 333.501 3.040 10 0 EGAEHO Cc1ncc(C[NH2+]C/C=C\CNC(=O)C2CC3CCC2CC3)s1 ZINC001497766912 1396837512 /nfs/dbraw/zinc/83/75/12/1396837512.db2.gz RLLYPOGZFLHCJL-UAOFDFACSA-N 1 3 333.501 3.040 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001699023494 1406858655 /nfs/dbraw/zinc/85/86/55/1406858655.db2.gz UHLTYAYXENEVNC-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001699023494 1406858661 /nfs/dbraw/zinc/85/86/61/1406858661.db2.gz UHLTYAYXENEVNC-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001699023496 1406858748 /nfs/dbraw/zinc/85/87/48/1406858748.db2.gz UHLTYAYXENEVNC-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001699023496 1406858752 /nfs/dbraw/zinc/85/87/52/1406858752.db2.gz UHLTYAYXENEVNC-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001689309002 1397029770 /nfs/dbraw/zinc/02/97/70/1397029770.db2.gz LNKJBLDAVJZVJK-YQJUVHNHSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001689309002 1397029773 /nfs/dbraw/zinc/02/97/73/1397029773.db2.gz LNKJBLDAVJZVJK-YQJUVHNHSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001690610391 1404651506 /nfs/dbraw/zinc/65/15/06/1404651506.db2.gz MCFOCGPQJCFJFX-QFBILLFUSA-N 1 3 343.515 3.033 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757183 1404711227 /nfs/dbraw/zinc/71/12/27/1404711227.db2.gz CHQNBZIIRXOVRT-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001690820155 1404755889 /nfs/dbraw/zinc/75/58/89/1404755889.db2.gz BOLAGSPWPTWKFU-MOPGFXCFSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001690820155 1404755892 /nfs/dbraw/zinc/75/58/92/1404755892.db2.gz BOLAGSPWPTWKFU-MOPGFXCFSA-N 1 3 337.552 3.362 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C(C)C)cc1 ZINC001691040540 1404950617 /nfs/dbraw/zinc/95/06/17/1404950617.db2.gz NRUBWFONVWTWNL-SFHVURJKSA-N 1 3 345.531 3.090 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C(C)C)cc1 ZINC001691040540 1404950624 /nfs/dbraw/zinc/95/06/24/1404950624.db2.gz NRUBWFONVWTWNL-SFHVURJKSA-N 1 3 345.531 3.090 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)N1CCCC1 ZINC001691091859 1405025797 /nfs/dbraw/zinc/02/57/97/1405025797.db2.gz HYQPHDUPTRWREZ-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCC1)N1CCCC1 ZINC001691091859 1405025799 /nfs/dbraw/zinc/02/57/99/1405025799.db2.gz HYQPHDUPTRWREZ-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001691485934 1405296646 /nfs/dbraw/zinc/29/66/46/1405296646.db2.gz ZOCFIIDABVABKF-OTWHNJEPSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001691485934 1405296649 /nfs/dbraw/zinc/29/66/49/1405296649.db2.gz ZOCFIIDABVABKF-OTWHNJEPSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C/C=C/Cl)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691760315 1405476412 /nfs/dbraw/zinc/47/64/12/1405476412.db2.gz ROUFKWUVLMVWCI-OGNIYVCYSA-N 1 3 343.943 3.076 10 0 EGAEHO CC(C)N(C/C=C/Cl)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691760313 1405476519 /nfs/dbraw/zinc/47/65/19/1405476519.db2.gz ROUFKWUVLMVWCI-DTIZEGCPSA-N 1 3 343.943 3.076 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812817 1405525391 /nfs/dbraw/zinc/52/53/91/1405525391.db2.gz DEQYSNUFJXHRAR-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001691812817 1405525395 /nfs/dbraw/zinc/52/53/95/1405525395.db2.gz DEQYSNUFJXHRAR-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001691853550 1405570163 /nfs/dbraw/zinc/57/01/63/1405570163.db2.gz YTMLCFSPPPLQMH-RTBURBONSA-N 1 3 335.536 3.140 10 0 EGAEHO CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001691853550 1405570169 /nfs/dbraw/zinc/57/01/69/1405570169.db2.gz YTMLCFSPPPLQMH-RTBURBONSA-N 1 3 335.536 3.140 10 0 EGAEHO CCCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001692280148 1405914834 /nfs/dbraw/zinc/91/48/34/1405914834.db2.gz PWPNZKQLTSGIML-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001692280148 1405914838 /nfs/dbraw/zinc/91/48/38/1405914838.db2.gz PWPNZKQLTSGIML-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692330033 1405948601 /nfs/dbraw/zinc/94/86/01/1405948601.db2.gz SRNOGFNUFTXLTE-BGEOSOQGSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578419 1406188708 /nfs/dbraw/zinc/18/87/08/1406188708.db2.gz UKDZARVRYWRMBA-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578419 1406188711 /nfs/dbraw/zinc/18/87/11/1406188711.db2.gz UKDZARVRYWRMBA-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036559 1428257911 /nfs/dbraw/zinc/25/79/11/1428257911.db2.gz GRWASPRVFRPXHN-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO CCCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001732036559 1428257915 /nfs/dbraw/zinc/25/79/15/1428257915.db2.gz GRWASPRVFRPXHN-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001732050133 1428288554 /nfs/dbraw/zinc/28/85/54/1428288554.db2.gz QFDKBFUZAWUENS-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001732050133 1428288555 /nfs/dbraw/zinc/28/85/55/1428288555.db2.gz QFDKBFUZAWUENS-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001732085932 1428345989 /nfs/dbraw/zinc/34/59/89/1428345989.db2.gz BZSMMOBZMYVMHQ-HCZHMGAMSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001732085932 1428345992 /nfs/dbraw/zinc/34/59/92/1428345992.db2.gz BZSMMOBZMYVMHQ-HCZHMGAMSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732213332 1428461337 /nfs/dbraw/zinc/46/13/37/1428461337.db2.gz YBWZDUSIBMHMNE-APWZRJJASA-N 1 3 343.531 3.120 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001699101851 1412510619 /nfs/dbraw/zinc/51/06/19/1412510619.db2.gz YFGDDVKFLUHART-QUCCMNQESA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001699101459 1412510756 /nfs/dbraw/zinc/51/07/56/1412510756.db2.gz WUOIDNDEIUKAES-QGZVFWFLSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001700142619 1413564767 /nfs/dbraw/zinc/56/47/67/1413564767.db2.gz BPHNUIYGKMXRKG-CALCHBBNSA-N 1 3 337.552 3.314 10 0 EGAEHO CCc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700179028 1413589364 /nfs/dbraw/zinc/58/93/64/1413589364.db2.gz MWOIYEJTXYWBCM-WOJBJXKFSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001700179028 1413589366 /nfs/dbraw/zinc/58/93/66/1413589366.db2.gz MWOIYEJTXYWBCM-WOJBJXKFSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001700184324 1413602666 /nfs/dbraw/zinc/60/26/66/1413602666.db2.gz KHFJJOOGGLXXPT-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001700184324 1413602667 /nfs/dbraw/zinc/60/26/67/1413602667.db2.gz KHFJJOOGGLXXPT-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227698 1413683029 /nfs/dbraw/zinc/68/30/29/1413683029.db2.gz SNMVSAORJXFIBH-OLEQZPESSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227698 1413683031 /nfs/dbraw/zinc/68/30/31/1413683031.db2.gz SNMVSAORJXFIBH-OLEQZPESSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001700229502 1413687522 /nfs/dbraw/zinc/68/75/22/1413687522.db2.gz KLTPHKUVPFAMNS-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001700229502 1413687523 /nfs/dbraw/zinc/68/75/23/1413687523.db2.gz KLTPHKUVPFAMNS-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)C1(C(=O)N2CCC(C)([NH2+]CCCC3CCCC3)CC2)CCC1 ZINC001700281090 1413725889 /nfs/dbraw/zinc/72/58/89/1413725889.db2.gz JDBAEMCOAYEUOD-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1)C1CCC1 ZINC001700344458 1413830758 /nfs/dbraw/zinc/83/07/58/1413830758.db2.gz CHAXCHRWLOOLCQ-FQEVSTJZSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1)CC(C)(C)C ZINC001700514403 1414165064 /nfs/dbraw/zinc/16/50/64/1414165064.db2.gz QTWSLNHVBVBHMA-DHZHZOJOSA-N 1 3 343.943 3.126 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001700578205 1414255420 /nfs/dbraw/zinc/25/54/20/1414255420.db2.gz NAGFROSMGMIQQR-IBGZPJMESA-N 1 3 345.531 3.054 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001700578205 1414255423 /nfs/dbraw/zinc/25/54/23/1414255423.db2.gz NAGFROSMGMIQQR-IBGZPJMESA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001700753166 1414423420 /nfs/dbraw/zinc/42/34/20/1414423420.db2.gz SWDHPZNIOYXPOX-MSOLQXFVSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001700853980 1414501514 /nfs/dbraw/zinc/50/15/14/1414501514.db2.gz OWFSUGDHPAQSPS-YLJYHZDGSA-N 1 3 345.531 3.377 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001701000816 1414653040 /nfs/dbraw/zinc/65/30/40/1414653040.db2.gz FPEYRCWIZDHSNO-ABHNRTSZSA-N 1 3 339.568 3.273 10 0 EGAEHO CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732797671 1428977728 /nfs/dbraw/zinc/97/77/28/1428977728.db2.gz MWCRPWJXSRJJAB-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001732895893 1429033525 /nfs/dbraw/zinc/03/35/25/1429033525.db2.gz WGXMRTJCDOKZQE-ABCZVMIZSA-N 1 3 349.906 3.005 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CN2CCC(C)CC2)c1 ZINC001732915386 1429045725 /nfs/dbraw/zinc/04/57/25/1429045725.db2.gz USOCUYFHQZDTRP-HMECNJMJSA-N 1 3 343.515 3.050 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCC2CCCC2)CCC1)N1CCCC1 ZINC001733720612 1429941467 /nfs/dbraw/zinc/94/14/67/1429941467.db2.gz KFDMGFQBKLHXBV-UHFFFAOYSA-N 1 3 335.536 3.070 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)N1CCCCCC1 ZINC001707070720 1417183305 /nfs/dbraw/zinc/18/33/05/1417183305.db2.gz DSSQGBXBWAJGPR-OKZBNKHCSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001707171664 1417228832 /nfs/dbraw/zinc/22/88/32/1417228832.db2.gz CGKJEWJYZDIOOO-UYAOXDASSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C/C=C/c2ccccc2)[C@@H]1C ZINC001707263205 1417271753 /nfs/dbraw/zinc/27/17/53/1417271753.db2.gz HADJEWZPOCWSSW-YGQKLEOUSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C/C=C/c2ccccc2)[C@@H]1C ZINC001707263205 1417271754 /nfs/dbraw/zinc/27/17/54/1417271754.db2.gz HADJEWZPOCWSSW-YGQKLEOUSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1F ZINC001707436365 1417341077 /nfs/dbraw/zinc/34/10/77/1417341077.db2.gz OVEHUZGDDSOBTC-VQIMIIECSA-N 1 3 349.494 3.025 10 0 EGAEHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)cc1C ZINC001713201576 1417771866 /nfs/dbraw/zinc/77/18/66/1417771866.db2.gz XMVYJIWYLIDYFM-KDURUIRLSA-N 1 3 345.531 3.018 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001713232582 1417819077 /nfs/dbraw/zinc/81/90/77/1417819077.db2.gz AHKFUGLXHXGOQD-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239355 1417825483 /nfs/dbraw/zinc/82/54/83/1417825483.db2.gz SQVCQKPLCSQIJG-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239356 1417825621 /nfs/dbraw/zinc/82/56/21/1417825621.db2.gz SQVCQKPLCSQIJG-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001713400725 1418022775 /nfs/dbraw/zinc/02/27/75/1418022775.db2.gz KAIXQVCPQSZRJI-APWZRJJASA-N 1 3 349.494 3.150 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001713400725 1418022781 /nfs/dbraw/zinc/02/27/81/1418022781.db2.gz KAIXQVCPQSZRJI-APWZRJJASA-N 1 3 349.494 3.150 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515100 1418249274 /nfs/dbraw/zinc/24/92/74/1418249274.db2.gz OJUVXKMDWGZRPH-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCCCCC1 ZINC001713515100 1418249281 /nfs/dbraw/zinc/24/92/81/1418249281.db2.gz OJUVXKMDWGZRPH-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897313 1418695737 /nfs/dbraw/zinc/69/57/37/1418695737.db2.gz QHWCLJMTDYLVET-LJQANCHMSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897313 1418695740 /nfs/dbraw/zinc/69/57/40/1418695740.db2.gz QHWCLJMTDYLVET-LJQANCHMSA-N 1 3 337.552 3.079 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1 ZINC001714253283 1419038091 /nfs/dbraw/zinc/03/80/91/1419038091.db2.gz JHVDQZBUEWANKT-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1)N1CCCC1 ZINC001714500297 1419226316 /nfs/dbraw/zinc/22/63/16/1419226316.db2.gz KFAHKLNEKZBXBR-UHFFFAOYSA-N 1 3 349.544 3.141 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCC3CCCCC3)C2)CC1 ZINC001714523858 1419249525 /nfs/dbraw/zinc/24/95/25/1419249525.db2.gz RTXIYJRCHUOMRX-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CN(CC(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C/Cl)CC(C)(C)C ZINC001714527356 1419253171 /nfs/dbraw/zinc/25/31/71/1419253171.db2.gz MUPCDPWCVMAMEW-JCVNQNCUSA-N 1 3 343.943 3.078 10 0 EGAEHO CN(CC(=O)NCCC[C@H]1CCC[N@H+]1C/C=C/Cl)CC(C)(C)C ZINC001714527356 1419253172 /nfs/dbraw/zinc/25/31/72/1419253172.db2.gz MUPCDPWCVMAMEW-JCVNQNCUSA-N 1 3 343.943 3.078 10 0 EGAEHO CCN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1cccc(F)c1 ZINC001714585628 1419327400 /nfs/dbraw/zinc/32/74/00/1419327400.db2.gz YYRPBRLXRGXOJC-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1cccc(F)c1 ZINC001714585628 1419327403 /nfs/dbraw/zinc/32/74/03/1419327403.db2.gz YYRPBRLXRGXOJC-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001714650276 1419427683 /nfs/dbraw/zinc/42/76/83/1419427683.db2.gz RETVVIKKWQUCLN-MOPGFXCFSA-N 1 3 345.531 3.144 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001714650276 1419427686 /nfs/dbraw/zinc/42/76/86/1419427686.db2.gz RETVVIKKWQUCLN-MOPGFXCFSA-N 1 3 345.531 3.144 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccsc1 ZINC001714656025 1419438118 /nfs/dbraw/zinc/43/81/18/1419438118.db2.gz UQHITMNEZJALIC-MSOLQXFVSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccsc1 ZINC001714656025 1419438120 /nfs/dbraw/zinc/43/81/20/1419438120.db2.gz UQHITMNEZJALIC-MSOLQXFVSA-N 1 3 349.544 3.093 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226544 1429353608 /nfs/dbraw/zinc/35/36/08/1429353608.db2.gz OLZZQGLILBSSSK-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226544 1429353614 /nfs/dbraw/zinc/35/36/14/1429353614.db2.gz OLZZQGLILBSSSK-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCN1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226544 1429353620 /nfs/dbraw/zinc/35/36/20/1429353620.db2.gz OLZZQGLILBSSSK-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071078 1419806325 /nfs/dbraw/zinc/80/63/25/1419806325.db2.gz BOZIBQVJJIVNAW-VQIMIIECSA-N 1 3 349.494 3.075 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001715104274 1419845544 /nfs/dbraw/zinc/84/55/44/1419845544.db2.gz RAJLWYRLOLDXGD-ROUUACIJSA-N 1 3 343.515 3.078 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001715189689 1419921889 /nfs/dbraw/zinc/92/18/89/1419921889.db2.gz NFXARSOSNHDVNS-FHWLQOOXSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)N1CCCC1 ZINC001715396685 1420094587 /nfs/dbraw/zinc/09/45/87/1420094587.db2.gz ZSOMHFAYQBJIKF-QGZVFWFLSA-N 1 3 339.568 3.418 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715433347 1420121455 /nfs/dbraw/zinc/12/14/55/1420121455.db2.gz BWFWZACWGNMYIQ-IEBWSBKVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001716028050 1420485316 /nfs/dbraw/zinc/48/53/16/1420485316.db2.gz IISYOXHIMHZYPO-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001716028050 1420485318 /nfs/dbraw/zinc/48/53/18/1420485318.db2.gz IISYOXHIMHZYPO-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)CCC1 ZINC001717309094 1421251345 /nfs/dbraw/zinc/25/13/45/1421251345.db2.gz FCKUFZPPEWGXHK-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)CC2(C)C)CCC1 ZINC001717309094 1421251347 /nfs/dbraw/zinc/25/13/47/1421251347.db2.gz FCKUFZPPEWGXHK-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C\CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001717354595 1421288885 /nfs/dbraw/zinc/28/88/85/1421288885.db2.gz HFJZLWDAJOODMY-AQWUKCDYSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001717354595 1421288887 /nfs/dbraw/zinc/28/88/87/1421288887.db2.gz HFJZLWDAJOODMY-AQWUKCDYSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCC2CCCCC2)C1 ZINC001717370147 1421307740 /nfs/dbraw/zinc/30/77/40/1421307740.db2.gz CDQRFSDALUVKFI-ICSRJNTNSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CCCCC2)C1 ZINC001717370147 1421307743 /nfs/dbraw/zinc/30/77/43/1421307743.db2.gz CDQRFSDALUVKFI-ICSRJNTNSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]CC2CC(NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001717384805 1421325667 /nfs/dbraw/zinc/32/56/67/1421325667.db2.gz MMJRDQPKOLLLKU-LRYGQEGESA-N 1 3 343.515 3.025 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895001 1421692832 /nfs/dbraw/zinc/69/28/32/1421692832.db2.gz BTGRXWINKGSUDF-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)CN(C)C1CCC1 ZINC001717948660 1421715949 /nfs/dbraw/zinc/71/59/49/1421715949.db2.gz VLMUACCMEBFRIV-UHFFFAOYSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)CN(C)C1CCC1 ZINC001717948660 1421715951 /nfs/dbraw/zinc/71/59/51/1421715951.db2.gz VLMUACCMEBFRIV-UHFFFAOYSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001733426508 1429633796 /nfs/dbraw/zinc/63/37/96/1429633796.db2.gz SZLNXULDCSMFQX-PXNSSMCTSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001733449195 1429660254 /nfs/dbraw/zinc/66/02/54/1429660254.db2.gz ZZCNPGWIJZEYSN-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001733458958 1429680889 /nfs/dbraw/zinc/68/08/89/1429680889.db2.gz JTHDDRIPNGUNRS-ABDUDLSGSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001733458958 1429680890 /nfs/dbraw/zinc/68/08/90/1429680890.db2.gz JTHDDRIPNGUNRS-ABDUDLSGSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001733513427 1429721502 /nfs/dbraw/zinc/72/15/02/1429721502.db2.gz LAIZJVQQGPBFRY-SFHVURJKSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533234 1429739983 /nfs/dbraw/zinc/73/99/83/1429739983.db2.gz ITBRWSIYYUKIGJ-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001724176684 1424713077 /nfs/dbraw/zinc/71/30/77/1424713077.db2.gz XTFANXAKNIXAQG-XZZFYQAUSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001724176684 1424713082 /nfs/dbraw/zinc/71/30/82/1424713082.db2.gz XTFANXAKNIXAQG-XZZFYQAUSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001724612342 1424955346 /nfs/dbraw/zinc/95/53/46/1424955346.db2.gz HJFJQACNLFZJHS-FHWLQOOXSA-N 1 3 337.552 3.173 10 0 EGAEHO C[C@@H](NCc1ccsc1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001724748946 1425118328 /nfs/dbraw/zinc/11/83/28/1425118328.db2.gz LOYRGCJDTJNZGY-OAHLLOKOSA-N 1 3 345.512 3.167 10 0 EGAEHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045515 1425475404 /nfs/dbraw/zinc/47/54/04/1425475404.db2.gz ZFOKRJIBHVVDOM-ROUUACIJSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045515 1425475405 /nfs/dbraw/zinc/47/54/05/1425475405.db2.gz ZFOKRJIBHVVDOM-ROUUACIJSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001725105617 1425555506 /nfs/dbraw/zinc/55/55/06/1425555506.db2.gz GTRBNMREJPSGEU-HZPDHXFCSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)CC[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001725226698 1425795455 /nfs/dbraw/zinc/79/54/55/1425795455.db2.gz CTCVOYFXGRBSFN-ROUUACIJSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001725524039 1426215080 /nfs/dbraw/zinc/21/50/80/1426215080.db2.gz NONGAUDWUHLYKS-MRXNPFEDSA-N 1 3 345.531 3.235 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684638 1426371957 /nfs/dbraw/zinc/37/19/57/1426371957.db2.gz RPMRZQVXFFFUTK-QAPCUYQASA-N 1 3 349.494 3.054 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)CN(C)C1CCC1 ZINC001725728268 1426393828 /nfs/dbraw/zinc/39/38/28/1426393828.db2.gz NXHBBVHKEKHWLO-GOSISDBHSA-N 1 3 345.531 3.401 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)CN(C)C1CCC1 ZINC001725728268 1426393836 /nfs/dbraw/zinc/39/38/36/1426393836.db2.gz NXHBBVHKEKHWLO-GOSISDBHSA-N 1 3 345.531 3.401 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736698 1426411153 /nfs/dbraw/zinc/41/11/53/1426411153.db2.gz DEMQRQWUEBVGNS-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)CCC1 ZINC001725739331 1426414466 /nfs/dbraw/zinc/41/44/66/1426414466.db2.gz MZWUPTDUEWPKDS-KRWDZBQOSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C)N(C)C ZINC001725746563 1426424004 /nfs/dbraw/zinc/42/40/04/1426424004.db2.gz OQKAFTLFBMXFFY-RTBURBONSA-N 1 3 347.547 3.264 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001731518640 1427506343 /nfs/dbraw/zinc/50/63/43/1427506343.db2.gz KVNLZXPOXPWKPH-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692944 1427741617 /nfs/dbraw/zinc/74/16/17/1427741617.db2.gz QCLQGPINRPAYOM-RBUKOAKNSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001733684909 1429900306 /nfs/dbraw/zinc/90/03/06/1429900306.db2.gz QMMPVHNEVNIWLT-QZTJIDSGSA-N 1 3 345.531 3.341 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]C/C=C\c2ccccc2)CC1 ZINC001733869483 1437696062 /nfs/dbraw/zinc/69/60/62/1437696062.db2.gz JXNRIBSFIHZEOV-FLIBITNWSA-N 1 3 343.515 3.011 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](C[C@H](C)CC)CC2 ZINC001733911373 1437729544 /nfs/dbraw/zinc/72/95/44/1437729544.db2.gz PPDAXJYTOFMAHY-GOSISDBHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1 ZINC001733959980 1437766150 /nfs/dbraw/zinc/76/61/50/1437766150.db2.gz LTXHIQCWKJHOGF-DAWZGUTISA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001734098804 1437882791 /nfs/dbraw/zinc/88/27/91/1437882791.db2.gz DRSOCRNQEQEUGY-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001734098804 1437882795 /nfs/dbraw/zinc/88/27/95/1437882795.db2.gz DRSOCRNQEQEUGY-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001734441364 1438103799 /nfs/dbraw/zinc/10/37/99/1438103799.db2.gz CKMULXSZKNZUMM-MISYRCLQSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001734611763 1438187164 /nfs/dbraw/zinc/18/71/64/1438187164.db2.gz LERDGSVMVUBBOQ-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](NCc1ccc(CO)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000178562520 232258578 /nfs/dbraw/zinc/25/85/78/232258578.db2.gz CZKIRPDDMNBQDS-OAHLLOKOSA-N 1 3 346.446 3.109 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(OCCN(C)C)cc1 ZINC000246835203 141037981 /nfs/dbraw/zinc/03/79/81/141037981.db2.gz BHRBTZORXSKNAB-OBZTUIKSSA-N 1 3 332.488 3.235 10 0 EGAEHO c1ccc(CN2CCC[C@@H]([NH2+]C3CC(N4CCCCC4)C3)C2)cc1 ZINC000355610856 166260218 /nfs/dbraw/zinc/26/02/18/166260218.db2.gz RPINFDOJYJWRIA-QNGMFEMESA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCC[C@@H](NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000355610856 166260223 /nfs/dbraw/zinc/26/02/23/166260223.db2.gz RPINFDOJYJWRIA-QNGMFEMESA-N 1 3 327.516 3.258 10 0 EGAEHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000246191213 278550643 /nfs/dbraw/zinc/55/06/43/278550643.db2.gz DDTJFXDWMALJOV-VAMGGRTRSA-N 1 3 343.515 3.093 10 0 EGAEHO Cc1ccc2nccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000302180010 308732191 /nfs/dbraw/zinc/73/21/91/308732191.db2.gz YZLWSBUKYRNQIC-MRXNPFEDSA-N 1 3 325.456 3.456 10 0 EGAEHO OC1(C[NH2+][C@@H]2CCCC23CCC3)CCN(Cc2ccccc2)CC1 ZINC000397583448 308904648 /nfs/dbraw/zinc/90/46/48/308904648.db2.gz HUHQHWOIBQHOMN-LJQANCHMSA-N 1 3 328.500 3.326 10 0 EGAEHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000415131023 309122696 /nfs/dbraw/zinc/12/26/96/309122696.db2.gz RSTDEYZVFBMGGE-CTNGQTDRSA-N 1 3 344.499 3.194 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000415957805 309151142 /nfs/dbraw/zinc/15/11/42/309151142.db2.gz PVISPDHJTANLEE-INIZCTEOSA-N 1 3 332.492 3.038 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422921205 309376155 /nfs/dbraw/zinc/37/61/55/309376155.db2.gz NRIMHPMVADYCSH-QUCCMNQESA-N 1 3 336.483 3.385 10 0 EGAEHO CCC1(CC)[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1OC ZINC000422945324 309377557 /nfs/dbraw/zinc/37/75/57/309377557.db2.gz UCNAORHEWKJWTD-AFYVEPGGSA-N 1 3 344.499 3.426 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cn(C)nc1-c1ccccc1 ZINC000423029216 309381769 /nfs/dbraw/zinc/38/17/69/309381769.db2.gz HSTOFZXTJFWOBK-AWEZNQCLSA-N 1 3 335.455 3.100 10 0 EGAEHO [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093082 309385475 /nfs/dbraw/zinc/38/54/75/309385475.db2.gz FSJFIFOXWFAESN-LWWSYDQCSA-N 1 3 327.241 3.304 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOCC1CCCC1 ZINC000423157368 309388656 /nfs/dbraw/zinc/38/86/56/309388656.db2.gz ARHULHGZDDFTQJ-ICSRJNTNSA-N 1 3 330.472 3.039 10 0 EGAEHO COc1cc(C)c([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1OC ZINC000423185550 309389467 /nfs/dbraw/zinc/38/94/67/309389467.db2.gz JNWNCFBFEQHMAE-MRXNPFEDSA-N 1 3 343.471 3.238 10 0 EGAEHO Cc1c([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255039 309392504 /nfs/dbraw/zinc/39/25/04/309392504.db2.gz ANFHLCQRHPGEOG-HIFRSBDPSA-N 1 3 347.894 3.269 10 0 EGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423276932 309393872 /nfs/dbraw/zinc/39/38/72/309393872.db2.gz NPQDGOPZYPZXQW-WHZJULEDSA-N 1 3 327.516 3.289 10 0 EGAEHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438991077 309824182 /nfs/dbraw/zinc/82/41/82/309824182.db2.gz LUHSSRANHHFRAX-OAHLLOKOSA-N 1 3 347.503 3.426 10 0 EGAEHO CN1CCC(C[NH2+]C2CCC(C(F)F)CC2)(N2CCCCC2)CC1 ZINC000442773244 309886880 /nfs/dbraw/zinc/88/68/80/309886880.db2.gz WWIAAWLYRMORKY-UHFFFAOYSA-N 1 3 343.506 3.350 10 0 EGAEHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCOCCN(C)C)cc1 ZINC000447604053 309984151 /nfs/dbraw/zinc/98/41/51/309984151.db2.gz YJYYCBWWQZBXCM-UXHICEINSA-N 1 3 334.504 3.278 10 0 EGAEHO CC[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)[NH+](CC)CC ZINC000447722218 309986707 /nfs/dbraw/zinc/98/67/07/309986707.db2.gz IWIBAUJCKSAFIS-IRXDYDNUSA-N 1 3 333.476 3.131 10 0 EGAEHO CCN(CC)[C@H](C)C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449075471 310035058 /nfs/dbraw/zinc/03/50/58/310035058.db2.gz RGTMVFDAEBWKQU-RBUKOAKNSA-N 1 3 331.548 3.402 10 0 EGAEHO Cc1nn(C)c(C)c1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449117329 310038263 /nfs/dbraw/zinc/03/82/63/310038263.db2.gz OHTNFRWMSUGZIR-MRXNPFEDSA-N 1 3 340.515 3.222 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000449184851 310043035 /nfs/dbraw/zinc/04/30/35/310043035.db2.gz AKYUCEFCGIIRDA-JBYIUTFZSA-N 1 3 341.543 3.154 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](O)C(F)F ZINC000449421356 310060581 /nfs/dbraw/zinc/06/05/81/310060581.db2.gz IMNNAKCPVXFAPQ-MXASKKJJSA-N 1 3 326.431 3.034 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](O)C(F)F ZINC000449421356 310060582 /nfs/dbraw/zinc/06/05/82/310060582.db2.gz IMNNAKCPVXFAPQ-MXASKKJJSA-N 1 3 326.431 3.034 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(CC)OC)CC1 ZINC000449478376 310065385 /nfs/dbraw/zinc/06/53/85/310065385.db2.gz RQUANUZJXNPYDG-HXUWFJFHSA-N 1 3 333.520 3.123 10 0 EGAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CF)CCOCC2)CC1 ZINC000449488242 310066350 /nfs/dbraw/zinc/06/63/50/310066350.db2.gz FCLPDYOEFRHWLS-AEFFLSMTSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488242 310066351 /nfs/dbraw/zinc/06/63/51/310066351.db2.gz FCLPDYOEFRHWLS-AEFFLSMTSA-N 1 3 326.500 3.385 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449508072 310067737 /nfs/dbraw/zinc/06/77/37/310067737.db2.gz GNTVLKRZNDZAJE-AITUJVMLSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449508072 310067738 /nfs/dbraw/zinc/06/77/38/310067738.db2.gz GNTVLKRZNDZAJE-AITUJVMLSA-N 1 3 336.520 3.351 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](CC/C=C/c3ccccc3)CC2)CC1 ZINC000450744008 310140456 /nfs/dbraw/zinc/14/04/56/310140456.db2.gz KHPXYNQMWRLOOO-UXBLZVDNSA-N 1 3 341.543 3.439 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000516464915 312324822 /nfs/dbraw/zinc/32/48/22/312324822.db2.gz GXLNNNKEJSGOPJ-VQTJNVASSA-N 1 3 339.483 3.220 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000516464915 312324825 /nfs/dbraw/zinc/32/48/25/312324825.db2.gz GXLNNNKEJSGOPJ-VQTJNVASSA-N 1 3 339.483 3.220 10 0 EGAEHO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000521322574 312541325 /nfs/dbraw/zinc/54/13/25/312541325.db2.gz XZULLXCHRAYHTF-QUCCMNQESA-N 1 3 333.564 3.328 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000521322573 312541363 /nfs/dbraw/zinc/54/13/63/312541363.db2.gz XZULLXCHRAYHTF-ICSRJNTNSA-N 1 3 333.564 3.328 10 0 EGAEHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000570562528 317073354 /nfs/dbraw/zinc/07/33/54/317073354.db2.gz UFVXFHBEPDEUOT-WOJBJXKFSA-N 1 3 332.488 3.132 10 0 EGAEHO CC[C@@H]1CCCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571652778 317229624 /nfs/dbraw/zinc/22/96/24/317229624.db2.gz BSVDTCXBMOAHLI-LJQANCHMSA-N 1 3 349.563 3.364 10 0 EGAEHO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245776161 455377700 /nfs/dbraw/zinc/37/77/00/455377700.db2.gz YDCAOSUNBYUWKH-QGAVKGNSSA-N 1 3 348.490 3.430 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513093 454157264 /nfs/dbraw/zinc/15/72/64/454157264.db2.gz PTFVWTCJMQBSQT-VQIMIIECSA-N 1 3 343.515 3.029 10 0 EGAEHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1OC ZINC000133118463 454394223 /nfs/dbraw/zinc/39/42/23/454394223.db2.gz JYGRVNVLFSSYJB-APWZRJJASA-N 1 3 332.488 3.237 10 0 EGAEHO Cc1cccc2c1C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)CO2 ZINC000623607498 460637344 /nfs/dbraw/zinc/63/73/44/460637344.db2.gz HUNZNHLBHSLNRU-SFHVURJKSA-N 1 3 340.467 3.029 10 0 EGAEHO CCN(Cc1ccccc1)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123185659 454611767 /nfs/dbraw/zinc/61/17/67/454611767.db2.gz SALKJXIJNRYUEJ-UHFFFAOYSA-N 1 3 345.531 3.089 10 0 EGAEHO C[C@H](NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123609694 454657253 /nfs/dbraw/zinc/65/72/53/454657253.db2.gz DGNLURGSJCAYBP-ROUUACIJSA-N 1 3 345.531 3.306 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000081096797 454687169 /nfs/dbraw/zinc/68/71/69/454687169.db2.gz VFJQAULGJMGZJF-PBHICJAKSA-N 1 3 344.455 3.382 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000081096797 454687173 /nfs/dbraw/zinc/68/71/73/454687173.db2.gz VFJQAULGJMGZJF-PBHICJAKSA-N 1 3 344.455 3.382 10 0 EGAEHO CN1CCC(C[NH2+][C@H]2CCc3ccccc32)(N2CCCCC2)CC1 ZINC000124653054 454756907 /nfs/dbraw/zinc/75/69/07/454756907.db2.gz MOHGYQZRGUKOFJ-FQEVSTJZSA-N 1 3 327.516 3.214 10 0 EGAEHO CCN1CC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271314 454835300 /nfs/dbraw/zinc/83/53/00/454835300.db2.gz YZNJOOAVUOVPRG-QGZVFWFLSA-N 1 3 335.923 3.236 10 0 EGAEHO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000180080333 455128878 /nfs/dbraw/zinc/12/88/78/455128878.db2.gz SFGVJZHXUOQOTL-LJQANCHMSA-N 1 3 340.467 3.355 10 0 EGAEHO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000180080333 455128881 /nfs/dbraw/zinc/12/88/81/455128881.db2.gz SFGVJZHXUOQOTL-LJQANCHMSA-N 1 3 340.467 3.355 10 0 EGAEHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C1CC1 ZINC000180137959 455138190 /nfs/dbraw/zinc/13/81/90/455138190.db2.gz HLABVCPMWARIRF-TYGFWLQKSA-N 1 3 327.516 3.254 10 0 EGAEHO C[NH+](C)CCC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000264852987 455292510 /nfs/dbraw/zinc/29/25/10/455292510.db2.gz CHWNDDGURHOZSP-UHFFFAOYSA-N 1 3 343.515 3.086 10 0 EGAEHO C[C@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530886 455303604 /nfs/dbraw/zinc/30/36/04/455303604.db2.gz RLJIPYGNQJBSJW-IRXDYDNUSA-N 1 3 349.563 3.124 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000245746799 455372238 /nfs/dbraw/zinc/37/22/38/455372238.db2.gz SRDOTJUQADLQDH-BLKABHOGSA-N 1 3 339.527 3.256 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000265919025 455406751 /nfs/dbraw/zinc/40/67/51/455406751.db2.gz BOYYSAGWXLJDJL-YLJYHZDGSA-N 1 3 345.531 3.473 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000265919025 455406754 /nfs/dbraw/zinc/40/67/54/455406754.db2.gz BOYYSAGWXLJDJL-YLJYHZDGSA-N 1 3 345.531 3.473 10 0 EGAEHO C(N1C[C@@H]2CCCC[C@H]2C1)C1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219966 455464839 /nfs/dbraw/zinc/46/48/39/455464839.db2.gz KQQJUBWPYMADRW-LWYYNNOASA-N 1 3 332.532 3.247 10 0 EGAEHO C(N1C[C@@H]2CCCC[C@H]2C1)C1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219966 455464846 /nfs/dbraw/zinc/46/48/46/455464846.db2.gz KQQJUBWPYMADRW-LWYYNNOASA-N 1 3 332.532 3.247 10 0 EGAEHO C(N1C[C@@H]2CCCC[C@@H]2C1)C1(C[NH+]2C[C@@H]3CCCC[C@H]3C2)COC1 ZINC000182219966 455464852 /nfs/dbraw/zinc/46/48/52/455464852.db2.gz KQQJUBWPYMADRW-LWYYNNOASA-N 1 3 332.532 3.247 10 0 EGAEHO CCN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205048 455573483 /nfs/dbraw/zinc/57/34/83/455573483.db2.gz WOLGFSLPPZEUFC-RXVVDRJESA-N 1 3 329.532 3.279 10 0 EGAEHO COc1ccc(CCN(CC(C)C)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000262042060 455989551 /nfs/dbraw/zinc/98/95/51/455989551.db2.gz PFNZOVUEBJRIDS-HXUWFJFHSA-N 1 3 334.504 3.204 10 0 EGAEHO CO[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000188309461 456040981 /nfs/dbraw/zinc/04/09/81/456040981.db2.gz IHKBPJMWKWQVDX-UTKZUKDTSA-N 1 3 345.531 3.074 10 0 EGAEHO CC(=O)N1CC[C@H]([NH2+]CCCN2CCC[C@@H](C)C2)c2ccccc2C1 ZINC000222197557 456046617 /nfs/dbraw/zinc/04/66/17/456046617.db2.gz PRTMOXDYVKZOMO-UTKZUKDTSA-N 1 3 343.515 3.192 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000352821876 456335873 /nfs/dbraw/zinc/33/58/73/456335873.db2.gz BLEOZKOURKHEAG-LPHOPBHVSA-N 1 3 343.515 3.060 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000352823506 456339989 /nfs/dbraw/zinc/33/99/89/456339989.db2.gz NPSWDTIJGVPFDC-AZUAARDMSA-N 1 3 342.531 3.176 10 0 EGAEHO CC(C)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282453432 456519397 /nfs/dbraw/zinc/51/93/97/456519397.db2.gz VEJKESMOCWCKSA-GOSISDBHSA-N 1 3 339.474 3.278 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c(O[C@@H]2CCOC2)c1 ZINC000353407918 456682191 /nfs/dbraw/zinc/68/21/91/456682191.db2.gz SWSXFOCCOWAVFY-IYWMVGAKSA-N 1 3 344.499 3.125 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)o1 ZINC000353494362 456713154 /nfs/dbraw/zinc/71/31/54/456713154.db2.gz BOYVXNJVCITSCN-YRXWBPOGSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)o1 ZINC000353494362 456713157 /nfs/dbraw/zinc/71/31/57/456713157.db2.gz BOYVXNJVCITSCN-YRXWBPOGSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)N2CCCC2)o1 ZINC000353494362 456713159 /nfs/dbraw/zinc/71/31/59/456713159.db2.gz BOYVXNJVCITSCN-YRXWBPOGSA-N 1 3 331.504 3.187 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000350692483 457198399 /nfs/dbraw/zinc/19/83/99/457198399.db2.gz MBJBHNHSDCXDPR-UXHICEINSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000350692483 457198406 /nfs/dbraw/zinc/19/84/06/457198406.db2.gz MBJBHNHSDCXDPR-UXHICEINSA-N 1 3 343.515 3.204 10 0 EGAEHO OC1(C[NH2+]Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 ZINC000397633845 457489808 /nfs/dbraw/zinc/48/98/08/457489808.db2.gz OTSSVOXXZSUSKQ-UHFFFAOYSA-N 1 3 344.886 3.457 10 0 EGAEHO c1nc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503335 /nfs/dbraw/zinc/50/33/35/457503335.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 1 3 330.520 3.275 10 0 EGAEHO c1nc([C@H]2CCC[N@@H+](CCCN3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503341 /nfs/dbraw/zinc/50/33/41/457503341.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 1 3 330.520 3.275 10 0 EGAEHO c1nc([C@H]2CCC[N@H+](CCCN3CCCCC3)C2)n2c1CCCC2 ZINC000370016220 457503350 /nfs/dbraw/zinc/50/33/50/457503350.db2.gz AQJCGJUIZZXUID-SFHVURJKSA-N 1 3 330.520 3.275 10 0 EGAEHO COC(=O)c1ccccc1CC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000361407110 457720795 /nfs/dbraw/zinc/72/07/95/457720795.db2.gz CJQXJIIQFBZBDS-LJQANCHMSA-N 1 3 344.499 3.212 10 0 EGAEHO COC(=O)c1ccccc1CC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000361407110 457720796 /nfs/dbraw/zinc/72/07/96/457720796.db2.gz CJQXJIIQFBZBDS-LJQANCHMSA-N 1 3 344.499 3.212 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000375954103 458137314 /nfs/dbraw/zinc/13/73/14/458137314.db2.gz LKWLGYWJJKRQIU-NRFANRHFSA-N 1 3 347.522 3.205 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000375954103 458137324 /nfs/dbraw/zinc/13/73/24/458137324.db2.gz LKWLGYWJJKRQIU-NRFANRHFSA-N 1 3 347.522 3.205 10 0 EGAEHO CN(C)CCc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000446586162 458200501 /nfs/dbraw/zinc/20/05/01/458200501.db2.gz MXBNJKAIEPCJHI-UHFFFAOYSA-N 1 3 346.519 3.033 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423483573 458439948 /nfs/dbraw/zinc/43/99/48/458439948.db2.gz QHCLKYXHVGRKNF-MKXGPGLRSA-N 1 3 349.469 3.016 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423483573 458439953 /nfs/dbraw/zinc/43/99/53/458439953.db2.gz QHCLKYXHVGRKNF-MKXGPGLRSA-N 1 3 349.469 3.016 10 0 EGAEHO COc1ccccc1C[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423522335 458450867 /nfs/dbraw/zinc/45/08/67/458450867.db2.gz HBGFRAUZCVHFNF-WPIBWQAYSA-N 1 3 328.500 3.369 10 0 EGAEHO COc1ccccc1C[C@@H](C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423522335 458450870 /nfs/dbraw/zinc/45/08/70/458450870.db2.gz HBGFRAUZCVHFNF-WPIBWQAYSA-N 1 3 328.500 3.369 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110803 458495400 /nfs/dbraw/zinc/49/54/00/458495400.db2.gz ZZXOUMNMNWHODZ-VAMGGRTRSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110803 458495402 /nfs/dbraw/zinc/49/54/02/458495402.db2.gz ZZXOUMNMNWHODZ-VAMGGRTRSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN([C@H](C)CC[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110803 458495404 /nfs/dbraw/zinc/49/54/04/458495404.db2.gz ZZXOUMNMNWHODZ-VAMGGRTRSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN([C@H](C)CC[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110803 458495405 /nfs/dbraw/zinc/49/54/05/458495405.db2.gz ZZXOUMNMNWHODZ-VAMGGRTRSA-N 1 3 340.552 3.262 10 0 EGAEHO CCN1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482720 458504970 /nfs/dbraw/zinc/50/49/70/458504970.db2.gz HGXVBNTWAUGRRR-LHUBUQBQSA-N 1 3 347.469 3.112 10 0 EGAEHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCN(C)C(C)C)CC3 ZINC000546604059 458642636 /nfs/dbraw/zinc/64/26/36/458642636.db2.gz GPQDBVRJCQMYSW-OAHLLOKOSA-N 1 3 329.488 3.354 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000463451664 458702382 /nfs/dbraw/zinc/70/23/82/458702382.db2.gz WUANNDIKAQTFRZ-SJORKVTESA-N 1 3 349.485 3.455 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000463451664 458702384 /nfs/dbraw/zinc/70/23/84/458702384.db2.gz WUANNDIKAQTFRZ-SJORKVTESA-N 1 3 349.485 3.455 10 0 EGAEHO CN(CCC(=O)NC(C)(C)CC[NH+]1CCCCCC1)c1ccncc1 ZINC000547502066 458751858 /nfs/dbraw/zinc/75/18/58/458751858.db2.gz FZJIJNQGTFCNIT-UHFFFAOYSA-N 1 3 346.519 3.069 10 0 EGAEHO CSc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000556259936 458942817 /nfs/dbraw/zinc/94/28/17/458942817.db2.gz GBAHJJBTJNWRLH-ZRNYENFQSA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000556259936 458942827 /nfs/dbraw/zinc/94/28/27/458942827.db2.gz GBAHJJBTJNWRLH-ZRNYENFQSA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000556259936 458942832 /nfs/dbraw/zinc/94/28/32/458942832.db2.gz GBAHJJBTJNWRLH-ZRNYENFQSA-N 1 3 347.572 3.474 10 0 EGAEHO COc1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000531693275 458963186 /nfs/dbraw/zinc/96/31/86/458963186.db2.gz BILDPMJEZCFCBK-OAHLLOKOSA-N 1 3 345.487 3.019 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccc(C)o2)CC1 ZINC000532296000 459061819 /nfs/dbraw/zinc/06/18/19/459061819.db2.gz BJFPFYFPTBGZHT-UHFFFAOYSA-N 1 3 341.499 3.452 10 0 EGAEHO OCc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000558559524 459174190 /nfs/dbraw/zinc/17/41/90/459174190.db2.gz HWACWPGJTNNPHW-DKUWSORSSA-N 1 3 336.479 3.464 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000484481476 459415335 /nfs/dbraw/zinc/41/53/35/459415335.db2.gz VGYAZGOETIEMGJ-KXBFYZLASA-N 1 3 340.458 3.234 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](NCCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000484481476 459415345 /nfs/dbraw/zinc/41/53/45/459415345.db2.gz VGYAZGOETIEMGJ-KXBFYZLASA-N 1 3 340.458 3.234 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000569940865 459536557 /nfs/dbraw/zinc/53/65/57/459536557.db2.gz IYBIOPXDJIMBTO-MHRLRVJTSA-N 1 3 341.421 3.099 10 0 EGAEHO Brc1ccc(CNCCC[NH+]2CCC2)c2ncccc12 ZINC000584182821 459675520 /nfs/dbraw/zinc/67/55/20/459675520.db2.gz LSRXEFWFCSAWPK-UHFFFAOYSA-N 1 3 334.261 3.183 10 0 EGAEHO CC(C)(C)OC(=O)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000597240349 459891099 /nfs/dbraw/zinc/89/10/99/459891099.db2.gz WCUNLPSYIICSSW-UHFFFAOYSA-N 1 3 345.487 3.152 10 0 EGAEHO C(=C/C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)\CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777032 460261915 /nfs/dbraw/zinc/26/19/15/460261915.db2.gz XBRGTANPEAPRTG-BXNQOPRTSA-N 1 3 338.586 3.482 10 0 EGAEHO C(=C/C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)\CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777032 460261918 /nfs/dbraw/zinc/26/19/18/460261918.db2.gz XBRGTANPEAPRTG-BXNQOPRTSA-N 1 3 338.586 3.482 10 0 EGAEHO CCN(CC)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355038 460507996 /nfs/dbraw/zinc/50/79/96/460507996.db2.gz VOXFURYLDZCXDM-PMACEKPBSA-N 1 3 331.548 3.402 10 0 EGAEHO CCN(CC)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355038 460508003 /nfs/dbraw/zinc/50/80/03/460508003.db2.gz VOXFURYLDZCXDM-PMACEKPBSA-N 1 3 331.548 3.402 10 0 EGAEHO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000623378668 460517886 /nfs/dbraw/zinc/51/78/86/460517886.db2.gz KWJKWKKEWIEPDS-WBVHZDCISA-N 1 3 329.488 3.337 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCc2nc(-c3ccccn3)cs2)CC1(C)C ZINC000623425638 460542070 /nfs/dbraw/zinc/54/20/70/460542070.db2.gz HFTVWIQAXYKMSP-CQSZACIVSA-N 1 3 330.501 3.210 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCc2nc(-c3ccccn3)cs2)CC1(C)C ZINC000623425638 460542078 /nfs/dbraw/zinc/54/20/78/460542078.db2.gz HFTVWIQAXYKMSP-CQSZACIVSA-N 1 3 330.501 3.210 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000623879267 460758817 /nfs/dbraw/zinc/75/88/17/460758817.db2.gz BSRZHWALMQDADU-UTKZUKDTSA-N 1 3 346.515 3.454 10 0 EGAEHO CCN(Cc1ccc(OC)c(OC)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000662249481 461142018 /nfs/dbraw/zinc/14/20/18/461142018.db2.gz VDTJKWVCHFFXCB-UHFFFAOYSA-N 1 3 340.467 3.372 10 0 EGAEHO Fc1ccc(CC[N@H+](C[C@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662257783 461148559 /nfs/dbraw/zinc/14/85/59/461148559.db2.gz GKAVMPAUODOLCY-LJQANCHMSA-N 1 3 332.463 3.134 10 0 EGAEHO Fc1ccc(CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662257783 461148563 /nfs/dbraw/zinc/14/85/63/461148563.db2.gz GKAVMPAUODOLCY-LJQANCHMSA-N 1 3 332.463 3.134 10 0 EGAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662455054 461249267 /nfs/dbraw/zinc/24/92/67/461249267.db2.gz UKJPPSQGTIDHJO-QFBILLFUSA-N 1 3 343.515 3.238 10 0 EGAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662455054 461249273 /nfs/dbraw/zinc/24/92/73/461249273.db2.gz UKJPPSQGTIDHJO-QFBILLFUSA-N 1 3 343.515 3.238 10 0 EGAEHO c1csc(C[NH+]2CCC(CNCc3cc4n(n3)CCCC4)CC2)c1 ZINC000655722773 461391658 /nfs/dbraw/zinc/39/16/58/461391658.db2.gz IGBZNWDIXPNFMG-UHFFFAOYSA-N 1 3 344.528 3.283 10 0 EGAEHO COc1cc(OC)c([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655805661 461466199 /nfs/dbraw/zinc/46/61/99/461466199.db2.gz JWMSWOKWZOLCCT-UPJWGTAASA-N 1 3 326.868 3.348 10 0 EGAEHO CN1CCC[N@H+](CCCNCc2oc3ccccc3c2Cl)CC1 ZINC000631065543 461516280 /nfs/dbraw/zinc/51/62/80/461516280.db2.gz WYVSVFPSDFWBRH-UHFFFAOYSA-N 1 3 335.879 3.203 10 0 EGAEHO CN1CCC[N@@H+](CCCNCc2oc3ccccc3c2Cl)CC1 ZINC000631065543 461516287 /nfs/dbraw/zinc/51/62/87/461516287.db2.gz WYVSVFPSDFWBRH-UHFFFAOYSA-N 1 3 335.879 3.203 10 0 EGAEHO C[N@@H+]1CCCN(CCCNCc2oc3ccccc3c2Cl)CC1 ZINC000631065543 461516294 /nfs/dbraw/zinc/51/62/94/461516294.db2.gz WYVSVFPSDFWBRH-UHFFFAOYSA-N 1 3 335.879 3.203 10 0 EGAEHO C[N@H+]1CCCN(CCCNCc2oc3ccccc3c2Cl)CC1 ZINC000631065543 461516302 /nfs/dbraw/zinc/51/63/02/461516302.db2.gz WYVSVFPSDFWBRH-UHFFFAOYSA-N 1 3 335.879 3.203 10 0 EGAEHO Cc1ncc([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000666234733 461522359 /nfs/dbraw/zinc/52/23/59/461522359.db2.gz OYSBYLSWBRXEFA-HNNXBMFYSA-N 1 3 345.512 3.129 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCCc3c(F)cccc3F)C2)C1 ZINC000655939480 461546778 /nfs/dbraw/zinc/54/67/78/461546778.db2.gz IASSVMUTRNRJIP-CLCXKQKWSA-N 1 3 338.442 3.116 10 0 EGAEHO c1cn(-c2csc(CNC[C@H]3CCC[N@H+](CC4CC4)C3)c2)cn1 ZINC000663345908 461573231 /nfs/dbraw/zinc/57/32/31/461573231.db2.gz OLXQAWNQRPVJSV-MRXNPFEDSA-N 1 3 330.501 3.145 10 0 EGAEHO c1cn(-c2csc(CNC[C@H]3CCC[N@@H+](CC4CC4)C3)c2)cn1 ZINC000663345908 461573236 /nfs/dbraw/zinc/57/32/36/461573236.db2.gz OLXQAWNQRPVJSV-MRXNPFEDSA-N 1 3 330.501 3.145 10 0 EGAEHO c1cn(-c2csc(C[NH2+]C[C@H]3CCCN(CC4CC4)C3)c2)cn1 ZINC000663345908 461573240 /nfs/dbraw/zinc/57/32/40/461573240.db2.gz OLXQAWNQRPVJSV-MRXNPFEDSA-N 1 3 330.501 3.145 10 0 EGAEHO CC(C)C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000647290037 461614524 /nfs/dbraw/zinc/61/45/24/461614524.db2.gz TZDBDFKGMLSBGR-XLIONFOSSA-N 1 3 331.504 3.259 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000663504333 461676454 /nfs/dbraw/zinc/67/64/54/461676454.db2.gz ZRXWGBAXYWKSJD-TZMCWYRMSA-N 1 3 345.409 3.386 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000643456702 461732223 /nfs/dbraw/zinc/73/22/23/461732223.db2.gz FMJJIPVKOHMTFA-UYAOXDASSA-N 1 3 328.456 3.128 10 0 EGAEHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000669691879 461768333 /nfs/dbraw/zinc/76/83/33/461768333.db2.gz WANVKBVWSZTWPC-SFHVURJKSA-N 1 3 333.520 3.152 10 0 EGAEHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)CC1CCCC1 ZINC000644545360 461980238 /nfs/dbraw/zinc/98/02/38/461980238.db2.gz LFSCOKKIQLVVMJ-RTWAWAEBSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545360 461980243 /nfs/dbraw/zinc/98/02/43/461980243.db2.gz LFSCOKKIQLVVMJ-RTWAWAEBSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545360 461980247 /nfs/dbraw/zinc/98/02/47/461980247.db2.gz LFSCOKKIQLVVMJ-RTWAWAEBSA-N 1 3 330.516 3.082 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657313853 462037761 /nfs/dbraw/zinc/03/77/61/462037761.db2.gz VXUAVOAIDCGJFD-ZIAGYGMSSA-N 1 3 346.441 3.287 10 0 EGAEHO COC[C@H](C)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000667501742 462115841 /nfs/dbraw/zinc/11/58/41/462115841.db2.gz ISHNDUIWZGWQLK-SFHVURJKSA-N 1 3 346.515 3.408 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000648450086 462123662 /nfs/dbraw/zinc/12/36/62/462123662.db2.gz RSPYYFLYDREVNU-PGRDOPGGSA-N 1 3 341.543 3.156 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c2sccc21 ZINC000651228249 462145857 /nfs/dbraw/zinc/14/58/57/462145857.db2.gz DOVRMVFTMDJQIR-RKVPGOIHSA-N 1 3 333.545 3.445 10 0 EGAEHO c1ccc2c(c1)ccnc2CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536254 462170795 /nfs/dbraw/zinc/17/07/95/462170795.db2.gz ZFKOXKALPBZBCU-UHFFFAOYSA-N 1 3 339.483 3.215 10 0 EGAEHO Cc1cc(F)c(CNCC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000657537606 462171540 /nfs/dbraw/zinc/17/15/40/462171540.db2.gz QOXPGXVELOJQSB-UHFFFAOYSA-N 1 3 338.442 3.254 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cc4ccccc4[nH]3)cc2)C1 ZINC000657594913 462197747 /nfs/dbraw/zinc/19/77/47/462197747.db2.gz FIHQYHMJIMAFME-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cc4ccccc4[nH]3)cc2)C1 ZINC000657594913 462197753 /nfs/dbraw/zinc/19/77/53/462197753.db2.gz FIHQYHMJIMAFME-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO CC(C)(C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000657595346 462198202 /nfs/dbraw/zinc/19/82/02/462198202.db2.gz HBFLDZJHKDHQJX-OAQYLSRUSA-N 1 3 338.495 3.321 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(C4CC4)cc3)cc2)C1 ZINC000657598246 462198566 /nfs/dbraw/zinc/19/85/66/462198566.db2.gz ZJHYDQIVLJCUNO-JOCHJYFZSA-N 1 3 336.479 3.420 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(C4CC4)cc3)cc2)C1 ZINC000657598246 462198573 /nfs/dbraw/zinc/19/85/73/462198573.db2.gz ZJHYDQIVLJCUNO-JOCHJYFZSA-N 1 3 336.479 3.420 10 0 EGAEHO c1c2cccnc2oc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612966 462204145 /nfs/dbraw/zinc/20/41/45/462204145.db2.gz HBGJFMVYSMWNRB-UHFFFAOYSA-N 1 3 336.439 3.225 10 0 EGAEHO C[C@H](O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836141 462209979 /nfs/dbraw/zinc/20/99/79/462209979.db2.gz JJANIRXVGIFYKJ-PXNSSMCTSA-N 1 3 330.516 3.380 10 0 EGAEHO C[C@H](O)CC[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836141 462209984 /nfs/dbraw/zinc/20/99/84/462209984.db2.gz JJANIRXVGIFYKJ-PXNSSMCTSA-N 1 3 330.516 3.380 10 0 EGAEHO CCC[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658068466 462366554 /nfs/dbraw/zinc/36/65/54/462366554.db2.gz WQRPARPVFNCTLZ-LJQANCHMSA-N 1 3 331.504 3.403 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)cc2)C1 ZINC000658138912 462401645 /nfs/dbraw/zinc/40/16/45/462401645.db2.gz PAIOZKFJIODWAG-NJDAHSKKSA-N 1 3 328.500 3.312 10 0 EGAEHO C[C@H](COCC1CC1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000651984270 462401905 /nfs/dbraw/zinc/40/19/05/462401905.db2.gz YOSGCOUHIMIWRY-MSOLQXFVSA-N 1 3 330.516 3.487 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139205 462402491 /nfs/dbraw/zinc/40/24/91/462402491.db2.gz PKTFCVLULKNFKF-FCHUYYIVSA-N 1 3 336.479 3.494 10 0 EGAEHO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139638 462403361 /nfs/dbraw/zinc/40/33/61/462403361.db2.gz QQHMGPWBNYHEIZ-XJKSGUPXSA-N 1 3 330.394 3.074 10 0 EGAEHO O[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248112 462442234 /nfs/dbraw/zinc/44/22/34/462442234.db2.gz CBNFRNAOFBKKJT-UHZRXMQZSA-N 1 3 326.484 3.075 10 0 EGAEHO O[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000658248112 462442238 /nfs/dbraw/zinc/44/22/38/462442238.db2.gz CBNFRNAOFBKKJT-UHZRXMQZSA-N 1 3 326.484 3.075 10 0 EGAEHO O[C@@H]1CCCN(CCC[NH+]2CCCCC2)[C@H]1CCc1ccccc1 ZINC000646073779 462510359 /nfs/dbraw/zinc/51/03/59/462510359.db2.gz IZENLCBFFFUVAW-LEWJYISDSA-N 1 3 330.516 3.321 10 0 EGAEHO C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178560235 533916080 /nfs/dbraw/zinc/91/60/80/533916080.db2.gz IGJWGOIUNZDADO-HNNXBMFYSA-N 1 3 346.446 3.109 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130484271 529143585 /nfs/dbraw/zinc/14/35/85/529143585.db2.gz HFNOPCVMNUXISO-NHCUHLMSSA-N 1 3 329.532 3.330 10 0 EGAEHO Fc1ccc(C(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000670265889 548192264 /nfs/dbraw/zinc/19/22/64/548192264.db2.gz XFQLJCHHSBDLKN-IAGOWNOFSA-N 1 3 328.406 3.248 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000678774118 549558862 /nfs/dbraw/zinc/55/88/62/549558862.db2.gz DUHBKNDKEFTBJT-RTBURBONSA-N 1 3 337.458 3.174 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCN(CC4CC4)C2)C3)cc1 ZINC000679393107 549703942 /nfs/dbraw/zinc/70/39/42/549703942.db2.gz FSHQNGQGCCKHEU-YUMYIRISSA-N 1 3 339.527 3.256 10 0 EGAEHO CC(C)[NH+]1CCC(N[C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000679997931 549804121 /nfs/dbraw/zinc/80/41/21/549804121.db2.gz NHKQINGUCDCVKX-LJQANCHMSA-N 1 3 326.488 3.166 10 0 EGAEHO CC(C)N1CCC([NH2+][C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000679997931 549804123 /nfs/dbraw/zinc/80/41/23/549804123.db2.gz NHKQINGUCDCVKX-LJQANCHMSA-N 1 3 326.488 3.166 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000680004136 549804858 /nfs/dbraw/zinc/80/48/58/549804858.db2.gz YUDGLPMJUCLISP-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000680004136 549804860 /nfs/dbraw/zinc/80/48/60/549804860.db2.gz YUDGLPMJUCLISP-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000682077793 550070468 /nfs/dbraw/zinc/07/04/68/550070468.db2.gz QRVXKVRLGWWPMG-OAQYLSRUSA-N 1 3 327.516 3.164 10 0 EGAEHO C[NH2+]C[C@H]1CCCN([C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300530590 1296784175 /nfs/dbraw/zinc/78/41/75/1296784175.db2.gz OZPIKKIZPUPIFF-UKRRQHHQSA-N 1 3 325.294 3.312 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886507427 1303479915 /nfs/dbraw/zinc/47/99/15/1303479915.db2.gz KIOJXZKMYLPDFR-HBMCJLEFSA-N 1 3 338.499 3.224 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1)C(C)C ZINC000892785152 1305551718 /nfs/dbraw/zinc/55/17/18/1305551718.db2.gz MRORCGSKNNTCDB-OAQYLSRUSA-N 1 3 343.515 3.131 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1)C(C)C ZINC000892785152 1305551719 /nfs/dbraw/zinc/55/17/19/1305551719.db2.gz MRORCGSKNNTCDB-OAQYLSRUSA-N 1 3 343.515 3.131 10 0 EGAEHO c1cn2cc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)sc2n1 ZINC000894135166 1306238942 /nfs/dbraw/zinc/23/89/42/1306238942.db2.gz RXMLJQIWXXBLNH-MRXNPFEDSA-N 1 3 326.469 3.008 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C[C@@H](C)O1 ZINC000921758320 1322393766 /nfs/dbraw/zinc/39/37/66/1322393766.db2.gz DBACLKZCNWOESO-IAGOWNOFSA-N 1 3 348.535 3.057 10 0 EGAEHO c1ccc2c(c1)NC[C@@H]2C[C@@H]1COCCN1CCCC1CC[NH2+]CC1 ZINC000923553896 1322776564 /nfs/dbraw/zinc/77/65/64/1322776564.db2.gz WRKUVHCABHWTKF-RBUKOAKNSA-N 1 3 343.515 3.066 10 0 EGAEHO C[NH+](C)CC1(O)CCN(Cc2cc(Cl)cc3ccccc32)CC1 ZINC000931479694 1329127601 /nfs/dbraw/zinc/12/76/01/1329127601.db2.gz YZCQLWSGCQURIS-UHFFFAOYSA-N 1 3 332.875 3.382 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925241884 1325092662 /nfs/dbraw/zinc/09/26/62/1325092662.db2.gz TXEOFVCSZLSOGM-CJNGLKHVSA-N 1 3 325.884 3.059 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925511174 1325184229 /nfs/dbraw/zinc/18/42/29/1325184229.db2.gz HWZDGWMQKAPRRA-MSOLQXFVSA-N 1 3 326.488 3.184 10 0 EGAEHO CC(C)(CO)[C@@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1 ZINC000925607430 1325229579 /nfs/dbraw/zinc/22/95/79/1325229579.db2.gz PUYIIAJECLLXPP-YDZRNGNQSA-N 1 3 330.516 3.155 10 0 EGAEHO CC(C)(CO)[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607430 1325229585 /nfs/dbraw/zinc/22/95/85/1325229585.db2.gz PUYIIAJECLLXPP-YDZRNGNQSA-N 1 3 330.516 3.155 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1F ZINC000925619042 1325233176 /nfs/dbraw/zinc/23/31/76/1325233176.db2.gz KOCJGJOLUCBERZ-LVRJZDEYSA-N 1 3 326.431 3.272 10 0 EGAEHO Cc1noc(C[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)n1 ZINC000925651706 1325247364 /nfs/dbraw/zinc/24/73/64/1325247364.db2.gz JIDNUEFOJXIXNW-ULQDDVLXSA-N 1 3 328.460 3.157 10 0 EGAEHO CC(C)[C@@H](COCc1ccccc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925777743 1325296418 /nfs/dbraw/zinc/29/64/18/1325296418.db2.gz QGCLGVCJXJKPDS-IAGOWNOFSA-N 1 3 326.431 3.062 10 0 EGAEHO COc1cc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)ccc1SC ZINC000925781179 1325298400 /nfs/dbraw/zinc/29/84/00/1325298400.db2.gz HNBWFHIBOIFVRZ-WCQYABFASA-N 1 3 330.444 3.313 10 0 EGAEHO Cc1ccnc(CNC2CCC(C[NH+](C)C)CC2)c1Br ZINC000865508885 1329707234 /nfs/dbraw/zinc/70/72/34/1329707234.db2.gz NHWSLJPFJQEYRS-UHFFFAOYSA-N 1 3 340.309 3.363 10 0 EGAEHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000866307174 1330093619 /nfs/dbraw/zinc/09/36/19/1330093619.db2.gz SJBDOCSBGCNNCL-RZTDZLQYSA-N 1 3 346.490 3.417 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001324556315 1387672316 /nfs/dbraw/zinc/67/23/16/1387672316.db2.gz GRXOYEJRBOBLQC-CTNGQTDRSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001324556315 1387672324 /nfs/dbraw/zinc/67/23/24/1387672324.db2.gz GRXOYEJRBOBLQC-CTNGQTDRSA-N 1 3 349.563 3.223 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647783 1387717560 /nfs/dbraw/zinc/71/75/60/1387717560.db2.gz QNVGYARTQQKWNV-QUCCMNQESA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647783 1387717562 /nfs/dbraw/zinc/71/75/62/1387717562.db2.gz QNVGYARTQQKWNV-QUCCMNQESA-N 1 3 349.563 3.268 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001324742862 1387758965 /nfs/dbraw/zinc/75/89/65/1387758965.db2.gz USQFJPBACNYSLS-HXUWFJFHSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001325678589 1388028346 /nfs/dbraw/zinc/02/83/46/1388028346.db2.gz DFBREDIVDRZIGL-VJANTYMQSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001325678587 1388028684 /nfs/dbraw/zinc/02/86/84/1388028684.db2.gz DFBREDIVDRZIGL-NCXUSEDFSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]1CCc2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2C1 ZINC001118438025 1371182133 /nfs/dbraw/zinc/18/21/33/1371182133.db2.gz DHJSJOPAZYDRMB-GDBMZVCRSA-N 1 3 333.545 3.480 10 0 EGAEHO CC[NH+](CC)CC[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC001124047876 1372665637 /nfs/dbraw/zinc/66/56/37/1372665637.db2.gz POLANFULOVPMAK-OAHLLOKOSA-N 1 3 345.487 3.345 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146143 1388404400 /nfs/dbraw/zinc/40/44/00/1388404400.db2.gz IPXGPZMYTNUCSJ-FAPWYTRCSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146143 1388404405 /nfs/dbraw/zinc/40/44/05/1388404405.db2.gz IPXGPZMYTNUCSJ-FAPWYTRCSA-N 1 3 337.552 3.290 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001267971051 1377481157 /nfs/dbraw/zinc/48/11/57/1377481157.db2.gz XJHMSQKUNCXDLI-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001267971051 1377481159 /nfs/dbraw/zinc/48/11/59/1377481159.db2.gz XJHMSQKUNCXDLI-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001267970993 1377481259 /nfs/dbraw/zinc/48/12/59/1377481259.db2.gz QCFDDADJJXGFAJ-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271591445 1377642525 /nfs/dbraw/zinc/64/25/25/1377642525.db2.gz KUJCQLOMFVQCBQ-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)Cc1cccc(C)c1)C(C)C)N(C)C ZINC001278912427 1378291830 /nfs/dbraw/zinc/29/18/30/1378291830.db2.gz PVFDJOLQFJYOOF-LJQANCHMSA-N 1 3 333.520 3.004 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)Cc1cccc(C)c1)C(C)C)N(C)C ZINC001278912427 1378291836 /nfs/dbraw/zinc/29/18/36/1378291836.db2.gz PVFDJOLQFJYOOF-LJQANCHMSA-N 1 3 333.520 3.004 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(C)(C)C ZINC001278979361 1378295065 /nfs/dbraw/zinc/29/50/65/1378295065.db2.gz ZALHALICOVGUAN-ROUUACIJSA-N 1 3 339.568 3.273 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)cc1 ZINC001282167581 1378482896 /nfs/dbraw/zinc/48/28/96/1378482896.db2.gz MHNXBWSBZPLWAO-SJORKVTESA-N 1 3 345.531 3.106 10 0 EGAEHO CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC001282991752 1378699183 /nfs/dbraw/zinc/69/91/83/1378699183.db2.gz AZSMAUBJVDRLHL-OYRHEFFESA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC001282991752 1378699185 /nfs/dbraw/zinc/69/91/85/1378699185.db2.gz AZSMAUBJVDRLHL-OYRHEFFESA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001284104214 1379476740 /nfs/dbraw/zinc/47/67/40/1379476740.db2.gz WUDSVRSMXYKZKF-SLFFLAALSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001284104219 1379476833 /nfs/dbraw/zinc/47/68/33/1379476833.db2.gz WUDSVRSMXYKZKF-XUVXKRRUSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001284529258 1379933117 /nfs/dbraw/zinc/93/31/17/1379933117.db2.gz FTFWDWLRCLRAAW-IEBWSBKVSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001284529258 1379933120 /nfs/dbraw/zinc/93/31/20/1379933120.db2.gz FTFWDWLRCLRAAW-IEBWSBKVSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001284529260 1379933457 /nfs/dbraw/zinc/93/34/57/1379933457.db2.gz FTFWDWLRCLRAAW-PKOBYXMFSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001284529260 1379933459 /nfs/dbraw/zinc/93/34/59/1379933459.db2.gz FTFWDWLRCLRAAW-PKOBYXMFSA-N 1 3 331.504 3.011 10 0 EGAEHO CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001284653441 1380068659 /nfs/dbraw/zinc/06/86/59/1380068659.db2.gz RWNZDDDHLKUYML-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284699616 1380114785 /nfs/dbraw/zinc/11/47/85/1380114785.db2.gz ICXKNWPMVBQTLB-QZTJIDSGSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)C[NH+]1CCC(C2(NC(=O)[C@H](C)N3CCCCCC3)CC2)CC1 ZINC001284846595 1380269137 /nfs/dbraw/zinc/26/91/37/1380269137.db2.gz QWIUJIOOMOIBSX-SFHVURJKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001284967766 1380331936 /nfs/dbraw/zinc/33/19/36/1380331936.db2.gz SHAQLYBHAYEBDQ-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001284967766 1380331939 /nfs/dbraw/zinc/33/19/39/1380331939.db2.gz SHAQLYBHAYEBDQ-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1ccsc1 ZINC001328283438 1388714514 /nfs/dbraw/zinc/71/45/14/1388714514.db2.gz KZJVWZLQBOIDSF-FUHWJXTLSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291944843 1382162405 /nfs/dbraw/zinc/16/24/05/1382162405.db2.gz FGEWALDSKJCWEG-NLWGTHIKSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001291944843 1382162406 /nfs/dbraw/zinc/16/24/06/1382162406.db2.gz FGEWALDSKJCWEG-NLWGTHIKSA-N 1 3 343.515 3.012 10 0 EGAEHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001317005284 1384766219 /nfs/dbraw/zinc/76/62/19/1384766219.db2.gz GYHHKHNRVXSSPE-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)C)CC[C@@H]21 ZINC001317099303 1384862129 /nfs/dbraw/zinc/86/21/29/1384862129.db2.gz AOSNEJXZGHWYGF-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCC(C)C)CC[C@@H]21 ZINC001317099303 1384862132 /nfs/dbraw/zinc/86/21/32/1384862132.db2.gz AOSNEJXZGHWYGF-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001317099362 1384862263 /nfs/dbraw/zinc/86/22/63/1384862263.db2.gz BSQRQVQQKRJYOR-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@H]21 ZINC001317099362 1384862268 /nfs/dbraw/zinc/86/22/68/1384862268.db2.gz BSQRQVQQKRJYOR-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1)N1CCCC1 ZINC001317137929 1384902319 /nfs/dbraw/zinc/90/23/19/1384902319.db2.gz KYUCQSDNIOAILF-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1)N1CCCC1 ZINC001317137929 1384902320 /nfs/dbraw/zinc/90/23/20/1384902320.db2.gz KYUCQSDNIOAILF-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317138885 1384903913 /nfs/dbraw/zinc/90/39/13/1384903913.db2.gz WJBPLRJYJZMXKS-LJQANCHMSA-N 1 3 345.531 3.380 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317138885 1384903916 /nfs/dbraw/zinc/90/39/16/1384903916.db2.gz WJBPLRJYJZMXKS-LJQANCHMSA-N 1 3 345.531 3.380 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001317140606 1384907626 /nfs/dbraw/zinc/90/76/26/1384907626.db2.gz RFSIJKBHSQFZDQ-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001317140606 1384907630 /nfs/dbraw/zinc/90/76/30/1384907630.db2.gz RFSIJKBHSQFZDQ-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001317148565 1384915761 /nfs/dbraw/zinc/91/57/61/1384915761.db2.gz FGNSUNXQUNEHJV-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001317165660 1384929711 /nfs/dbraw/zinc/92/97/11/1384929711.db2.gz IXDMVOHOKDKAPC-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001317165657 1384929785 /nfs/dbraw/zinc/92/97/85/1384929785.db2.gz IXDMVOHOKDKAPC-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317345477 1385095899 /nfs/dbraw/zinc/09/58/99/1385095899.db2.gz AUCYRFXTLHKUBM-ZMBJWTFHSA-N 1 3 343.515 3.156 10 0 EGAEHO CCc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001329107582 1388972429 /nfs/dbraw/zinc/97/24/29/1388972429.db2.gz XHGKXXNAZKDYKH-IAGOWNOFSA-N 1 3 345.531 3.106 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001317717957 1385419532 /nfs/dbraw/zinc/41/95/32/1385419532.db2.gz KFMWEDXFUYUCCY-UXHICEINSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723351 1385424116 /nfs/dbraw/zinc/42/41/16/1385424116.db2.gz GBEWVQNYTIGTQK-UXHICEINSA-N 1 3 343.515 3.106 10 0 EGAEHO CCCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766805 1385456054 /nfs/dbraw/zinc/45/60/54/1385456054.db2.gz ISHJBRSQVYYPRW-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317766805 1385456057 /nfs/dbraw/zinc/45/60/57/1385456057.db2.gz ISHJBRSQVYYPRW-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](CC[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001318802594 1385857210 /nfs/dbraw/zinc/85/72/10/1385857210.db2.gz ADBBBORNGAITFG-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001319683532 1386250528 /nfs/dbraw/zinc/25/05/28/1386250528.db2.gz PTOZDHLEYMCMMJ-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001319849315 1386333848 /nfs/dbraw/zinc/33/38/48/1386333848.db2.gz OCFBWYUKLVFOCV-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC(C)(C)C ZINC001322168394 1387085696 /nfs/dbraw/zinc/08/56/96/1387085696.db2.gz IVIGFXLWIUDDAD-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC(C)(C)C ZINC001322168394 1387085701 /nfs/dbraw/zinc/08/57/01/1387085701.db2.gz IVIGFXLWIUDDAD-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC001322852606 1387247024 /nfs/dbraw/zinc/24/70/24/1387247024.db2.gz SGGSPNPPWQDKLI-UXHICEINSA-N 1 3 345.531 3.450 10 0 EGAEHO CN(C)C1(C(=O)NCc2ccc(C[NH2+]CC3CCCC3)cc2)CCC1 ZINC001698717272 1406361337 /nfs/dbraw/zinc/36/13/37/1406361337.db2.gz FZOUDNSIOWTTHO-UHFFFAOYSA-N 1 3 343.515 3.067 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001330514898 1389440820 /nfs/dbraw/zinc/44/08/20/1389440820.db2.gz RYKPOOZOMRMLFC-GOSISDBHSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001330514898 1389440823 /nfs/dbraw/zinc/44/08/23/1389440823.db2.gz RYKPOOZOMRMLFC-GOSISDBHSA-N 1 3 343.515 3.012 10 0 EGAEHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001331438978 1389748953 /nfs/dbraw/zinc/74/89/53/1389748953.db2.gz KVCNEOPRMBAGKI-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748720 1406399375 /nfs/dbraw/zinc/39/93/75/1406399375.db2.gz PALFMNDWTAUXPK-IEBWSBKVSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750473 1406401591 /nfs/dbraw/zinc/40/15/91/1406401591.db2.gz YFNBHQDGMCDBHG-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001331920634 1389911315 /nfs/dbraw/zinc/91/13/15/1389911315.db2.gz ZSBULAULDLQIBI-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)CC1CCCCCC1)C(C)C)N(C)C ZINC001332711556 1390164900 /nfs/dbraw/zinc/16/49/00/1390164900.db2.gz SKGYDXHKAFIMGH-LJQANCHMSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)CC1CCCCCC1)C(C)C)N(C)C ZINC001332711556 1390164903 /nfs/dbraw/zinc/16/49/03/1390164903.db2.gz SKGYDXHKAFIMGH-LJQANCHMSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C)N(C)C ZINC001332859434 1390203027 /nfs/dbraw/zinc/20/30/27/1390203027.db2.gz HXECTZOGZPFDJI-ZWKOTPCHSA-N 1 3 337.552 3.338 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001480366255 1392709632 /nfs/dbraw/zinc/70/96/32/1392709632.db2.gz XXZMUTIDGFHGCL-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696315 1392859963 /nfs/dbraw/zinc/85/99/63/1392859963.db2.gz HOFHHMDKGNJOHE-ROUUACIJSA-N 1 3 335.536 3.068 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001480737848 1392903991 /nfs/dbraw/zinc/90/39/91/1392903991.db2.gz AKCHNUORCJNJOW-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001480737848 1392903992 /nfs/dbraw/zinc/90/39/92/1392903992.db2.gz AKCHNUORCJNJOW-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001480813190 1392950881 /nfs/dbraw/zinc/95/08/81/1392950881.db2.gz GAUTWHFTHAQJCK-MJGOQNOKSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1)N1CCCCC1 ZINC001480823331 1392961682 /nfs/dbraw/zinc/96/16/82/1392961682.db2.gz HXHHKITVIKKMQB-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1)N1CCCCC1 ZINC001480823331 1392961684 /nfs/dbraw/zinc/96/16/84/1392961684.db2.gz HXHHKITVIKKMQB-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001698906521 1406640259 /nfs/dbraw/zinc/64/02/59/1406640259.db2.gz FYEHOACJZQZWKU-PMACEKPBSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccc1 ZINC001490976757 1394389840 /nfs/dbraw/zinc/38/98/40/1394389840.db2.gz GWOJDZYPOIHKIH-OHSMVPPVSA-N 1 3 343.515 3.199 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1 ZINC001490976757 1394389845 /nfs/dbraw/zinc/38/98/45/1394389845.db2.gz GWOJDZYPOIHKIH-OHSMVPPVSA-N 1 3 343.515 3.199 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481743280 1394489397 /nfs/dbraw/zinc/48/93/97/1394489397.db2.gz CQKGZBXNDHKBRP-FNYRVFDFSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481743280 1394489398 /nfs/dbraw/zinc/48/93/98/1394489398.db2.gz CQKGZBXNDHKBRP-FNYRVFDFSA-N 1 3 335.536 3.138 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854080 1394560332 /nfs/dbraw/zinc/56/03/32/1394560332.db2.gz ASFCBURWKASUDQ-PMACEKPBSA-N 1 3 345.531 3.242 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855287 1394561098 /nfs/dbraw/zinc/56/10/98/1394561098.db2.gz KNVUZQAMRLSUCS-ICSRJNTNSA-N 1 3 345.531 3.244 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001481999937 1394659347 /nfs/dbraw/zinc/65/93/47/1394659347.db2.gz APWFAYPRGXWKRA-SFHVURJKSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001482071146 1394734366 /nfs/dbraw/zinc/73/43/66/1394734366.db2.gz ALWFOZYCEZRJLL-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001482071146 1394734369 /nfs/dbraw/zinc/73/43/69/1394734369.db2.gz ALWFOZYCEZRJLL-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CN(C)C1(C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)CCC1 ZINC001482221672 1394815268 /nfs/dbraw/zinc/81/52/68/1394815268.db2.gz PBICWGQWHBECBO-UHFFFAOYSA-N 1 3 347.547 3.380 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC1CCCC1 ZINC001698969583 1406732199 /nfs/dbraw/zinc/73/21/99/1406732199.db2.gz AGWBYEKSEJADRG-GOSISDBHSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001482481645 1395035626 /nfs/dbraw/zinc/03/56/26/1395035626.db2.gz PAGSKPWYZCTBLK-QZTJIDSGSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007299 1395181587 /nfs/dbraw/zinc/18/15/87/1395181587.db2.gz BGCYYNCNLXHOFG-VQTJNVASSA-N 1 3 349.563 3.314 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC001484132452 1395271796 /nfs/dbraw/zinc/27/17/96/1395271796.db2.gz RVGMWAUKTABJKY-MJRGOJFPSA-N 1 3 335.536 3.045 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161505 1395296039 /nfs/dbraw/zinc/29/60/39/1395296039.db2.gz WTHJDAYIGCAJGH-WHXUGTBJSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161505 1395296045 /nfs/dbraw/zinc/29/60/45/1395296045.db2.gz WTHJDAYIGCAJGH-WHXUGTBJSA-N 1 3 349.563 3.435 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001484320064 1395338420 /nfs/dbraw/zinc/33/84/20/1395338420.db2.gz HUAULWGFRCAWGP-FHWLQOOXSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001484320064 1395338428 /nfs/dbraw/zinc/33/84/28/1395338428.db2.gz HUAULWGFRCAWGP-FHWLQOOXSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001484561919 1395447624 /nfs/dbraw/zinc/44/76/24/1395447624.db2.gz SKPVBDGOZNPNQX-FOIQADDNSA-N 1 3 349.494 3.186 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001484831659 1395569108 /nfs/dbraw/zinc/56/91/08/1395569108.db2.gz TUHRXMROGVQAHJ-HXUWFJFHSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001484831659 1395569116 /nfs/dbraw/zinc/56/91/16/1395569116.db2.gz TUHRXMROGVQAHJ-HXUWFJFHSA-N 1 3 337.552 3.223 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001485040718 1395646972 /nfs/dbraw/zinc/64/69/72/1395646972.db2.gz ZMVAACWZXWSYTN-PXPVJAHISA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC001485310046 1395788181 /nfs/dbraw/zinc/78/81/81/1395788181.db2.gz OHHNAGHBCGRYIK-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001485310046 1395788185 /nfs/dbraw/zinc/78/81/85/1395788185.db2.gz OHHNAGHBCGRYIK-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)[C@@H](C)c1cccc(F)c1 ZINC001485336450 1395808866 /nfs/dbraw/zinc/80/88/66/1395808866.db2.gz KREFCUYBWVHINA-CVEARBPZSA-N 1 3 349.494 3.198 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521627 1395995541 /nfs/dbraw/zinc/99/55/41/1395995541.db2.gz DBELPCNVCXSDQB-FXAWDEMLSA-N 1 3 345.531 3.052 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001485695070 1396104698 /nfs/dbraw/zinc/10/46/98/1396104698.db2.gz ACAHBAMCBNVBTG-ZHALLVOQSA-N 1 3 345.531 3.210 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723114 1396118167 /nfs/dbraw/zinc/11/81/67/1396118167.db2.gz XODANTSKXFOWOU-MJGOQNOKSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC001486090136 1396176660 /nfs/dbraw/zinc/17/66/60/1396176660.db2.gz FQNDUGLHHDGMSA-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001499955873 1396185350 /nfs/dbraw/zinc/18/53/50/1396185350.db2.gz YTGYGNVIWLNQBM-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001503473284 1396255587 /nfs/dbraw/zinc/25/55/87/1396255587.db2.gz KJXGCSTXGMSFCR-SJORKVTESA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001492092410 1396303850 /nfs/dbraw/zinc/30/38/50/1396303850.db2.gz PSXRMDKGPJRTRJ-QUCCMNQESA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)[C@H](C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877990 1396327814 /nfs/dbraw/zinc/32/78/14/1396327814.db2.gz FHGQPUVMRWZXOW-QFBILLFUSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001494301633 1396423981 /nfs/dbraw/zinc/42/39/81/1396423981.db2.gz YFWYJRKYLWNVQE-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001494301633 1396423982 /nfs/dbraw/zinc/42/39/82/1396423982.db2.gz YFWYJRKYLWNVQE-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CCC(C)CC1 ZINC001495742912 1396553755 /nfs/dbraw/zinc/55/37/55/1396553755.db2.gz LBAYPQYRKUVYKU-LXPRWKDFSA-N 1 3 339.568 3.133 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001496392316 1396685202 /nfs/dbraw/zinc/68/52/02/1396685202.db2.gz UQYGLBHAKAVMSB-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001689099702 1396907224 /nfs/dbraw/zinc/90/72/24/1396907224.db2.gz BFWXABGKYCJLMR-KSZLIROESA-N 1 3 339.568 3.227 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001689099703 1396907365 /nfs/dbraw/zinc/90/73/65/1396907365.db2.gz BFWXABGKYCJLMR-KURKYZTESA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)cc1C ZINC001498132823 1396924388 /nfs/dbraw/zinc/92/43/88/1396924388.db2.gz ROCUAJWHDJAGET-ICSRJNTNSA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001731999546 1428209873 /nfs/dbraw/zinc/20/98/73/1428209873.db2.gz FSUBQDHIVZKRQB-ROUUACIJSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CC(C)(C)C1 ZINC001689858169 1404173344 /nfs/dbraw/zinc/17/33/44/1404173344.db2.gz FTZCLRCNXSJZIP-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001689858169 1404173350 /nfs/dbraw/zinc/17/33/50/1404173350.db2.gz FTZCLRCNXSJZIP-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCC2=CCCCC2)CCC1 ZINC001690471491 1404595765 /nfs/dbraw/zinc/59/57/65/1404595765.db2.gz IVWZVIYTWUXGJZ-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001690487438 1404602271 /nfs/dbraw/zinc/60/22/71/1404602271.db2.gz UABJWRKBIURDSA-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815474 1404750985 /nfs/dbraw/zinc/75/09/85/1404750985.db2.gz UTQZTIYXPTWOJF-LIXSYLKWSA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001690815474 1404750988 /nfs/dbraw/zinc/75/09/88/1404750988.db2.gz UTQZTIYXPTWOJF-LIXSYLKWSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691277064 1405188341 /nfs/dbraw/zinc/18/83/41/1405188341.db2.gz NJFHAACDZVZVGD-XBMUEBEBSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CC1CCCCC1 ZINC001691304578 1405198362 /nfs/dbraw/zinc/19/83/62/1405198362.db2.gz CKXODJZNESOQEM-LPHOPBHVSA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1)N1CCCC1 ZINC001691612461 1405356829 /nfs/dbraw/zinc/35/68/29/1405356829.db2.gz DQCBJMNZHZYXNR-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691757966 1405475182 /nfs/dbraw/zinc/47/51/82/1405475182.db2.gz OXPLDHUXHLDKKO-XLAORIBOSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N(C/C=C\Cl)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691760314 1405476604 /nfs/dbraw/zinc/47/66/04/1405476604.db2.gz ROUFKWUVLMVWCI-HJMWAZGYSA-N 1 3 343.943 3.076 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691832288 1405545803 /nfs/dbraw/zinc/54/58/03/1405545803.db2.gz ZDKQIRVUKUXZGF-BMOGMMAESA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1ccsc1 ZINC001692027658 1405746393 /nfs/dbraw/zinc/74/63/93/1405746393.db2.gz ZJFFNFUXLZDSCT-ZWKOTPCHSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(C)C)C1 ZINC001692121739 1405783872 /nfs/dbraw/zinc/78/38/72/1405783872.db2.gz XJQGIGZGQAYVOC-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001692275231 1405905630 /nfs/dbraw/zinc/90/56/30/1405905630.db2.gz CKWGASQNULXODX-QGZVFWFLSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001692275231 1405905634 /nfs/dbraw/zinc/90/56/34/1405905634.db2.gz CKWGASQNULXODX-QGZVFWFLSA-N 1 3 335.536 3.044 10 0 EGAEHO C[NH+](C)CC1(C(=O)NCC2CN(CC3=CCCCC3)C2)CCCCC1 ZINC001692321101 1405939531 /nfs/dbraw/zinc/93/95/31/1405939531.db2.gz VZFYKLGQHSOUOW-UHFFFAOYSA-N 1 3 347.547 3.047 10 0 EGAEHO CCC/C=C/CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384728 1405990334 /nfs/dbraw/zinc/99/03/34/1405990334.db2.gz YMVUDWGPCIHXIR-UVEXCMSLSA-N 1 3 347.547 3.284 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001732022676 1428240510 /nfs/dbraw/zinc/24/05/10/1428240510.db2.gz BNLBYWYMGOQGDC-MJGOQNOKSA-N 1 3 331.504 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001732082850 1428338778 /nfs/dbraw/zinc/33/87/78/1428338778.db2.gz FTVVBZANGPELOW-DLBZAZTESA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001732082850 1428338779 /nfs/dbraw/zinc/33/87/79/1428338779.db2.gz FTVVBZANGPELOW-DLBZAZTESA-N 1 3 349.494 3.007 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221876 1428470382 /nfs/dbraw/zinc/47/03/82/1428470382.db2.gz HHXKRIPGIKFXLY-UYAOXDASSA-N 1 3 345.531 3.244 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001732491499 1428614097 /nfs/dbraw/zinc/61/40/97/1428614097.db2.gz QEUXZKWYCQMANA-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699774073 1413182339 /nfs/dbraw/zinc/18/23/39/1413182339.db2.gz GPWVOTZNISVATL-IAGOWNOFSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001699806939 1413221477 /nfs/dbraw/zinc/22/14/77/1413221477.db2.gz WMPXQTYCKQUXIN-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001699806939 1413221481 /nfs/dbraw/zinc/22/14/81/1413221481.db2.gz WMPXQTYCKQUXIN-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001700011824 1413454308 /nfs/dbraw/zinc/45/43/08/1413454308.db2.gz LKQKDZBACWYTOQ-QRVBRYPASA-N 1 3 335.536 3.115 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001700011824 1413454311 /nfs/dbraw/zinc/45/43/11/1413454311.db2.gz LKQKDZBACWYTOQ-QRVBRYPASA-N 1 3 335.536 3.115 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC=C(C)C)C2)C1 ZINC001700197868 1413640184 /nfs/dbraw/zinc/64/01/84/1413640184.db2.gz NMLVVWGSYJASNA-UXHICEINSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC=C(C)C)C2)C1 ZINC001700197868 1413640186 /nfs/dbraw/zinc/64/01/86/1413640186.db2.gz NMLVVWGSYJASNA-UXHICEINSA-N 1 3 349.563 3.245 10 0 EGAEHO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001700227988 1413683687 /nfs/dbraw/zinc/68/36/87/1413683687.db2.gz BDHJDUREYGMLJU-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001700227988 1413683691 /nfs/dbraw/zinc/68/36/91/1413683691.db2.gz BDHJDUREYGMLJU-NRFANRHFSA-N 1 3 349.563 3.079 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700229149 1413686345 /nfs/dbraw/zinc/68/63/45/1413686345.db2.gz IJUJZNDKEKZADA-AUGFPLSNSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700229149 1413686348 /nfs/dbraw/zinc/68/63/48/1413686348.db2.gz IJUJZNDKEKZADA-AUGFPLSNSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700540264 1414207203 /nfs/dbraw/zinc/20/72/03/1414207203.db2.gz ZRGAPHWCBRQCIR-JTHGQSKGSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700540263 1414207378 /nfs/dbraw/zinc/20/73/78/1414207378.db2.gz ZRGAPHWCBRQCIR-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001700550919 1414220841 /nfs/dbraw/zinc/22/08/41/1414220841.db2.gz PZNVIFHBZQTOTO-DKRLNXSXSA-N 1 3 343.515 3.155 10 0 EGAEHO CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001701007401 1414664559 /nfs/dbraw/zinc/66/45/59/1414664559.db2.gz SDIZPOUVACFCQC-QGZVFWFLSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001732600523 1428848000 /nfs/dbraw/zinc/84/80/00/1428848000.db2.gz RPYKORKACOPGFV-UHFFFAOYSA-N 1 3 345.531 3.185 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001732600523 1428848006 /nfs/dbraw/zinc/84/80/06/1428848006.db2.gz RPYKORKACOPGFV-UHFFFAOYSA-N 1 3 345.531 3.185 10 0 EGAEHO CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CCCCN1CC ZINC001732812932 1428990814 /nfs/dbraw/zinc/99/08/14/1428990814.db2.gz SFTNGRYVLBGJSH-IBGZPJMESA-N 1 3 335.536 3.189 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039069 1429166809 /nfs/dbraw/zinc/16/68/09/1429166809.db2.gz RQAFRVGTOLVKDF-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001733039069 1429166812 /nfs/dbraw/zinc/16/68/12/1429166812.db2.gz RQAFRVGTOLVKDF-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO C[N@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001707276468 1417283627 /nfs/dbraw/zinc/28/36/27/1417283627.db2.gz ZPLJBDHSAPAYAF-IBGZPJMESA-N 1 3 346.519 3.236 10 0 EGAEHO C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001707276468 1417283630 /nfs/dbraw/zinc/28/36/30/1417283630.db2.gz ZPLJBDHSAPAYAF-IBGZPJMESA-N 1 3 346.519 3.236 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1F ZINC001707436358 1417341314 /nfs/dbraw/zinc/34/13/14/1417341314.db2.gz OVEHUZGDDSOBTC-APWZRJJASA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001713137009 1417719752 /nfs/dbraw/zinc/71/97/52/1417719752.db2.gz SIQNESMGPVXIJQ-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001713137009 1417719754 /nfs/dbraw/zinc/71/97/54/1417719754.db2.gz SIQNESMGPVXIJQ-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001713175537 1417748293 /nfs/dbraw/zinc/74/82/93/1417748293.db2.gz GNXLOFUYFQLUGT-WGSAOQKQSA-N 1 3 345.531 3.061 10 0 EGAEHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001713473286 1418147858 /nfs/dbraw/zinc/14/78/58/1418147858.db2.gz SXDCLMNTDXEPSK-ROUUACIJSA-N 1 3 345.531 3.261 10 0 EGAEHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001713473286 1418147862 /nfs/dbraw/zinc/14/78/62/1418147862.db2.gz SXDCLMNTDXEPSK-ROUUACIJSA-N 1 3 345.531 3.261 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713538307 1418294044 /nfs/dbraw/zinc/29/40/44/1418294044.db2.gz IOPKLCVAQZJWPK-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713538307 1418294046 /nfs/dbraw/zinc/29/40/46/1418294046.db2.gz IOPKLCVAQZJWPK-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713683997 1418436663 /nfs/dbraw/zinc/43/66/63/1418436663.db2.gz GNYUAGXMNSHGBP-ZWKOTPCHSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713683995 1418437249 /nfs/dbraw/zinc/43/72/49/1418437249.db2.gz GNYUAGXMNSHGBP-QZTJIDSGSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697611 1418452956 /nfs/dbraw/zinc/45/29/56/1418452956.db2.gz ICPIDUUTQPDOEM-XLIONFOSSA-N 1 3 345.531 3.307 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](CC1CCC1)C1CC1 ZINC001713773741 1418589281 /nfs/dbraw/zinc/58/92/81/1418589281.db2.gz YKGWHHOJQFNNAU-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](CC1CCC1)C1CC1 ZINC001713773741 1418589277 /nfs/dbraw/zinc/58/92/77/1418589277.db2.gz YKGWHHOJQFNNAU-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713896857 1418695191 /nfs/dbraw/zinc/69/51/91/1418695191.db2.gz LEARCDVUBYTRBV-WOJBJXKFSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713896857 1418695194 /nfs/dbraw/zinc/69/51/94/1418695194.db2.gz LEARCDVUBYTRBV-WOJBJXKFSA-N 1 3 349.563 3.386 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714065789 1418862204 /nfs/dbraw/zinc/86/22/04/1418862204.db2.gz KDHOQYMGILUMAW-VOFKWLDRSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714081493 1418875274 /nfs/dbraw/zinc/87/52/74/1418875274.db2.gz YECQMOUWDHWRGH-IBGZPJMESA-N 1 3 345.531 3.279 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1cccc2ccccc21 ZINC001714081774 1418875779 /nfs/dbraw/zinc/87/57/79/1418875779.db2.gz BVXIFVNISFMKMB-UYAOXDASSA-N 1 3 341.499 3.164 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001714115745 1418918288 /nfs/dbraw/zinc/91/82/88/1418918288.db2.gz UFDBPFMWGHKFBE-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)N(CC)CC ZINC001714115745 1418918289 /nfs/dbraw/zinc/91/82/89/1418918289.db2.gz UFDBPFMWGHKFBE-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C2CC2)cc1C ZINC001714179097 1418987591 /nfs/dbraw/zinc/98/75/91/1418987591.db2.gz YRRXHXMHXWQCHA-OAQYLSRUSA-N 1 3 345.531 3.018 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001714274901 1419055232 /nfs/dbraw/zinc/05/52/32/1419055232.db2.gz XBSYMCDNFGMUEB-MSOLQXFVSA-N 1 3 347.547 3.437 10 0 EGAEHO CCC/C=C/CC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001714915964 1419666957 /nfs/dbraw/zinc/66/69/57/1419666957.db2.gz ZXYDTLADLPPVGF-BQYQJAHWSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001714915964 1419666961 /nfs/dbraw/zinc/66/69/61/1419666961.db2.gz ZXYDTLADLPPVGF-BQYQJAHWSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001715007758 1419736969 /nfs/dbraw/zinc/73/69/69/1419736969.db2.gz CWVVTWKQJDLDLV-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001715256838 1419979251 /nfs/dbraw/zinc/97/92/51/1419979251.db2.gz OTZSPKQMHCJRCC-ZWKOTPCHSA-N 1 3 349.563 3.173 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376640 1420072963 /nfs/dbraw/zinc/07/29/63/1420072963.db2.gz KLFOXLSGVKZAQP-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCc1cccc(CN(C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001715539927 1420238038 /nfs/dbraw/zinc/23/80/38/1420238038.db2.gz RAHHREUBTYDYBR-ROUUACIJSA-N 1 3 345.531 3.012 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001715701224 1420301099 /nfs/dbraw/zinc/30/10/99/1420301099.db2.gz MRPVCCRANHTUAD-OAHLLOKOSA-N 1 3 342.487 3.069 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001715978096 1420438224 /nfs/dbraw/zinc/43/82/24/1420438224.db2.gz VIIJYZDLXCXVOB-LCCNYURCSA-N 1 3 343.515 3.057 10 0 EGAEHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001716025858 1420482825 /nfs/dbraw/zinc/48/28/25/1420482825.db2.gz PQYRAXSNJSGZFM-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(CN(C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001716025858 1420482827 /nfs/dbraw/zinc/48/28/27/1420482827.db2.gz PQYRAXSNJSGZFM-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042576 1420505580 /nfs/dbraw/zinc/50/55/80/1420505580.db2.gz QQGKHWQSGRWLQP-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001716042576 1420505582 /nfs/dbraw/zinc/50/55/82/1420505582.db2.gz QQGKHWQSGRWLQP-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001716048805 1420512608 /nfs/dbraw/zinc/51/26/08/1420512608.db2.gz FQCOAYOKHOIRDJ-LXORQPIJSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001716048805 1420512610 /nfs/dbraw/zinc/51/26/10/1420512610.db2.gz FQCOAYOKHOIRDJ-LXORQPIJSA-N 1 3 347.547 3.140 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001716075933 1420530361 /nfs/dbraw/zinc/53/03/61/1420530361.db2.gz TUQGTVOJJRAPBH-ICSRJNTNSA-N 1 3 345.531 3.018 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515309 1420745027 /nfs/dbraw/zinc/74/50/27/1420745027.db2.gz IOBXQDWAAYDVSE-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001716520587 1420748923 /nfs/dbraw/zinc/74/89/23/1420748923.db2.gz MSUANDNKVIRVTL-PMACEKPBSA-N 1 3 349.563 3.482 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001716728513 1420886982 /nfs/dbraw/zinc/88/69/82/1420886982.db2.gz UOFVMZBHEFBJJR-UHFFFAOYSA-N 1 3 337.552 3.223 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001716888634 1421012337 /nfs/dbraw/zinc/01/23/37/1421012337.db2.gz YCPLNCYVYUDBEO-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001716996857 1421065720 /nfs/dbraw/zinc/06/57/20/1421065720.db2.gz FQJSFQREOWOETQ-PXNSSMCTSA-N 1 3 345.531 3.092 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001717150149 1421141207 /nfs/dbraw/zinc/14/12/07/1421141207.db2.gz PWPWZBJJDUCBBA-GOSISDBHSA-N 1 3 335.536 3.068 10 0 EGAEHO CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001717239894 1421207923 /nfs/dbraw/zinc/20/79/23/1421207923.db2.gz BTZDFLYMYSEQOK-MRXNPFEDSA-N 1 3 343.531 3.073 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717310214 1421253398 /nfs/dbraw/zinc/25/33/98/1421253398.db2.gz CSZUEOUVWZAIKU-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717310214 1421253401 /nfs/dbraw/zinc/25/34/01/1421253401.db2.gz CSZUEOUVWZAIKU-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001717334096 1421270379 /nfs/dbraw/zinc/27/03/79/1421270379.db2.gz PNDXWQJXYXDGAK-IBQUMJASSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001717334096 1421270380 /nfs/dbraw/zinc/27/03/80/1421270380.db2.gz PNDXWQJXYXDGAK-IBQUMJASSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)=CCN(C)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001717375999 1421318280 /nfs/dbraw/zinc/31/82/80/1421318280.db2.gz IFNSAMQKGIAXNO-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CCC2=CCCCC2)C1 ZINC001717457099 1421386458 /nfs/dbraw/zinc/38/64/58/1421386458.db2.gz WJFCUGONILDXPC-GOSISDBHSA-N 1 3 349.563 3.293 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1)N(C)C ZINC001717524322 1421459712 /nfs/dbraw/zinc/45/97/12/1421459712.db2.gz ZCPCDCAXDCJVMS-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001717641099 1421546237 /nfs/dbraw/zinc/54/62/37/1421546237.db2.gz WHTAKWISWSWPSW-UFYCRDLUSA-N 1 3 349.563 3.314 10 0 EGAEHO CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717740892 1421604213 /nfs/dbraw/zinc/60/42/13/1421604213.db2.gz IFZWAVUQZFATJY-DNVCBOLYSA-N 1 3 343.531 3.072 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001717847285 1421661261 /nfs/dbraw/zinc/66/12/61/1421661261.db2.gz JYHCGALQWCHEOT-GUDVDZBRSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001717979077 1421750223 /nfs/dbraw/zinc/75/02/23/1421750223.db2.gz VEZPEXSKXGFGES-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C2(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001718004221 1421770633 /nfs/dbraw/zinc/77/06/33/1421770633.db2.gz IORMZRLQILTVNT-ROUUACIJSA-N 1 3 347.547 3.186 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001733386027 1429573467 /nfs/dbraw/zinc/57/34/67/1429573467.db2.gz ZZIQPRDKFCWIBY-MJGOQNOKSA-N 1 3 337.552 3.316 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609021 1424490791 /nfs/dbraw/zinc/49/07/91/1424490791.db2.gz NMIDRAMCJWRBHD-ROUKRRSUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609021 1424490793 /nfs/dbraw/zinc/49/07/93/1424490793.db2.gz NMIDRAMCJWRBHD-ROUKRRSUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001723649882 1424516191 /nfs/dbraw/zinc/51/61/91/1424516191.db2.gz ZHCZTNBLUUWIQD-GOSISDBHSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001723649882 1424516200 /nfs/dbraw/zinc/51/62/00/1424516200.db2.gz ZHCZTNBLUUWIQD-GOSISDBHSA-N 1 3 349.563 3.077 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723855171 1424585761 /nfs/dbraw/zinc/58/57/61/1424585761.db2.gz DXJRWCCLSOJMPB-MJGOQNOKSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173114 1424706718 /nfs/dbraw/zinc/70/67/18/1424706718.db2.gz BHOKEOCLHLVWJJ-NQIIRXRSSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173114 1424706721 /nfs/dbraw/zinc/70/67/21/1424706721.db2.gz BHOKEOCLHLVWJJ-NQIIRXRSSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251672 1424756990 /nfs/dbraw/zinc/75/69/90/1424756990.db2.gz UPDGYCWVGFMDBA-GHTZIAJQSA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724295522 1424781747 /nfs/dbraw/zinc/78/17/47/1424781747.db2.gz YLVRUQJAUPIJQZ-VOTSOKGWSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001724921800 1425307136 /nfs/dbraw/zinc/30/71/36/1425307136.db2.gz AHIIKRJKXICMQG-UHFFFAOYSA-N 1 3 345.531 3.395 10 0 EGAEHO CC(C)CCC[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001724921800 1425307138 /nfs/dbraw/zinc/30/71/38/1425307138.db2.gz AHIIKRJKXICMQG-UHFFFAOYSA-N 1 3 345.531 3.395 10 0 EGAEHO CN(C)C1(C(=O)N(C)C2CCC([NH2+]Cc3ccsc3)CC2)CCC1 ZINC001725129615 1425597138 /nfs/dbraw/zinc/59/71/38/1425597138.db2.gz DSTBVOIWKPULGT-UHFFFAOYSA-N 1 3 349.544 3.092 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001725159163 1425654752 /nfs/dbraw/zinc/65/47/52/1425654752.db2.gz HACLOTQBYCKYGR-UYAOXDASSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001725159163 1425654755 /nfs/dbraw/zinc/65/47/55/1425654755.db2.gz HACLOTQBYCKYGR-UYAOXDASSA-N 1 3 345.531 3.113 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCCC1 ZINC001725229192 1425800561 /nfs/dbraw/zinc/80/05/61/1425800561.db2.gz MZBVRSPYRPVVAH-UHFFFAOYSA-N 1 3 345.531 3.246 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C)C1CN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269493 1425904963 /nfs/dbraw/zinc/90/49/63/1425904963.db2.gz SDDGQVBOJJSRKH-YLJYHZDGSA-N 1 3 347.547 3.044 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1N(Cc1ccsc1)CC2 ZINC001725622924 1426288774 /nfs/dbraw/zinc/28/87/74/1426288774.db2.gz IGDWRQOHCCAMBF-MJGOQNOKSA-N 1 3 349.544 3.093 10 0 EGAEHO CN(CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)CC(C)(C)C ZINC001725678242 1426365387 /nfs/dbraw/zinc/36/53/87/1426365387.db2.gz QUFLVXLGGMKLMB-SFHVURJKSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001731735585 1427816360 /nfs/dbraw/zinc/81/63/60/1427816360.db2.gz CYRBWXMUCUZLKG-VQIMIIECSA-N 1 3 349.494 3.073 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885096 1428160423 /nfs/dbraw/zinc/16/04/23/1428160423.db2.gz FCQWEBVBZBCOEB-CALCHBBNSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885096 1428160424 /nfs/dbraw/zinc/16/04/24/1428160424.db2.gz FCQWEBVBZBCOEB-CALCHBBNSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668118 1429862021 /nfs/dbraw/zinc/86/20/21/1429862021.db2.gz SKFAOFFXGNMGMX-ICSRJNTNSA-N 1 3 347.547 3.047 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676475 1429870932 /nfs/dbraw/zinc/87/09/32/1429870932.db2.gz NDFNMFOTLQLWBT-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006572 1437798483 /nfs/dbraw/zinc/79/84/83/1437798483.db2.gz PYXGNZZFICUOLO-DLBZAZTESA-N 1 3 347.547 3.307 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001734038327 1437826206 /nfs/dbraw/zinc/82/62/06/1437826206.db2.gz AQHQYTLPLPEHLL-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001734038327 1437826208 /nfs/dbraw/zinc/82/62/08/1437826208.db2.gz AQHQYTLPLPEHLL-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001734089354 1437874164 /nfs/dbraw/zinc/87/41/64/1437874164.db2.gz ZCTRYQVTNRBPLQ-SFHVURJKSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001734091461 1437875758 /nfs/dbraw/zinc/87/57/58/1437875758.db2.gz AGCPRUNGQZHZDO-UHFFFAOYSA-N 1 3 349.563 3.317 10 0 EGAEHO CC(C)c1ccc([C@H](C)N2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122094 1437902063 /nfs/dbraw/zinc/90/20/63/1437902063.db2.gz ZAIOBZFTUKSIBO-SJORKVTESA-N 1 3 345.531 3.259 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001734499364 1438133998 /nfs/dbraw/zinc/13/39/98/1438133998.db2.gz COCQARKMLPXUSN-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001734552026 1438150215 /nfs/dbraw/zinc/15/02/15/1438150215.db2.gz XWAAONNHKAMYQE-GOSISDBHSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001734552026 1438150216 /nfs/dbraw/zinc/15/02/16/1438150216.db2.gz XWAAONNHKAMYQE-GOSISDBHSA-N 1 3 345.531 3.006 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001734584948 1438175224 /nfs/dbraw/zinc/17/52/24/1438175224.db2.gz PMMHISIGAYCYBA-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1)N1CCCCCC1 ZINC001734607188 1438186442 /nfs/dbraw/zinc/18/64/42/1438186442.db2.gz JKCBEOPMLZWFOX-KRWDZBQOSA-N 1 3 347.547 3.022 10 0 EGAEHO CCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368454721 168357952 /nfs/dbraw/zinc/35/79/52/168357952.db2.gz VNXIVFICQKHXCL-XLIONFOSSA-N 1 3 343.515 3.060 10 0 EGAEHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000171746295 529865812 /nfs/dbraw/zinc/86/58/12/529865812.db2.gz OWAYXHIPBGSYPJ-SFTDATJTSA-N 1 3 328.500 3.473 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000171746295 529865813 /nfs/dbraw/zinc/86/58/13/529865813.db2.gz OWAYXHIPBGSYPJ-SFTDATJTSA-N 1 3 328.500 3.473 10 0 EGAEHO C[C@@H]1CCCCN1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118772691 221180122 /nfs/dbraw/zinc/18/01/22/221180122.db2.gz LYHLFXLIVPYLEH-OAHLLOKOSA-N 1 3 343.471 3.099 10 0 EGAEHO C[NH+](C)CC[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C(C)(C)C ZINC000116231719 152049183 /nfs/dbraw/zinc/04/91/83/152049183.db2.gz IZIHIFOKZFDJDW-LJQANCHMSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(-c3ccccc3)o2)CC1 ZINC000121078926 152324152 /nfs/dbraw/zinc/32/41/52/152324152.db2.gz SPZUYDYXWUDHKH-KRWDZBQOSA-N 1 3 342.483 3.471 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000336876259 154226503 /nfs/dbraw/zinc/22/65/03/154226503.db2.gz BXVOCSUFYJHWBI-OKZBNKHCSA-N 1 3 326.488 3.327 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000337355307 154304209 /nfs/dbraw/zinc/30/42/09/154304209.db2.gz ANRKZXCGALFUCM-MRXNPFEDSA-N 1 3 346.544 3.363 10 0 EGAEHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000348970799 156305201 /nfs/dbraw/zinc/30/52/01/156305201.db2.gz XBOZWYXKKDOQSM-UHFFFAOYSA-N 1 3 349.482 3.351 10 0 EGAEHO CC[N@H+](Cc1ccc(CN(C)C)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000348970799 156305205 /nfs/dbraw/zinc/30/52/05/156305205.db2.gz XBOZWYXKKDOQSM-UHFFFAOYSA-N 1 3 349.482 3.351 10 0 EGAEHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000348970799 156305208 /nfs/dbraw/zinc/30/52/08/156305208.db2.gz XBOZWYXKKDOQSM-UHFFFAOYSA-N 1 3 349.482 3.351 10 0 EGAEHO Cc1cc(F)ccc1N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248748071 163031663 /nfs/dbraw/zinc/03/16/63/163031663.db2.gz BLDWDQUQCUWBPI-MVCQKVDPSA-N 1 3 331.479 3.318 10 0 EGAEHO Cc1cc(F)ccc1N1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248748071 163031666 /nfs/dbraw/zinc/03/16/66/163031666.db2.gz BLDWDQUQCUWBPI-MVCQKVDPSA-N 1 3 331.479 3.318 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(CC)CC ZINC000345806607 164269625 /nfs/dbraw/zinc/26/96/25/164269625.db2.gz ZNNSASZETVCPLH-FQEVSTJZSA-N 1 3 345.531 3.409 10 0 EGAEHO Cc1cccc(CN(CCN(C)C)C(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000355038695 166090519 /nfs/dbraw/zinc/09/05/19/166090519.db2.gz BRALUOWDEDOWGW-HXUWFJFHSA-N 1 3 345.531 3.150 10 0 EGAEHO Cc1cccc(CN(CCN(C)C)C(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000355038695 166090521 /nfs/dbraw/zinc/09/05/21/166090521.db2.gz BRALUOWDEDOWGW-HXUWFJFHSA-N 1 3 345.531 3.150 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000367600843 168247956 /nfs/dbraw/zinc/24/79/56/168247956.db2.gz LGPWNUVMJLASMC-IBGZPJMESA-N 1 3 342.487 3.298 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367624679 168251169 /nfs/dbraw/zinc/25/11/69/168251169.db2.gz WOUSHNZOXHVVTG-SLFFLAALSA-N 1 3 341.499 3.388 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@H]2CCC[C@@H]21 ZINC000367627477 168251949 /nfs/dbraw/zinc/25/19/49/168251949.db2.gz TVNWXBGJSJYYKN-VKJFTORMSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@H]2CCC[C@@H]21 ZINC000367627477 168251950 /nfs/dbraw/zinc/25/19/50/168251950.db2.gz TVNWXBGJSJYYKN-VKJFTORMSA-N 1 3 342.512 3.210 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199442 309066586 /nfs/dbraw/zinc/06/65/86/309066586.db2.gz XBABVFRFQMFNPA-DLBZAZTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199442 309066587 /nfs/dbraw/zinc/06/65/87/309066587.db2.gz XBABVFRFQMFNPA-DLBZAZTESA-N 1 3 326.488 3.470 10 0 EGAEHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414296325 309071151 /nfs/dbraw/zinc/07/11/51/309071151.db2.gz DWSJXTDWBHVMGL-RTBURBONSA-N 1 3 330.516 3.428 10 0 EGAEHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000248407239 308002233 /nfs/dbraw/zinc/00/22/33/308002233.db2.gz CSVJORWIVHWJBR-SLFFLAALSA-N 1 3 328.500 3.182 10 0 EGAEHO COc1ccc(F)c(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000293256877 308114547 /nfs/dbraw/zinc/11/45/47/308114547.db2.gz MKBVNRCYJIOWRF-UHFFFAOYSA-N 1 3 329.419 3.236 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000414513394 309085829 /nfs/dbraw/zinc/08/58/29/309085829.db2.gz KDNPYDIWXPUHKP-NSHGMRRFSA-N 1 3 345.531 3.122 10 0 EGAEHO Cc1cccnc1CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000295857965 308367844 /nfs/dbraw/zinc/36/78/44/308367844.db2.gz BIFWUTLVOHBDRK-QGZVFWFLSA-N 1 3 327.472 3.224 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000414810829 309103006 /nfs/dbraw/zinc/10/30/06/309103006.db2.gz OPHGQYMNVDWEOZ-KBPBESRZSA-N 1 3 329.419 3.352 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414817794 309103434 /nfs/dbraw/zinc/10/34/34/309103434.db2.gz BSSWOKREZWDFQG-NFAWXSAZSA-N 1 3 325.294 3.358 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414817799 309103459 /nfs/dbraw/zinc/10/34/59/309103459.db2.gz BSSWOKREZWDFQG-VNHYZAJKSA-N 1 3 325.294 3.358 10 0 EGAEHO C[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000397625324 308904714 /nfs/dbraw/zinc/90/47/14/308904714.db2.gz KGFBDAYTAXSZNB-IBGZPJMESA-N 1 3 338.495 3.407 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414910408 309108831 /nfs/dbraw/zinc/10/88/31/309108831.db2.gz CSBWPWVETUYPRX-HONMWMINSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414910408 309108832 /nfs/dbraw/zinc/10/88/32/309108832.db2.gz CSBWPWVETUYPRX-HONMWMINSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414930380 309109794 /nfs/dbraw/zinc/10/97/94/309109794.db2.gz ASPVKCAODISQOH-RWSFTLGLSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414930380 309109795 /nfs/dbraw/zinc/10/97/95/309109795.db2.gz ASPVKCAODISQOH-RWSFTLGLSA-N 1 3 329.257 3.107 10 0 EGAEHO COC[C@@]1(CNC2CCC(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000414953539 309111103 /nfs/dbraw/zinc/11/11/03/309111103.db2.gz JWSLREHPTSVGIE-NLPFYKDJSA-N 1 3 332.488 3.080 10 0 EGAEHO N[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720438 309364924 /nfs/dbraw/zinc/36/49/24/309364924.db2.gz ZOEDQZUAZFQMDZ-IRXDYDNUSA-N 1 3 341.421 3.139 10 0 EGAEHO [NH3+][C@H]1CCC[C@@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720438 309364925 /nfs/dbraw/zinc/36/49/25/309364925.db2.gz ZOEDQZUAZFQMDZ-IRXDYDNUSA-N 1 3 341.421 3.139 10 0 EGAEHO CCOC(=O)C1([C@@H](C)NCc2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422740858 309366103 /nfs/dbraw/zinc/36/61/03/309366103.db2.gz CJMIZAGUWJZXGF-OAHLLOKOSA-N 1 3 344.455 3.152 10 0 EGAEHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422779111 309367854 /nfs/dbraw/zinc/36/78/54/309367854.db2.gz BKLDOSGUDHOUPT-XFWGSAIBSA-N 1 3 332.488 3.363 10 0 EGAEHO COc1cccc(-c2ccc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422794381 309368661 /nfs/dbraw/zinc/36/86/61/309368661.db2.gz UGAOULMTBKFFNZ-GQWLDOHISA-N 1 3 340.467 3.204 10 0 EGAEHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422843139 309371483 /nfs/dbraw/zinc/37/14/83/309371483.db2.gz HDJMQNKZIJETQS-QZTJIDSGSA-N 1 3 327.403 3.047 10 0 EGAEHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422843141 309371559 /nfs/dbraw/zinc/37/15/59/309371559.db2.gz HDJMQNKZIJETQS-ZWKOTPCHSA-N 1 3 327.403 3.047 10 0 EGAEHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c(Cl)c1 ZINC000422892392 309374689 /nfs/dbraw/zinc/37/46/89/309374689.db2.gz YGLMHCPOSWAAFO-IFXJQAMLSA-N 1 3 332.875 3.439 10 0 EGAEHO COc1cccc(N2CC[C@H](CN[C@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896982 309374811 /nfs/dbraw/zinc/37/48/11/309374811.db2.gz BCBXZFCEPDCKNU-GUDVDZBRSA-N 1 3 345.531 3.422 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCOCC1 ZINC000422901268 309375301 /nfs/dbraw/zinc/37/53/01/309375301.db2.gz RTZKWCBDAQQVEI-PKOBYXMFSA-N 1 3 346.515 3.030 10 0 EGAEHO COc1ccc(C[C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422927022 309376530 /nfs/dbraw/zinc/37/65/30/309376530.db2.gz XXVFNTPVJYTHQX-KKXDTOCCSA-N 1 3 326.440 3.369 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423090520 309385295 /nfs/dbraw/zinc/38/52/95/309385295.db2.gz XVUHFIJIWUOMMW-INIZCTEOSA-N 1 3 338.499 3.416 10 0 EGAEHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092674 309385572 /nfs/dbraw/zinc/38/55/72/309385572.db2.gz CXVXOWZRRIMWBP-ZHVBFISDSA-N 1 3 326.843 3.009 10 0 EGAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094719 309385771 /nfs/dbraw/zinc/38/57/71/309385771.db2.gz KPIZJTYLMNCRCQ-MKXGPGLRSA-N 1 3 335.536 3.068 10 0 EGAEHO FC(F)(F)C1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108399 309386388 /nfs/dbraw/zinc/38/63/88/309386388.db2.gz MAXPQBLTIDHMNY-XJKSGUPXSA-N 1 3 326.362 3.174 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOCC1CCCC1 ZINC000423157370 309388697 /nfs/dbraw/zinc/38/86/97/309388697.db2.gz ARHULHGZDDFTQJ-UYAOXDASSA-N 1 3 330.472 3.039 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)[C@@H]1CCCNC1 ZINC000423204933 309390284 /nfs/dbraw/zinc/39/02/84/309390284.db2.gz AVRACNIWZKUSSD-NWANDNLSSA-N 1 3 337.305 3.284 10 0 EGAEHO Brc1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000423348386 309396465 /nfs/dbraw/zinc/39/64/65/309396465.db2.gz STWGCYCZRWJFNM-OAHLLOKOSA-N 1 3 337.261 3.172 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000423483058 309401937 /nfs/dbraw/zinc/40/19/37/309401937.db2.gz PSSBWLUQNSVCHX-OAHLLOKOSA-N 1 3 331.495 3.252 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C[C@H]1C ZINC000423527020 309404946 /nfs/dbraw/zinc/40/49/46/309404946.db2.gz LWZRCZGENKAULA-KSPUYCPUSA-N 1 3 348.531 3.098 10 0 EGAEHO CC(C)CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCN(C)CC1 ZINC000426453123 309507382 /nfs/dbraw/zinc/50/73/82/309507382.db2.gz COXQCCCOBBKGLD-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449082288 310035468 /nfs/dbraw/zinc/03/54/68/310035468.db2.gz MENZCDQPCKXQTF-GOSISDBHSA-N 1 3 341.499 3.138 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000449184849 310042971 /nfs/dbraw/zinc/04/29/71/310042971.db2.gz AKYUCEFCGIIRDA-HMFYCAOWSA-N 1 3 341.543 3.154 10 0 EGAEHO CCOC(=O)C1(CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449250155 310047661 /nfs/dbraw/zinc/04/76/61/310047661.db2.gz OBGYLLQYDTULAW-QGZVFWFLSA-N 1 3 344.499 3.015 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC(C)(F)F)CC1 ZINC000449354431 310056028 /nfs/dbraw/zinc/05/60/28/310056028.db2.gz NKNYJQNLVYVOPM-UHFFFAOYSA-N 1 3 325.447 3.354 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC(O)(CC)CC)CC1 ZINC000471828436 310749451 /nfs/dbraw/zinc/74/94/51/310749451.db2.gz VNLRNFSVEPWGIF-UHFFFAOYSA-N 1 3 347.547 3.249 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536961758 314155315 /nfs/dbraw/zinc/15/53/15/314155315.db2.gz MPZLUIOCKSLWTI-FQEVSTJZSA-N 1 3 333.495 3.202 10 0 EGAEHO FC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550262677 315122264 /nfs/dbraw/zinc/12/22/64/315122264.db2.gz NQFFDDCSBWWWSL-GOSISDBHSA-N 1 3 332.463 3.007 10 0 EGAEHO CC(C)[NH2+]CCCN[C@@H](C)Cc1ccc(Br)cc1F ZINC000583138243 325498356 /nfs/dbraw/zinc/49/83/56/325498356.db2.gz IVCPOCHOHDIRHY-LBPRGKRZSA-N 1 3 331.273 3.497 10 0 EGAEHO C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809348 460569633 /nfs/dbraw/zinc/56/96/33/460569633.db2.gz OFOHIQMRIDNXKH-CRAIPNDOSA-N 1 3 328.460 3.009 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969734 460599307 /nfs/dbraw/zinc/59/93/07/460599307.db2.gz XQIAYHLBANUFJO-CABCVRRESA-N 1 3 346.302 3.053 10 0 EGAEHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCCSC3)CC2)c1 ZINC000131092367 454235029 /nfs/dbraw/zinc/23/50/29/454235029.db2.gz XZHLHYZTNLHPQA-LJQANCHMSA-N 1 3 347.572 3.382 10 0 EGAEHO C[N@H+](CCOC(C)(C)C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106126933 454681535 /nfs/dbraw/zinc/68/15/35/454681535.db2.gz YHQQPXJKSIEKAH-FQEVSTJZSA-N 1 3 348.531 3.179 10 0 EGAEHO C[N@@H+](CCOC(C)(C)C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106126933 454681538 /nfs/dbraw/zinc/68/15/38/454681538.db2.gz YHQQPXJKSIEKAH-FQEVSTJZSA-N 1 3 348.531 3.179 10 0 EGAEHO COc1cccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)c1 ZINC000177381193 454858693 /nfs/dbraw/zinc/85/86/93/454858693.db2.gz DCWUKEFKTPYTJT-SFHVURJKSA-N 1 3 345.531 3.296 10 0 EGAEHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(N2CCOC2=O)cc1 ZINC000126478099 454897124 /nfs/dbraw/zinc/89/71/24/454897124.db2.gz SPQMFVDTKHHCCU-NMACRGETSA-N 1 3 343.471 3.309 10 0 EGAEHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCOC2=O)cc1 ZINC000126478099 454897126 /nfs/dbraw/zinc/89/71/26/454897126.db2.gz SPQMFVDTKHHCCU-NMACRGETSA-N 1 3 343.471 3.309 10 0 EGAEHO C[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530902 455303365 /nfs/dbraw/zinc/30/33/65/455303365.db2.gz RLJIPYGNQJBSJW-IAGOWNOFSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC000247191010 455571167 /nfs/dbraw/zinc/57/11/67/455571167.db2.gz OEOPJRVCOSJLPA-ZIAGYGMSSA-N 1 3 326.431 3.050 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000249382669 455752432 /nfs/dbraw/zinc/75/24/32/455752432.db2.gz TZYUROYDZPQDOY-OLZOCXBDSA-N 1 3 341.293 3.450 10 0 EGAEHO CC(C)c1nnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000296589203 455982447 /nfs/dbraw/zinc/98/24/47/455982447.db2.gz UWINRZLNHDVXOU-UHFFFAOYSA-N 1 3 341.503 3.461 10 0 EGAEHO CC(C)c1nnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[n-]1 ZINC000296589203 455982448 /nfs/dbraw/zinc/98/24/48/455982448.db2.gz UWINRZLNHDVXOU-UHFFFAOYSA-N 1 3 341.503 3.461 10 0 EGAEHO CC(C)c1nnc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000296589203 455982450 /nfs/dbraw/zinc/98/24/50/455982450.db2.gz UWINRZLNHDVXOU-UHFFFAOYSA-N 1 3 341.503 3.461 10 0 EGAEHO CC(C)c1nnc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000296589203 455982451 /nfs/dbraw/zinc/98/24/51/455982451.db2.gz UWINRZLNHDVXOU-UHFFFAOYSA-N 1 3 341.503 3.461 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000272766941 456064676 /nfs/dbraw/zinc/06/46/76/456064676.db2.gz MGYBOUOZJFDAGP-WDYCEAGBSA-N 1 3 326.488 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n[nH]1 ZINC000272766941 456064678 /nfs/dbraw/zinc/06/46/78/456064678.db2.gz MGYBOUOZJFDAGP-WDYCEAGBSA-N 1 3 326.488 3.149 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)C(CC)CC)CC1 ZINC000236783503 456183362 /nfs/dbraw/zinc/18/33/62/456183362.db2.gz PFVBZDZTQZNFPU-OAQYLSRUSA-N 1 3 347.547 3.105 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000340477077 456483925 /nfs/dbraw/zinc/48/39/25/456483925.db2.gz WZHCFHRPOJHHDX-FXAWDEMLSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000340477077 456483930 /nfs/dbraw/zinc/48/39/30/456483930.db2.gz WZHCFHRPOJHHDX-FXAWDEMLSA-N 1 3 341.503 3.221 10 0 EGAEHO Cc1nccnc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340491532 456490023 /nfs/dbraw/zinc/49/00/23/456490023.db2.gz RJDAWVYPCWZRDB-IHWFROFDSA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1nccnc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000340491532 456490028 /nfs/dbraw/zinc/49/00/28/456490028.db2.gz RJDAWVYPCWZRDB-IHWFROFDSA-N 1 3 336.483 3.113 10 0 EGAEHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000353401056 456676660 /nfs/dbraw/zinc/67/66/60/456676660.db2.gz HFUCRYSNPVNFFO-YGWPLHOASA-N 1 3 343.515 3.177 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342685686 457454961 /nfs/dbraw/zinc/45/49/61/457454961.db2.gz ZDBPMUGHVPBVSA-QZTJIDSGSA-N 1 3 343.515 3.162 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000356304595 457562154 /nfs/dbraw/zinc/56/21/54/457562154.db2.gz JGPTYQQTURTUNB-RBUKOAKNSA-N 1 3 345.531 3.123 10 0 EGAEHO CC1=CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234264 457877306 /nfs/dbraw/zinc/87/73/06/457877306.db2.gz WWDDRZYNOLWIKP-FPOVZHCZSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234264 457877310 /nfs/dbraw/zinc/87/73/10/457877310.db2.gz WWDDRZYNOLWIKP-FPOVZHCZSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234264 457877319 /nfs/dbraw/zinc/87/73/19/457877319.db2.gz WWDDRZYNOLWIKP-FPOVZHCZSA-N 1 3 327.516 3.281 10 0 EGAEHO FC(F)(F)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447600081 458318602 /nfs/dbraw/zinc/31/86/02/458318602.db2.gz LQJDHRVMJOFPTF-PHZGNYQRSA-N 1 3 328.378 3.308 10 0 EGAEHO FC(F)(F)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447600081 458318607 /nfs/dbraw/zinc/31/86/07/458318607.db2.gz LQJDHRVMJOFPTF-PHZGNYQRSA-N 1 3 328.378 3.308 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CCN(c4ccncc4)CC3)C[C@H]2C1 ZINC000424307286 458611803 /nfs/dbraw/zinc/61/18/03/458611803.db2.gz XHWBFTTVDYVUMT-LAGDQHSMSA-N 1 3 329.488 3.091 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000462903855 458666740 /nfs/dbraw/zinc/66/67/40/458666740.db2.gz DDCCWZBRZUYBDS-OAQYLSRUSA-N 1 3 345.531 3.123 10 0 EGAEHO C[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208608 458716526 /nfs/dbraw/zinc/71/65/26/458716526.db2.gz FXXQBWRVDNIIPI-LJCCNALRSA-N 1 3 330.472 3.117 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000443069614 459084879 /nfs/dbraw/zinc/08/48/79/459084879.db2.gz NDNXIBWDRNLQDP-FQEVSTJZSA-N 1 3 331.548 3.432 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000480265710 459190908 /nfs/dbraw/zinc/19/09/08/459190908.db2.gz NSEAXRXTXQLOKW-TZIWHRDSSA-N 1 3 329.532 3.363 10 0 EGAEHO CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC12CCCCC2 ZINC000568528362 459303595 /nfs/dbraw/zinc/30/35/95/459303595.db2.gz PPQMKXSWZYOMJM-HXUWFJFHSA-N 1 3 327.516 3.211 10 0 EGAEHO CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC12CCCCC2 ZINC000568528362 459303603 /nfs/dbraw/zinc/30/36/03/459303603.db2.gz PPQMKXSWZYOMJM-HXUWFJFHSA-N 1 3 327.516 3.211 10 0 EGAEHO CCCC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000572942885 459599485 /nfs/dbraw/zinc/59/94/85/459599485.db2.gz UOUWSQJRBMSZRF-YLJYHZDGSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000572942885 459599491 /nfs/dbraw/zinc/59/94/91/459599491.db2.gz UOUWSQJRBMSZRF-YLJYHZDGSA-N 1 3 349.563 3.410 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc4cc[nH]c4c3)cc2)C1 ZINC000527725446 459714988 /nfs/dbraw/zinc/71/49/88/459714988.db2.gz LSCRWLRUFFIGCF-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4cc[nH]c4c3)cc2)C1 ZINC000527725446 459714996 /nfs/dbraw/zinc/71/49/96/459714996.db2.gz LSCRWLRUFFIGCF-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO Cc1cccc(-c2noc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)c1 ZINC000576457141 460143566 /nfs/dbraw/zinc/14/35/66/460143566.db2.gz AZBHTKPOZMLIFR-HNNXBMFYSA-N 1 3 326.444 3.009 10 0 EGAEHO c1cc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)cc2c1OCO2 ZINC000576761264 460207704 /nfs/dbraw/zinc/20/77/04/460207704.db2.gz GGWAGVIOGJWYOH-IBGZPJMESA-N 1 3 336.435 3.398 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623432684 460547130 /nfs/dbraw/zinc/54/71/30/460547130.db2.gz FGOZXLLCMGWSFT-QGZVFWFLSA-N 1 3 330.451 3.016 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623432684 460547133 /nfs/dbraw/zinc/54/71/33/460547133.db2.gz FGOZXLLCMGWSFT-QGZVFWFLSA-N 1 3 330.451 3.016 10 0 EGAEHO CC[C@@H]([NH2+]CC1(N)CCOCC1)c1cc(F)cc(Br)c1 ZINC000629524807 460795409 /nfs/dbraw/zinc/79/54/09/460795409.db2.gz PYKKOPUQECCSGE-CQSZACIVSA-N 1 3 345.256 3.137 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629529348 460798395 /nfs/dbraw/zinc/79/83/95/460798395.db2.gz AGOGIZKIXNPOEZ-IBGZPJMESA-N 1 3 334.410 3.074 10 0 EGAEHO [NH3+]CCCOCCN[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000629541472 460801652 /nfs/dbraw/zinc/80/16/52/460801652.db2.gz PEQJNGWVVBFKQP-CYBMUJFWSA-N 1 3 333.259 3.162 10 0 EGAEHO Fc1cccc(Cl)c1C[C@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252372 461145114 /nfs/dbraw/zinc/14/51/14/461145114.db2.gz NHLQGNULCXHGJO-KGLIPLIRSA-N 1 3 338.854 3.007 10 0 EGAEHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288736 461277448 /nfs/dbraw/zinc/27/74/48/461277448.db2.gz QAHLCGCEIIMWHX-TZIWHRDSSA-N 1 3 349.478 3.002 10 0 EGAEHO O=C(C[C@H]1NCc2ccccc21)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000659288736 461277452 /nfs/dbraw/zinc/27/74/52/461277452.db2.gz QAHLCGCEIIMWHX-TZIWHRDSSA-N 1 3 349.478 3.002 10 0 EGAEHO CC(C)C[C@@H](CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740722 461411052 /nfs/dbraw/zinc/41/10/52/461411052.db2.gz WTEAROBIIRZVFJ-FPOVZHCZSA-N 1 3 330.516 3.347 10 0 EGAEHO CC(C)C[C@@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740722 461411060 /nfs/dbraw/zinc/41/10/60/461411060.db2.gz WTEAROBIIRZVFJ-FPOVZHCZSA-N 1 3 330.516 3.347 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000655819254 461475281 /nfs/dbraw/zinc/47/52/81/461475281.db2.gz XSTNXUIGRCBTPW-SLFFLAALSA-N 1 3 328.500 3.303 10 0 EGAEHO CC(C)CC[NH+]1CCC(CNCc2c3c(nn2C)CCCC3)CC1 ZINC000631086583 461537219 /nfs/dbraw/zinc/53/72/19/461537219.db2.gz YSANTBQAQUVUAJ-UHFFFAOYSA-N 1 3 332.536 3.147 10 0 EGAEHO CN(c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCN(C)CC1 ZINC000647256623 461593808 /nfs/dbraw/zinc/59/38/08/461593808.db2.gz ZZIFRHCVBJLRBP-BHIYHBOVSA-N 1 3 327.516 3.495 10 0 EGAEHO FC(F)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000631173103 461610895 /nfs/dbraw/zinc/61/08/95/461610895.db2.gz ZWEYVQXIBJIELG-UHFFFAOYSA-N 1 3 346.425 3.416 10 0 EGAEHO CC(C)C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000647290038 461615422 /nfs/dbraw/zinc/61/54/22/461615422.db2.gz TZDBDFKGMLSBGR-YLJYHZDGSA-N 1 3 331.504 3.259 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000663502422 461675199 /nfs/dbraw/zinc/67/51/99/461675199.db2.gz ISKGOSBDATUKQR-WMLDXEAASA-N 1 3 339.911 3.040 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(Br)cc1F ZINC000663504186 461675727 /nfs/dbraw/zinc/67/57/27/461675727.db2.gz XPSSCSQBPDXKQL-XHDPSFHLSA-N 1 3 331.273 3.482 10 0 EGAEHO [NH3+][C@H]1CCC[C@H](NCc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000666853916 461836668 /nfs/dbraw/zinc/83/66/68/461836668.db2.gz MSJFWPNVHQZENS-IRXDYDNUSA-N 1 3 339.487 3.420 10 0 EGAEHO [NH3+]CC1(CCNCc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000650713194 461907203 /nfs/dbraw/zinc/90/72/03/461907203.db2.gz JEBZEZQCKQSTCD-UHFFFAOYSA-N 1 3 349.276 3.058 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000650750793 461933805 /nfs/dbraw/zinc/93/38/05/461933805.db2.gz LDUKXFOUBBBBSK-LPHOPBHVSA-N 1 3 339.483 3.314 10 0 EGAEHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)CC1CCCC1 ZINC000644545361 461979827 /nfs/dbraw/zinc/97/98/27/461979827.db2.gz LFSCOKKIQLVVMJ-SFTDATJTSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545361 461979830 /nfs/dbraw/zinc/97/98/30/461979830.db2.gz LFSCOKKIQLVVMJ-SFTDATJTSA-N 1 3 330.516 3.082 10 0 EGAEHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545361 461979837 /nfs/dbraw/zinc/97/98/37/461979837.db2.gz LFSCOKKIQLVVMJ-SFTDATJTSA-N 1 3 330.516 3.082 10 0 EGAEHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cc[nH]c(=O)c1 ZINC000639579009 462000063 /nfs/dbraw/zinc/00/00/63/462000063.db2.gz AJYHDFUVBPJBOL-HOTGVXAUSA-N 1 3 325.456 3.033 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cncc(Br)c2C)CC1 ZINC000657346990 462061926 /nfs/dbraw/zinc/06/19/26/462061926.db2.gz KMFLUMQVNHQCQZ-UHFFFAOYSA-N 1 3 340.309 3.364 10 0 EGAEHO COCC[NH+]1CCC(NCc2ccc(-c3scnc3C)cc2)CC1 ZINC000657330981 462050909 /nfs/dbraw/zinc/05/09/09/462050909.db2.gz JGQIRAORBFEXEG-UHFFFAOYSA-N 1 3 345.512 3.319 10 0 EGAEHO CC[C@@H]1C[C@@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000657387741 462091123 /nfs/dbraw/zinc/09/11/23/462091123.db2.gz ZLPIMKGKXVFWDY-WOJBJXKFSA-N 1 3 346.515 3.215 10 0 EGAEHO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657452501 462133718 /nfs/dbraw/zinc/13/37/18/462133718.db2.gz GJEBOKPYOIGPOV-SFHVURJKSA-N 1 3 338.499 3.299 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667590253 462162585 /nfs/dbraw/zinc/16/25/85/462162585.db2.gz PYHOKHHMMBPQSW-UHFFFAOYSA-N 1 3 338.499 3.173 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667590253 462162589 /nfs/dbraw/zinc/16/25/89/462162589.db2.gz PYHOKHHMMBPQSW-UHFFFAOYSA-N 1 3 338.499 3.173 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000657594691 462196849 /nfs/dbraw/zinc/19/68/49/462196849.db2.gz KKCHYOLQKMYTFR-JOCHJYFZSA-N 1 3 338.495 3.468 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000657594691 462196856 /nfs/dbraw/zinc/19/68/56/462196856.db2.gz KKCHYOLQKMYTFR-JOCHJYFZSA-N 1 3 338.495 3.468 10 0 EGAEHO C[C@@H](O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836142 462210042 /nfs/dbraw/zinc/21/00/42/462210042.db2.gz JJANIRXVGIFYKJ-XLIONFOSSA-N 1 3 330.516 3.380 10 0 EGAEHO C[C@@H](O)CC[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836142 462210049 /nfs/dbraw/zinc/21/00/49/462210049.db2.gz JJANIRXVGIFYKJ-XLIONFOSSA-N 1 3 330.516 3.380 10 0 EGAEHO CC[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774128 462262010 /nfs/dbraw/zinc/26/20/10/462262010.db2.gz XHFAQBRQBBZDQQ-VAMGGRTRSA-N 1 3 328.500 3.446 10 0 EGAEHO CC[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774128 462262016 /nfs/dbraw/zinc/26/20/16/462262016.db2.gz XHFAQBRQBBZDQQ-VAMGGRTRSA-N 1 3 328.500 3.446 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C(C)(C)C(F)F ZINC000657841399 462292695 /nfs/dbraw/zinc/29/26/95/462292695.db2.gz CRNYRMVBFNLTFU-HNNXBMFYSA-N 1 3 339.474 3.203 10 0 EGAEHO CN1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)(N2CCCCC2)CC1 ZINC000657892808 462309615 /nfs/dbraw/zinc/30/96/15/462309615.db2.gz MWEVWBMAZMVSNB-QYZOEREBSA-N 1 3 333.564 3.351 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972932 462354980 /nfs/dbraw/zinc/35/49/80/462354980.db2.gz CFEGRIWUZOLTIL-SXYSDOLCSA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972932 462354986 /nfs/dbraw/zinc/35/49/86/462354986.db2.gz CFEGRIWUZOLTIL-SXYSDOLCSA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972932 462354994 /nfs/dbraw/zinc/35/49/94/462354994.db2.gz CFEGRIWUZOLTIL-SXYSDOLCSA-N 1 3 326.484 3.054 10 0 EGAEHO CC[C@H](COCC1CC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236659 462363385 /nfs/dbraw/zinc/36/33/85/462363385.db2.gz RQCNXWVSAIFMEH-YVWKXTFCSA-N 1 3 330.472 3.037 10 0 EGAEHO C[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)c1ccccn1 ZINC000658063177 462363477 /nfs/dbraw/zinc/36/34/77/462363477.db2.gz JMJUJJBFMZHMAK-IAGOWNOFSA-N 1 3 327.472 3.476 10 0 EGAEHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCC[C@@H](OC)C2)cc1 ZINC000665255691 462371580 /nfs/dbraw/zinc/37/15/80/462371580.db2.gz ZLPSEPIXEZBKSX-RNQOJCNYSA-N 1 3 332.488 3.078 10 0 EGAEHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273208 462378055 /nfs/dbraw/zinc/37/80/55/462378055.db2.gz RQLRFOLUQUJEQE-QKNQBKEWSA-N 1 3 335.451 3.102 10 0 EGAEHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000658106298 462386671 /nfs/dbraw/zinc/38/66/71/462386671.db2.gz AZIFHWNPFXKWHC-QWHCGFSZSA-N 1 3 331.426 3.027 10 0 EGAEHO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139636 462403653 /nfs/dbraw/zinc/40/36/53/462403653.db2.gz QQHMGPWBNYHEIZ-CJNGLKHVSA-N 1 3 330.394 3.074 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143124 462404766 /nfs/dbraw/zinc/40/47/66/462404766.db2.gz WSZXKIPRODJPJI-LAUBAEHRSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143124 462404770 /nfs/dbraw/zinc/40/47/70/462404770.db2.gz WSZXKIPRODJPJI-LAUBAEHRSA-N 1 3 340.442 3.169 10 0 EGAEHO Cc1nc(C)c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658143211 462406948 /nfs/dbraw/zinc/40/69/48/462406948.db2.gz XRUUNNDLIRSCEH-ACJLOTCBSA-N 1 3 345.512 3.177 10 0 EGAEHO Cc1nc(C)c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658143211 462406954 /nfs/dbraw/zinc/40/69/54/462406954.db2.gz XRUUNNDLIRSCEH-ACJLOTCBSA-N 1 3 345.512 3.177 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143179 462407173 /nfs/dbraw/zinc/40/71/73/462407173.db2.gz XIOABCVOYZHPQV-JLTOFOAXSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143179 462407183 /nfs/dbraw/zinc/40/71/83/462407183.db2.gz XIOABCVOYZHPQV-JLTOFOAXSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cn2ccccc2n1 ZINC000658167931 462416067 /nfs/dbraw/zinc/41/60/67/462416067.db2.gz USVGBXHNQFDINT-KRWDZBQOSA-N 1 3 349.482 3.292 10 0 EGAEHO C[C@H](N[C@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274823 462495382 /nfs/dbraw/zinc/49/53/82/462495382.db2.gz WUSLMVGGZSNBFJ-QFBILLFUSA-N 1 3 326.488 3.024 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000353447436 535496843 /nfs/dbraw/zinc/49/68/43/535496843.db2.gz KSWFAGQERAZXEK-UHFFFAOYSA-N 1 3 347.528 3.154 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000265993632 535601254 /nfs/dbraw/zinc/60/12/54/535601254.db2.gz NCNAPAWLRYJWQP-APWZRJJASA-N 1 3 331.504 3.083 10 0 EGAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000682697069 550131969 /nfs/dbraw/zinc/13/19/69/550131969.db2.gz UVEIJGJXASKYOG-SFHVURJKSA-N 1 3 345.531 3.278 10 0 EGAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000682697069 550131971 /nfs/dbraw/zinc/13/19/71/550131971.db2.gz UVEIJGJXASKYOG-SFHVURJKSA-N 1 3 345.531 3.278 10 0 EGAEHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000870992460 1296170104 /nfs/dbraw/zinc/17/01/04/1296170104.db2.gz LESQGFNRCGRKTP-NRFANRHFSA-N 1 3 343.515 3.120 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC000300529826 1296782931 /nfs/dbraw/zinc/78/29/31/1296782931.db2.gz NUEHMLFGEKONDJ-IPYPFGDCSA-N 1 3 325.294 3.439 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H](CN)CC[C@H]1C ZINC000300529826 1296782938 /nfs/dbraw/zinc/78/29/38/1296782938.db2.gz NUEHMLFGEKONDJ-IPYPFGDCSA-N 1 3 325.294 3.439 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCNCC1(C)C ZINC000311529994 1297108626 /nfs/dbraw/zinc/10/86/26/1297108626.db2.gz XTXVDMCTIJIYAU-IUODEOHRSA-N 1 3 325.294 3.358 10 0 EGAEHO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886631245 1303532952 /nfs/dbraw/zinc/53/29/52/1303532952.db2.gz HZOZEYRRMVUWLL-MQBSTWLZSA-N 1 3 330.516 3.426 10 0 EGAEHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930117722 1328789920 /nfs/dbraw/zinc/78/99/20/1328789920.db2.gz WHUACIFZNTWRMO-HZPDHXFCSA-N 1 3 330.394 3.290 10 0 EGAEHO O[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329803 1322734658 /nfs/dbraw/zinc/73/46/58/1322734658.db2.gz YTFBVVABRLJKOU-BDTNDASRSA-N 1 3 338.495 3.207 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552328 1322775442 /nfs/dbraw/zinc/77/54/42/1322775442.db2.gz VVPPVQYQYSRWJS-WBVHZDCISA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552328 1322775445 /nfs/dbraw/zinc/77/54/45/1322775445.db2.gz VVPPVQYQYSRWJS-WBVHZDCISA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552328 1322775449 /nfs/dbraw/zinc/77/54/49/1322775449.db2.gz VVPPVQYQYSRWJS-WBVHZDCISA-N 1 3 345.512 3.067 10 0 EGAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(OCc2ccccn2)cc1 ZINC000924714066 1323128511 /nfs/dbraw/zinc/12/85/11/1323128511.db2.gz OZHOGLXOTYXQEO-HTZLVSCSSA-N 1 3 337.467 3.090 10 0 EGAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(OCc2ccccn2)cc1 ZINC000924714066 1323128516 /nfs/dbraw/zinc/12/85/16/1323128516.db2.gz OZHOGLXOTYXQEO-HTZLVSCSSA-N 1 3 337.467 3.090 10 0 EGAEHO COc1cccc([C@@H](O)C2CC[NH+](CCCN3CCCCC3)CC2)c1 ZINC000860133381 1329153549 /nfs/dbraw/zinc/15/35/49/1329153549.db2.gz AFUPXMRIWUPJOH-NRFANRHFSA-N 1 3 346.515 3.317 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccc(COC3CCOCC3)c2)C1 ZINC000925476277 1325167079 /nfs/dbraw/zinc/16/70/79/1325167079.db2.gz HHVYOUNMUGFQOQ-OALUTQOASA-N 1 3 346.515 3.378 10 0 EGAEHO c1cc2c(cc1CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)OCCO2 ZINC000925581633 1325219026 /nfs/dbraw/zinc/21/90/26/1325219026.db2.gz UDPYVNKROOBIQW-MOPGFXCFSA-N 1 3 344.499 3.148 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000925597849 1325226823 /nfs/dbraw/zinc/22/68/23/1325226823.db2.gz OJQYPMPXSIBDEH-GJZGRUSLSA-N 1 3 348.878 3.428 10 0 EGAEHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1OCC ZINC000925780202 1325298374 /nfs/dbraw/zinc/29/83/74/1325298374.db2.gz SBSHVMYEYJVSDR-HIFRSBDPSA-N 1 3 342.430 3.379 10 0 EGAEHO Cc1ccccc1C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925790102 1325302774 /nfs/dbraw/zinc/30/27/74/1325302774.db2.gz DEYXBRNCHWUOLL-VQTJNVASSA-N 1 3 328.500 3.064 10 0 EGAEHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926150297 1325449067 /nfs/dbraw/zinc/44/90/67/1325449067.db2.gz JRNAXJRIVCMQSR-MRXNPFEDSA-N 1 3 325.884 3.060 10 0 EGAEHO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CC(C)(C)CN2CCCC2)n(C)n1 ZINC000926274950 1325500219 /nfs/dbraw/zinc/50/02/19/1325500219.db2.gz MEZPVGYLDDNUNW-IEBWSBKVSA-N 1 3 332.536 3.151 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859478 1387478827 /nfs/dbraw/zinc/47/88/27/1387478827.db2.gz WYIHKHGQJFTTDX-RMUOZIPVSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859478 1387478835 /nfs/dbraw/zinc/47/88/35/1387478835.db2.gz WYIHKHGQJFTTDX-RMUOZIPVSA-N 1 3 347.547 3.142 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCCC2CCCC2)CC1 ZINC001324251324 1387568877 /nfs/dbraw/zinc/56/88/77/1387568877.db2.gz SRWBSVDNGGILQH-FQEVSTJZSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658371 1387720572 /nfs/dbraw/zinc/72/05/72/1387720572.db2.gz VIFPYXFPMNZLJF-NQIIRXRSSA-N 1 3 347.547 3.332 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658371 1387720573 /nfs/dbraw/zinc/72/05/73/1387720573.db2.gz VIFPYXFPMNZLJF-NQIIRXRSSA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001324935519 1387832321 /nfs/dbraw/zinc/83/23/21/1387832321.db2.gz FQIYGFIJLJPDMV-UYAOXDASSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001324935519 1387832329 /nfs/dbraw/zinc/83/23/29/1387832329.db2.gz FQIYGFIJLJPDMV-UYAOXDASSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC001326491059 1388216369 /nfs/dbraw/zinc/21/63/69/1388216369.db2.gz WVNYBRDMUFQJBV-MRXNPFEDSA-N 1 3 331.504 3.094 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001326542762 1388235160 /nfs/dbraw/zinc/23/51/60/1388235160.db2.gz ZDRXOZMHAHZOLU-BZSNNMDCSA-N 1 3 339.568 3.275 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001265681969 1377159413 /nfs/dbraw/zinc/15/94/13/1377159413.db2.gz INMUCHAMORRDRR-WLMAVBAVSA-N 1 3 335.536 3.045 10 0 EGAEHO C[NH+](C)CCCCC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC001265688059 1377159841 /nfs/dbraw/zinc/15/98/41/1377159841.db2.gz LQQVIZHGDHAKNG-SFHVURJKSA-N 1 3 349.494 3.028 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001269178048 1377542209 /nfs/dbraw/zinc/54/22/09/1377542209.db2.gz XLOARSGYBBQLBW-CQQBRXBZSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001269178048 1377542211 /nfs/dbraw/zinc/54/22/11/1377542211.db2.gz XLOARSGYBBQLBW-CQQBRXBZSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001269740499 1377568608 /nfs/dbraw/zinc/56/86/08/1377568608.db2.gz HAXMIWGQTMHWJW-QWNKOJSDSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271591441 1377642556 /nfs/dbraw/zinc/64/25/56/1377642556.db2.gz KUJCQLOMFVQCBQ-HKUYNNGSSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285859 1378216245 /nfs/dbraw/zinc/21/62/45/1378216245.db2.gz RGDWVKJQZSOIQF-HKUYNNGSSA-N 1 3 346.519 3.091 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285859 1378216247 /nfs/dbraw/zinc/21/62/47/1378216247.db2.gz RGDWVKJQZSOIQF-HKUYNNGSSA-N 1 3 346.519 3.091 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001327532409 1388553479 /nfs/dbraw/zinc/55/34/79/1388553479.db2.gz XKKAUYQOWQKEOV-NRFANRHFSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001327532409 1388553482 /nfs/dbraw/zinc/55/34/82/1388553482.db2.gz XKKAUYQOWQKEOV-NRFANRHFSA-N 1 3 349.563 3.366 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)N(C)C ZINC001282677959 1378549575 /nfs/dbraw/zinc/54/95/75/1378549575.db2.gz LBCCMLHADFDDDK-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1)N(C)C ZINC001282677959 1378549580 /nfs/dbraw/zinc/54/95/80/1378549580.db2.gz LBCCMLHADFDDDK-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC001283052273 1378717935 /nfs/dbraw/zinc/71/79/35/1378717935.db2.gz NLHGBJCASGTLQF-CGBFIWBNSA-N 1 3 345.531 3.189 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001283344305 1378829171 /nfs/dbraw/zinc/82/91/71/1378829171.db2.gz PPAHLLOSEWRBCC-UHFFFAOYSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001283344305 1378829175 /nfs/dbraw/zinc/82/91/75/1378829175.db2.gz PPAHLLOSEWRBCC-UHFFFAOYSA-N 1 3 345.531 3.066 10 0 EGAEHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CCCC(C)(C)C)C2CC2)CCC1 ZINC001283511798 1378995343 /nfs/dbraw/zinc/99/53/43/1378995343.db2.gz XEEDPHRIBLUWII-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001284720425 1380140157 /nfs/dbraw/zinc/14/01/57/1380140157.db2.gz ZPGLHSWVWVSYTA-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC001328087241 1388667842 /nfs/dbraw/zinc/66/78/42/1388667842.db2.gz XVJNEJKZXABQSU-IAGOWNOFSA-N 1 3 326.488 3.470 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001328509169 1388767476 /nfs/dbraw/zinc/76/74/76/1388767476.db2.gz DZCCZCNHDSETQA-UHFFFAOYSA-N 1 3 346.519 3.093 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1=CCCCC1)C1CCC1 ZINC001328734720 1388833022 /nfs/dbraw/zinc/83/30/22/1388833022.db2.gz ZOOGBLXMMOVYQV-HXUWFJFHSA-N 1 3 347.547 3.284 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1=CCCCC1)C1CCC1 ZINC001328734720 1388833025 /nfs/dbraw/zinc/83/30/25/1388833025.db2.gz ZOOGBLXMMOVYQV-HXUWFJFHSA-N 1 3 347.547 3.284 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001316870429 1384655550 /nfs/dbraw/zinc/65/55/50/1384655550.db2.gz OOGBEWPQZBJGQA-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001316870429 1384655552 /nfs/dbraw/zinc/65/55/52/1384655552.db2.gz OOGBEWPQZBJGQA-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317140683 1384907826 /nfs/dbraw/zinc/90/78/26/1384907826.db2.gz RSQLGBTUZNARDS-KPDZFXRVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317140683 1384907828 /nfs/dbraw/zinc/90/78/28/1384907828.db2.gz RSQLGBTUZNARDS-KPDZFXRVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317141117 1384908583 /nfs/dbraw/zinc/90/85/83/1384908583.db2.gz XGHLKDDWXCQAHQ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317141117 1384908586 /nfs/dbraw/zinc/90/85/86/1384908586.db2.gz XGHLKDDWXCQAHQ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001317183229 1384958701 /nfs/dbraw/zinc/95/87/01/1384958701.db2.gz NIKRRERGGXWDOZ-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001317220821 1385001120 /nfs/dbraw/zinc/00/11/20/1385001120.db2.gz LGDCHKKJPGXQJD-CTWPCTMYSA-N 1 3 349.563 3.170 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2=CCCCC2)cc1)N(C)C ZINC001318995309 1385915440 /nfs/dbraw/zinc/91/54/40/1385915440.db2.gz AHZHAIMASRAMHN-HXUWFJFHSA-N 1 3 343.515 3.233 10 0 EGAEHO CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001319144972 1385977953 /nfs/dbraw/zinc/97/79/53/1385977953.db2.gz MFFUKGCIKCWKSN-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001319144972 1385977962 /nfs/dbraw/zinc/97/79/62/1385977962.db2.gz MFFUKGCIKCWKSN-UHFFFAOYSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001319403110 1386105162 /nfs/dbraw/zinc/10/51/62/1386105162.db2.gz QPRMZWHVBVBHLD-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319533916 1386165575 /nfs/dbraw/zinc/16/55/75/1386165575.db2.gz LGHSKAJULPSANX-KRWDZBQOSA-N 1 3 337.552 3.291 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001319558982 1386177964 /nfs/dbraw/zinc/17/79/64/1386177964.db2.gz CHYXEVVHQYNMQQ-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001319591997 1386194133 /nfs/dbraw/zinc/19/41/33/1386194133.db2.gz GDLDYTIKEGEXDU-QGZVFWFLSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001319592362 1386194755 /nfs/dbraw/zinc/19/47/55/1386194755.db2.gz JQFCXXNBUBGHQL-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915850 1386387797 /nfs/dbraw/zinc/38/77/97/1386387797.db2.gz CAOIPUBZFTUNJX-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC[C@H](C)F)CCCCC1 ZINC001329819497 1389231003 /nfs/dbraw/zinc/23/10/03/1389231003.db2.gz YOPYWRUNJBHPFU-DLBZAZTESA-N 1 3 341.515 3.016 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001698731990 1406381041 /nfs/dbraw/zinc/38/10/41/1406381041.db2.gz ABSNRSJCSMYYOG-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001332900245 1390213041 /nfs/dbraw/zinc/21/30/41/1390213041.db2.gz TXRSSMVLWVOELO-IRXDYDNUSA-N 1 3 325.541 3.026 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001698804116 1406483380 /nfs/dbraw/zinc/48/33/80/1406483380.db2.gz SFTUSAAKXBWPGP-IAGOWNOFSA-N 1 3 341.515 3.016 10 0 EGAEHO CC(C)n1ncc2c1[C@H]([NH2+]Cc1ccnn1-c1ccncc1)CCC2 ZINC001350135753 1391419146 /nfs/dbraw/zinc/41/91/46/1391419146.db2.gz JBGYSFZPCQMHCM-GOSISDBHSA-N 1 3 336.443 3.212 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1)c1ccccc1 ZINC001488844814 1391734076 /nfs/dbraw/zinc/73/40/76/1391734076.db2.gz XUPBSBSJHCKLIV-ZHALLVOQSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001698845569 1406546448 /nfs/dbraw/zinc/54/64/48/1406546448.db2.gz LEKJTCLWNXWTPL-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001479695686 1392326041 /nfs/dbraw/zinc/32/60/41/1392326041.db2.gz ZHRSFWLLSHLTFN-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479739633 1392353073 /nfs/dbraw/zinc/35/30/73/1392353073.db2.gz GANWULLBEDNPGF-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479739633 1392353076 /nfs/dbraw/zinc/35/30/76/1392353076.db2.gz GANWULLBEDNPGF-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO CC(C)c1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001479909326 1392477124 /nfs/dbraw/zinc/47/71/24/1392477124.db2.gz ZPGOEGRMKXSQFH-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001480066610 1392558913 /nfs/dbraw/zinc/55/89/13/1392558913.db2.gz PTRXIHZDCYUXIV-XLIONFOSSA-N 1 3 345.531 3.189 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085156 1392574922 /nfs/dbraw/zinc/57/49/22/1392574922.db2.gz QBDKFABXYDDITM-DLBZAZTESA-N 1 3 349.494 3.009 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272718 1392656137 /nfs/dbraw/zinc/65/61/37/1392656137.db2.gz YLOPOJFYKGNFLS-QUCCMNQESA-N 1 3 345.531 3.306 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272718 1392656138 /nfs/dbraw/zinc/65/61/38/1392656138.db2.gz YLOPOJFYKGNFLS-QUCCMNQESA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001490580108 1394272683 /nfs/dbraw/zinc/27/26/83/1394272683.db2.gz OIIOJIAZESAFDF-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001490580108 1394272686 /nfs/dbraw/zinc/27/26/86/1394272686.db2.gz OIIOJIAZESAFDF-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001491054755 1394413921 /nfs/dbraw/zinc/41/39/21/1394413921.db2.gz DHVCYLJPWHHPRF-OWCVQMPJSA-N 1 3 337.552 3.027 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001491189602 1394463972 /nfs/dbraw/zinc/46/39/72/1394463972.db2.gz COXZLRLNVRLJFJ-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001491189604 1394464066 /nfs/dbraw/zinc/46/40/66/1394464066.db2.gz COXZLRLNVRLJFJ-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO CCCCC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001482231156 1394825414 /nfs/dbraw/zinc/82/54/14/1394825414.db2.gz MOVIYMIJSDGNSS-GOSISDBHSA-N 1 3 337.552 3.460 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001482238026 1394833127 /nfs/dbraw/zinc/83/31/27/1394833127.db2.gz DGFMCZVJQFLZOU-INIZCTEOSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CCCC1 ZINC001482238127 1394834861 /nfs/dbraw/zinc/83/48/61/1394834861.db2.gz HISVFKDZLHBKCB-UHFFFAOYSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161498 1395296000 /nfs/dbraw/zinc/29/60/00/1395296000.db2.gz WTHJDAYIGCAJGH-AQKVLALTSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161498 1395296003 /nfs/dbraw/zinc/29/60/03/1395296003.db2.gz WTHJDAYIGCAJGH-AQKVLALTSA-N 1 3 349.563 3.435 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@](C)(CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001484176710 1395322525 /nfs/dbraw/zinc/32/25/25/1395322525.db2.gz ZYIQTXITKKHFQL-OAQYLSRUSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@](C)(CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001484176710 1395322532 /nfs/dbraw/zinc/32/25/32/1395322532.db2.gz ZYIQTXITKKHFQL-OAQYLSRUSA-N 1 3 345.531 3.054 10 0 EGAEHO CC[C@H](C(=O)N1CCC(C[N@H+](CC)CCC(C)(C)C)CC1)N(C)C ZINC001485030593 1395645888 /nfs/dbraw/zinc/64/58/88/1395645888.db2.gz HECBJQMJFNLOKW-GOSISDBHSA-N 1 3 339.568 3.323 10 0 EGAEHO CC[C@H](C(=O)N1CCC(C[N@@H+](CC)CCC(C)(C)C)CC1)N(C)C ZINC001485030593 1395645895 /nfs/dbraw/zinc/64/58/95/1395645895.db2.gz HECBJQMJFNLOKW-GOSISDBHSA-N 1 3 339.568 3.323 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485155761 1395671858 /nfs/dbraw/zinc/67/18/58/1395671858.db2.gz LFYFHFYPGBTSTP-CVEARBPZSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)[C@@H](C)c1cccc(F)c1 ZINC001485336451 1395809497 /nfs/dbraw/zinc/80/94/97/1395809497.db2.gz KREFCUYBWVHINA-HOTGVXAUSA-N 1 3 349.494 3.198 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C)N(CC)CC ZINC001485482100 1395965859 /nfs/dbraw/zinc/96/58/59/1395965859.db2.gz IQSJZWXDGKUCPA-MOPGFXCFSA-N 1 3 337.552 3.434 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC=C(C)C)N(CC)CC ZINC001485482100 1395965866 /nfs/dbraw/zinc/96/58/66/1395965866.db2.gz IQSJZWXDGKUCPA-MOPGFXCFSA-N 1 3 337.552 3.434 10 0 EGAEHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001492091582 1396303736 /nfs/dbraw/zinc/30/37/36/1396303736.db2.gz FAPRAPGTIFGFHN-QUCCMNQESA-N 1 3 345.531 3.242 10 0 EGAEHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001492091584 1396303807 /nfs/dbraw/zinc/30/38/07/1396303807.db2.gz FAPRAPGTIFGFHN-UYAOXDASSA-N 1 3 345.531 3.242 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1)N(C)C ZINC001492164925 1396310894 /nfs/dbraw/zinc/31/08/94/1396310894.db2.gz JJMGYAKRBPOYAU-MOPGFXCFSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1)N(C)C ZINC001492164925 1396310895 /nfs/dbraw/zinc/31/08/95/1396310895.db2.gz JJMGYAKRBPOYAU-MOPGFXCFSA-N 1 3 349.494 3.027 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140073 1396338257 /nfs/dbraw/zinc/33/82/57/1396338257.db2.gz NFFKEAJOUYTCPA-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140073 1396338258 /nfs/dbraw/zinc/33/82/58/1396338258.db2.gz NFFKEAJOUYTCPA-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)C[N@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001723641059 1424509223 /nfs/dbraw/zinc/50/92/23/1424509223.db2.gz WSHXMEAGGSXHFO-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)C[N@@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001723641059 1424509229 /nfs/dbraw/zinc/50/92/29/1424509229.db2.gz WSHXMEAGGSXHFO-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001690051793 1404285141 /nfs/dbraw/zinc/28/51/41/1404285141.db2.gz TYJPOOOOKUMIAC-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001690051793 1404285143 /nfs/dbraw/zinc/28/51/43/1404285143.db2.gz TYJPOOOOKUMIAC-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001690394348 1404537449 /nfs/dbraw/zinc/53/74/49/1404537449.db2.gz XVSVEWOFWUMRDH-LJQANCHMSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001690394348 1404537451 /nfs/dbraw/zinc/53/74/51/1404537451.db2.gz XVSVEWOFWUMRDH-LJQANCHMSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788983 1404736010 /nfs/dbraw/zinc/73/60/10/1404736010.db2.gz YEBYAYRLYBFFLU-RTBURBONSA-N 1 3 335.536 3.234 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001691037497 1404946379 /nfs/dbraw/zinc/94/63/79/1404946379.db2.gz OQPNSRSWWVTTRZ-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001691037497 1404946382 /nfs/dbraw/zinc/94/63/82/1404946382.db2.gz OQPNSRSWWVTTRZ-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001691061480 1404985468 /nfs/dbraw/zinc/98/54/68/1404985468.db2.gz GTCLSCVOMMMNMA-MGBKSAOESA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001691061480 1404985471 /nfs/dbraw/zinc/98/54/71/1404985471.db2.gz GTCLSCVOMMMNMA-MGBKSAOESA-N 1 3 335.536 3.138 10 0 EGAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001691892977 1405615536 /nfs/dbraw/zinc/61/55/36/1405615536.db2.gz KCPPIOCSDMKHEW-RTBURBONSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001691892977 1405615540 /nfs/dbraw/zinc/61/55/40/1405615540.db2.gz KCPPIOCSDMKHEW-RTBURBONSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001692074141 1405761114 /nfs/dbraw/zinc/76/11/14/1405761114.db2.gz CVWUZXGJNUBXMR-XLIONFOSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001692329388 1405947768 /nfs/dbraw/zinc/94/77/68/1405947768.db2.gz IBYSJZPWLDGPON-BDUNBXCCSA-N 1 3 332.492 3.059 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568879 1406172546 /nfs/dbraw/zinc/17/25/46/1406172546.db2.gz GWCPVROLXFOMDA-WOJBJXKFSA-N 1 3 345.531 3.148 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001732084717 1428343498 /nfs/dbraw/zinc/34/34/98/1428343498.db2.gz SZTRSQWMHMNSKD-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001732084717 1428343501 /nfs/dbraw/zinc/34/35/01/1428343501.db2.gz SZTRSQWMHMNSKD-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001732084768 1428343623 /nfs/dbraw/zinc/34/36/23/1428343623.db2.gz UWJPLQFEIOFIMF-DLBZAZTESA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001732084768 1428343626 /nfs/dbraw/zinc/34/36/26/1428343626.db2.gz UWJPLQFEIOFIMF-DLBZAZTESA-N 1 3 349.494 3.007 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732212160 1428460072 /nfs/dbraw/zinc/46/00/72/1428460072.db2.gz PRWUHGRXIFBBJQ-UHMOSQCASA-N 1 3 341.515 3.040 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001732307765 1428522625 /nfs/dbraw/zinc/52/26/25/1428522625.db2.gz MCQXDHPUSWWDJO-BZSNNMDCSA-N 1 3 341.515 3.016 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001732399889 1428566161 /nfs/dbraw/zinc/56/61/61/1428566161.db2.gz IZCBXOBNSMNRJV-CALCHBBNSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CC3CCC(C)CC3)C2)CC1 ZINC001732405165 1428568562 /nfs/dbraw/zinc/56/85/62/1428568562.db2.gz IOQFWHNNBYVXJV-UHFFFAOYSA-N 1 3 349.563 3.077 10 0 EGAEHO CCc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001699161215 1412544888 /nfs/dbraw/zinc/54/48/88/1412544888.db2.gz VPCFYFIVQABUNH-FXAWDEMLSA-N 1 3 345.531 3.108 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001699554749 1412921790 /nfs/dbraw/zinc/92/17/90/1412921790.db2.gz YEUXMLVOXPOPAQ-ICSRJNTNSA-N 1 3 345.531 3.369 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCC1 ZINC001699796099 1413205254 /nfs/dbraw/zinc/20/52/54/1413205254.db2.gz LJVFAJZJNRZNRN-VQTJNVASSA-N 1 3 349.563 3.480 10 0 EGAEHO CCCCCN1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001700252283 1413698122 /nfs/dbraw/zinc/69/81/22/1413698122.db2.gz FMCIEURFMLAAAZ-UHFFFAOYSA-N 1 3 343.515 3.150 10 0 EGAEHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732584817 1428795652 /nfs/dbraw/zinc/79/56/52/1428795652.db2.gz CHVJCWMCPRASSD-LPHOPBHVSA-N 1 3 349.494 3.151 10 0 EGAEHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001732584817 1428795657 /nfs/dbraw/zinc/79/56/57/1428795657.db2.gz CHVJCWMCPRASSD-LPHOPBHVSA-N 1 3 349.494 3.151 10 0 EGAEHO CN(CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC1=CCCCC1 ZINC001732584839 1428795864 /nfs/dbraw/zinc/79/58/64/1428795864.db2.gz DAVHZAYECMKAHA-HXUWFJFHSA-N 1 3 347.547 3.284 10 0 EGAEHO CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC1=CCCCC1 ZINC001732584839 1428795868 /nfs/dbraw/zinc/79/58/68/1428795868.db2.gz DAVHZAYECMKAHA-HXUWFJFHSA-N 1 3 347.547 3.284 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001700875653 1414530399 /nfs/dbraw/zinc/53/03/99/1414530399.db2.gz SZPWYUWPFDVKIS-UFYCRDLUSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001732597477 1428838298 /nfs/dbraw/zinc/83/82/98/1428838298.db2.gz NECDHRXGPDMHIX-KDURUIRLSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001732597477 1428838304 /nfs/dbraw/zinc/83/83/04/1428838304.db2.gz NECDHRXGPDMHIX-KDURUIRLSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)N1CCCCC1 ZINC001707083136 1417191147 /nfs/dbraw/zinc/19/11/47/1417191147.db2.gz OVVOJZSBUHFMBR-WGSAOQKQSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001733054020 1429195114 /nfs/dbraw/zinc/19/51/14/1429195114.db2.gz LVSFQPCPOHIVDI-FUHWJXTLSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001733054020 1429195117 /nfs/dbraw/zinc/19/51/17/1429195117.db2.gz LVSFQPCPOHIVDI-FUHWJXTLSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713202466 1417772620 /nfs/dbraw/zinc/77/26/20/1417772620.db2.gz FKSIDMZLJIWYQY-KSZLIROESA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001713438623 1418071779 /nfs/dbraw/zinc/07/17/79/1418071779.db2.gz GQLXWOCLURKQEZ-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001713438623 1418071782 /nfs/dbraw/zinc/07/17/82/1418071782.db2.gz GQLXWOCLURKQEZ-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713538309 1418294100 /nfs/dbraw/zinc/29/41/00/1418294100.db2.gz IOPKLCVAQZJWPK-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713538309 1418294103 /nfs/dbraw/zinc/29/41/03/1418294103.db2.gz IOPKLCVAQZJWPK-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC1CCC(C)CC1)C1CC1 ZINC001713566357 1418377393 /nfs/dbraw/zinc/37/73/93/1418377393.db2.gz VFACGPHZMORAOW-QLOJAFMTSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CCC(C)CC1)C1CC1 ZINC001713566357 1418377398 /nfs/dbraw/zinc/37/73/98/1418377398.db2.gz VFACGPHZMORAOW-QLOJAFMTSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001733144407 1429261198 /nfs/dbraw/zinc/26/11/98/1429261198.db2.gz FEEFPRQHBPOCDG-HKUYNNGSSA-N 1 3 331.504 3.060 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742498 1418545045 /nfs/dbraw/zinc/54/50/45/1418545045.db2.gz YZHUJUMBPQCWHY-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742498 1418545046 /nfs/dbraw/zinc/54/50/46/1418545046.db2.gz YZHUJUMBPQCWHY-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978385 1418759948 /nfs/dbraw/zinc/75/99/48/1418759948.db2.gz UTKHIYYQTJFDHA-RTBURBONSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978385 1418759952 /nfs/dbraw/zinc/75/99/52/1418759952.db2.gz UTKHIYYQTJFDHA-RTBURBONSA-N 1 3 349.563 3.077 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075631 1418869966 /nfs/dbraw/zinc/86/99/66/1418869966.db2.gz YUEJFOYMUKZIJM-UXHICEINSA-N 1 3 345.531 3.161 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092613 1418886479 /nfs/dbraw/zinc/88/64/79/1418886479.db2.gz AVTYWMYHOJYKJL-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001714107555 1418907214 /nfs/dbraw/zinc/90/72/14/1418907214.db2.gz RSVQQCPSIMUUFG-ICSRJNTNSA-N 1 3 345.531 3.244 10 0 EGAEHO CCC(CC)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001714188057 1418995211 /nfs/dbraw/zinc/99/52/11/1418995211.db2.gz SWQWEZYPMUNWKN-ACBHZAAOSA-N 1 3 337.552 3.312 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001733198350 1429300425 /nfs/dbraw/zinc/30/04/25/1429300425.db2.gz KJWUNFDOHBUTOD-MOPGFXCFSA-N 1 3 335.536 3.044 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001714448912 1419181549 /nfs/dbraw/zinc/18/15/49/1419181549.db2.gz NBRCFMKXISZBHN-KRWDZBQOSA-N 1 3 339.568 3.323 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001714448912 1419181551 /nfs/dbraw/zinc/18/15/51/1419181551.db2.gz NBRCFMKXISZBHN-KRWDZBQOSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571400 1419303577 /nfs/dbraw/zinc/30/35/77/1419303577.db2.gz CPNMVAYACRMPAC-APWZRJJASA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(C)cc1C ZINC001715068451 1419804093 /nfs/dbraw/zinc/80/40/93/1419804093.db2.gz KKZXNKHCVZKFHJ-LJQANCHMSA-N 1 3 345.531 3.162 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001715210637 1419943728 /nfs/dbraw/zinc/94/37/28/1419943728.db2.gz SGDINAOYMZEXPZ-HKVCONOFSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2CC[NH2+]CCCF)c1 ZINC001715255223 1419978274 /nfs/dbraw/zinc/97/82/74/1419978274.db2.gz SQFVHFLBNXEPGV-IBGZPJMESA-N 1 3 349.494 3.082 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376643 1420072738 /nfs/dbraw/zinc/07/27/38/1420072738.db2.gz KLFOXLSGVKZAQP-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441182 1420126562 /nfs/dbraw/zinc/12/65/62/1420126562.db2.gz YAVKWOVFVQDZTR-ICSRJNTNSA-N 1 3 349.563 3.435 10 0 EGAEHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001715953988 1420420186 /nfs/dbraw/zinc/42/01/86/1420420186.db2.gz OXYNWLOUGPRGHW-YLJYHZDGSA-N 1 3 345.531 3.106 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001715978098 1420438147 /nfs/dbraw/zinc/43/81/47/1420438147.db2.gz VIIJYZDLXCXVOB-XQZMWFFBSA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001715987679 1420444765 /nfs/dbraw/zinc/44/47/65/1420444765.db2.gz PFZGFKLAOAYPAT-JXFKEZNVSA-N 1 3 345.531 3.135 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001716145019 1420541154 /nfs/dbraw/zinc/54/11/54/1420541154.db2.gz CAMNEOMEUUOIBN-ZWKOTPCHSA-N 1 3 345.531 3.333 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001716378209 1420624187 /nfs/dbraw/zinc/62/41/87/1420624187.db2.gz HCJJOMNWSCWEKK-RIOIIYTLSA-N 1 3 347.478 3.023 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001716455220 1420670218 /nfs/dbraw/zinc/67/02/18/1420670218.db2.gz SVSVCFGLWSNQIR-ICSRJNTNSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001716511935 1420742630 /nfs/dbraw/zinc/74/26/30/1420742630.db2.gz IVSRLFKRGXYZBV-MOPGFXCFSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001716768875 1420913881 /nfs/dbraw/zinc/91/38/81/1420913881.db2.gz HMKXEXSDQGLMQS-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975955 1421059182 /nfs/dbraw/zinc/05/91/82/1421059182.db2.gz VIBOUUZKQIHURD-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001717117077 1421121435 /nfs/dbraw/zinc/12/14/35/1421121435.db2.gz ZUXDIRUALPICFD-VQIMIIECSA-N 1 3 349.494 3.186 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001717117077 1421121436 /nfs/dbraw/zinc/12/14/36/1421121436.db2.gz ZUXDIRUALPICFD-VQIMIIECSA-N 1 3 349.494 3.186 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001733287466 1429462298 /nfs/dbraw/zinc/46/22/98/1429462298.db2.gz FXGLXLHOEYUKNY-CTNGQTDRSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001733287466 1429462299 /nfs/dbraw/zinc/46/22/99/1429462299.db2.gz FXGLXLHOEYUKNY-CTNGQTDRSA-N 1 3 349.563 3.223 10 0 EGAEHO CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001717238380 1421206380 /nfs/dbraw/zinc/20/63/80/1421206380.db2.gz TYDYWOWDSJGBEF-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695336 1421569779 /nfs/dbraw/zinc/56/97/79/1421569779.db2.gz FOHRALSDRDFOEL-WMZOPIPTSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001717758606 1421621327 /nfs/dbraw/zinc/62/13/27/1421621327.db2.gz YGTJGFPKPLTSHC-PKOBYXMFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001717888143 1421689124 /nfs/dbraw/zinc/68/91/24/1421689124.db2.gz YVGFGAWPMCGZMG-APWZRJJASA-N 1 3 331.504 3.036 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959829 1421731272 /nfs/dbraw/zinc/73/12/72/1421731272.db2.gz INGHBJJUMPQCFG-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001717985528 1421758177 /nfs/dbraw/zinc/75/81/77/1421758177.db2.gz MXZAKGKDKYZOOR-HOTGVXAUSA-N 1 3 348.535 3.160 10 0 EGAEHO Cc1cc(CN2CC[C@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406032 1429603188 /nfs/dbraw/zinc/60/31/88/1429603188.db2.gz LCDSXFJZVMHQCR-MJGOQNOKSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CC[C@](C)(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC001733406032 1429603192 /nfs/dbraw/zinc/60/31/92/1429603192.db2.gz LCDSXFJZVMHQCR-MJGOQNOKSA-N 1 3 349.544 3.012 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414061 1429617206 /nfs/dbraw/zinc/61/72/06/1429617206.db2.gz XDDCEOWGCSQQFP-ICSRJNTNSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414061 1429617207 /nfs/dbraw/zinc/61/72/07/1429617207.db2.gz XDDCEOWGCSQQFP-ICSRJNTNSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001733451111 1429663091 /nfs/dbraw/zinc/66/30/91/1429663091.db2.gz GNDJZGQMUFLMQA-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CCC(CC)CN1CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001723439942 1424405538 /nfs/dbraw/zinc/40/55/38/1424405538.db2.gz RRFDHQUXRYPVSC-GOSISDBHSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC(CC)CN1CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001723439942 1424405541 /nfs/dbraw/zinc/40/55/41/1424405541.db2.gz RRFDHQUXRYPVSC-GOSISDBHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173008 1424706674 /nfs/dbraw/zinc/70/66/74/1424706674.db2.gz GVIAJEZUXXSEKU-CTNGQTDRSA-N 1 3 345.531 3.196 10 0 EGAEHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001724613857 1424957466 /nfs/dbraw/zinc/95/74/66/1424957466.db2.gz OQRBHXDMZMGSNS-CWIIOTMOSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001724613857 1424957467 /nfs/dbraw/zinc/95/74/67/1424957467.db2.gz OQRBHXDMZMGSNS-CWIIOTMOSA-N 1 3 349.563 3.288 10 0 EGAEHO CC(C)=CC[NH2+]CCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001733570233 1429773366 /nfs/dbraw/zinc/77/33/66/1429773366.db2.gz WCIMEVIDFAIYEV-UHFFFAOYSA-N 1 3 343.515 3.055 10 0 EGAEHO CCCCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001733574423 1429777266 /nfs/dbraw/zinc/77/72/66/1429777266.db2.gz UAFBZXACOOFGNK-KDURUIRLSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001733574423 1429777269 /nfs/dbraw/zinc/77/72/69/1429777269.db2.gz UAFBZXACOOFGNK-KDURUIRLSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H](NCc1ccsc1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001724748945 1425118519 /nfs/dbraw/zinc/11/85/19/1425118519.db2.gz LOYRGCJDTJNZGY-HNNXBMFYSA-N 1 3 345.512 3.167 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001724750164 1425119823 /nfs/dbraw/zinc/11/98/23/1425119823.db2.gz RHPWGIWULSHTGO-APWZRJJASA-N 1 3 349.494 3.043 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001724750164 1425119828 /nfs/dbraw/zinc/11/98/28/1425119828.db2.gz RHPWGIWULSHTGO-APWZRJJASA-N 1 3 349.494 3.043 10 0 EGAEHO C[NH+](C)CCC(=O)NCc1ccc2c(c1)CN(CCCC1CCC1)C2 ZINC001724924073 1425312905 /nfs/dbraw/zinc/31/29/05/1425312905.db2.gz SSFAQVWFBJFWRD-UHFFFAOYSA-N 1 3 343.515 3.150 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966064 1425358354 /nfs/dbraw/zinc/35/83/54/1425358354.db2.gz LKQWZICGMQDXCV-HPFMTEOYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001724966064 1425358358 /nfs/dbraw/zinc/35/83/58/1425358358.db2.gz LKQWZICGMQDXCV-HPFMTEOYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1)N(C)C ZINC001725029472 1425449647 /nfs/dbraw/zinc/44/96/47/1425449647.db2.gz JXGXAQGQZHQTFI-SLFFLAALSA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001725132975 1425604197 /nfs/dbraw/zinc/60/41/97/1425604197.db2.gz XMGHAXUVQYVEJP-IAGOWNOFSA-N 1 3 339.483 3.045 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172345 1425682918 /nfs/dbraw/zinc/68/29/18/1425682918.db2.gz LBJNFERCKPTTNT-ZWKOTPCHSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172345 1425682919 /nfs/dbraw/zinc/68/29/19/1425682919.db2.gz LBJNFERCKPTTNT-ZWKOTPCHSA-N 1 3 345.531 3.367 10 0 EGAEHO CC(C)c1ccc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001725260854 1425890637 /nfs/dbraw/zinc/89/06/37/1425890637.db2.gz TXRBXRBJVHNOLV-QGZVFWFLSA-N 1 3 345.531 3.088 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001725656184 1426339410 /nfs/dbraw/zinc/33/94/10/1426339410.db2.gz SUHYLMJEVBEXFN-VGRIIWOTSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCCC[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001725684139 1426371859 /nfs/dbraw/zinc/37/18/59/1426371859.db2.gz YGDUJNIXVADTNU-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001731248022 1427201845 /nfs/dbraw/zinc/20/18/45/1427201845.db2.gz IPRYMYRZOKWFSY-QZTJIDSGSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cs1 ZINC001731248022 1427201850 /nfs/dbraw/zinc/20/18/50/1427201850.db2.gz IPRYMYRZOKWFSY-QZTJIDSGSA-N 1 3 349.544 3.012 10 0 EGAEHO CN(C)C1(C(=O)N(C)C2CC[NH+](CCC3CCCCC3)CC2)CCC1 ZINC001731366445 1427298255 /nfs/dbraw/zinc/29/82/55/1427298255.db2.gz YONNNEGRTZDSIV-UHFFFAOYSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391598 1427343706 /nfs/dbraw/zinc/34/37/06/1427343706.db2.gz HMQSNAVDHQPFHE-WOJBJXKFSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1)N1CCCC1 ZINC001731401931 1427362362 /nfs/dbraw/zinc/36/23/62/1427362362.db2.gz LRIGTZYVPFMYLG-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503498 1427487155 /nfs/dbraw/zinc/48/71/55/1427487155.db2.gz MIXWVDAWFBKNHD-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503498 1427487156 /nfs/dbraw/zinc/48/71/56/1427487156.db2.gz MIXWVDAWFBKNHD-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)N1CCCCC1 ZINC001731545769 1427562992 /nfs/dbraw/zinc/56/29/92/1427562992.db2.gz CTWJKYHQSXPYCV-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001731559965 1427593653 /nfs/dbraw/zinc/59/36/53/1427593653.db2.gz TZIFLHMLXJSHBK-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001731559965 1427593656 /nfs/dbraw/zinc/59/36/56/1427593656.db2.gz TZIFLHMLXJSHBK-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001731591460 1427633323 /nfs/dbraw/zinc/63/33/23/1427633323.db2.gz FYWBIBXPTIEYDM-FXAWDEMLSA-N 1 3 345.531 3.277 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001733682759 1429896675 /nfs/dbraw/zinc/89/66/75/1429896675.db2.gz VRVQJIQNNOTMTA-QFBILLFUSA-N 1 3 349.494 3.186 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001733761035 1429976211 /nfs/dbraw/zinc/97/62/11/1429976211.db2.gz NVIWOQJNFYNXHY-GOSISDBHSA-N 1 3 347.547 3.022 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001733761035 1429976214 /nfs/dbraw/zinc/97/62/14/1429976214.db2.gz NVIWOQJNFYNXHY-GOSISDBHSA-N 1 3 347.547 3.022 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763383 1429981525 /nfs/dbraw/zinc/98/15/25/1429981525.db2.gz JNJFBFBQTFDMOM-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)CC2)C1 ZINC001733763383 1429981528 /nfs/dbraw/zinc/98/15/28/1429981528.db2.gz JNJFBFBQTFDMOM-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC(C)C)CC1 ZINC001733809771 1430085804 /nfs/dbraw/zinc/08/58/04/1430085804.db2.gz ULEOYPUCSBHWFN-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001734123614 1437903289 /nfs/dbraw/zinc/90/32/89/1437903289.db2.gz GXBPFSRNUYZFEC-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1ccc(C[N@@H+](C)CCN(C(=O)CN(C)C2CCC2)C(C)C)cc1 ZINC001734550936 1438148316 /nfs/dbraw/zinc/14/83/16/1438148316.db2.gz HGYUIXBBRZQYBD-UHFFFAOYSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1ccc(C[N@H+](C)CCN(C(=O)CN(C)C2CCC2)C(C)C)cc1 ZINC001734550936 1438148318 /nfs/dbraw/zinc/14/83/18/1438148318.db2.gz HGYUIXBBRZQYBD-UHFFFAOYSA-N 1 3 345.531 3.148 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001734626059 1438190981 /nfs/dbraw/zinc/19/09/81/1438190981.db2.gz OOBCWRXBWRWJMI-LJQANCHMSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001734626059 1438190982 /nfs/dbraw/zinc/19/09/82/1438190982.db2.gz OOBCWRXBWRWJMI-LJQANCHMSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001734636902 1438196757 /nfs/dbraw/zinc/19/67/57/1438196757.db2.gz QSJBSGQNGIAXBI-SFHVURJKSA-N 1 3 343.515 3.146 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001734636902 1438196760 /nfs/dbraw/zinc/19/67/60/1438196760.db2.gz QSJBSGQNGIAXBI-SFHVURJKSA-N 1 3 343.515 3.146 10 0 EGAEHO C[C@@H]1CC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000230182043 201044562 /nfs/dbraw/zinc/04/45/62/201044562.db2.gz UUYSRAQLRODBNB-BQLRMLCTSA-N 1 3 328.500 3.443 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000249382068 201179203 /nfs/dbraw/zinc/17/92/03/201179203.db2.gz TZYUROYDZPQDOY-CHWSQXEVSA-N 1 3 341.293 3.450 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[nH]n1 ZINC000230099231 242230587 /nfs/dbraw/zinc/23/05/87/242230587.db2.gz YWDKSTPIWLATPN-FCXXMXSZSA-N 1 3 338.499 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n[nH]1 ZINC000230099231 242230593 /nfs/dbraw/zinc/23/05/93/242230593.db2.gz YWDKSTPIWLATPN-FCXXMXSZSA-N 1 3 338.499 3.149 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268834783 252282965 /nfs/dbraw/zinc/28/29/65/252282965.db2.gz GIIOCEGBXQBGFG-XLIONFOSSA-N 1 3 326.488 3.082 10 0 EGAEHO CCCn1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000310280872 154143046 /nfs/dbraw/zinc/14/30/46/154143046.db2.gz WKKFEZBHTQYPMM-YLJYHZDGSA-N 1 3 326.488 3.293 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000337355287 154303817 /nfs/dbraw/zinc/30/38/17/154303817.db2.gz ANRKZXCGALFUCM-INIZCTEOSA-N 1 3 346.544 3.363 10 0 EGAEHO CN1CC[C@@H]([NH2+]CC[C@H]2CCCCN2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352103369 165236939 /nfs/dbraw/zinc/23/69/39/165236939.db2.gz OAABXSNXFWCSJH-LZQZEXGQSA-N 1 3 337.458 3.174 10 0 EGAEHO c1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)n(-c2ccccc2)n1 ZINC000355214881 166135720 /nfs/dbraw/zinc/13/57/20/166135720.db2.gz HJWNITGXHBMGBB-FQEVSTJZSA-N 1 3 346.478 3.484 10 0 EGAEHO COCCOCc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000367298207 168203685 /nfs/dbraw/zinc/20/36/85/168203685.db2.gz BLZUPYQFHBGILT-UHFFFAOYSA-N 1 3 346.515 3.157 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000367600844 168248245 /nfs/dbraw/zinc/24/82/45/168248245.db2.gz LGPWNUVMJLASMC-LJQANCHMSA-N 1 3 342.487 3.298 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@@H]2CCC[C@@H]21 ZINC000367627470 168252378 /nfs/dbraw/zinc/25/23/78/168252378.db2.gz TVNWXBGJSJYYKN-MPGHIAIKSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@@H]2CCC[C@@H]21 ZINC000367627470 168252381 /nfs/dbraw/zinc/25/23/81/168252381.db2.gz TVNWXBGJSJYYKN-MPGHIAIKSA-N 1 3 342.512 3.210 10 0 EGAEHO Cc1ncc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)s1 ZINC000090418229 302702101 /nfs/dbraw/zinc/70/21/01/302702101.db2.gz PXRKFDIPIFTEAK-OAHLLOKOSA-N 1 3 336.549 3.052 10 0 EGAEHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000414808894 309102838 /nfs/dbraw/zinc/10/28/38/309102838.db2.gz LHSMIUPPFHYKQZ-ZDUSSCGKSA-N 1 3 330.428 3.022 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000414808987 309102932 /nfs/dbraw/zinc/10/29/32/309102932.db2.gz LQBHDNAHRGCGSW-LBPRGKRZSA-N 1 3 332.831 3.421 10 0 EGAEHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)c1 ZINC000414863164 309106141 /nfs/dbraw/zinc/10/61/41/309106141.db2.gz WYMOQFKRXXSRKB-HNNXBMFYSA-N 1 3 333.476 3.054 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414910412 309108820 /nfs/dbraw/zinc/10/88/20/309108820.db2.gz CSBWPWVETUYPRX-SWHYSGLUSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414910412 309108821 /nfs/dbraw/zinc/10/88/21/309108821.db2.gz CSBWPWVETUYPRX-SWHYSGLUSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414945484 309110683 /nfs/dbraw/zinc/11/06/83/309110683.db2.gz RRSVUCBKYVMAFX-UEKVPHQBSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414945484 309110682 /nfs/dbraw/zinc/11/06/82/309110682.db2.gz RRSVUCBKYVMAFX-UEKVPHQBSA-N 1 3 329.257 3.107 10 0 EGAEHO FC(F)CN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377367 309203605 /nfs/dbraw/zinc/20/36/05/309203605.db2.gz CXQNWDPTAJXTBG-OKYOBFRVSA-N 1 3 349.469 3.111 10 0 EGAEHO FC(F)CN1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417377367 309203606 /nfs/dbraw/zinc/20/36/06/309203606.db2.gz CXQNWDPTAJXTBG-OKYOBFRVSA-N 1 3 349.469 3.111 10 0 EGAEHO COc1ccc([C@H](CN)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000420405439 309286703 /nfs/dbraw/zinc/28/67/03/309286703.db2.gz MVXFZVUSFSFVHP-ZVDOUQERSA-N 1 3 340.467 3.105 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744294 309366295 /nfs/dbraw/zinc/36/62/95/309366295.db2.gz JVKZSQFQDUKXBF-QUCCMNQESA-N 1 3 327.472 3.017 10 0 EGAEHO Fc1cc(F)cc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839655 309371336 /nfs/dbraw/zinc/37/13/36/309371336.db2.gz ABIVLOGECFKAFM-ICSRJNTNSA-N 1 3 344.405 3.353 10 0 EGAEHO Clc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422879167 309373608 /nfs/dbraw/zinc/37/36/08/309373608.db2.gz UUQLPDPQXRKHCX-UOVPBQLFSA-N 1 3 348.922 3.214 10 0 EGAEHO Clc1cccc2c1CCN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423053916 309383312 /nfs/dbraw/zinc/38/33/12/309383312.db2.gz BGMPALPFKUSCRY-DFQSSKMNSA-N 1 3 347.934 3.208 10 0 EGAEHO COc1ccccc1NC(=O)C[C@@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423293660 309394317 /nfs/dbraw/zinc/39/43/17/309394317.db2.gz RWACETWYXGXVIA-CABCVRRESA-N 1 3 341.455 3.222 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531366 309405109 /nfs/dbraw/zinc/40/51/09/309405109.db2.gz SPJACLNYBXWUMO-NCPCCUCFSA-N 1 3 332.532 3.325 10 0 EGAEHO CC[NH+](CC)CCCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425465399 309481678 /nfs/dbraw/zinc/48/16/78/309481678.db2.gz ZLOSMDNGHYJLOK-GOSISDBHSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCC[C@@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449057982 310033803 /nfs/dbraw/zinc/03/38/03/310033803.db2.gz FWRBPDODUSJPPP-WIYYLYMNSA-N 1 3 329.532 3.156 10 0 EGAEHO CCN1CCC[C@@H]1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449057979 310033820 /nfs/dbraw/zinc/03/38/20/310033820.db2.gz FWRBPDODUSJPPP-GHTZIAJQSA-N 1 3 329.532 3.156 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000449071990 310034863 /nfs/dbraw/zinc/03/48/63/310034863.db2.gz CZRVZQDRAIUNCR-UYAOXDASSA-N 1 3 341.543 3.156 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000449184854 310042956 /nfs/dbraw/zinc/04/29/56/310042956.db2.gz AKYUCEFCGIIRDA-KGVIQGDOSA-N 1 3 341.543 3.154 10 0 EGAEHO CNC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212068 310044813 /nfs/dbraw/zinc/04/48/13/310044813.db2.gz IJAFNSPWSIYDFJ-SJORKVTESA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H](CC[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[S@@](C)=O ZINC000449219166 310045474 /nfs/dbraw/zinc/04/54/74/310045474.db2.gz CLCYWIHTUJUBTH-IVZQSRNASA-N 1 3 330.582 3.412 10 0 EGAEHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000449311661 310052357 /nfs/dbraw/zinc/05/23/57/310052357.db2.gz NGQDRUOXFSCIRG-MRXNPFEDSA-N 1 3 328.456 3.473 10 0 EGAEHO COC[C@@H]1CCCN(C[C@@H](C)C[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452107913 310212612 /nfs/dbraw/zinc/21/26/12/310212612.db2.gz TWFDRLROTULFBX-OWZKRDHZSA-N 1 3 340.552 3.120 10 0 EGAEHO COC[C@@H]1CCCN(C[C@@H](C)C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452107913 310212613 /nfs/dbraw/zinc/21/26/13/310212613.db2.gz TWFDRLROTULFBX-OWZKRDHZSA-N 1 3 340.552 3.120 10 0 EGAEHO COC[C@@H]1CCC[N@@H+](C[C@@H](C)CN2CCC[C@H](COC)CC2)CC1 ZINC000452107913 310212614 /nfs/dbraw/zinc/21/26/14/310212614.db2.gz TWFDRLROTULFBX-OWZKRDHZSA-N 1 3 340.552 3.120 10 0 EGAEHO COC[C@@H]1CCC[N@H+](C[C@@H](C)CN2CCC[C@H](COC)CC2)CC1 ZINC000452107913 310212615 /nfs/dbraw/zinc/21/26/15/310212615.db2.gz TWFDRLROTULFBX-OWZKRDHZSA-N 1 3 340.552 3.120 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453059152 310255080 /nfs/dbraw/zinc/25/50/80/310255080.db2.gz IJYFXGJEYICHJJ-YSFYHYPLSA-N 1 3 341.543 3.361 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000453226086 310265350 /nfs/dbraw/zinc/26/53/50/310265350.db2.gz WSLJYBMQNQLGFL-KRWDZBQOSA-N 1 3 334.504 3.484 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)ccn1 ZINC000474040182 310784081 /nfs/dbraw/zinc/78/40/81/310784081.db2.gz ZLZRWVRQXQGQMG-HMXCVIKNSA-N 1 3 343.515 3.483 10 0 EGAEHO CCN1CCN(CCC[NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474894593 310801002 /nfs/dbraw/zinc/80/10/02/310801002.db2.gz SSIISKMFBUNCAW-OAQYLSRUSA-N 1 3 331.548 3.434 10 0 EGAEHO CC(C)C[C@H](N[C@H](C)c1ccc(Cl)s1)C(=O)NCC[NH+](C)C ZINC000553912157 315288253 /nfs/dbraw/zinc/28/82/53/315288253.db2.gz GRQIWMRNNVYIBZ-OLZOCXBDSA-N 1 3 345.940 3.145 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC(N2CCCCC2)C1 ZINC000564863382 316221621 /nfs/dbraw/zinc/22/16/21/316221621.db2.gz JMUITERLRXRZCP-UHFFFAOYSA-N 1 3 333.451 3.069 10 0 EGAEHO CC[NH+]1CCC(CN[C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000571018876 317139342 /nfs/dbraw/zinc/13/93/42/317139342.db2.gz XXWLBDBNEQTMIS-INIZCTEOSA-N 1 3 326.488 3.470 10 0 EGAEHO CC[C@H]1CCCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000571652776 317229275 /nfs/dbraw/zinc/22/92/75/317229275.db2.gz BSVDTCXBMOAHLI-IBGZPJMESA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1F)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000172535623 323285383 /nfs/dbraw/zinc/28/53/83/323285383.db2.gz USYIKPPQSBMNSB-KUHUBIRLSA-N 1 3 340.458 3.441 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[C@H](C)C2)CC1 ZINC000578953528 325040037 /nfs/dbraw/zinc/04/00/37/325040037.db2.gz FKNULQHCRQEPMY-OALUTQOASA-N 1 3 329.532 3.013 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[C@H](C)C2)CC1 ZINC000578953529 325040071 /nfs/dbraw/zinc/04/00/71/325040071.db2.gz FKNULQHCRQEPMY-RBUKOAKNSA-N 1 3 329.532 3.013 10 0 EGAEHO COc1cccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000580315275 325233784 /nfs/dbraw/zinc/23/37/84/325233784.db2.gz ATOJVQHCPPVUIY-IYBDPMFKSA-N 1 3 343.496 3.250 10 0 EGAEHO CCn1c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000062252844 454371125 /nfs/dbraw/zinc/37/11/25/454371125.db2.gz BVZAPLZFVRDXBW-IRXDYDNUSA-N 1 3 344.503 3.035 10 0 EGAEHO CN(Cc1cncs1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121161035 454400197 /nfs/dbraw/zinc/40/01/97/454400197.db2.gz XWPWDAUPTXGULZ-IBGZPJMESA-N 1 3 345.512 3.021 10 0 EGAEHO c1ccc(CC[NH+]2CCC(NC[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000121414241 454432000 /nfs/dbraw/zinc/43/20/00/454432000.db2.gz APFJUBHSQQKBOI-OAQYLSRUSA-N 1 3 336.479 3.287 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000052209208 454661494 /nfs/dbraw/zinc/66/14/94/454661494.db2.gz DYCOCBGTDSZOLU-HXUWFJFHSA-N 1 3 348.531 3.179 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000052209208 454661497 /nfs/dbraw/zinc/66/14/97/454661497.db2.gz DYCOCBGTDSZOLU-HXUWFJFHSA-N 1 3 348.531 3.179 10 0 EGAEHO C[C@@H]([NH2+]CCc1ccccc1O)c1cccc(OCCN(C)C)c1 ZINC000154943388 454946219 /nfs/dbraw/zinc/94/62/19/454946219.db2.gz FUGLOAMCKPJHPO-MRXNPFEDSA-N 1 3 328.456 3.226 10 0 EGAEHO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180160957 455141779 /nfs/dbraw/zinc/14/17/79/455141779.db2.gz YDCAOSUNBYUWKH-OIXUGOLNSA-N 1 3 348.490 3.430 10 0 EGAEHO C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C1CC1 ZINC000245670858 455352918 /nfs/dbraw/zinc/35/29/18/455352918.db2.gz HLABVCPMWARIRF-BVPXEZJJSA-N 1 3 327.516 3.254 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000265919022 455406610 /nfs/dbraw/zinc/40/66/10/455406610.db2.gz BOYYSAGWXLJDJL-PXNSSMCTSA-N 1 3 345.531 3.473 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000265919022 455406611 /nfs/dbraw/zinc/40/66/11/455406611.db2.gz BOYYSAGWXLJDJL-PXNSSMCTSA-N 1 3 345.531 3.473 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1 ZINC000623669411 460670981 /nfs/dbraw/zinc/67/09/81/460670981.db2.gz MGVTVBFBWQOCOJ-FQEVSTJZSA-N 1 3 334.504 3.048 10 0 EGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000246483245 455499426 /nfs/dbraw/zinc/49/94/26/455499426.db2.gz RKUOZDAWFZLRFK-NMVRNDPTSA-N 1 3 339.886 3.297 10 0 EGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000246483245 455499427 /nfs/dbraw/zinc/49/94/27/455499427.db2.gz RKUOZDAWFZLRFK-NMVRNDPTSA-N 1 3 339.886 3.297 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000247122947 455562902 /nfs/dbraw/zinc/56/29/02/455562902.db2.gz AMNIKKSRUVHDSA-AHSZXGJYSA-N 1 3 327.516 3.254 10 0 EGAEHO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000249752734 455773482 /nfs/dbraw/zinc/77/34/82/455773482.db2.gz RZWZGUJELPGGSL-FGTMMUONSA-N 1 3 343.515 3.160 10 0 EGAEHO CC(C)[NH+](CCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C)C(C)C ZINC000347660436 456288173 /nfs/dbraw/zinc/28/81/73/456288173.db2.gz WEPNTFMCZIMEMJ-QZTJIDSGSA-N 1 3 340.556 3.057 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000340470091 456479430 /nfs/dbraw/zinc/47/94/30/456479430.db2.gz ZKVBYRWSUIJPJW-YLJYHZDGSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000340470091 456479438 /nfs/dbraw/zinc/47/94/38/456479438.db2.gz ZKVBYRWSUIJPJW-YLJYHZDGSA-N 1 3 341.503 3.078 10 0 EGAEHO CCCN1CCN(c2ccccc2CNc2cc(OC)ccn2)CC1 ZINC000340597557 456558388 /nfs/dbraw/zinc/55/83/88/456558388.db2.gz HEVORGBJEKTYJU-UHFFFAOYSA-N 1 3 340.471 3.234 10 0 EGAEHO CCC[NH+]1CCN(c2ccccc2CNc2cc(OC)ccn2)CC1 ZINC000340597557 456558394 /nfs/dbraw/zinc/55/83/94/456558394.db2.gz HEVORGBJEKTYJU-UHFFFAOYSA-N 1 3 340.471 3.234 10 0 EGAEHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000338002709 456650369 /nfs/dbraw/zinc/65/03/69/456650369.db2.gz ZDHOQTRJOFDBNC-LEWJYISDSA-N 1 3 328.500 3.312 10 0 EGAEHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000341068201 456813647 /nfs/dbraw/zinc/81/36/47/456813647.db2.gz YUEFINMVKXRLEV-ROUUACIJSA-N 1 3 343.515 3.275 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000348683301 456814884 /nfs/dbraw/zinc/81/48/84/456814884.db2.gz OUHWRIBREMFELY-CNXCKVANSA-N 1 3 335.536 3.066 10 0 EGAEHO CC(=O)NC1CCC(NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000348683301 456814886 /nfs/dbraw/zinc/81/48/86/456814886.db2.gz OUHWRIBREMFELY-CNXCKVANSA-N 1 3 335.536 3.066 10 0 EGAEHO CC(C)(C)N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000353659966 456837031 /nfs/dbraw/zinc/83/70/31/456837031.db2.gz SFZNTKCKOBUETB-UHFFFAOYSA-N 1 3 343.515 3.030 10 0 EGAEHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)C1 ZINC000292091614 456851914 /nfs/dbraw/zinc/85/19/14/456851914.db2.gz GUFVXFZVSJRKHH-OAQYLSRUSA-N 1 3 337.467 3.188 10 0 EGAEHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C2)C1 ZINC000292091614 456851918 /nfs/dbraw/zinc/85/19/18/456851918.db2.gz GUFVXFZVSJRKHH-OAQYLSRUSA-N 1 3 337.467 3.188 10 0 EGAEHO CC(C)(C)NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354160115 457100633 /nfs/dbraw/zinc/10/06/33/457100633.db2.gz BFOPVGIAYWCFGT-YQQQUEKLSA-N 1 3 343.515 3.076 10 0 EGAEHO CC(C)(C)NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354160115 457100638 /nfs/dbraw/zinc/10/06/38/457100638.db2.gz BFOPVGIAYWCFGT-YQQQUEKLSA-N 1 3 343.515 3.076 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)CCCO)CC1 ZINC000357361737 457472869 /nfs/dbraw/zinc/47/28/69/457472869.db2.gz YNLWISQCNBDZLK-UHFFFAOYSA-N 1 3 347.547 3.107 10 0 EGAEHO OC1(C[NH2+][C@@H]2CCc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000397501328 457487595 /nfs/dbraw/zinc/48/75/95/457487595.db2.gz AFRABMWLRPLJJQ-OAQYLSRUSA-N 1 3 336.479 3.291 10 0 EGAEHO OC1(C[NH2+]Cc2cccc3[nH]ccc32)CCN(Cc2ccccc2)CC1 ZINC000397551745 457487886 /nfs/dbraw/zinc/48/78/86/457487886.db2.gz WEZWFMHNACSWFX-UHFFFAOYSA-N 1 3 349.478 3.285 10 0 EGAEHO Cc1cccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1F ZINC000397513415 457488513 /nfs/dbraw/zinc/48/85/13/457488513.db2.gz ADMWXPFWGCCFDQ-UHFFFAOYSA-N 1 3 342.458 3.251 10 0 EGAEHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620815 457683693 /nfs/dbraw/zinc/68/36/93/457683693.db2.gz XWXDDAIKWAIZIM-DYESRHJHSA-N 1 3 342.527 3.149 10 0 EGAEHO COc1cccc([C@H](C)[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000375236998 457844540 /nfs/dbraw/zinc/84/45/40/457844540.db2.gz LMAMDKWMSASLME-SFHVURJKSA-N 1 3 345.531 3.106 10 0 EGAEHO C[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CN1Cc1ccccc1 ZINC000376028323 458168492 /nfs/dbraw/zinc/16/84/92/458168492.db2.gz JCWQHMXONMNKAF-PPXMBRMGSA-N 1 3 327.516 3.256 10 0 EGAEHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459385371 458354889 /nfs/dbraw/zinc/35/48/89/458354889.db2.gz HELDBTVUEDBFCG-QXCFHYIPSA-N 1 3 334.529 3.256 10 0 EGAEHO CN1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000459439305 458371256 /nfs/dbraw/zinc/37/12/56/458371256.db2.gz KMWCYKCSGDOTCF-OALUTQOASA-N 1 3 333.907 3.302 10 0 EGAEHO NC1(C[NH2+]C2CCC3(CCOCC3)CC2)C2CC3CC(C2)CC1C3 ZINC000423520272 458450214 /nfs/dbraw/zinc/45/02/14/458450214.db2.gz FAFWYKCXBHSVKJ-UHFFFAOYSA-N 1 3 332.532 3.469 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486106 458506333 /nfs/dbraw/zinc/50/63/33/458506333.db2.gz QNORORVPMJTYNX-GYXIZQIFSA-N 1 3 345.453 3.008 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486106 458506339 /nfs/dbraw/zinc/50/63/39/458506339.db2.gz QNORORVPMJTYNX-GYXIZQIFSA-N 1 3 345.453 3.008 10 0 EGAEHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)[C@H](C)C1 ZINC000470254912 458625900 /nfs/dbraw/zinc/62/59/00/458625900.db2.gz MZZLHVQOARGUJH-HBFSDRIKSA-N 1 3 346.515 3.230 10 0 EGAEHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438985010 458637197 /nfs/dbraw/zinc/63/71/97/458637197.db2.gz MEHIEUQCMDCIKW-HNNXBMFYSA-N 1 3 347.503 3.426 10 0 EGAEHO Cc1cc([C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)ccc1F ZINC000442887964 459055901 /nfs/dbraw/zinc/05/59/01/459055901.db2.gz CJAZRPSOXWOQSZ-IBGZPJMESA-N 1 3 333.495 3.201 10 0 EGAEHO COC(=O)c1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000594598917 459105205 /nfs/dbraw/zinc/10/52/05/459105205.db2.gz DCXNQUFKTJBLGC-GASCZTMLSA-N 1 3 336.476 3.222 10 0 EGAEHO COC(=O)c1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000594598917 459105209 /nfs/dbraw/zinc/10/52/09/459105209.db2.gz DCXNQUFKTJBLGC-GASCZTMLSA-N 1 3 336.476 3.222 10 0 EGAEHO CCC[N@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000568050757 459215391 /nfs/dbraw/zinc/21/53/91/459215391.db2.gz DVRHGIGYACLHBQ-XUVXKRRUSA-N 1 3 328.500 3.358 10 0 EGAEHO CCC[N@@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000568050757 459215399 /nfs/dbraw/zinc/21/53/99/459215399.db2.gz DVRHGIGYACLHBQ-XUVXKRRUSA-N 1 3 328.500 3.358 10 0 EGAEHO Cc1cc(NCC2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2n1 ZINC000485836057 459472902 /nfs/dbraw/zinc/47/29/02/459472902.db2.gz UUEBFZAVYBADFP-UHFFFAOYSA-N 1 3 335.398 3.320 10 0 EGAEHO Cc1ccccc1C[C@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501849890 459749625 /nfs/dbraw/zinc/74/96/25/459749625.db2.gz IWNKYYZIDIMNAA-FQEVSTJZSA-N 1 3 331.548 3.274 10 0 EGAEHO Cc1ccccc1C[C@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501849890 459749631 /nfs/dbraw/zinc/74/96/31/459749631.db2.gz IWNKYYZIDIMNAA-FQEVSTJZSA-N 1 3 331.548 3.274 10 0 EGAEHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527859221 459760361 /nfs/dbraw/zinc/76/03/61/459760361.db2.gz NYHBTJMBLSIQDE-MRXNPFEDSA-N 1 3 326.488 3.470 10 0 EGAEHO CCn1nccc1CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000621775029 460060057 /nfs/dbraw/zinc/06/00/57/460060057.db2.gz DBSYJIUFRWQURE-CTNGQTDRSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000621775029 460060066 /nfs/dbraw/zinc/06/00/66/460060066.db2.gz DBSYJIUFRWQURE-CTNGQTDRSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000621775029 460060075 /nfs/dbraw/zinc/06/00/75/460060075.db2.gz DBSYJIUFRWQURE-CTNGQTDRSA-N 1 3 340.515 3.118 10 0 EGAEHO c1n[nH]cc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000598037002 460149362 /nfs/dbraw/zinc/14/93/62/460149362.db2.gz XEEXAMCQILNNHJ-UHFFFAOYSA-N 1 3 326.488 3.234 10 0 EGAEHO COC(=O)C(C)(C)[C@H]([NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000614911603 460244384 /nfs/dbraw/zinc/24/43/84/460244384.db2.gz XQSGROLPXMREJC-GOSISDBHSA-N 1 3 332.488 3.393 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1(C)C ZINC000623400610 460528734 /nfs/dbraw/zinc/52/87/34/460528734.db2.gz ZPJIEKWXKYHZSM-WOJBJXKFSA-N 1 3 329.532 3.013 10 0 EGAEHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629522199 460794031 /nfs/dbraw/zinc/79/40/31/460794031.db2.gz XEBIEYDBIZMYFK-LBPRGKRZSA-N 1 3 349.475 3.416 10 0 EGAEHO COc1ccc(C(C)C)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591968 460818852 /nfs/dbraw/zinc/81/88/52/460818852.db2.gz WSSKBFRYRKZSNQ-FQEVSTJZSA-N 1 3 346.515 3.409 10 0 EGAEHO C[NH2+][C@H](CO)c1cccc(-c2cc(CN3CCCC3)ccc2F)c1 ZINC000629703145 460877490 /nfs/dbraw/zinc/87/74/90/460877490.db2.gz ZWXCDGLKRLFHEF-HXUWFJFHSA-N 1 3 328.431 3.341 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@H]2CCN(C)C2)cc1 ZINC000617556030 460905922 /nfs/dbraw/zinc/90/59/22/460905922.db2.gz IHQDBKRUNVZTCY-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)[C@H]2CCN(C)C2)cc1 ZINC000617556030 460905930 /nfs/dbraw/zinc/90/59/30/460905930.db2.gz IHQDBKRUNVZTCY-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621378040 461014546 /nfs/dbraw/zinc/01/45/46/461014546.db2.gz MKUTZNXJRORJLA-KRWDZBQOSA-N 1 3 337.458 3.354 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@H]1CCN(CC)C1 ZINC000617930172 461030135 /nfs/dbraw/zinc/03/01/35/461030135.db2.gz YGIJFJWLOFZEIQ-FQEVSTJZSA-N 1 3 345.531 3.473 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@H]1CCN(CC)C1 ZINC000617930172 461030141 /nfs/dbraw/zinc/03/01/41/461030141.db2.gz YGIJFJWLOFZEIQ-FQEVSTJZSA-N 1 3 345.531 3.473 10 0 EGAEHO c1ccc(N2CC[C@H](C[NH+]3CCC(N4CCCCC4)CC3)C2)cc1 ZINC000637889257 461105329 /nfs/dbraw/zinc/10/53/29/461105329.db2.gz LCAYTFVURDTWLS-LJQANCHMSA-N 1 3 327.516 3.463 10 0 EGAEHO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249735 461141283 /nfs/dbraw/zinc/14/12/83/461141283.db2.gz YZXSHESYEPJJJD-OALUTQOASA-N 1 3 330.472 3.133 10 0 EGAEHO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662249735 461141287 /nfs/dbraw/zinc/14/12/87/461141287.db2.gz YZXSHESYEPJJJD-OALUTQOASA-N 1 3 330.472 3.133 10 0 EGAEHO CCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254107 461144944 /nfs/dbraw/zinc/14/49/44/461144944.db2.gz ZVUDMDOULCGNKJ-ZDUSSCGKSA-N 1 3 329.271 3.336 10 0 EGAEHO CC(C)[C@@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280059 461162411 /nfs/dbraw/zinc/16/24/11/461162411.db2.gz BXDSYFNLKRIEJM-CZUORRHYSA-N 1 3 326.843 3.287 10 0 EGAEHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293663 461169510 /nfs/dbraw/zinc/16/95/10/461169510.db2.gz HNVXQROFHNJKKQ-GDBMZVCRSA-N 1 3 349.906 3.379 10 0 EGAEHO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293665 461170412 /nfs/dbraw/zinc/17/04/12/461170412.db2.gz HNVXQROFHNJKKQ-HOCLYGCPSA-N 1 3 349.906 3.379 10 0 EGAEHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CS1 ZINC000668488584 461303317 /nfs/dbraw/zinc/30/33/17/461303317.db2.gz BZQOCQCOPNQPEK-QYZOEREBSA-N 1 3 348.556 3.263 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CS1 ZINC000655701763 461374464 /nfs/dbraw/zinc/37/44/64/461374464.db2.gz ZLNCKRQSOCSILU-RTBURBONSA-N 1 3 347.572 3.463 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCCc2c(F)cccc2F)C1 ZINC000655941818 461546820 /nfs/dbraw/zinc/54/68/20/461546820.db2.gz DGXPIBPCUKSPJP-NIKGAXFTSA-N 1 3 338.442 3.258 10 0 EGAEHO COc1ccccc1N1CCC([NH2+]CCCN(C)CC(C)C)CC1 ZINC000631167632 461606836 /nfs/dbraw/zinc/60/68/36/461606836.db2.gz OJBFEKOZQUWYEP-UHFFFAOYSA-N 1 3 333.520 3.232 10 0 EGAEHO COc1ccccc1N1CCC(NCCC[N@H+](C)CC(C)C)CC1 ZINC000631167632 461606842 /nfs/dbraw/zinc/60/68/42/461606842.db2.gz OJBFEKOZQUWYEP-UHFFFAOYSA-N 1 3 333.520 3.232 10 0 EGAEHO COc1ccccc1N1CCC(NCCC[N@@H+](C)CC(C)C)CC1 ZINC000631167632 461606849 /nfs/dbraw/zinc/60/68/49/461606849.db2.gz OJBFEKOZQUWYEP-UHFFFAOYSA-N 1 3 333.520 3.232 10 0 EGAEHO C[C@@H]1C[C@@H](CNCc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710098 461903876 /nfs/dbraw/zinc/90/38/76/461903876.db2.gz DMWRIBUZYTXJGP-CABCVRRESA-N 1 3 329.419 3.491 10 0 EGAEHO COc1ccc2[nH+]c3c(c(N(C)CC4CN(C)C4)c2c1)CCCC3 ZINC000664328994 462021465 /nfs/dbraw/zinc/02/14/65/462021465.db2.gz IGZFGZOPPLHGFE-UHFFFAOYSA-N 1 3 325.456 3.120 10 0 EGAEHO CC[NH+](CC)Cc1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC000657298834 462026986 /nfs/dbraw/zinc/02/69/86/462026986.db2.gz XORGNVDBFOWCNU-UHFFFAOYSA-N 1 3 349.482 3.399 10 0 EGAEHO Fc1c(Cl)cccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536237 462170402 /nfs/dbraw/zinc/17/04/02/462170402.db2.gz YTTVLULGLNSROY-UHFFFAOYSA-N 1 3 340.870 3.460 10 0 EGAEHO Fc1cccc(Cl)c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535711 462170944 /nfs/dbraw/zinc/17/09/44/462170944.db2.gz AQTWIAOLDPPGPJ-UHFFFAOYSA-N 1 3 340.870 3.460 10 0 EGAEHO Fc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(F)c1F ZINC000657537864 462172172 /nfs/dbraw/zinc/17/21/72/462172172.db2.gz UZIYXUHGRPFEHX-UHFFFAOYSA-N 1 3 342.405 3.085 10 0 EGAEHO COCCc1ccc(OC[C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000667883332 462307881 /nfs/dbraw/zinc/30/78/81/462307881.db2.gz QEURJODIBPLVPZ-VOBGVNJCSA-N 1 3 346.515 3.248 10 0 EGAEHO COCCc1ccc(OC[C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000667883332 462307885 /nfs/dbraw/zinc/30/78/85/462307885.db2.gz QEURJODIBPLVPZ-VOBGVNJCSA-N 1 3 346.515 3.248 10 0 EGAEHO C[NH+](C)C1CCN(CCN[C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651753571 462325963 /nfs/dbraw/zinc/32/59/63/462325963.db2.gz WESSISOARNYRDB-INIZCTEOSA-N 1 3 339.886 3.082 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667970552 462353466 /nfs/dbraw/zinc/35/34/66/462353466.db2.gz MYYLCQFACAQVQZ-YFNVTMOMSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667970552 462353474 /nfs/dbraw/zinc/35/34/74/462353474.db2.gz MYYLCQFACAQVQZ-YFNVTMOMSA-N 1 3 340.511 3.444 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667970552 462353480 /nfs/dbraw/zinc/35/34/80/462353480.db2.gz MYYLCQFACAQVQZ-YFNVTMOMSA-N 1 3 340.511 3.444 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000658053495 462359637 /nfs/dbraw/zinc/35/96/37/462359637.db2.gz BJSZOWCNVKCAAU-AEFFLSMTSA-N 1 3 333.520 3.150 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@H]1CCSc2ccc(F)cc21 ZINC000658107860 462388475 /nfs/dbraw/zinc/38/84/75/462388475.db2.gz LIJHCUJOMCWFEV-YOEHRIQHSA-N 1 3 339.524 3.224 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)cc2)C1 ZINC000658135657 462399347 /nfs/dbraw/zinc/39/93/47/462399347.db2.gz AGKZVUHYXYFIII-PCCBWWKXSA-N 1 3 328.500 3.312 10 0 EGAEHO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138768 462402523 /nfs/dbraw/zinc/40/25/23/462402523.db2.gz NXCVXEZJQRCAJR-JXFKEZNVSA-N 1 3 344.524 3.426 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)C1 ZINC000658140612 462403547 /nfs/dbraw/zinc/40/35/47/462403547.db2.gz VISKHWQJGZATFB-UXHICEINSA-N 1 3 328.500 3.456 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143123 462404665 /nfs/dbraw/zinc/40/46/65/462404665.db2.gz WSZXKIPRODJPJI-DYESRHJHSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143123 462404671 /nfs/dbraw/zinc/40/46/71/462404671.db2.gz WSZXKIPRODJPJI-DYESRHJHSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248108 462441822 /nfs/dbraw/zinc/44/18/22/462441822.db2.gz CBNFRNAOFBKKJT-LJDSDSDDSA-N 1 3 326.484 3.075 10 0 EGAEHO O[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000658248108 462441829 /nfs/dbraw/zinc/44/18/29/462441829.db2.gz CBNFRNAOFBKKJT-LJDSDSDDSA-N 1 3 326.484 3.075 10 0 EGAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000646106137 462518883 /nfs/dbraw/zinc/51/88/83/462518883.db2.gz PSQLKZYOCIIILO-VAMGGRTRSA-N 1 3 343.515 3.017 10 0 EGAEHO CC[NH+]1CCC(CCN[C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183675651 528968674 /nfs/dbraw/zinc/96/86/74/528968674.db2.gz LPJWDMPYIWIQSJ-INIZCTEOSA-N 1 3 348.487 3.011 10 0 EGAEHO C[NH+](C)Cc1ccc(N2CCN(c3ccnc4ccccc43)CC2)nc1 ZINC000174743282 536013559 /nfs/dbraw/zinc/01/35/59/536013559.db2.gz GVPWWKPWHBVICI-UHFFFAOYSA-N 1 3 347.466 3.018 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439801 536897783 /nfs/dbraw/zinc/89/77/83/536897783.db2.gz IXCXNFHJWRFDMM-RBSFLKMASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439801 536897785 /nfs/dbraw/zinc/89/77/85/536897785.db2.gz IXCXNFHJWRFDMM-RBSFLKMASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439801 536897787 /nfs/dbraw/zinc/89/77/87/536897787.db2.gz IXCXNFHJWRFDMM-RBSFLKMASA-N 1 3 340.414 3.259 10 0 EGAEHO Fc1ccc(C(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000670265890 548192637 /nfs/dbraw/zinc/19/26/37/548192637.db2.gz XFQLJCHHSBDLKN-IRXDYDNUSA-N 1 3 328.406 3.248 10 0 EGAEHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000675818898 548988529 /nfs/dbraw/zinc/98/85/29/548988529.db2.gz NDQXMUCUKCKLEO-AWEZNQCLSA-N 1 3 347.894 3.303 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000684374222 550321244 /nfs/dbraw/zinc/32/12/44/550321244.db2.gz KYQOOKSSMJZPLS-PZJWPPBQSA-N 1 3 346.515 3.454 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CCCCCC[NH3+] ZINC000872154909 1296772553 /nfs/dbraw/zinc/77/25/53/1296772553.db2.gz DYCVVPFCOYFAPA-AWEZNQCLSA-N 1 3 325.884 3.426 10 0 EGAEHO C[C@H](NC(=O)CN(C)CCCCCC[NH3+])c1cccc2ccccc21 ZINC000872154971 1296773001 /nfs/dbraw/zinc/77/30/01/1296773001.db2.gz HTMVYJZRBYUOMC-KRWDZBQOSA-N 1 3 341.499 3.468 10 0 EGAEHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN(C)CCCCCC[NH3+] ZINC000872154987 1296774099 /nfs/dbraw/zinc/77/40/99/1296774099.db2.gz ILCYJEJZRBULRM-MRXNPFEDSA-N 1 3 345.487 3.403 10 0 EGAEHO CN1CCC[C@@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC000301705752 1296793372 /nfs/dbraw/zinc/79/33/72/1296793372.db2.gz YQTKNLHXZOXPIM-GOSISDBHSA-N 1 3 347.503 3.285 10 0 EGAEHO CN(Cc1ccc2c[nH]nc2c1)Cc1cccc(OCC[NH+](C)C)c1 ZINC000585084580 1298025578 /nfs/dbraw/zinc/02/55/78/1298025578.db2.gz DPXXCHYIXCIBIY-UHFFFAOYSA-N 1 3 338.455 3.135 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560127 1298282278 /nfs/dbraw/zinc/28/22/78/1298282278.db2.gz XJRGPKFSYUQGHY-YYIAUSFCSA-N 1 3 339.524 3.237 10 0 EGAEHO COc1cc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)ccc1SC ZINC000925781178 1325298541 /nfs/dbraw/zinc/29/85/41/1325298541.db2.gz HNBWFHIBOIFVRZ-DGCLKSJQSA-N 1 3 330.444 3.313 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)cc1 ZINC000925781377 1325299244 /nfs/dbraw/zinc/29/92/44/1325299244.db2.gz YKBZOIJCBBTJOS-PWSUYJOCSA-N 1 3 333.220 3.345 10 0 EGAEHO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)[C@@H](O)C(C)C ZINC000886627321 1303531344 /nfs/dbraw/zinc/53/13/44/1303531344.db2.gz YYWYYLHOBRENFK-SSTJLMRISA-N 1 3 330.516 3.425 10 0 EGAEHO C[C@@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc[nH]1 ZINC000894366046 1306360975 /nfs/dbraw/zinc/36/09/75/1306360975.db2.gz KKPLNCJYYIEJFB-LLVKDONJSA-N 1 3 337.370 3.249 10 0 EGAEHO CSCc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000921858259 1322413091 /nfs/dbraw/zinc/41/30/91/1322413091.db2.gz CJWPIMFTGRJMIZ-PMACEKPBSA-N 1 3 348.556 3.407 10 0 EGAEHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000923439043 1322752110 /nfs/dbraw/zinc/75/21/10/1322752110.db2.gz CEWKSQYUTGHWFC-OAHLLOKOSA-N 1 3 328.378 3.035 10 0 EGAEHO CCOC(=O)c1oc2ccccc2c1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499012 1322762473 /nfs/dbraw/zinc/76/24/73/1322762473.db2.gz PYUOSTJWVNZRIB-KGLIPLIRSA-N 1 3 330.428 3.026 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccns1 ZINC000924796506 1323165818 /nfs/dbraw/zinc/16/58/18/1323165818.db2.gz DDOIJVCGUJMLFE-QGZVFWFLSA-N 1 3 344.528 3.396 10 0 EGAEHO C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)C2)CO1 ZINC000924938311 1323220652 /nfs/dbraw/zinc/22/06/52/1323220652.db2.gz JRFPQYXZWOLJFT-GJHJYOIJSA-N 1 3 328.500 3.098 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924940205 1323223246 /nfs/dbraw/zinc/22/32/46/1323223246.db2.gz ZQKMRKFBLNROCI-KNQAVFIVSA-N 1 3 342.527 3.346 10 0 EGAEHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480427 1325168970 /nfs/dbraw/zinc/16/89/70/1325168970.db2.gz KINDXLFPZNMANY-CWRNSKLLSA-N 1 3 331.460 3.200 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@H]3CCNC[C@H]3C3CCCC3)nc2c1 ZINC000925480407 1325169093 /nfs/dbraw/zinc/16/90/93/1325169093.db2.gz KAQNKKBJYVKCOX-IRXDYDNUSA-N 1 3 326.488 3.253 10 0 EGAEHO CC1(C)[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H]2CCCN[C@@H]21 ZINC000925502182 1325180861 /nfs/dbraw/zinc/18/08/61/1325180861.db2.gz FYRZCUMKJUCFTF-CEXWTWQISA-N 1 3 346.490 3.240 10 0 EGAEHO c1cn(-c2ccccc2)nc1CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925550742 1325203372 /nfs/dbraw/zinc/20/33/72/1325203372.db2.gz OBRARMHCIQDMHT-NHCUHLMSSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925550742 1325203380 /nfs/dbraw/zinc/20/33/80/1325203380.db2.gz OBRARMHCIQDMHT-NHCUHLMSSA-N 1 3 338.499 3.173 10 0 EGAEHO COc1cccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCCN[C@@H]4C3(C)C)c21 ZINC000925629170 1325238513 /nfs/dbraw/zinc/23/85/13/1325238513.db2.gz MKBHSQPVJDKLHL-MDASCCDHSA-N 1 3 327.472 3.085 10 0 EGAEHO Cc1noc(C[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)n1 ZINC000925651707 1325248055 /nfs/dbraw/zinc/24/80/55/1325248055.db2.gz JIDNUEFOJXIXNW-ZACQAIPSSA-N 1 3 328.460 3.157 10 0 EGAEHO OC[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728723 1325271482 /nfs/dbraw/zinc/27/14/82/1325271482.db2.gz HBKUSOTWXUWZDU-WDSOQIARSA-N 1 3 336.907 3.174 10 0 EGAEHO OC[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728723 1325271489 /nfs/dbraw/zinc/27/14/89/1325271489.db2.gz HBKUSOTWXUWZDU-WDSOQIARSA-N 1 3 336.907 3.174 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000925780790 1325298301 /nfs/dbraw/zinc/29/83/01/1325298301.db2.gz GVBFLNZTSVQCCM-SCZZXKLOSA-N 1 3 338.229 3.471 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000925783955 1325300037 /nfs/dbraw/zinc/30/00/37/1325300037.db2.gz QAIGMVORMSZBJP-RISCZKNCSA-N 1 3 345.231 3.271 10 0 EGAEHO CC[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1F ZINC000925818231 1325315085 /nfs/dbraw/zinc/31/50/85/1325315085.db2.gz SUAQFMKQCJNZPZ-OAQYLSRUSA-N 1 3 341.474 3.472 10 0 EGAEHO Cc1nc2c(cccc2CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)o1 ZINC000925838766 1325323118 /nfs/dbraw/zinc/32/31/18/1325323118.db2.gz NXSUKPFYAXMEDT-ZWKOTPCHSA-N 1 3 327.472 3.437 10 0 EGAEHO CSC1(CN[C@@H]2CCc3c2nccc3Cl)CC[NH+](C)CC1 ZINC000926447365 1325558207 /nfs/dbraw/zinc/55/82/07/1325558207.db2.gz BAYKNTLQHNJDCR-CQSZACIVSA-N 1 3 325.909 3.139 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)NC(=O)OC(C)(C)C ZINC000862482239 1329490366 /nfs/dbraw/zinc/49/03/66/1329490366.db2.gz FURPEANQCBQRGF-SJORKVTESA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@@H](CNC[C@H]1CCCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482239 1329490368 /nfs/dbraw/zinc/49/03/68/1329490368.db2.gz FURPEANQCBQRGF-SJORKVTESA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@@H](CNC[C@H]1CCCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482239 1329490370 /nfs/dbraw/zinc/49/03/70/1329490370.db2.gz FURPEANQCBQRGF-SJORKVTESA-N 1 3 341.540 3.247 10 0 EGAEHO C[C@@H]1CCc2ccc(F)cc2[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000866307173 1330093792 /nfs/dbraw/zinc/09/37/92/1330093792.db2.gz SJBDOCSBGCNNCL-MSPZUWAUSA-N 1 3 346.490 3.417 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000866388137 1330105422 /nfs/dbraw/zinc/10/54/22/1330105422.db2.gz BYEGXPDSUVASJN-CTNGQTDRSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000866388137 1330105424 /nfs/dbraw/zinc/10/54/24/1330105424.db2.gz BYEGXPDSUVASJN-CTNGQTDRSA-N 1 3 339.483 3.135 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705652 1330143042 /nfs/dbraw/zinc/14/30/42/1330143042.db2.gz FOUUEDKDBDHSEP-IBGZPJMESA-N 1 3 335.467 3.160 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705652 1330143044 /nfs/dbraw/zinc/14/30/44/1330143044.db2.gz FOUUEDKDBDHSEP-IBGZPJMESA-N 1 3 335.467 3.160 10 0 EGAEHO CCCCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001323227735 1387313768 /nfs/dbraw/zinc/31/37/68/1387313768.db2.gz TZSMONDOGUSPTD-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001323227735 1387313770 /nfs/dbraw/zinc/31/37/70/1387313770.db2.gz TZSMONDOGUSPTD-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001479745155 1392360519 /nfs/dbraw/zinc/36/05/19/1392360519.db2.gz IUYXBJLNELXURG-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001479745155 1392360522 /nfs/dbraw/zinc/36/05/22/1392360522.db2.gz IUYXBJLNELXURG-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001324864866 1387797046 /nfs/dbraw/zinc/79/70/46/1387797046.db2.gz WEWLBWAUHWZCJK-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001325454732 1387977968 /nfs/dbraw/zinc/97/79/68/1387977968.db2.gz GVUIXANHLVQRDF-IEBWSBKVSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C)C[N@H+](C)Cc1ccccc1CNC(=O)Cc1nc[nH]c1C ZINC001326489658 1388213908 /nfs/dbraw/zinc/21/39/08/1388213908.db2.gz CIWUJHZJQJWQRN-HNNXBMFYSA-N 1 3 342.487 3.055 10 0 EGAEHO CC[C@H](C)C[N@@H+](C)Cc1ccccc1CNC(=O)Cc1nc[nH]c1C ZINC001326489658 1388213911 /nfs/dbraw/zinc/21/39/11/1388213911.db2.gz CIWUJHZJQJWQRN-HNNXBMFYSA-N 1 3 342.487 3.055 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001265978106 1377174657 /nfs/dbraw/zinc/17/46/57/1377174657.db2.gz BAVZPAJWQUZOIV-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001265978106 1377174659 /nfs/dbraw/zinc/17/46/59/1377174659.db2.gz BAVZPAJWQUZOIV-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001266284772 1377258598 /nfs/dbraw/zinc/25/85/98/1377258598.db2.gz KRHICQRMINKZHH-LJQANCHMSA-N 1 3 345.531 3.034 10 0 EGAEHO Cc1cc(C)c(CN(C)CCNC(=O)CC[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001266284772 1377258600 /nfs/dbraw/zinc/25/86/00/1377258600.db2.gz KRHICQRMINKZHH-LJQANCHMSA-N 1 3 345.531 3.034 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001267570525 1377460470 /nfs/dbraw/zinc/46/04/70/1377460470.db2.gz BPGYTWQBBIHYRT-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267570525 1377460473 /nfs/dbraw/zinc/46/04/73/1377460473.db2.gz BPGYTWQBBIHYRT-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCC1)C1CCC1 ZINC001268156347 1377489244 /nfs/dbraw/zinc/48/92/44/1377489244.db2.gz XWHZVYPJDWRATL-FQEVSTJZSA-N 1 3 349.563 3.412 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001274340970 1378123620 /nfs/dbraw/zinc/12/36/20/1378123620.db2.gz ZNUWQQKGTUNSCS-YDFHMDALSA-N 1 3 345.531 3.213 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001275416537 1378139921 /nfs/dbraw/zinc/13/99/21/1378139921.db2.gz WKQXENCOMQOTID-IAGOWNOFSA-N 1 3 345.531 3.277 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC001277364065 1378219376 /nfs/dbraw/zinc/21/93/76/1378219376.db2.gz YTWSBZDPPANWMN-KXBFYZLASA-N 1 3 349.494 3.028 10 0 EGAEHO CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001280349939 1378342505 /nfs/dbraw/zinc/34/25/05/1378342505.db2.gz BPKBRYNDVUVNBA-APWZRJJASA-N 1 3 331.504 3.236 10 0 EGAEHO Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001282129991 1378478644 /nfs/dbraw/zinc/47/86/44/1378478644.db2.gz VRLZACZURQMEOL-MSOLQXFVSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282666953 1378539831 /nfs/dbraw/zinc/53/98/31/1378539831.db2.gz VBAPZUILVPYWJB-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282666953 1378539836 /nfs/dbraw/zinc/53/98/36/1378539836.db2.gz VBAPZUILVPYWJB-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001283101053 1378732386 /nfs/dbraw/zinc/73/23/86/1378732386.db2.gz CWOMUIUDQRYUPQ-FRYIKTPZSA-N 1 3 345.531 3.208 10 0 EGAEHO C[C@@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001283187330 1378756608 /nfs/dbraw/zinc/75/66/08/1378756608.db2.gz TXSDBDWLBOMPCI-QFBILLFUSA-N 1 3 343.515 3.033 10 0 EGAEHO CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001283677018 1379104632 /nfs/dbraw/zinc/10/46/32/1379104632.db2.gz GZGJWRMCOVNBSS-SJLPKXTDSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C)N1CCCC1 ZINC001284652599 1380067464 /nfs/dbraw/zinc/06/74/64/1380067464.db2.gz KRQJBAMLUZKITD-QZTJIDSGSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001284701729 1380116739 /nfs/dbraw/zinc/11/67/39/1380116739.db2.gz DYGDJBXBCYDAAU-YLJYHZDGSA-N 1 3 345.531 3.052 10 0 EGAEHO CCC(CC)C[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001328929556 1388904744 /nfs/dbraw/zinc/90/47/44/1388904744.db2.gz YXILFKPLJMBKFJ-CTWPCTMYSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001316629856 1384493675 /nfs/dbraw/zinc/49/36/75/1384493675.db2.gz ROOPHNMXWFYNFE-IYARVYRRSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030574 1384798056 /nfs/dbraw/zinc/79/80/56/1384798056.db2.gz UZNUNIBGPQHNLF-YLJYHZDGSA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@H]21 ZINC001317100901 1384863986 /nfs/dbraw/zinc/86/39/86/1384863986.db2.gz ZAIGIWJDBBQRKA-WOJBJXKFSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@H]21 ZINC001317100901 1384863989 /nfs/dbraw/zinc/86/39/89/1384863989.db2.gz ZAIGIWJDBBQRKA-WOJBJXKFSA-N 1 3 347.547 3.140 10 0 EGAEHO Cc1ccncc1C[NH2+]C(C)CNC(=O)C12CCC(CC1)C2(C)C ZINC001317270084 1385039781 /nfs/dbraw/zinc/03/97/81/1385039781.db2.gz KHPIRVHHEJCRFF-XRTORIHISA-N 1 3 329.488 3.201 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001317416329 1385125948 /nfs/dbraw/zinc/12/59/48/1385125948.db2.gz UKLXKNIYCKLFIF-HNAYVOBHSA-N 1 3 349.494 3.028 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CCC1CCCCC1 ZINC001317491661 1385192549 /nfs/dbraw/zinc/19/25/49/1385192549.db2.gz DQOHZSKYNVBRHZ-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)CCC1CCCCC1 ZINC001317491661 1385192550 /nfs/dbraw/zinc/19/25/50/1385192550.db2.gz DQOHZSKYNVBRHZ-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CCc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001329107588 1388972491 /nfs/dbraw/zinc/97/24/91/1388972491.db2.gz XHGKXXNAZKDYKH-IRXDYDNUSA-N 1 3 345.531 3.106 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524100 1385243603 /nfs/dbraw/zinc/24/36/03/1385243603.db2.gz YCKMOLYLICWPAP-KAGICYHLSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524100 1385243605 /nfs/dbraw/zinc/24/36/05/1385243605.db2.gz YCKMOLYLICWPAP-KAGICYHLSA-N 1 3 335.536 3.044 10 0 EGAEHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001317787171 1385480046 /nfs/dbraw/zinc/48/00/46/1385480046.db2.gz CYIAGNJLDBATCL-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCC3CCCCC3)C2)CCC1 ZINC001317787171 1385480050 /nfs/dbraw/zinc/48/00/50/1385480050.db2.gz CYIAGNJLDBATCL-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001317934419 1385574135 /nfs/dbraw/zinc/57/41/35/1385574135.db2.gz XSHKXKZAXWLFHA-KAGICYHLSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2CCC)C1 ZINC001317934419 1385574139 /nfs/dbraw/zinc/57/41/39/1385574139.db2.gz XSHKXKZAXWLFHA-KAGICYHLSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001318570584 1385763409 /nfs/dbraw/zinc/76/34/09/1385763409.db2.gz PMOZGGCGBIQCOZ-QZTJIDSGSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001318583213 1385772162 /nfs/dbraw/zinc/77/21/62/1385772162.db2.gz ZDONTBHKDOHVEV-QZTJIDSGSA-N 1 3 337.552 3.170 10 0 EGAEHO CCC(CC)C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001318806070 1385858791 /nfs/dbraw/zinc/85/87/91/1385858791.db2.gz TTYNSSRLAXGXKX-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1)N1CCCCCC1 ZINC001319251397 1386025859 /nfs/dbraw/zinc/02/58/59/1386025859.db2.gz SAFUFOQRRZBTGC-IAGOWNOFSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001320114426 1386522572 /nfs/dbraw/zinc/52/25/72/1386522572.db2.gz LBFSYUHVGTUQFD-QZTJIDSGSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001320114426 1386522574 /nfs/dbraw/zinc/52/25/74/1386522574.db2.gz LBFSYUHVGTUQFD-QZTJIDSGSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001320416869 1386604192 /nfs/dbraw/zinc/60/41/92/1386604192.db2.gz XKFBODCHXDWLQH-PKOBYXMFSA-N 1 3 335.536 3.234 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001320547963 1386645346 /nfs/dbraw/zinc/64/53/46/1386645346.db2.gz IDAKCBZTCYSUTH-SFHVURJKSA-N 1 3 347.547 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1cccc2ccccc21 ZINC001320643456 1386676851 /nfs/dbraw/zinc/67/68/51/1386676851.db2.gz DWBPNKODKDBTEI-QGZVFWFLSA-N 1 3 341.499 3.164 10 0 EGAEHO C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001322089865 1387049627 /nfs/dbraw/zinc/04/96/27/1387049627.db2.gz UXDWZBRUSLQQMP-KRWDZBQOSA-N 1 3 343.515 3.347 10 0 EGAEHO CC[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001698693498 1406337562 /nfs/dbraw/zinc/33/75/62/1406337562.db2.gz AKJTVXYZTOKCFZ-ZWKOTPCHSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC001329570257 1389160542 /nfs/dbraw/zinc/16/05/42/1389160542.db2.gz DCPVVYYQPLAJQV-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001329570257 1389160544 /nfs/dbraw/zinc/16/05/44/1389160544.db2.gz DCPVVYYQPLAJQV-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001698735427 1406385380 /nfs/dbraw/zinc/38/53/80/1406385380.db2.gz IEDGDODWUURAMJ-AATRIKPKSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001698735427 1406385382 /nfs/dbraw/zinc/38/53/82/1406385382.db2.gz IEDGDODWUURAMJ-AATRIKPKSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@@H]1C ZINC001332052187 1389959584 /nfs/dbraw/zinc/95/95/84/1389959584.db2.gz XDBFXYKBERJIDS-FXAWDEMLSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)(C)CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001332404819 1390108087 /nfs/dbraw/zinc/10/80/87/1390108087.db2.gz MLOHSWCDUWWHOC-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(C)C)N(C)C ZINC001332733178 1390173614 /nfs/dbraw/zinc/17/36/14/1390173614.db2.gz WQTCZPQTKUYQCE-SFHVURJKSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)CC1CC2(CCC2)C1)C(C)C)N(C)C ZINC001332733178 1390173617 /nfs/dbraw/zinc/17/36/17/1390173617.db2.gz WQTCZPQTKUYQCE-SFHVURJKSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001698802157 1406479668 /nfs/dbraw/zinc/47/96/68/1406479668.db2.gz BWFHVUNWTGJWKP-MSOLQXFVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001488871769 1391737002 /nfs/dbraw/zinc/73/70/02/1391737002.db2.gz FJLPQWXRLJEKRC-FHWLQOOXSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001698828217 1406521770 /nfs/dbraw/zinc/52/17/70/1406521770.db2.gz MCMOLKCZDBIHME-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CCC(C)(C)C ZINC001479772681 1392379059 /nfs/dbraw/zinc/37/90/59/1392379059.db2.gz UOFIXNBSBGOIBN-UHFFFAOYSA-N 1 3 325.541 3.125 10 0 EGAEHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CCC(C)(C)C ZINC001479772681 1392379064 /nfs/dbraw/zinc/37/90/64/1392379064.db2.gz UOFIXNBSBGOIBN-UHFFFAOYSA-N 1 3 325.541 3.125 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1)[NH+](CC)CC ZINC001479910094 1392477913 /nfs/dbraw/zinc/47/79/13/1392477913.db2.gz GHMHVPFAFGJNTQ-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860224 1406570056 /nfs/dbraw/zinc/57/00/56/1406570056.db2.gz IEVRFVHFGVFQOH-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295917 1392664197 /nfs/dbraw/zinc/66/41/97/1392664197.db2.gz MMLMJOSSWWVXFH-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001480412503 1392747544 /nfs/dbraw/zinc/74/75/44/1392747544.db2.gz IYBPZDMRMQZXHF-VIQWUECVSA-N 1 3 345.531 3.413 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001480710507 1392872854 /nfs/dbraw/zinc/87/28/54/1392872854.db2.gz RALNPMQMLZVJQS-OALUTQOASA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001698900602 1406633174 /nfs/dbraw/zinc/63/31/74/1406633174.db2.gz JEWGMONYCHAMIC-HKUYNNGSSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1)N(C)C ZINC001481371416 1394212677 /nfs/dbraw/zinc/21/26/77/1394212677.db2.gz VKUJCUULIDPJDR-MSOLQXFVSA-N 1 3 333.520 3.210 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001481407027 1394262000 /nfs/dbraw/zinc/26/20/00/1394262000.db2.gz YKXZFUANKAPHGC-WOJBJXKFSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001481407027 1394262006 /nfs/dbraw/zinc/26/20/06/1394262006.db2.gz YKXZFUANKAPHGC-WOJBJXKFSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001698946236 1406686011 /nfs/dbraw/zinc/68/60/11/1406686011.db2.gz OFDGSETUGLWRRO-XLIONFOSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC(C)(C)C)C1 ZINC001481508643 1394355913 /nfs/dbraw/zinc/35/59/13/1394355913.db2.gz KEMDLNNYACCXSL-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001481508643 1394355916 /nfs/dbraw/zinc/35/59/16/1394355916.db2.gz KEMDLNNYACCXSL-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481743281 1394489348 /nfs/dbraw/zinc/48/93/48/1394489348.db2.gz CQKGZBXNDHKBRP-HMTUNPETSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481743281 1394489349 /nfs/dbraw/zinc/48/93/49/1394489349.db2.gz CQKGZBXNDHKBRP-HMTUNPETSA-N 1 3 335.536 3.138 10 0 EGAEHO CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481778742 1394523616 /nfs/dbraw/zinc/52/36/16/1394523616.db2.gz NXXPXTQVPCVZMK-HXUWFJFHSA-N 1 3 345.531 3.150 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001482108591 1394750304 /nfs/dbraw/zinc/75/03/04/1394750304.db2.gz TZTOLISFQLPNSC-SJLPKXTDSA-N 1 3 345.531 3.191 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)N1CCCCCC1 ZINC001482231392 1394826481 /nfs/dbraw/zinc/82/64/81/1394826481.db2.gz QMSCWOHGJVRCOU-GOSISDBHSA-N 1 3 349.563 3.460 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481568 1395035497 /nfs/dbraw/zinc/03/54/97/1395035497.db2.gz ZXYCAHAKVAVZRZ-QZTJIDSGSA-N 1 3 339.568 3.371 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC=C(C)C)cc1)N(C)C ZINC001484558274 1395440618 /nfs/dbraw/zinc/44/06/18/1395440618.db2.gz CPJXWAYHTAIGBF-QFBILLFUSA-N 1 3 331.504 3.260 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484723857 1395487135 /nfs/dbraw/zinc/48/71/35/1395487135.db2.gz KQIZXCYCMQJVLW-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484723857 1395487140 /nfs/dbraw/zinc/48/71/40/1395487140.db2.gz KQIZXCYCMQJVLW-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001484927093 1395594715 /nfs/dbraw/zinc/59/47/15/1395594715.db2.gz HTNSLLAYCCALDB-OALUTQOASA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247120 1396188763 /nfs/dbraw/zinc/18/87/63/1396188763.db2.gz YMKLSOZWFHNOKS-MJGOQNOKSA-N 1 3 345.531 3.224 10 0 EGAEHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001501171777 1396189361 /nfs/dbraw/zinc/18/93/61/1396189361.db2.gz HPQHDDIXYPPLDV-MWMLXTMESA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2 ZINC001501171777 1396189363 /nfs/dbraw/zinc/18/93/63/1396189363.db2.gz HPQHDDIXYPPLDV-MWMLXTMESA-N 1 3 335.536 3.042 10 0 EGAEHO CCCN(C)CC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001495959980 1396578796 /nfs/dbraw/zinc/57/87/96/1396578796.db2.gz QJCGRRZYOFEDON-LJQANCHMSA-N 1 3 343.515 3.034 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCCC1 ZINC001495961048 1396578854 /nfs/dbraw/zinc/57/88/54/1396578854.db2.gz ZSHNDQJNGKETOV-UHFFFAOYSA-N 1 3 344.503 3.170 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001497691195 1396786007 /nfs/dbraw/zinc/78/60/07/1396786007.db2.gz KLGKDMSTRNLSGS-UCFODXPJSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267993 1396999380 /nfs/dbraw/zinc/99/93/80/1396999380.db2.gz VSFKTQIVQQFYNH-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1cc(C)cc(C[NH+]2CCC(N(C)C(=O)CN(C)C(C)C)CC2)c1 ZINC001690030815 1404269598 /nfs/dbraw/zinc/26/95/98/1404269598.db2.gz KSDCDIFJFHERDK-UHFFFAOYSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001690302044 1404461298 /nfs/dbraw/zinc/46/12/98/1404461298.db2.gz UINRYZQOPSRAEJ-VDGAXYAQSA-N 1 3 345.531 3.448 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001690391806 1404531301 /nfs/dbraw/zinc/53/13/01/1404531301.db2.gz KBXFSMAHCRVIGM-IBGZPJMESA-N 1 3 335.536 3.047 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001690391806 1404531305 /nfs/dbraw/zinc/53/13/05/1404531305.db2.gz KBXFSMAHCRVIGM-IBGZPJMESA-N 1 3 335.536 3.047 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001690532384 1404624347 /nfs/dbraw/zinc/62/43/47/1404624347.db2.gz KLOGMQTZONADDZ-DAWZGUTISA-N 1 3 337.552 3.312 10 0 EGAEHO CCC/C=C\CC[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001690540663 1404626923 /nfs/dbraw/zinc/62/69/23/1404626923.db2.gz XFSGOJYPPNPCAO-ZWQDRSNESA-N 1 3 335.536 3.092 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001691748508 1405467654 /nfs/dbraw/zinc/46/76/54/1405467654.db2.gz QUQOYCBGHNJDCL-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001691748508 1405467656 /nfs/dbraw/zinc/46/76/56/1405467656.db2.gz QUQOYCBGHNJDCL-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001691796763 1405508101 /nfs/dbraw/zinc/50/81/01/1405508101.db2.gz NMBGNRSTZMTOLO-MJGOQNOKSA-N 1 3 331.504 3.108 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691817802 1405532230 /nfs/dbraw/zinc/53/22/30/1405532230.db2.gz HVDPJZCMEPYTRW-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCCC(C)(C)C ZINC001692194690 1405834686 /nfs/dbraw/zinc/83/46/86/1405834686.db2.gz GKUJIKVKTYWEAU-ZWKOTPCHSA-N 1 3 349.563 3.410 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCCC(C)(C)C ZINC001692194690 1405834693 /nfs/dbraw/zinc/83/46/93/1405834693.db2.gz GKUJIKVKTYWEAU-ZWKOTPCHSA-N 1 3 349.563 3.410 10 0 EGAEHO CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001698595861 1406220027 /nfs/dbraw/zinc/22/00/27/1406220027.db2.gz HFNHIAMCMJEODM-PMACEKPBSA-N 1 3 345.531 3.106 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001732022677 1428240673 /nfs/dbraw/zinc/24/06/73/1428240673.db2.gz BNLBYWYMGOQGDC-PKOBYXMFSA-N 1 3 331.504 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001732082854 1428338584 /nfs/dbraw/zinc/33/85/84/1428338584.db2.gz FTVVBZANGPELOW-IRXDYDNUSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001732082854 1428338585 /nfs/dbraw/zinc/33/85/85/1428338585.db2.gz FTVVBZANGPELOW-IRXDYDNUSA-N 1 3 349.494 3.007 10 0 EGAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001699324306 1412639546 /nfs/dbraw/zinc/63/95/46/1412639546.db2.gz LDTPHNRSSXCPKE-WGLWSTOQSA-N 1 3 349.563 3.197 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC001699336549 1412647198 /nfs/dbraw/zinc/64/71/98/1412647198.db2.gz SFQFJVCVJNYRRA-MYIWKSEUSA-N 1 3 349.906 3.005 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC001699336549 1412647200 /nfs/dbraw/zinc/64/72/00/1412647200.db2.gz SFQFJVCVJNYRRA-MYIWKSEUSA-N 1 3 349.906 3.005 10 0 EGAEHO C[C@@H](NC1(CNC(=O)CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC001699676158 1413069707 /nfs/dbraw/zinc/06/97/07/1413069707.db2.gz PKEKQFYGPIPTDJ-MRXNPFEDSA-N 1 3 347.478 3.001 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001699704782 1413119609 /nfs/dbraw/zinc/11/96/09/1413119609.db2.gz VYGOKPGYQPVDIK-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001699704782 1413119612 /nfs/dbraw/zinc/11/96/12/1413119612.db2.gz VYGOKPGYQPVDIK-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1)N(C)C ZINC001699773801 1413182130 /nfs/dbraw/zinc/18/21/30/1413182130.db2.gz GPZJBVIVRWXNPC-GOSISDBHSA-N 1 3 349.563 3.268 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805339 1413218989 /nfs/dbraw/zinc/21/89/89/1413218989.db2.gz QROQZFYCRFTLKU-WUUFJKRQSA-N 1 3 344.503 3.013 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001699805339 1413218994 /nfs/dbraw/zinc/21/89/94/1413218994.db2.gz QROQZFYCRFTLKU-WUUFJKRQSA-N 1 3 344.503 3.013 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001700064764 1413482018 /nfs/dbraw/zinc/48/20/18/1413482018.db2.gz DYUABQXMPSAKAP-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1cc(C[NH2+]C2(CNC(=O)CN3[C@H](C)CC[C@H]3C)CCC2)cs1 ZINC001700142801 1413565121 /nfs/dbraw/zinc/56/51/21/1413565121.db2.gz FIWMEYUVGXMMFL-HUUCEWRRSA-N 1 3 349.544 3.058 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312433 1413767431 /nfs/dbraw/zinc/76/74/31/1413767431.db2.gz AJKSTGVUTFAFHL-WMZOPIPTSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001700312433 1413767433 /nfs/dbraw/zinc/76/74/33/1413767433.db2.gz AJKSTGVUTFAFHL-WMZOPIPTSA-N 1 3 347.547 3.020 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001700482611 1414122521 /nfs/dbraw/zinc/12/25/21/1414122521.db2.gz BIVIIOZYIUHEAP-PKOBYXMFSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001700482611 1414122524 /nfs/dbraw/zinc/12/25/24/1414122524.db2.gz BIVIIOZYIUHEAP-PKOBYXMFSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588388 1428806175 /nfs/dbraw/zinc/80/61/75/1428806175.db2.gz KNDPBXQWJJWNNN-MRXNPFEDSA-N 1 3 349.494 3.151 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001701001260 1414653602 /nfs/dbraw/zinc/65/36/02/1414653602.db2.gz NUOFUEVALJHBCF-AEFFLSMTSA-N 1 3 333.520 3.208 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1 ZINC001732914093 1429044762 /nfs/dbraw/zinc/04/47/62/1429044762.db2.gz OYCKGHQBGKTRCM-OVKVCFKUSA-N 1 3 343.515 3.050 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001732914092 1429044869 /nfs/dbraw/zinc/04/48/69/1429044869.db2.gz OYCKGHQBGKTRCM-LIXSYLKWSA-N 1 3 343.515 3.050 10 0 EGAEHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707057967 1417173941 /nfs/dbraw/zinc/17/39/41/1417173941.db2.gz CQKHXWYSNDXEHF-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001707172844 1417228526 /nfs/dbraw/zinc/22/85/26/1417228526.db2.gz FIZOOQNZZAUTKN-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001707237210 1417258167 /nfs/dbraw/zinc/25/81/67/1417258167.db2.gz GZXLMASNPCOWOP-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001707376637 1417301128 /nfs/dbraw/zinc/30/11/28/1417301128.db2.gz CWQQRPXXIDYKCT-QFBILLFUSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001707376637 1417301130 /nfs/dbraw/zinc/30/11/30/1417301130.db2.gz CWQQRPXXIDYKCT-QFBILLFUSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121511 1417687679 /nfs/dbraw/zinc/68/76/79/1417687679.db2.gz LASYHACWBZJZEY-PMACEKPBSA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001713266034 1417874449 /nfs/dbraw/zinc/87/44/49/1417874449.db2.gz FCFIMQMCIVTYHQ-DVBCCOPCSA-N 1 3 337.552 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001713401847 1418025129 /nfs/dbraw/zinc/02/51/29/1418025129.db2.gz URSFKVUHYLNSMB-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001713401847 1418025133 /nfs/dbraw/zinc/02/51/33/1418025133.db2.gz URSFKVUHYLNSMB-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001713506699 1418229647 /nfs/dbraw/zinc/22/96/47/1418229647.db2.gz YLFYXGKCXVQAOZ-QZTJIDSGSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001713506699 1418229648 /nfs/dbraw/zinc/22/96/48/1418229648.db2.gz YLFYXGKCXVQAOZ-QZTJIDSGSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)N1CCCCCC1 ZINC001713705049 1418464561 /nfs/dbraw/zinc/46/45/61/1418464561.db2.gz QJSPMXYHIYEOAO-XLIONFOSSA-N 1 3 343.515 3.108 10 0 EGAEHO CC(C)CCC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001713783414 1418600024 /nfs/dbraw/zinc/60/00/24/1418600024.db2.gz IKHPSXBUJQMDHN-UHFFFAOYSA-N 1 3 339.568 3.323 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792448 1418610898 /nfs/dbraw/zinc/61/08/98/1418610898.db2.gz UENRHNCUKVTCMU-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897377 1418695664 /nfs/dbraw/zinc/69/56/64/1418695664.db2.gz RWXWXWCIWMIDDT-PRPIBZDOSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897377 1418695666 /nfs/dbraw/zinc/69/56/66/1418695666.db2.gz RWXWXWCIWMIDDT-PRPIBZDOSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714104745 1418903693 /nfs/dbraw/zinc/90/36/93/1418903693.db2.gz UJZPJLYKNBEWNH-OALUTQOASA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714104745 1418903696 /nfs/dbraw/zinc/90/36/96/1418903696.db2.gz UJZPJLYKNBEWNH-OALUTQOASA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)NCc1ccccc1F ZINC001714105632 1418904758 /nfs/dbraw/zinc/90/47/58/1418904758.db2.gz BPOZIVMCIHIAFV-HKUYNNGSSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)NCc1ccccc1F ZINC001714105632 1418904760 /nfs/dbraw/zinc/90/47/60/1418904760.db2.gz BPOZIVMCIHIAFV-HKUYNNGSSA-N 1 3 349.494 3.073 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001714127442 1418931857 /nfs/dbraw/zinc/93/18/57/1418931857.db2.gz DVJMDNAMCHNSLF-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150063 1418955621 /nfs/dbraw/zinc/95/56/21/1418955621.db2.gz JILVXXHINRTJNL-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001714150063 1418955624 /nfs/dbraw/zinc/95/56/24/1418955624.db2.gz JILVXXHINRTJNL-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001714274905 1419055449 /nfs/dbraw/zinc/05/54/49/1419055449.db2.gz XBSYMCDNFGMUEB-ROUUACIJSA-N 1 3 347.547 3.437 10 0 EGAEHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275325 1419055908 /nfs/dbraw/zinc/05/59/08/1419055908.db2.gz YQLSZTOZTFHPJP-HNAYVOBHSA-N 1 3 343.531 3.120 10 0 EGAEHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275329 1419055960 /nfs/dbraw/zinc/05/59/60/1419055960.db2.gz YQLSZTOZTFHPJP-KXBFYZLASA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC001714316771 1419095102 /nfs/dbraw/zinc/09/51/02/1419095102.db2.gz BQKQQEVPDBPTAF-VLDZCOSFSA-N 1 3 343.515 3.057 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400741 1419144033 /nfs/dbraw/zinc/14/40/33/1419144033.db2.gz DORUUYXXRDMJAP-MSOLQXFVSA-N 1 3 347.547 3.068 10 0 EGAEHO CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001714418032 1419155094 /nfs/dbraw/zinc/15/50/94/1419155094.db2.gz UHERHLGXCXGFHQ-RTBURBONSA-N 1 3 331.504 3.179 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001714448913 1419181600 /nfs/dbraw/zinc/18/16/00/1419181600.db2.gz NBRCFMKXISZBHN-QGZVFWFLSA-N 1 3 339.568 3.323 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)CC(C)(C)C ZINC001714448913 1419181603 /nfs/dbraw/zinc/18/16/03/1419181603.db2.gz NBRCFMKXISZBHN-QGZVFWFLSA-N 1 3 339.568 3.323 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001714497741 1419221938 /nfs/dbraw/zinc/22/19/38/1419221938.db2.gz YLBQSZVTEZDUEQ-LJQANCHMSA-N 1 3 347.547 3.380 10 0 EGAEHO CN(CC(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl)CC(C)(C)C ZINC001714527353 1419253283 /nfs/dbraw/zinc/25/32/83/1419253283.db2.gz MUPCDPWCVMAMEW-BSDKJSHOSA-N 1 3 343.943 3.078 10 0 EGAEHO CN(CC(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl)CC(C)(C)C ZINC001714527353 1419253285 /nfs/dbraw/zinc/25/32/85/1419253285.db2.gz MUPCDPWCVMAMEW-BSDKJSHOSA-N 1 3 343.943 3.078 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648585 1419425057 /nfs/dbraw/zinc/42/50/57/1419425057.db2.gz TURAHMDZNDMQND-QZTJIDSGSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648585 1419425060 /nfs/dbraw/zinc/42/50/60/1419425060.db2.gz TURAHMDZNDMQND-QZTJIDSGSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccsc1 ZINC001714656028 1419437919 /nfs/dbraw/zinc/43/79/19/1419437919.db2.gz UQHITMNEZJALIC-ZWKOTPCHSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1ccsc1 ZINC001714656028 1419437920 /nfs/dbraw/zinc/43/79/20/1419437920.db2.gz UQHITMNEZJALIC-ZWKOTPCHSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](CC1CCCC1)C1CC1 ZINC001714673708 1419465345 /nfs/dbraw/zinc/46/53/45/1419465345.db2.gz NZJDCMKBHXYWRE-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CCCC1)C1CC1 ZINC001714673708 1419465347 /nfs/dbraw/zinc/46/53/47/1419465347.db2.gz NZJDCMKBHXYWRE-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001714811393 1419522719 /nfs/dbraw/zinc/52/27/19/1419522719.db2.gz BPYMDDSHTOFSKO-HKUYNNGSSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001714976348 1419710757 /nfs/dbraw/zinc/71/07/57/1419710757.db2.gz MKJSAJFYTHCENO-PMACEKPBSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001714980659 1419715517 /nfs/dbraw/zinc/71/55/17/1419715517.db2.gz UIGFBEOCULDPCG-RBUKOAKNSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001715143295 1419889711 /nfs/dbraw/zinc/88/97/11/1419889711.db2.gz UVXSOZZZTTYXGK-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001715190773 1419923210 /nfs/dbraw/zinc/92/32/10/1419923210.db2.gz KTEMYYIAZSSYNY-YOQCTACHSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715413811 1420109397 /nfs/dbraw/zinc/10/93/97/1420109397.db2.gz JGKDMQCAMUMNSK-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001715518485 1420204379 /nfs/dbraw/zinc/20/43/79/1420204379.db2.gz COZUCJGSRAEORB-UHFFFAOYSA-N 1 3 345.531 3.185 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001715518485 1420204380 /nfs/dbraw/zinc/20/43/80/1420204380.db2.gz COZUCJGSRAEORB-UHFFFAOYSA-N 1 3 345.531 3.185 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715585670 1420261176 /nfs/dbraw/zinc/26/11/76/1420261176.db2.gz FLPQRVFJMGKPSE-GOSISDBHSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026420 1420483051 /nfs/dbraw/zinc/48/30/51/1420483051.db2.gz FHJSIEUGFROHRM-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001716026420 1420483053 /nfs/dbraw/zinc/48/30/53/1420483053.db2.gz FHJSIEUGFROHRM-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001716051534 1420515810 /nfs/dbraw/zinc/51/58/10/1420515810.db2.gz ZTAYFUVTAIPYSF-RBUKOAKNSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001716051534 1420515811 /nfs/dbraw/zinc/51/58/11/1420515811.db2.gz ZTAYFUVTAIPYSF-RBUKOAKNSA-N 1 3 349.563 3.364 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001716075934 1420530371 /nfs/dbraw/zinc/53/03/71/1420530371.db2.gz TUQGTVOJJRAPBH-QUCCMNQESA-N 1 3 345.531 3.018 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC2CC2)c1 ZINC001716076113 1420530378 /nfs/dbraw/zinc/53/03/78/1420530378.db2.gz WGACRUICWIMSQT-UXHICEINSA-N 1 3 343.515 3.036 10 0 EGAEHO C[C@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001716145683 1420541213 /nfs/dbraw/zinc/54/12/13/1420541213.db2.gz KIUFPPKFSZTLTC-MRXNPFEDSA-N 1 3 343.515 3.033 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001716344139 1420611709 /nfs/dbraw/zinc/61/17/09/1420611709.db2.gz QHGMBGJRGXHCOA-PALPZSCYSA-N 1 3 337.895 3.003 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001716700634 1420853222 /nfs/dbraw/zinc/85/32/22/1420853222.db2.gz KSBIADOVTUZYGZ-CALCHBBNSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001716704653 1420859307 /nfs/dbraw/zinc/85/93/07/1420859307.db2.gz YOBTVHBUFXJFMN-UYAOXDASSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001716704653 1420859309 /nfs/dbraw/zinc/85/93/09/1420859309.db2.gz YOBTVHBUFXJFMN-UYAOXDASSA-N 1 3 349.563 3.079 10 0 EGAEHO CC[C@@H](F)CNC1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001717152418 1421142736 /nfs/dbraw/zinc/14/27/36/1421142736.db2.gz BNNZAIQVAGDTLU-OAHLLOKOSA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@@H](F)CNC1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC1 ZINC001717152418 1421142738 /nfs/dbraw/zinc/14/27/38/1421142738.db2.gz BNNZAIQVAGDTLU-OAHLLOKOSA-N 1 3 341.515 3.016 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001717248369 1421220138 /nfs/dbraw/zinc/22/01/38/1421220138.db2.gz YCMSPAXTDWUYKM-FPOVZHCZSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001717248369 1421220139 /nfs/dbraw/zinc/22/01/39/1421220139.db2.gz YCMSPAXTDWUYKM-FPOVZHCZSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001717293707 1421239110 /nfs/dbraw/zinc/23/91/10/1421239110.db2.gz RFJLILOCQDLCSD-FXAWDEMLSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC2CCC(C)CC2)CC1 ZINC001717303968 1421245695 /nfs/dbraw/zinc/24/56/95/1421245695.db2.gz MFNOUZIXPDHJNL-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CC(C)(C)C3)CC2(C)C)CCC1 ZINC001717309739 1421252546 /nfs/dbraw/zinc/25/25/46/1421252546.db2.gz SCNQWAZZLFPDMG-QGZVFWFLSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)CC2(C)C)CCC1 ZINC001717309739 1421252549 /nfs/dbraw/zinc/25/25/49/1421252549.db2.gz SCNQWAZZLFPDMG-QGZVFWFLSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C ZINC001717313031 1421257997 /nfs/dbraw/zinc/25/79/97/1421257997.db2.gz IXEMNCOBRUUDGV-IBGZPJMESA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C ZINC001717313031 1421257998 /nfs/dbraw/zinc/25/79/98/1421257998.db2.gz IXEMNCOBRUUDGV-IBGZPJMESA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1ccsc1 ZINC001717339100 1421276831 /nfs/dbraw/zinc/27/68/31/1421276831.db2.gz LSNWWOOPFUAWOL-WMZOPIPTSA-N 1 3 349.544 3.093 10 0 EGAEHO Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001717339231 1421277253 /nfs/dbraw/zinc/27/72/53/1421277253.db2.gz QTDHULATMCARFY-QUCCMNQESA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001717339231 1421277256 /nfs/dbraw/zinc/27/72/56/1421277256.db2.gz QTDHULATMCARFY-QUCCMNQESA-N 1 3 345.531 3.113 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001717411479 1421343622 /nfs/dbraw/zinc/34/36/22/1421343622.db2.gz SXUABRIUHQNYQF-DLBZAZTESA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001717449637 1421379713 /nfs/dbraw/zinc/37/97/13/1421379713.db2.gz JEINDLAFGUOKHP-UHFFFAOYSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001717459954 1421389488 /nfs/dbraw/zinc/38/94/88/1421389488.db2.gz UBKHEDBLDOBBLS-IRXDYDNUSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001733298538 1429481956 /nfs/dbraw/zinc/48/19/56/1429481956.db2.gz WWGKBRNIGVYQFV-RXVVDRJESA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001733298538 1429481957 /nfs/dbraw/zinc/48/19/57/1429481957.db2.gz WWGKBRNIGVYQFV-RXVVDRJESA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001733298536 1429481964 /nfs/dbraw/zinc/48/19/64/1429481964.db2.gz WWGKBRNIGVYQFV-GHTZIAJQSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC001733298536 1429481966 /nfs/dbraw/zinc/48/19/66/1429481966.db2.gz WWGKBRNIGVYQFV-GHTZIAJQSA-N 1 3 343.515 3.012 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001717749913 1421612700 /nfs/dbraw/zinc/61/27/00/1421612700.db2.gz KUZYVZGMOCEAPZ-QFBILLFUSA-N 1 3 333.520 3.087 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)c1 ZINC001717952836 1421724512 /nfs/dbraw/zinc/72/45/12/1421724512.db2.gz PQXSVTBWRAPQHH-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO Cc1ccc(C)c(C[N@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)c1 ZINC001717952836 1421724513 /nfs/dbraw/zinc/72/45/13/1421724513.db2.gz PQXSVTBWRAPQHH-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCC2=CCCCC2)C(C)(C)C)CCC1 ZINC001717960057 1421731771 /nfs/dbraw/zinc/73/17/71/1421731771.db2.gz KUXKPFZXXWIQCY-SFHVURJKSA-N 1 3 349.563 3.482 10 0 EGAEHO CCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001717982606 1421754649 /nfs/dbraw/zinc/75/46/49/1421754649.db2.gz CJJFLNVGZWBVST-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001717985346 1421758206 /nfs/dbraw/zinc/75/82/06/1421758206.db2.gz GQOYOSWITISYQS-SFHVURJKSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001718021631 1421776981 /nfs/dbraw/zinc/77/69/81/1421776981.db2.gz QDGJGCVKICDRMX-UYAOXDASSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001718021631 1421776984 /nfs/dbraw/zinc/77/69/84/1421776984.db2.gz QDGJGCVKICDRMX-UYAOXDASSA-N 1 3 349.563 3.290 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001722915812 1424251488 /nfs/dbraw/zinc/25/14/88/1424251488.db2.gz IENPCDQGLIAQLK-HKCWIBIESA-N 1 3 343.515 3.011 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)C/C=C\c1ccccc1 ZINC001722915812 1424251492 /nfs/dbraw/zinc/25/14/92/1424251492.db2.gz IENPCDQGLIAQLK-HKCWIBIESA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001723640842 1424507733 /nfs/dbraw/zinc/50/77/33/1424507733.db2.gz SRETZTWYTTXQAT-ROUUACIJSA-N 1 3 337.552 3.410 10 0 EGAEHO CCC[N@@H+](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001723640842 1424507735 /nfs/dbraw/zinc/50/77/35/1424507735.db2.gz SRETZTWYTTXQAT-ROUUACIJSA-N 1 3 337.552 3.410 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1)N(C)C ZINC001724089462 1424655969 /nfs/dbraw/zinc/65/59/69/1424655969.db2.gz QTGRYGNZNGXLGG-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001724154152 1424696174 /nfs/dbraw/zinc/69/61/74/1424696174.db2.gz MEMQZAREXTYXST-IELZWVCUSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001724154152 1424696177 /nfs/dbraw/zinc/69/61/77/1424696177.db2.gz MEMQZAREXTYXST-IELZWVCUSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001724303082 1424786952 /nfs/dbraw/zinc/78/69/52/1424786952.db2.gz SXCRRRWHEXMIEM-SREVYHEPSA-N 1 3 346.519 3.225 10 0 EGAEHO CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001733564088 1429763983 /nfs/dbraw/zinc/76/39/83/1429763983.db2.gz XCGNDXDFDMEYAJ-BCDXTJNWSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001733564088 1429763988 /nfs/dbraw/zinc/76/39/88/1429763988.db2.gz XCGNDXDFDMEYAJ-BCDXTJNWSA-N 1 3 335.536 3.020 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001724657526 1425024680 /nfs/dbraw/zinc/02/46/80/1425024680.db2.gz ZEDCUYIIVVBVPD-PTWHKANQSA-N 1 3 347.547 3.281 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001724657526 1425024687 /nfs/dbraw/zinc/02/46/87/1425024687.db2.gz ZEDCUYIIVVBVPD-PTWHKANQSA-N 1 3 347.547 3.281 10 0 EGAEHO CCCC[N@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001724737822 1425098169 /nfs/dbraw/zinc/09/81/69/1425098169.db2.gz UGSRAXWFTUMGAC-UHFFFAOYSA-N 1 3 331.504 3.019 10 0 EGAEHO CCCC[N@@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001724737822 1425098171 /nfs/dbraw/zinc/09/81/71/1425098171.db2.gz UGSRAXWFTUMGAC-UHFFFAOYSA-N 1 3 331.504 3.019 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)CC(C)(C)C ZINC001724752174 1425122465 /nfs/dbraw/zinc/12/24/65/1425122465.db2.gz RJBOVLWELRSYSI-IYARVYRRSA-N 1 3 337.552 3.029 10 0 EGAEHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)CCC2=CCCCC2)CC1 ZINC001724857607 1425233709 /nfs/dbraw/zinc/23/37/09/1425233709.db2.gz LEBLBLQILVHJCN-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001724857607 1425233714 /nfs/dbraw/zinc/23/37/14/1425233714.db2.gz LEBLBLQILVHJCN-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001724882470 1425263828 /nfs/dbraw/zinc/26/38/28/1425263828.db2.gz DAMZDRKUAQBNSR-UHFFFAOYSA-N 1 3 347.547 3.332 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001725055602 1425491816 /nfs/dbraw/zinc/49/18/16/1425491816.db2.gz MYQJBWPJFZNVOT-GOSISDBHSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001725055602 1425491820 /nfs/dbraw/zinc/49/18/20/1425491820.db2.gz MYQJBWPJFZNVOT-GOSISDBHSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725451955 1426117425 /nfs/dbraw/zinc/11/74/25/1426117425.db2.gz GYVITCMESDRJSJ-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001725667353 1426350429 /nfs/dbraw/zinc/35/04/29/1426350429.db2.gz DXUYQUDSEWYNTC-ROUUACIJSA-N 1 3 337.552 3.122 10 0 EGAEHO CN(CC(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1)CC(C)(C)C ZINC001725676179 1426362304 /nfs/dbraw/zinc/36/23/04/1426362304.db2.gz LZNXIAKMWIQTHB-INIZCTEOSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1cc(C)c(C[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001731244670 1427199936 /nfs/dbraw/zinc/19/99/36/1427199936.db2.gz BILQVOPYXGVZRJ-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO Cc1cc(C)c(C[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001731244670 1427199942 /nfs/dbraw/zinc/19/99/42/1427199942.db2.gz BILQVOPYXGVZRJ-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001731364368 1427297693 /nfs/dbraw/zinc/29/76/93/1427297693.db2.gz OZDRXVMVPBWFFE-SREVYHEPSA-N 1 3 335.536 3.140 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001731385906 1427331150 /nfs/dbraw/zinc/33/11/50/1427331150.db2.gz OXCMXJXMAVIYCP-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503500 1427486815 /nfs/dbraw/zinc/48/68/15/1427486815.db2.gz MIXWVDAWFBKNHD-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503500 1427486822 /nfs/dbraw/zinc/48/68/22/1427486822.db2.gz MIXWVDAWFBKNHD-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCC1 ZINC001731543382 1427556300 /nfs/dbraw/zinc/55/63/00/1427556300.db2.gz WYPDWQXFCHIUEQ-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)N1CCCC1 ZINC001731543382 1427556305 /nfs/dbraw/zinc/55/63/05/1427556305.db2.gz WYPDWQXFCHIUEQ-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710162 1427765483 /nfs/dbraw/zinc/76/54/83/1427765483.db2.gz DRVVOBYGQVNNIC-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710162 1427765484 /nfs/dbraw/zinc/76/54/84/1427765484.db2.gz DRVVOBYGQVNNIC-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001731739946 1427826162 /nfs/dbraw/zinc/82/61/62/1427826162.db2.gz KMUNHTREGSABBE-HUUCEWRRSA-N 1 3 339.911 3.226 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001731754890 1427853510 /nfs/dbraw/zinc/85/35/10/1427853510.db2.gz DVUZSVRBAIGESE-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001731754890 1427853515 /nfs/dbraw/zinc/85/35/15/1427853515.db2.gz DVUZSVRBAIGESE-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1cc(CN2CCC[C@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001731829778 1428037807 /nfs/dbraw/zinc/03/78/07/1428037807.db2.gz SIFDWUMWCISIQZ-MSOLQXFVSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CCC[C@H]2CNC(=O)CC[C@H]2CCC[N@@H+]2C)cs1 ZINC001731829778 1428037810 /nfs/dbraw/zinc/03/78/10/1428037810.db2.gz SIFDWUMWCISIQZ-MSOLQXFVSA-N 1 3 349.544 3.012 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001733599535 1429800699 /nfs/dbraw/zinc/80/06/99/1429800699.db2.gz OBMZDWRWKSTJCT-FHWLQOOXSA-N 1 3 337.552 3.218 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001733599535 1429800704 /nfs/dbraw/zinc/80/07/04/1429800704.db2.gz OBMZDWRWKSTJCT-FHWLQOOXSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733904573 1437722966 /nfs/dbraw/zinc/72/29/66/1437722966.db2.gz ZZPVZJUOHJMYKT-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733904573 1437722968 /nfs/dbraw/zinc/72/29/68/1437722968.db2.gz ZZPVZJUOHJMYKT-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001734197209 1437938684 /nfs/dbraw/zinc/93/86/84/1437938684.db2.gz MZFCYDKWEDCPEW-IBGZPJMESA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001734197209 1437938685 /nfs/dbraw/zinc/93/86/85/1437938685.db2.gz MZFCYDKWEDCPEW-IBGZPJMESA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@H](C)c1ccccc1F)C1CC1 ZINC001734308924 1438040335 /nfs/dbraw/zinc/04/03/35/1438040335.db2.gz PMOIFFGAVLEZMS-DNVCBOLYSA-N 1 3 349.494 3.054 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001734489851 1438129999 /nfs/dbraw/zinc/12/99/99/1438129999.db2.gz XVQNCBSEKBTPMQ-ICSRJNTNSA-N 1 3 345.531 3.018 10 0 EGAEHO Cc1cccc(C[N@@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)c1 ZINC001734553838 1438152718 /nfs/dbraw/zinc/15/27/18/1438152718.db2.gz WYVITJQSZFMYLT-UHFFFAOYSA-N 1 3 333.520 3.004 10 0 EGAEHO Cc1cccc(C[N@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C)c1 ZINC001734553838 1438152719 /nfs/dbraw/zinc/15/27/19/1438152719.db2.gz WYVITJQSZFMYLT-UHFFFAOYSA-N 1 3 333.520 3.004 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001750945218 1440118109 /nfs/dbraw/zinc/11/81/09/1440118109.db2.gz RQNBGOKBHARMSN-INIZCTEOSA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001750945218 1440118110 /nfs/dbraw/zinc/11/81/10/1440118110.db2.gz RQNBGOKBHARMSN-INIZCTEOSA-N 1 3 334.508 3.058 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000368530122 168368989 /nfs/dbraw/zinc/36/89/89/168368989.db2.gz ISIQGYPORBNCQG-VURPSTOHSA-N 1 3 329.532 3.217 10 0 EGAEHO CCN(CC)[C@H](C)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000127565995 205106509 /nfs/dbraw/zinc/10/65/09/205106509.db2.gz NYUIDQIZMWZYGT-QGZVFWFLSA-N 1 3 335.511 3.153 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc(F)c1 ZINC000268820339 252270914 /nfs/dbraw/zinc/27/09/14/252270914.db2.gz RUJTZZJLOULWSX-MAODMQOUSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cccc(F)c1 ZINC000268820339 252270916 /nfs/dbraw/zinc/27/09/16/252270916.db2.gz RUJTZZJLOULWSX-MAODMQOUSA-N 1 3 342.458 3.359 10 0 EGAEHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353438724 141295234 /nfs/dbraw/zinc/29/52/34/141295234.db2.gz VEQSYVGVGSCSJY-TYPHKJRUSA-N 1 3 338.499 3.452 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454385 141299520 /nfs/dbraw/zinc/29/95/20/141299520.db2.gz JNJQVAYHSKLJRT-YDZRNGNQSA-N 1 3 331.504 3.269 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454385 141299522 /nfs/dbraw/zinc/29/95/22/141299522.db2.gz JNJQVAYHSKLJRT-YDZRNGNQSA-N 1 3 331.504 3.269 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353454385 141299524 /nfs/dbraw/zinc/29/95/24/141299524.db2.gz JNJQVAYHSKLJRT-YDZRNGNQSA-N 1 3 331.504 3.269 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@H]2CCCO2)CC1 ZINC000352649759 156399347 /nfs/dbraw/zinc/39/93/47/156399347.db2.gz OJBPGWHSVSTJQM-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@H]2CCCO2)CC1 ZINC000352649759 156399349 /nfs/dbraw/zinc/39/93/49/156399349.db2.gz OJBPGWHSVSTJQM-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248417793 163002705 /nfs/dbraw/zinc/00/27/05/163002705.db2.gz RQYOZIFOZRVYHX-FCXXMXSZSA-N 1 3 338.499 3.290 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425636 274246321 /nfs/dbraw/zinc/24/63/21/274246321.db2.gz OITKHJBRSZBBKR-CRAIPNDOSA-N 1 3 345.512 3.239 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000279767425 275357728 /nfs/dbraw/zinc/35/77/28/275357728.db2.gz SDHYVHLLOQGLCH-MAODMQOUSA-N 1 3 326.484 3.158 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000279767425 275357729 /nfs/dbraw/zinc/35/77/29/275357729.db2.gz SDHYVHLLOQGLCH-MAODMQOUSA-N 1 3 326.484 3.158 10 0 EGAEHO CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261917028 276060745 /nfs/dbraw/zinc/06/07/45/276060745.db2.gz XDTRXKMAYAWHDC-QWFCFKBJSA-N 1 3 343.515 3.060 10 0 EGAEHO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350918025 279461166 /nfs/dbraw/zinc/46/11/66/279461166.db2.gz KYDYAXVLBDUYDM-SFHVURJKSA-N 1 3 345.531 3.086 10 0 EGAEHO O=C(C[N@@H+]1CCC[C@H]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000061040246 307352277 /nfs/dbraw/zinc/35/22/77/307352277.db2.gz RUBUPKVABVSBND-FQEVSTJZSA-N 1 3 347.547 3.164 10 0 EGAEHO O=C(C[N@H+]1CCC[C@H]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000061040246 307352279 /nfs/dbraw/zinc/35/22/79/307352279.db2.gz RUBUPKVABVSBND-FQEVSTJZSA-N 1 3 347.547 3.164 10 0 EGAEHO Fc1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000414564182 309089588 /nfs/dbraw/zinc/08/95/88/309089588.db2.gz CLZPDSHIABIJJZ-SFHVURJKSA-N 1 3 340.446 3.058 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2cccs2)cc1 ZINC000414813612 309103142 /nfs/dbraw/zinc/10/31/42/309103142.db2.gz UEOWEXTUIASAJC-CYBMUJFWSA-N 1 3 326.469 3.458 10 0 EGAEHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414816264 309103411 /nfs/dbraw/zinc/10/34/11/309103411.db2.gz ZSVJTWCBAPANGW-KGLIPLIRSA-N 1 3 329.419 3.352 10 0 EGAEHO COc1ccc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000415081089 309118831 /nfs/dbraw/zinc/11/88/31/309118831.db2.gz JZWGKBAINPRMAU-KSZLIROESA-N 1 3 332.488 3.147 10 0 EGAEHO c1cnn(-c2ccccc2CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415083848 309119114 /nfs/dbraw/zinc/11/91/14/309119114.db2.gz FWSSDMFMQVHMLG-PMACEKPBSA-N 1 3 332.451 3.455 10 0 EGAEHO CCOc1ccc(C2(CNC[C@@H]([NH3+])CC(C)C)CCOCC2)cc1 ZINC000415085449 309119403 /nfs/dbraw/zinc/11/94/03/309119403.db2.gz IFOOCQINNPOMDG-SFHVURJKSA-N 1 3 334.504 3.097 10 0 EGAEHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000418695758 309253980 /nfs/dbraw/zinc/25/39/80/309253980.db2.gz LRIXLAWHXWCSAM-MRXNPFEDSA-N 1 3 340.556 3.046 10 0 EGAEHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000421388573 309322384 /nfs/dbraw/zinc/32/23/84/309322384.db2.gz QARWPNJISSNSCC-AZUAARDMSA-N 1 3 345.531 3.264 10 0 EGAEHO COC[C@@H](CCC[NH3+])NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422709453 309364139 /nfs/dbraw/zinc/36/41/39/309364139.db2.gz DJXXOQYECLWXTB-LJQANCHMSA-N 1 3 347.503 3.049 10 0 EGAEHO Fc1ccc(F)c(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816761 309369874 /nfs/dbraw/zinc/36/98/74/309369874.db2.gz BGXIZARGJZDUCN-UYAOXDASSA-N 1 3 344.405 3.353 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000422830270 309370798 /nfs/dbraw/zinc/37/07/98/309370798.db2.gz CJXKUNPAIZGCLQ-MRXNPFEDSA-N 1 3 327.472 3.496 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422921206 309376307 /nfs/dbraw/zinc/37/63/07/309376307.db2.gz NRIMHPMVADYCSH-UYAOXDASSA-N 1 3 336.483 3.385 10 0 EGAEHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422947302 309377583 /nfs/dbraw/zinc/37/75/83/309377583.db2.gz YEPUUURCSLFSQX-DQLDELGASA-N 1 3 340.467 3.108 10 0 EGAEHO CCCC(O)(CCC)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974383 309379054 /nfs/dbraw/zinc/37/90/54/309379054.db2.gz DWJQSTOJEGSMPV-FXAWDEMLSA-N 1 3 332.488 3.163 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423089536 309385337 /nfs/dbraw/zinc/38/53/37/309385337.db2.gz VIUWMESAIJEMQQ-FJBKBRRZSA-N 1 3 333.442 3.041 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423127676 309387270 /nfs/dbraw/zinc/38/72/70/309387270.db2.gz CIHBVYFIZLZRHR-LLVKDONJSA-N 1 3 338.377 3.156 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423291971 309394219 /nfs/dbraw/zinc/39/42/19/309394219.db2.gz KURLWIJXIFMUSG-HUUCEWRRSA-N 1 3 325.456 3.259 10 0 EGAEHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487241 309402432 /nfs/dbraw/zinc/40/24/32/309402432.db2.gz TZBREYNNDFUFEU-KGLIPLIRSA-N 1 3 333.867 3.104 10 0 EGAEHO CCCCN(C)CC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449150175 310040476 /nfs/dbraw/zinc/04/04/76/310040476.db2.gz YXVBTPWEDRJYET-IBGZPJMESA-N 1 3 331.548 3.404 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)n[nH]1 ZINC000449188268 310043253 /nfs/dbraw/zinc/04/32/53/310043253.db2.gz KAQBSXSLFDYOEA-FUHWJXTLSA-N 1 3 340.515 3.334 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@]2(CCO)CCOC2)CC1 ZINC000449192241 310043546 /nfs/dbraw/zinc/04/35/46/310043546.db2.gz TXGCLGIFZWIOGI-HXUWFJFHSA-N 1 3 340.552 3.044 10 0 EGAEHO CCOC(=O)[C@H](C)[C@@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449242197 310047125 /nfs/dbraw/zinc/04/71/25/310047125.db2.gz WMSOTGZUUCACOC-KZNAEPCWSA-N 1 3 346.515 3.259 10 0 EGAEHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490182 310066224 /nfs/dbraw/zinc/06/62/24/310066224.db2.gz WJXIEQUYDNZJDV-WMZOPIPTSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(CF)CCOCC3)CC2)C1 ZINC000449490182 310066225 /nfs/dbraw/zinc/06/62/25/310066225.db2.gz WJXIEQUYDNZJDV-WMZOPIPTSA-N 1 3 326.500 3.385 10 0 EGAEHO CC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccncc1 ZINC000453121152 310259381 /nfs/dbraw/zinc/25/93/81/310259381.db2.gz OVBHVRQGXXKTER-IBGZPJMESA-N 1 3 330.520 3.073 10 0 EGAEHO Cn1cc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)C(C)(C)C)cn1 ZINC000459419310 310551329 /nfs/dbraw/zinc/55/13/29/310551329.db2.gz FCBZFLHPFZRVKI-SFHVURJKSA-N 1 3 327.476 3.161 10 0 EGAEHO Cc1ccc(NC(=O)C2(CN[C@@H]3CCC[C@H]3[NH3+])CCCC2)cc1C ZINC000516642935 312335037 /nfs/dbraw/zinc/33/50/37/312335037.db2.gz FJLQQFMIWMJZQR-QZTJIDSGSA-N 1 3 329.488 3.272 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527741086 312929426 /nfs/dbraw/zinc/92/94/26/312929426.db2.gz XVTAXFNGYQIBKF-LJQANCHMSA-N 1 3 345.531 3.125 10 0 EGAEHO CCN(CC)Cc1cc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216946 313498742 /nfs/dbraw/zinc/49/87/42/313498742.db2.gz QYQBOROPVOCMIJ-JXFKEZNVSA-N 1 3 345.531 3.472 10 0 EGAEHO CN1CCN(CCCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540263285 314372586 /nfs/dbraw/zinc/37/25/86/314372586.db2.gz QOOOOBNOCXYMKV-IBGZPJMESA-N 1 3 335.923 3.408 10 0 EGAEHO CN(C)Cc1ccccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000565704952 316358915 /nfs/dbraw/zinc/35/89/15/316358915.db2.gz HXBJVKRLZUYEBM-UHFFFAOYSA-N 1 3 337.467 3.135 10 0 EGAEHO CN(C)Cc1ccccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000565704952 316358919 /nfs/dbraw/zinc/35/89/19/316358919.db2.gz HXBJVKRLZUYEBM-UHFFFAOYSA-N 1 3 337.467 3.135 10 0 EGAEHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000570562525 317073177 /nfs/dbraw/zinc/07/31/77/317073177.db2.gz UFVXFHBEPDEUOT-PMACEKPBSA-N 1 3 332.488 3.132 10 0 EGAEHO CN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572378353 317331525 /nfs/dbraw/zinc/33/15/25/317331525.db2.gz ACTFLRVGWNNHTI-UWWPHRKUSA-N 1 3 325.859 3.084 10 0 EGAEHO CN(C)CCNC(=O)c1ccc(C[NH2+]CCCC2CCCCC2)cc1 ZINC000574120983 317562607 /nfs/dbraw/zinc/56/26/07/317562607.db2.gz XCIAAPLDEGMNKB-UHFFFAOYSA-N 1 3 345.531 3.428 10 0 EGAEHO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580455932 325253341 /nfs/dbraw/zinc/25/33/41/325253341.db2.gz UTARXWDYGGMRMQ-INIZCTEOSA-N 1 3 347.466 3.106 10 0 EGAEHO Cc1cc(CNC2CCC(C[NH+](C)C)CC2)ncc1Br ZINC000623470460 460567064 /nfs/dbraw/zinc/56/70/64/460567064.db2.gz MGBSBCJOSSLLST-UHFFFAOYSA-N 1 3 340.309 3.363 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000183422947 455291934 /nfs/dbraw/zinc/29/19/34/455291934.db2.gz JMRBBOXEWQHBFI-MJGOQNOKSA-N 1 3 349.906 3.076 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000623487254 460576309 /nfs/dbraw/zinc/57/63/09/460576309.db2.gz YTHPIUVALGNPLZ-SXLOBPIMSA-N 1 3 329.532 3.359 10 0 EGAEHO CC[C@@H](C)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000626655421 460617262 /nfs/dbraw/zinc/61/72/62/460617262.db2.gz XJCKBYFHXIKZMS-MRXNPFEDSA-N 1 3 334.508 3.157 10 0 EGAEHO CCN(CC)CCC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000122999138 454591217 /nfs/dbraw/zinc/59/12/17/454591217.db2.gz DPJXYYZKSTUFKY-OAHLLOKOSA-N 1 3 329.488 3.355 10 0 EGAEHO C[C@@H]1C[C@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@@H+]1C ZINC000123187195 454613108 /nfs/dbraw/zinc/61/31/08/454613108.db2.gz GZDHBRTYIICXEY-ZIAGYGMSSA-N 1 3 334.489 3.145 10 0 EGAEHO C[C@@H]1C[C@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@H+]1C ZINC000123187195 454613115 /nfs/dbraw/zinc/61/31/15/454613115.db2.gz GZDHBRTYIICXEY-ZIAGYGMSSA-N 1 3 334.489 3.145 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000081094896 454685529 /nfs/dbraw/zinc/68/55/29/454685529.db2.gz KXHATTPSJKTVMA-CABCVRRESA-N 1 3 348.516 3.393 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000081094896 454685533 /nfs/dbraw/zinc/68/55/33/454685533.db2.gz KXHATTPSJKTVMA-CABCVRRESA-N 1 3 348.516 3.393 10 0 EGAEHO COCCC[NH+]1CCC(N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166459689 454911521 /nfs/dbraw/zinc/91/15/21/454911521.db2.gz HYPRKBQKCXHVFL-GHTZIAJQSA-N 1 3 346.515 3.245 10 0 EGAEHO CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000170606434 454940706 /nfs/dbraw/zinc/94/07/06/454940706.db2.gz MRKYPWVXNCMYRV-SFTDATJTSA-N 1 3 348.531 3.149 10 0 EGAEHO CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000170606434 454940707 /nfs/dbraw/zinc/94/07/07/454940707.db2.gz MRKYPWVXNCMYRV-SFTDATJTSA-N 1 3 348.531 3.149 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180015160 455116094 /nfs/dbraw/zinc/11/60/94/455116094.db2.gz ZLKZYDOIDMTWLT-LJQANCHMSA-N 1 3 335.923 3.408 10 0 EGAEHO CN(CCCc1nc(-c2cccs2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000152503537 455128354 /nfs/dbraw/zinc/12/83/54/455128354.db2.gz LJKNLYRNJVYICM-AWEZNQCLSA-N 1 3 334.489 3.004 10 0 EGAEHO CN(CCCc1nc(-c2cccs2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152503537 455128358 /nfs/dbraw/zinc/12/83/58/455128358.db2.gz LJKNLYRNJVYICM-AWEZNQCLSA-N 1 3 334.489 3.004 10 0 EGAEHO CN1CCC[C@@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CC[C@@H]21 ZINC000158506169 455308807 /nfs/dbraw/zinc/30/88/07/455308807.db2.gz AHHVISZZASQLSJ-CABCVRRESA-N 1 3 346.500 3.147 10 0 EGAEHO CN1CCC[C@@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CC[C@@H]21 ZINC000158506169 455308808 /nfs/dbraw/zinc/30/88/08/455308808.db2.gz AHHVISZZASQLSJ-CABCVRRESA-N 1 3 346.500 3.147 10 0 EGAEHO COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CCN(C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281452 455311830 /nfs/dbraw/zinc/31/18/30/455311830.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281452 455311833 /nfs/dbraw/zinc/31/18/33/455311833.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281452 455311837 /nfs/dbraw/zinc/31/18/37/455311837.db2.gz BRMVMLLLWSSNNB-ZHFAOOELSA-N 1 3 343.515 3.045 10 0 EGAEHO C[C@@H]([NH2+]CCCc1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000181491914 455343102 /nfs/dbraw/zinc/34/31/02/455343102.db2.gz OBMSRSFZDNKEKC-QGZVFWFLSA-N 1 3 327.472 3.305 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000246578529 455509895 /nfs/dbraw/zinc/50/98/95/455509895.db2.gz FYEZZPRWKMDJMN-KBMXLJTQSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000246578529 455509898 /nfs/dbraw/zinc/50/98/98/455509898.db2.gz FYEZZPRWKMDJMN-KBMXLJTQSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000268746461 455712391 /nfs/dbraw/zinc/71/23/91/455712391.db2.gz HUBNJVKMOBLGEZ-DYESRHJHSA-N 1 3 327.516 3.113 10 0 EGAEHO COc1ccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000272027039 455825414 /nfs/dbraw/zinc/82/54/14/455825414.db2.gz MMCFIGGQJAKBTD-UHFFFAOYSA-N 1 3 340.471 3.224 10 0 EGAEHO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000296364036 455918688 /nfs/dbraw/zinc/91/86/88/455918688.db2.gz IWNVPGSIVCVTTR-QGZVFWFLSA-N 1 3 327.472 3.224 10 0 EGAEHO c1ccc(OC2CCCC2)c(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261995419 455982798 /nfs/dbraw/zinc/98/27/98/455982798.db2.gz TYMGOXYILOCDEC-ZCNNSNEGSA-N 1 3 344.499 3.255 10 0 EGAEHO c1ccc(CN2CC[C@@H](N3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246476 456189240 /nfs/dbraw/zinc/18/92/40/456189240.db2.gz CPQMDDYCWHPJEL-NHCUHLMSSA-N 1 3 327.516 3.069 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353525597 456736652 /nfs/dbraw/zinc/73/66/52/456736652.db2.gz HKULPZSBIDOQQV-JSXRDJHFSA-N 1 3 327.516 3.113 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000348683303 456815091 /nfs/dbraw/zinc/81/50/91/456815091.db2.gz OUHWRIBREMFELY-WVLNKYAVSA-N 1 3 335.536 3.066 10 0 EGAEHO CC(=O)NC1CCC(NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000348683303 456815098 /nfs/dbraw/zinc/81/50/98/456815098.db2.gz OUHWRIBREMFELY-WVLNKYAVSA-N 1 3 335.536 3.066 10 0 EGAEHO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000341272762 456828841 /nfs/dbraw/zinc/82/88/41/456828841.db2.gz PRLUGKGEOSBSHZ-RTBURBONSA-N 1 3 346.515 3.454 10 0 EGAEHO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000356594302 457073241 /nfs/dbraw/zinc/07/32/41/457073241.db2.gz HXQAYDFHMOSCBU-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000356594302 457073245 /nfs/dbraw/zinc/07/32/45/457073245.db2.gz HXQAYDFHMOSCBU-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342685681 457454942 /nfs/dbraw/zinc/45/49/42/457454942.db2.gz ZDBPMUGHVPBVSA-HDICACEKSA-N 1 3 343.515 3.162 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397564706 457488800 /nfs/dbraw/zinc/48/88/00/457488800.db2.gz UZRZPPZXBVGJJW-QZTJIDSGSA-N 1 3 330.516 3.428 10 0 EGAEHO CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397760793 457491953 /nfs/dbraw/zinc/49/19/53/457491953.db2.gz KYVUBGUNXPPQDE-RTBURBONSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511677 457762102 /nfs/dbraw/zinc/76/21/02/457762102.db2.gz URYNUQVEOGYRBN-FGTMMUONSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361511677 457762106 /nfs/dbraw/zinc/76/21/06/457762106.db2.gz URYNUQVEOGYRBN-FGTMMUONSA-N 1 3 335.536 3.020 10 0 EGAEHO Cc1cccc(NCCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000358386783 457969900 /nfs/dbraw/zinc/96/99/00/457969900.db2.gz SPGRDDWYWVBLNG-PXNSSMCTSA-N 1 3 338.499 3.302 10 0 EGAEHO Cc1cccc(NCCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000358386783 457969901 /nfs/dbraw/zinc/96/99/01/457969901.db2.gz SPGRDDWYWVBLNG-PXNSSMCTSA-N 1 3 338.499 3.302 10 0 EGAEHO Cc1ncc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000358730638 458175874 /nfs/dbraw/zinc/17/58/74/458175874.db2.gz XIJRONPSFTVQAL-UHFFFAOYSA-N 1 3 344.890 3.440 10 0 EGAEHO CCC1(CNCc2ccnn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000372232026 458240392 /nfs/dbraw/zinc/24/03/92/458240392.db2.gz OQWWYLRTKGRCRY-UHFFFAOYSA-N 1 3 326.488 3.202 10 0 EGAEHO CCc1cccc(CC)c1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287445 458603411 /nfs/dbraw/zinc/60/34/11/458603411.db2.gz ITWVOECDZYRHMW-MRXNPFEDSA-N 1 3 343.515 3.214 10 0 EGAEHO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876331 458663537 /nfs/dbraw/zinc/66/35/37/458663537.db2.gz DMTRSZPIHFZAHP-OLZOCXBDSA-N 1 3 335.398 3.461 10 0 EGAEHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876331 458663544 /nfs/dbraw/zinc/66/35/44/458663544.db2.gz DMTRSZPIHFZAHP-OLZOCXBDSA-N 1 3 335.398 3.461 10 0 EGAEHO C[C@@H]1CN(C)C[C@H]1NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682920 458958770 /nfs/dbraw/zinc/95/87/70/458958770.db2.gz KLINKZLOOSXYJR-BMQTXXJKSA-N 1 3 329.532 3.204 10 0 EGAEHO C[C@@H]1CN(C)C[C@H]1NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682920 458958773 /nfs/dbraw/zinc/95/87/73/458958773.db2.gz KLINKZLOOSXYJR-BMQTXXJKSA-N 1 3 329.532 3.204 10 0 EGAEHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000595021336 459218406 /nfs/dbraw/zinc/21/84/06/459218406.db2.gz CFJVAGGUTVCPHD-IAGOWNOFSA-N 1 3 326.525 3.312 10 0 EGAEHO c1n[nH]c2c1CC[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000568510324 459300424 /nfs/dbraw/zinc/30/04/24/459300424.db2.gz HYWFJEBCNLEFOY-RTBURBONSA-N 1 3 336.483 3.054 10 0 EGAEHO C[C@@H](NC(C)(C)CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000573858824 459747469 /nfs/dbraw/zinc/74/74/69/459747469.db2.gz CALDYNRJZOABDU-MRXNPFEDSA-N 1 3 339.483 3.047 10 0 EGAEHO CN(CCCO)C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000584561567 459767411 /nfs/dbraw/zinc/76/74/11/459767411.db2.gz POIOCSYXEFULIU-UHFFFAOYSA-N 1 3 332.532 3.305 10 0 EGAEHO CCn1nccc1CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000576055226 460059993 /nfs/dbraw/zinc/05/99/93/460059993.db2.gz KWWZVIVTSZNGBH-GOSISDBHSA-N 1 3 332.536 3.422 10 0 EGAEHO CCn1nccc1CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000576055226 460060001 /nfs/dbraw/zinc/06/00/01/460060001.db2.gz KWWZVIVTSZNGBH-GOSISDBHSA-N 1 3 332.536 3.422 10 0 EGAEHO CSC1(CNCc2ccsc2Br)CC[NH+](C)CC1 ZINC000598973257 460111563 /nfs/dbraw/zinc/11/15/63/460111563.db2.gz BGDPUOXANULJQC-UHFFFAOYSA-N 1 3 349.363 3.428 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1(C)C ZINC000623342825 460499656 /nfs/dbraw/zinc/49/96/56/460499656.db2.gz QBSUWRNHTTVMHK-CQSZACIVSA-N 1 3 338.879 3.464 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623383176 460519843 /nfs/dbraw/zinc/51/98/43/460519843.db2.gz HPGOFXDXFPWMSW-UXHICEINSA-N 1 3 329.532 3.361 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)CC1(C)C ZINC000623414482 460537075 /nfs/dbraw/zinc/53/70/75/460537075.db2.gz FVKBDLGEDJKAEK-IBGZPJMESA-N 1 3 346.515 3.345 10 0 EGAEHO [NH3+]CCCOCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629541499 460801346 /nfs/dbraw/zinc/80/13/46/460801346.db2.gz POFODNZKROXOJV-LJQANCHMSA-N 1 3 334.410 3.204 10 0 EGAEHO [NH3+]CCCOCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000629677772 460863833 /nfs/dbraw/zinc/86/38/33/460863833.db2.gz HGNNUAWTTUNHOV-UHFFFAOYSA-N 1 3 344.299 3.179 10 0 EGAEHO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1 ZINC000629703054 460877137 /nfs/dbraw/zinc/87/71/37/460877137.db2.gz YKPMCLJPNSUKBX-QGZVFWFLSA-N 1 3 336.483 3.143 10 0 EGAEHO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1 ZINC000629703054 460877143 /nfs/dbraw/zinc/87/71/43/460877143.db2.gz YKPMCLJPNSUKBX-QGZVFWFLSA-N 1 3 336.483 3.143 10 0 EGAEHO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC1CC1 ZINC000628273440 461068211 /nfs/dbraw/zinc/06/82/11/461068211.db2.gz UUCHLNNWWRBSDM-SJPCQFCGSA-N 1 3 330.472 3.293 10 0 EGAEHO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC1CC1 ZINC000628273440 461068217 /nfs/dbraw/zinc/06/82/17/461068217.db2.gz UUCHLNNWWRBSDM-SJPCQFCGSA-N 1 3 330.472 3.293 10 0 EGAEHO Cc1ccc([C@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000628279934 461070115 /nfs/dbraw/zinc/07/01/15/461070115.db2.gz IHLHUKUTOVVBTL-VMSMKEMKSA-N 1 3 341.543 3.341 10 0 EGAEHO Cc1ccc([C@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000628279934 461070121 /nfs/dbraw/zinc/07/01/21/461070121.db2.gz IHLHUKUTOVVBTL-VMSMKEMKSA-N 1 3 341.543 3.341 10 0 EGAEHO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)cc1 ZINC000628337742 461093176 /nfs/dbraw/zinc/09/31/76/461093176.db2.gz POFOVVNVYIQPNQ-GCJKJVERSA-N 1 3 338.495 3.455 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662450773 461247853 /nfs/dbraw/zinc/24/78/53/461247853.db2.gz VXWRETXNUBLCRY-JTDSTZFVSA-N 1 3 343.515 3.058 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000655813525 461470095 /nfs/dbraw/zinc/47/00/95/461470095.db2.gz ZGAHOEAHSZWCCS-UXHICEINSA-N 1 3 332.488 3.064 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000659873021 461473465 /nfs/dbraw/zinc/47/34/65/461473465.db2.gz JCRIUAZSEWURNB-GOSISDBHSA-N 1 3 338.442 3.255 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000659873021 461473471 /nfs/dbraw/zinc/47/34/71/461473471.db2.gz JCRIUAZSEWURNB-GOSISDBHSA-N 1 3 338.442 3.255 10 0 EGAEHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1oc2ccccc2c1Cl ZINC000631068841 461518507 /nfs/dbraw/zinc/51/85/07/461518507.db2.gz XIGGSGBEKCMBSR-AWEZNQCLSA-N 1 3 336.863 3.413 10 0 EGAEHO OC[C@@H]1CCC[N@H+]1CCCCNCc1oc2ccccc2c1Cl ZINC000631068841 461518513 /nfs/dbraw/zinc/51/85/13/461518513.db2.gz XIGGSGBEKCMBSR-AWEZNQCLSA-N 1 3 336.863 3.413 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cnn(-c3ccccc3C)c2)CC1 ZINC000647187181 461553216 /nfs/dbraw/zinc/55/32/16/461553216.db2.gz FZPFIJVWUOPZOH-UHFFFAOYSA-N 1 3 326.488 3.392 10 0 EGAEHO c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCCO2 ZINC000656785141 461895303 /nfs/dbraw/zinc/89/53/03/461895303.db2.gz JKQGTTGBFPTKFD-QGZVFWFLSA-N 1 3 330.472 3.060 10 0 EGAEHO C[C@@H]1C[C@H](CNCc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710100 461903601 /nfs/dbraw/zinc/90/36/01/461903601.db2.gz DMWRIBUZYTXJGP-HUUCEWRRSA-N 1 3 329.419 3.491 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1cn(C)nc1-c1cccs1 ZINC000650719620 461912015 /nfs/dbraw/zinc/91/20/15/461912015.db2.gz WNTHJAXWOKAWGY-UHFFFAOYSA-N 1 3 326.469 3.158 10 0 EGAEHO COc1ccc([C@H](C)NCCC2(C[NH3+])CC2)c(Br)c1 ZINC000650745564 461929197 /nfs/dbraw/zinc/92/91/97/461929197.db2.gz JPSCDBWUKBJQCH-NSHDSACASA-N 1 3 327.266 3.237 10 0 EGAEHO Cc1ccc2nccc(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000664153261 461960919 /nfs/dbraw/zinc/96/09/19/461960919.db2.gz RNIYNEOAFUZDML-UHFFFAOYSA-N 1 3 339.483 3.268 10 0 EGAEHO CC[C@H]1C[C@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301320 462028574 /nfs/dbraw/zinc/02/85/74/462028574.db2.gz ZUUXLRPJNWVXIJ-FPOVZHCZSA-N 1 3 345.531 3.054 10 0 EGAEHO C[C@@H]1C[C@@H](CCNCc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415866 462109245 /nfs/dbraw/zinc/10/92/45/462109245.db2.gz ODELTFWJOIDRLG-IEBWSBKVSA-N 1 3 338.499 3.220 10 0 EGAEHO C[C@@H]1C[C@@H](CCNCc2cnn3c2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657415866 462109250 /nfs/dbraw/zinc/10/92/50/462109250.db2.gz ODELTFWJOIDRLG-IEBWSBKVSA-N 1 3 338.499 3.220 10 0 EGAEHO Fc1cc(Cl)ccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537287 462172406 /nfs/dbraw/zinc/17/24/06/462172406.db2.gz GVZCCVIXFUWAEQ-UHFFFAOYSA-N 1 3 340.870 3.460 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(C(F)(F)F)s1 ZINC000657573049 462186755 /nfs/dbraw/zinc/18/67/55/462186755.db2.gz IFCCVJWQHUSLFP-LBPRGKRZSA-N 1 3 337.455 3.129 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc4c3CCC4)cc2)C1 ZINC000657595593 462196327 /nfs/dbraw/zinc/19/63/27/462196327.db2.gz IVGRQRQLADSPSY-OAQYLSRUSA-N 1 3 336.479 3.032 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc4c3CCC4)cc2)C1 ZINC000657595593 462196331 /nfs/dbraw/zinc/19/63/31/462196331.db2.gz IVGRQRQLADSPSY-OAQYLSRUSA-N 1 3 336.479 3.032 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccccc3C3CC3)cc2)C1 ZINC000657594618 462196528 /nfs/dbraw/zinc/19/65/28/462196528.db2.gz JDJHGPUOLMHKRU-NRFANRHFSA-N 1 3 336.479 3.420 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccccc3C3CC3)cc2)C1 ZINC000657594618 462196536 /nfs/dbraw/zinc/19/65/36/462196536.db2.gz JDJHGPUOLMHKRU-NRFANRHFSA-N 1 3 336.479 3.420 10 0 EGAEHO C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657596197 462197841 /nfs/dbraw/zinc/19/78/41/462197841.db2.gz VSFBCGXPCFWPRT-CAVPUYEOSA-N 1 3 336.479 3.446 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657598076 462199054 /nfs/dbraw/zinc/19/90/54/462199054.db2.gz XXTKCVNYBZFPQK-INIZCTEOSA-N 1 3 348.537 3.326 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657598076 462199058 /nfs/dbraw/zinc/19/90/58/462199058.db2.gz XXTKCVNYBZFPQK-INIZCTEOSA-N 1 3 348.537 3.326 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000648745125 462257911 /nfs/dbraw/zinc/25/79/11/462257911.db2.gz IRUJTZJZJSTOGA-HNBVOPMISA-N 1 3 343.515 3.011 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000648745125 462257918 /nfs/dbraw/zinc/25/79/18/462257918.db2.gz IRUJTZJZJSTOGA-HNBVOPMISA-N 1 3 343.515 3.011 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667821203 462279130 /nfs/dbraw/zinc/27/91/30/462279130.db2.gz XSBHSLCOWOQKSZ-CTNGQTDRSA-N 1 3 344.499 3.064 10 0 EGAEHO c1cn(Cc2ccccc2)c(CNCC2CC[NH+](CC3CC3)CC2)n1 ZINC000657812423 462280202 /nfs/dbraw/zinc/28/02/02/462280202.db2.gz BHMOMWCRHDKVPA-UHFFFAOYSA-N 1 3 338.499 3.143 10 0 EGAEHO Cc1ccccc1-n1cc(CNCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657816752 462281677 /nfs/dbraw/zinc/28/16/77/462281677.db2.gz ZRENAQYHVQWALA-UHFFFAOYSA-N 1 3 338.499 3.392 10 0 EGAEHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713790 462311930 /nfs/dbraw/zinc/31/19/30/462311930.db2.gz DOTGESZRRRAQPY-HOCLYGCPSA-N 1 3 340.870 3.293 10 0 EGAEHO OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713790 462311936 /nfs/dbraw/zinc/31/19/36/462311936.db2.gz DOTGESZRRRAQPY-HOCLYGCPSA-N 1 3 340.870 3.293 10 0 EGAEHO C[N@@H+]1CCN(CCN[C@H]2CCc3ccc(F)c(Cl)c32)CC1(C)C ZINC000651794262 462337040 /nfs/dbraw/zinc/33/70/40/462337040.db2.gz NVXIOLYBTNUIDU-HNNXBMFYSA-N 1 3 339.886 3.082 10 0 EGAEHO C[N@H+]1CCN(CCN[C@H]2CCc3ccc(F)c(Cl)c32)CC1(C)C ZINC000651794262 462337045 /nfs/dbraw/zinc/33/70/45/462337045.db2.gz NVXIOLYBTNUIDU-HNNXBMFYSA-N 1 3 339.886 3.082 10 0 EGAEHO CC(C)CN(C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000651864754 462360810 /nfs/dbraw/zinc/36/08/10/462360810.db2.gz CSGGFHMYGIHCJU-UHFFFAOYSA-N 1 3 343.515 3.387 10 0 EGAEHO CC(C)C[N@H+](C)CCCNC1CCC2(CC1)c1ccccc1NC2=O ZINC000651864754 462360816 /nfs/dbraw/zinc/36/08/16/462360816.db2.gz CSGGFHMYGIHCJU-UHFFFAOYSA-N 1 3 343.515 3.387 10 0 EGAEHO CC(C)C[N@@H+](C)CCCNC1CCC2(CC1)c1ccccc1NC2=O ZINC000651864754 462360818 /nfs/dbraw/zinc/36/08/18/462360818.db2.gz CSGGFHMYGIHCJU-UHFFFAOYSA-N 1 3 343.515 3.387 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000658057165 462361238 /nfs/dbraw/zinc/36/12/38/462361238.db2.gz NODVTNJUFBGGDQ-AEFFLSMTSA-N 1 3 333.520 3.150 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1ccc(F)cc1Br ZINC000665282484 462382869 /nfs/dbraw/zinc/38/28/69/462382869.db2.gz ZCQFKENHUDPRHI-IAQYHMDHSA-N 1 3 331.273 3.482 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137315 462400216 /nfs/dbraw/zinc/40/02/16/462400216.db2.gz KJGJYFINLOMJSF-NHCUHLMSSA-N 1 3 328.500 3.312 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)COCC2CC2)CC1 ZINC000651984273 462401821 /nfs/dbraw/zinc/40/18/21/462401821.db2.gz YOSGCOUHIMIWRY-ZWKOTPCHSA-N 1 3 330.516 3.487 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142710 462405752 /nfs/dbraw/zinc/40/57/52/462405752.db2.gz WDVLGFTYMHKIHZ-FPOVZHCZSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142710 462405757 /nfs/dbraw/zinc/40/57/57/462405757.db2.gz WDVLGFTYMHKIHZ-FPOVZHCZSA-N 1 3 340.442 3.169 10 0 EGAEHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658143572 462406586 /nfs/dbraw/zinc/40/65/86/462406586.db2.gz ZJAFCAXQTPSITJ-BUVFEPMLSA-N 1 3 336.479 3.276 10 0 EGAEHO CCN1C[C@@H](CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000652017092 462407229 /nfs/dbraw/zinc/40/72/29/462407229.db2.gz OEBBTNPVPOFRCM-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1C[C@@H](C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000652017092 462407234 /nfs/dbraw/zinc/40/72/34/462407234.db2.gz OEBBTNPVPOFRCM-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658143576 462407502 /nfs/dbraw/zinc/40/75/02/462407502.db2.gz ZJAFCAXQTPSITJ-QGCDCVKKSA-N 1 3 336.479 3.276 10 0 EGAEHO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000652246063 462488359 /nfs/dbraw/zinc/48/83/59/462488359.db2.gz KEWKLUZPALVDOP-KKSFZXQISA-N 1 3 346.515 3.483 10 0 EGAEHO Cc1ccc(C2([NH2+]CCCN3CCN(C(C)C)CC3)CCC2)cc1 ZINC000646130855 462522518 /nfs/dbraw/zinc/52/25/18/462522518.db2.gz NEYLTLLJOKLBOJ-UHFFFAOYSA-N 1 3 329.532 3.380 10 0 EGAEHO CCCCC[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662155280 462532251 /nfs/dbraw/zinc/53/22/51/462532251.db2.gz LKQZZSNQQIFJRL-LJQANCHMSA-N 1 3 337.552 3.410 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000265993634 535598790 /nfs/dbraw/zinc/59/87/90/535598790.db2.gz NCNAPAWLRYJWQP-QFBILLFUSA-N 1 3 331.504 3.083 10 0 EGAEHO CCC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccnc1 ZINC000185573261 535702245 /nfs/dbraw/zinc/70/22/45/535702245.db2.gz WCWPWMZJHDQQEN-FQEVSTJZSA-N 1 3 344.547 3.463 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439799 536897509 /nfs/dbraw/zinc/89/75/09/536897509.db2.gz IXCXNFHJWRFDMM-KFWWJZLASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439799 536897512 /nfs/dbraw/zinc/89/75/12/536897512.db2.gz IXCXNFHJWRFDMM-KFWWJZLASA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439799 536897514 /nfs/dbraw/zinc/89/75/14/536897514.db2.gz IXCXNFHJWRFDMM-KFWWJZLASA-N 1 3 340.414 3.259 10 0 EGAEHO CN1CCC(C[NH2+][C@@H]2CCc3ccc(F)cc32)(N2CCCCC2)CC1 ZINC000175016101 547009411 /nfs/dbraw/zinc/00/94/11/547009411.db2.gz COPGNCRCUAIJMP-HXUWFJFHSA-N 1 3 345.506 3.353 10 0 EGAEHO CC(C)[NH+]1CCC(N2CCN([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000682075414 550068945 /nfs/dbraw/zinc/06/89/45/550068945.db2.gz GYTYZSWXBVWDHD-OAQYLSRUSA-N 1 3 327.516 3.164 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409239 550326225 /nfs/dbraw/zinc/32/62/25/550326225.db2.gz LRXYGJMZJLOPQL-NHCUHLMSSA-N 1 3 335.495 3.377 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409239 550326227 /nfs/dbraw/zinc/32/62/27/550326227.db2.gz LRXYGJMZJLOPQL-NHCUHLMSSA-N 1 3 335.495 3.377 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000683721022 576190803 /nfs/dbraw/zinc/19/08/03/576190803.db2.gz NYBZQLBZAGERNP-OAHLLOKOSA-N 1 3 330.394 3.401 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC000388476684 1297602208 /nfs/dbraw/zinc/60/22/08/1297602208.db2.gz RZHWVULMNLNGNE-ZFWWWQNUSA-N 1 3 325.294 3.441 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC000388476684 1297602217 /nfs/dbraw/zinc/60/22/17/1297602217.db2.gz RZHWVULMNLNGNE-ZFWWWQNUSA-N 1 3 325.294 3.441 10 0 EGAEHO CCN1CCN(c2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858385536 1328750273 /nfs/dbraw/zinc/75/02/73/1328750273.db2.gz BXGTUZYSSQRLCF-SFHVURJKSA-N 1 3 330.520 3.113 10 0 EGAEHO CCN1CCN(c2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858385536 1328750276 /nfs/dbraw/zinc/75/02/76/1328750276.db2.gz BXGTUZYSSQRLCF-SFHVURJKSA-N 1 3 330.520 3.113 10 0 EGAEHO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921535710 1322343104 /nfs/dbraw/zinc/34/31/04/1322343104.db2.gz LDYRGJPASFIOJO-INIZCTEOSA-N 1 3 325.456 3.309 10 0 EGAEHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cc[nH]c(=O)c2)C1 ZINC000921535710 1322343108 /nfs/dbraw/zinc/34/31/08/1322343108.db2.gz LDYRGJPASFIOJO-INIZCTEOSA-N 1 3 325.456 3.309 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552325 1322775584 /nfs/dbraw/zinc/77/55/84/1322775584.db2.gz VVPPVQYQYSRWJS-DOTOQJQBSA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552325 1322775589 /nfs/dbraw/zinc/77/55/89/1322775589.db2.gz VVPPVQYQYSRWJS-DOTOQJQBSA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552325 1322775595 /nfs/dbraw/zinc/77/55/95/1322775595.db2.gz VVPPVQYQYSRWJS-DOTOQJQBSA-N 1 3 345.512 3.067 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924663063 1323101233 /nfs/dbraw/zinc/10/12/33/1323101233.db2.gz UJCNNZBGXHSXSY-ZDUSSCGKSA-N 1 3 349.466 3.445 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924940202 1323222560 /nfs/dbraw/zinc/22/25/60/1323222560.db2.gz ZQKMRKFBLNROCI-DENIHFKCSA-N 1 3 342.527 3.346 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(C2CCC2)c1 ZINC000925440383 1325150201 /nfs/dbraw/zinc/15/02/01/1325150201.db2.gz RDYUTCDWZXAFBT-ZACQAIPSSA-N 1 3 334.508 3.148 10 0 EGAEHO c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925536083 1325195895 /nfs/dbraw/zinc/19/58/95/1325195895.db2.gz MWUZLJGHLNVWRU-LEWJYISDSA-N 1 3 338.499 3.173 10 0 EGAEHO Cc1ccccc1C1(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCOCC1 ZINC000925558157 1325208263 /nfs/dbraw/zinc/20/82/63/1325208263.db2.gz NVGKNQHTMSHRFA-YZGWKJHDSA-N 1 3 342.527 3.409 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000925561742 1325210826 /nfs/dbraw/zinc/21/08/26/1325210826.db2.gz DNYGTSRCCJFGDT-OAOYMFHYSA-N 1 3 331.479 3.018 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925600377 1325228231 /nfs/dbraw/zinc/22/82/31/1325228231.db2.gz VNUSWSZIAFWBPB-HZPDHXFCSA-N 1 3 333.545 3.322 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925600377 1325228236 /nfs/dbraw/zinc/22/82/36/1325228236.db2.gz VNUSWSZIAFWBPB-HZPDHXFCSA-N 1 3 333.545 3.322 10 0 EGAEHO CC(C)(CO)[C@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1 ZINC000925607428 1325230343 /nfs/dbraw/zinc/23/03/43/1325230343.db2.gz PUYIIAJECLLXPP-AKHDSKFASA-N 1 3 330.516 3.155 10 0 EGAEHO CC(C)(CO)[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607428 1325230352 /nfs/dbraw/zinc/23/03/52/1325230352.db2.gz PUYIIAJECLLXPP-AKHDSKFASA-N 1 3 330.516 3.155 10 0 EGAEHO Fc1ccc(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1F ZINC000925638242 1325241914 /nfs/dbraw/zinc/24/19/14/1325241914.db2.gz YXYZEHSCSBNBGY-ZBFHGGJFSA-N 1 3 326.406 3.404 10 0 EGAEHO Fc1ccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c(F)c1F ZINC000925638242 1325241921 /nfs/dbraw/zinc/24/19/21/1325241921.db2.gz YXYZEHSCSBNBGY-ZBFHGGJFSA-N 1 3 326.406 3.404 10 0 EGAEHO CC1(C)C[C@@H](NCc2cccc(COC[C@H]3CCCO3)c2)C[C@@H]([NH3+])C1 ZINC000925717838 1325268985 /nfs/dbraw/zinc/26/89/85/1325268985.db2.gz VELRARZTEQUYJP-HSALFYBXSA-N 1 3 346.515 3.378 10 0 EGAEHO Cc1nccn1-c1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774942 1325295314 /nfs/dbraw/zinc/29/53/14/1325295314.db2.gz APADKILXBXMRIZ-CJNGLKHVSA-N 1 3 334.414 3.076 10 0 EGAEHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925774942 1325295322 /nfs/dbraw/zinc/29/53/22/1325295322.db2.gz APADKILXBXMRIZ-CJNGLKHVSA-N 1 3 334.414 3.076 10 0 EGAEHO FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)O1 ZINC000925828941 1325319284 /nfs/dbraw/zinc/31/92/84/1325319284.db2.gz KMMYLGVETRJKNI-WCVJEAGWSA-N 1 3 334.426 3.244 10 0 EGAEHO CCc1ccccc1NC(=O)C[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839268 1325322025 /nfs/dbraw/zinc/32/20/25/1325322025.db2.gz BDQYFCWLLNBLTG-XFQXTVEOSA-N 1 3 329.488 3.088 10 0 EGAEHO Cn1nc(C(F)(F)F)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925836311 1325322761 /nfs/dbraw/zinc/32/27/61/1325322761.db2.gz ZDJSWETWVDFUHQ-AWEZNQCLSA-N 1 3 326.366 3.009 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCN(CC3CC3)C2)n(C)n1 ZINC000926737318 1327693207 /nfs/dbraw/zinc/69/32/07/1327693207.db2.gz FMKUSCAYCPHWOD-IRFCIJBXSA-N 1 3 344.547 3.151 10 0 EGAEHO Cn1ncc2cc(CNC[C@]3(C)CCC[N@@H+]3Cc3ccccc3)cnc21 ZINC000865533367 1329710338 /nfs/dbraw/zinc/71/03/38/1329710338.db2.gz GQDAEOYUTNGKIL-NRFANRHFSA-N 1 3 349.482 3.113 10 0 EGAEHO Cn1ncc2cc(CNC[C@]3(C)CCC[N@H+]3Cc3ccccc3)cnc21 ZINC000865533367 1329710339 /nfs/dbraw/zinc/71/03/39/1329710339.db2.gz GQDAEOYUTNGKIL-NRFANRHFSA-N 1 3 349.482 3.113 10 0 EGAEHO Cn1c2ccccc2nc1CNCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773677 1329736807 /nfs/dbraw/zinc/73/68/07/1329736807.db2.gz HKOKWABJJCXKAA-UHFFFAOYSA-N 1 3 348.494 3.327 10 0 EGAEHO C[NH+]1CCC(CNCc2cn3ccccc3n2)(c2ccccc2)CC1 ZINC000865774036 1329737010 /nfs/dbraw/zinc/73/70/10/1329737010.db2.gz NSWWCPCZGSSYSN-UHFFFAOYSA-N 1 3 334.467 3.088 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)ccn1 ZINC000866388130 1330105359 /nfs/dbraw/zinc/10/53/59/1330105359.db2.gz BVBUJKFUWFTUCA-LEWJYISDSA-N 1 3 343.515 3.231 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001323170618 1387306301 /nfs/dbraw/zinc/30/63/01/1387306301.db2.gz RWQFYAUTHAKFNL-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001323358265 1387350656 /nfs/dbraw/zinc/35/06/56/1387350656.db2.gz RWKBVDAYHMYIAJ-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358265 1387350660 /nfs/dbraw/zinc/35/06/60/1387350660.db2.gz RWKBVDAYHMYIAJ-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358265 1387350665 /nfs/dbraw/zinc/35/06/65/1387350665.db2.gz RWKBVDAYHMYIAJ-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001324466178 1387631843 /nfs/dbraw/zinc/63/18/43/1387631843.db2.gz CSNZIUMBIZNJQL-RBUKOAKNSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647782 1387717300 /nfs/dbraw/zinc/71/73/00/1387717300.db2.gz QNVGYARTQQKWNV-ICSRJNTNSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647782 1387717302 /nfs/dbraw/zinc/71/73/02/1387717302.db2.gz QNVGYARTQQKWNV-ICSRJNTNSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001324742826 1387758975 /nfs/dbraw/zinc/75/89/75/1387758975.db2.gz TVJWZINXYWTIIS-OAQYLSRUSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)N(C)C ZINC001326525478 1388229351 /nfs/dbraw/zinc/22/93/51/1388229351.db2.gz OHKXMHXWOMSXAN-GUDVDZBRSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116902 1377194402 /nfs/dbraw/zinc/19/44/02/1377194402.db2.gz OJFLTXJOCKZVLV-BGGMYYEUSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116902 1377194403 /nfs/dbraw/zinc/19/44/03/1377194403.db2.gz OJFLTXJOCKZVLV-BGGMYYEUSA-N 1 3 337.552 3.242 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001266247625 1377245433 /nfs/dbraw/zinc/24/54/33/1377245433.db2.gz QJZYQTOWLIGRFF-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001266247625 1377245435 /nfs/dbraw/zinc/24/54/35/1377245435.db2.gz QJZYQTOWLIGRFF-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C[C@H](C)CC(C)C)CC1 ZINC001327299103 1388488859 /nfs/dbraw/zinc/48/88/59/1388488859.db2.gz KRSVVOFWTUKTQV-RLLQIKCJSA-N 1 3 349.563 3.218 10 0 EGAEHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C[C@H](C)CC(C)C)CC1 ZINC001327299103 1388488863 /nfs/dbraw/zinc/48/88/63/1388488863.db2.gz KRSVVOFWTUKTQV-RLLQIKCJSA-N 1 3 349.563 3.218 10 0 EGAEHO CC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001266501854 1377323140 /nfs/dbraw/zinc/32/31/40/1377323140.db2.gz MJFVHVXLXSPQRH-IGVYDEPUSA-N 1 3 347.547 3.284 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@H]2CCCNC(=O)CN(C)C(C)C)cc1 ZINC001267180862 1377427024 /nfs/dbraw/zinc/42/70/24/1377427024.db2.gz DAWRDBAKKGOMJY-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@H]2CCCNC(=O)CN(C)C(C)C)cc1 ZINC001267180862 1377427027 /nfs/dbraw/zinc/42/70/27/1377427027.db2.gz DAWRDBAKKGOMJY-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001277496497 1378227983 /nfs/dbraw/zinc/22/79/83/1378227983.db2.gz YEQRPQFXIXOIIS-SFHVURJKSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)CC(C)(C)C ZINC001277764519 1378248297 /nfs/dbraw/zinc/24/82/97/1378248297.db2.gz VQQJFSHFKXAHHC-IAGOWNOFSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]C(C)C)c1ccc2ccccc2c1)N(C)C ZINC001278205539 1378262605 /nfs/dbraw/zinc/26/26/05/1378262605.db2.gz AMCPQUWTBBNJPQ-VQTJNVASSA-N 1 3 341.499 3.335 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(C)(C)C ZINC001278979362 1378294505 /nfs/dbraw/zinc/29/45/05/1378294505.db2.gz ZALHALICOVGUAN-ZWKOTPCHSA-N 1 3 339.568 3.273 10 0 EGAEHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001280262909 1378337785 /nfs/dbraw/zinc/33/77/85/1378337785.db2.gz AJMXQHNJCVDNIH-VQTJNVASSA-N 1 3 349.563 3.291 10 0 EGAEHO CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001280349940 1378342645 /nfs/dbraw/zinc/34/26/45/1378342645.db2.gz BPKBRYNDVUVNBA-LPHOPBHVSA-N 1 3 331.504 3.236 10 0 EGAEHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C)CC[NH+](C)C)N(C)C)cc1 ZINC001141779303 1378375116 /nfs/dbraw/zinc/37/51/16/1378375116.db2.gz ANVJVQQKRLOQQN-XLIONFOSSA-N 1 3 347.547 3.192 10 0 EGAEHO C[C@@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001283188511 1378756993 /nfs/dbraw/zinc/75/69/93/1378756993.db2.gz IBOWIPSJKPXUSK-OXJNMPFZSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001284309473 1379698236 /nfs/dbraw/zinc/69/82/36/1379698236.db2.gz JKQJXVAOTNJJRO-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCCCN2C)C(C)C)cc1 ZINC001284546477 1379955116 /nfs/dbraw/zinc/95/51/16/1379955116.db2.gz XJJVMGQQJQBZGJ-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1ccc(C[N@H+](C)CCN(C(=O)[C@@H]2CCCCN2C)C(C)C)cc1 ZINC001284546477 1379955120 /nfs/dbraw/zinc/95/51/20/1379955120.db2.gz XJJVMGQQJQBZGJ-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1ccc(C[N@@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)cc1C ZINC001284558208 1379967596 /nfs/dbraw/zinc/96/75/96/1379967596.db2.gz KZYSEKLHGYUIDD-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO Cc1ccc(C[N@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)cc1C ZINC001284558208 1379967599 /nfs/dbraw/zinc/96/75/99/1379967599.db2.gz KZYSEKLHGYUIDD-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001328048771 1388653856 /nfs/dbraw/zinc/65/38/56/1388653856.db2.gz YKURSLPTNXFJTL-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001328288344 1388716844 /nfs/dbraw/zinc/71/68/44/1388716844.db2.gz ZJUMFABUEHMENS-VQIMIIECSA-N 1 3 349.494 3.027 10 0 EGAEHO C[C@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC001290954640 1382117156 /nfs/dbraw/zinc/11/71/56/1382117156.db2.gz QLAVHSZYKIJNGI-HZPDHXFCSA-N 1 3 342.487 3.284 10 0 EGAEHO C[C@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC001290954640 1382117161 /nfs/dbraw/zinc/11/71/61/1382117161.db2.gz QLAVHSZYKIJNGI-HZPDHXFCSA-N 1 3 342.487 3.284 10 0 EGAEHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001316610101 1384480052 /nfs/dbraw/zinc/48/00/52/1384480052.db2.gz HCEYRCVSUGTLOG-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001316870431 1384655344 /nfs/dbraw/zinc/65/53/44/1384655344.db2.gz OOGBEWPQZBJGQA-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001316870431 1384655346 /nfs/dbraw/zinc/65/53/46/1384655346.db2.gz OOGBEWPQZBJGQA-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317138881 1384904197 /nfs/dbraw/zinc/90/41/97/1384904197.db2.gz WJBPLRJYJZMXKS-IBGZPJMESA-N 1 3 345.531 3.380 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317138881 1384904198 /nfs/dbraw/zinc/90/41/98/1384904198.db2.gz WJBPLRJYJZMXKS-IBGZPJMESA-N 1 3 345.531 3.380 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001317140609 1384908275 /nfs/dbraw/zinc/90/82/75/1384908275.db2.gz RFSIJKBHSQFZDQ-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001317140609 1384908278 /nfs/dbraw/zinc/90/82/78/1384908278.db2.gz RFSIJKBHSQFZDQ-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246627 1385019886 /nfs/dbraw/zinc/01/98/86/1385019886.db2.gz VXAJBNGHFWORDG-QUCCMNQESA-N 1 3 345.531 3.081 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001317271064 1385041536 /nfs/dbraw/zinc/04/15/36/1385041536.db2.gz KMJBHJHNTXWIOC-QOLSVTOYSA-N 1 3 343.515 3.059 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317345475 1385096029 /nfs/dbraw/zinc/09/60/29/1385096029.db2.gz AUCYRFXTLHKUBM-UEKDZROGSA-N 1 3 343.515 3.156 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317350197 1385099843 /nfs/dbraw/zinc/09/98/43/1385099843.db2.gz KCJUAMBXKHDUPT-ZWKOTPCHSA-N 1 3 335.536 3.234 10 0 EGAEHO CCCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766803 1385456081 /nfs/dbraw/zinc/45/60/81/1385456081.db2.gz ISHJBRSQVYYPRW-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317766803 1385456083 /nfs/dbraw/zinc/45/60/83/1385456083.db2.gz ISHJBRSQVYYPRW-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001318406537 1385676264 /nfs/dbraw/zinc/67/62/64/1385676264.db2.gz IKDOETTWXXTVOQ-YZPMEYCISA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001318406537 1385676275 /nfs/dbraw/zinc/67/62/75/1385676275.db2.gz IKDOETTWXXTVOQ-YZPMEYCISA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581607 1385769260 /nfs/dbraw/zinc/76/92/60/1385769260.db2.gz KRCMMJMLTWAFOU-IEBWSBKVSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001318670164 1385827734 /nfs/dbraw/zinc/82/77/34/1385827734.db2.gz HSTXOFIDIKYPOX-HDICACEKSA-N 1 3 347.547 3.378 10 0 EGAEHO CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001318938061 1385888324 /nfs/dbraw/zinc/88/83/24/1385888324.db2.gz RRXNDUJKJNSBRB-RRFGBZISSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCC1 ZINC001698635695 1406280773 /nfs/dbraw/zinc/28/07/73/1406280773.db2.gz CBFDFHODVUNYJC-QZTJIDSGSA-N 1 3 349.563 3.458 10 0 EGAEHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001319688237 1386252790 /nfs/dbraw/zinc/25/27/90/1386252790.db2.gz ATEVHBVPMZYSIF-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001319868573 1386346728 /nfs/dbraw/zinc/34/67/28/1386346728.db2.gz LPHSCHOMBLQPGW-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC[N@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001319888346 1386363710 /nfs/dbraw/zinc/36/37/10/1386363710.db2.gz OMUKYYIUOLYCRY-HXUWFJFHSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC[N@@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001319888346 1386363714 /nfs/dbraw/zinc/36/37/14/1386363714.db2.gz OMUKYYIUOLYCRY-HXUWFJFHSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1)CC(C)(C)C ZINC001321252099 1386857210 /nfs/dbraw/zinc/85/72/10/1386857210.db2.gz UICAEKFZWIPLBT-WAYWQWQTSA-N 1 3 349.563 3.197 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001698693495 1406337821 /nfs/dbraw/zinc/33/78/21/1406337821.db2.gz AKJTVXYZTOKCFZ-MSOLQXFVSA-N 1 3 339.568 3.229 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177720 1387089456 /nfs/dbraw/zinc/08/94/56/1387089456.db2.gz VOJTWHYFWSHLPD-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177720 1387089462 /nfs/dbraw/zinc/08/94/62/1387089462.db2.gz VOJTWHYFWSHLPD-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001698707001 1406348816 /nfs/dbraw/zinc/34/88/16/1406348816.db2.gz GSGFEENEZYCFTD-UWCDRFHNSA-N 1 3 335.536 3.233 10 0 EGAEHO CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC001322852608 1387246936 /nfs/dbraw/zinc/24/69/36/1387246936.db2.gz SGGSPNPPWQDKLI-WOJBJXKFSA-N 1 3 345.531 3.450 10 0 EGAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001330176523 1389328529 /nfs/dbraw/zinc/32/85/29/1389328529.db2.gz ZDKHATVJNPSMAS-ZMWHVPEISA-N 1 3 327.516 3.112 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001331559030 1389798338 /nfs/dbraw/zinc/79/83/38/1389798338.db2.gz CTWRDVHSIRLTQV-QFBILLFUSA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001332158098 1390011798 /nfs/dbraw/zinc/01/17/98/1390011798.db2.gz KDLQQFLVDROJGZ-UFYCRDLUSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001332162825 1390014513 /nfs/dbraw/zinc/01/45/13/1390014513.db2.gz XTDRWMMVBSHSHL-FBYXPACISA-N 1 3 349.563 3.290 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](Cc3ccccc3CF)CC2)CC1 ZINC001332886245 1390209259 /nfs/dbraw/zinc/20/92/59/1390209259.db2.gz PAYOAXVDVDTWKK-UHFFFAOYSA-N 1 3 333.495 3.006 10 0 EGAEHO Cc1ccccc1C[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001332972684 1390227158 /nfs/dbraw/zinc/22/71/58/1390227158.db2.gz QDJYUFOUZXEMIX-GOSISDBHSA-N 1 3 345.531 3.052 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049936 1390467237 /nfs/dbraw/zinc/46/72/37/1390467237.db2.gz VKTPEDJBCZEFNP-GQIGUUNPSA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)O2 ZINC001334049936 1390467240 /nfs/dbraw/zinc/46/72/40/1390467240.db2.gz VKTPEDJBCZEFNP-GQIGUUNPSA-N 1 3 344.499 3.241 10 0 EGAEHO COc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C3CCC3)C1)O2 ZINC001334049936 1390467241 /nfs/dbraw/zinc/46/72/41/1390467241.db2.gz VKTPEDJBCZEFNP-GQIGUUNPSA-N 1 3 344.499 3.241 10 0 EGAEHO C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001698829039 1406522204 /nfs/dbraw/zinc/52/22/04/1406522204.db2.gz RCQQKNQHMGKKRY-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001479694729 1392325490 /nfs/dbraw/zinc/32/54/90/1392325490.db2.gz RSVWMWKSIJROFE-LJQANCHMSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829695 1392416570 /nfs/dbraw/zinc/41/65/70/1392416570.db2.gz CPQIZUVCHIYRRP-MJGOQNOKSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479831482 1392418021 /nfs/dbraw/zinc/41/80/21/1392418021.db2.gz NEVDDAAEKPTNIH-MSOLQXFVSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC(C)CC1)CC2 ZINC001479988467 1392519978 /nfs/dbraw/zinc/51/99/78/1392519978.db2.gz PZBGQNNXAGPWMJ-CTWPCTMYSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1)N(C)C ZINC001480261771 1392646171 /nfs/dbraw/zinc/64/61/71/1392646171.db2.gz CORIVACYZNNEAQ-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1)N(C)C ZINC001480261771 1392646172 /nfs/dbraw/zinc/64/61/72/1392646172.db2.gz CORIVACYZNNEAQ-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001480295305 1392663683 /nfs/dbraw/zinc/66/36/83/1392663683.db2.gz ZQQXSTPXDPKDMM-QZTJIDSGSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001698874810 1406598370 /nfs/dbraw/zinc/59/83/70/1406598370.db2.gz WPEVGBLLIPSZPY-APWZRJJASA-N 1 3 343.531 3.120 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001481367606 1394207083 /nfs/dbraw/zinc/20/70/83/1394207083.db2.gz WPRJHIINZNIUBY-WOJBJXKFSA-N 1 3 343.515 3.274 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCC=C(C)C)c1ccccc1 ZINC001481367606 1394207085 /nfs/dbraw/zinc/20/70/85/1394207085.db2.gz WPRJHIINZNIUBY-WOJBJXKFSA-N 1 3 343.515 3.274 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001481981731 1394643110 /nfs/dbraw/zinc/64/31/10/1394643110.db2.gz WQDIJNVDTVLDFK-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161504 1395296366 /nfs/dbraw/zinc/29/63/66/1395296366.db2.gz WTHJDAYIGCAJGH-DUIUGDAFSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484161504 1395296367 /nfs/dbraw/zinc/29/63/67/1395296367.db2.gz WTHJDAYIGCAJGH-DUIUGDAFSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001485155779 1395672204 /nfs/dbraw/zinc/67/22/04/1395672204.db2.gz LFYFHFYPGBTSTP-HOTGVXAUSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC1CCCC1 ZINC001485230101 1395724317 /nfs/dbraw/zinc/72/43/17/1395724317.db2.gz PXBPOKZOUIOGCV-JKSUJKDBSA-N 1 3 331.504 3.035 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC1CCCCC1 ZINC001485427199 1395893095 /nfs/dbraw/zinc/89/30/95/1395893095.db2.gz ADEHBJJNQRVXJT-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959826 1421731397 /nfs/dbraw/zinc/73/13/97/1421731397.db2.gz INGHBJJUMPQCFG-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]CC1=CCCCC1 ZINC001495751565 1396556044 /nfs/dbraw/zinc/55/60/44/1396556044.db2.gz CXELRKAREUHMIZ-ZWKOTPCHSA-N 1 3 335.536 3.093 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001495817291 1396563792 /nfs/dbraw/zinc/56/37/92/1396563792.db2.gz YBTNLTWYKALCFH-HUUCEWRRSA-N 1 3 339.911 3.083 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180357 1396620349 /nfs/dbraw/zinc/62/03/49/1396620349.db2.gz YQGPSGJNMAPIPX-IEBWSBKVSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)CCC1CCCCCC1 ZINC001699011348 1406842433 /nfs/dbraw/zinc/84/24/33/1406842433.db2.gz WLWBZAXCQXADEB-UHFFFAOYSA-N 1 3 325.541 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)CCC1CCCCCC1 ZINC001699011348 1406842439 /nfs/dbraw/zinc/84/24/39/1406842439.db2.gz WLWBZAXCQXADEB-UHFFFAOYSA-N 1 3 325.541 3.077 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001498483473 1397028898 /nfs/dbraw/zinc/02/88/98/1397028898.db2.gz DOAYSBVXCZLTIM-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001498483470 1397029042 /nfs/dbraw/zinc/02/90/42/1397029042.db2.gz DOAYSBVXCZLTIM-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H](F)CN1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365349 1403705249 /nfs/dbraw/zinc/70/52/49/1403705249.db2.gz DJWSSNISXSUQPT-IRXDYDNUSA-N 1 3 343.531 3.073 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCC(C)CC1 ZINC001689891299 1404187926 /nfs/dbraw/zinc/18/79/26/1404187926.db2.gz WKYRGAIJWVMBBK-ACBHZAAOSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC(C)CC1 ZINC001689891299 1404187929 /nfs/dbraw/zinc/18/79/29/1404187929.db2.gz WKYRGAIJWVMBBK-ACBHZAAOSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)Cc1cccc(C)c1 ZINC001689970690 1404235101 /nfs/dbraw/zinc/23/51/01/1404235101.db2.gz YDOQOUYFCGJHMQ-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)Cc1cccc(C)c1 ZINC001689970690 1404235108 /nfs/dbraw/zinc/23/51/08/1404235108.db2.gz YDOQOUYFCGJHMQ-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123094 1404317387 /nfs/dbraw/zinc/31/73/87/1404317387.db2.gz IPEXCDCVOLQSMC-RTBURBONSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]([NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001690162903 1404360880 /nfs/dbraw/zinc/36/08/80/1404360880.db2.gz RELVSILRTHEDGL-APWZRJJASA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001690394347 1404536957 /nfs/dbraw/zinc/53/69/57/1404536957.db2.gz XVSVEWOFWUMRDH-IBGZPJMESA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001690394347 1404536960 /nfs/dbraw/zinc/53/69/60/1404536960.db2.gz XVSVEWOFWUMRDH-IBGZPJMESA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001690450193 1404574941 /nfs/dbraw/zinc/57/49/41/1404574941.db2.gz BTPYIOCRGOEXBW-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499504 1404611692 /nfs/dbraw/zinc/61/16/92/1404611692.db2.gz WGQOVFFGMBPRNY-FUHWJXTLSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001690499504 1404611693 /nfs/dbraw/zinc/61/16/93/1404611693.db2.gz WGQOVFFGMBPRNY-FUHWJXTLSA-N 1 3 349.563 3.124 10 0 EGAEHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001690628825 1404663919 /nfs/dbraw/zinc/66/39/19/1404663919.db2.gz WDHFWJXOJUBGPC-QZTJIDSGSA-N 1 3 345.531 3.108 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097445 1405034218 /nfs/dbraw/zinc/03/42/18/1405034218.db2.gz LUJRSJBNKUJAJK-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097445 1405034222 /nfs/dbraw/zinc/03/42/22/1405034222.db2.gz LUJRSJBNKUJAJK-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773450 1405484904 /nfs/dbraw/zinc/48/49/04/1405484904.db2.gz YNTBLWNNBSZXAP-FXAWDEMLSA-N 1 3 345.531 3.309 10 0 EGAEHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001691917622 1405646757 /nfs/dbraw/zinc/64/67/57/1405646757.db2.gz KINRTRFYEBVYRF-DLBZAZTESA-N 1 3 339.568 3.275 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999656 1405716293 /nfs/dbraw/zinc/71/62/93/1405716293.db2.gz VIADXIJVCPLAAY-RTBURBONSA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999656 1405716298 /nfs/dbraw/zinc/71/62/98/1405716298.db2.gz VIADXIJVCPLAAY-RTBURBONSA-N 1 3 345.531 3.177 10 0 EGAEHO CC1CCC(C[NH+]2CC(CNC(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001692308228 1405928299 /nfs/dbraw/zinc/92/82/99/1405928299.db2.gz QUAHGAFNTGHYDT-UHFFFAOYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001692335961 1405956715 /nfs/dbraw/zinc/95/67/15/1405956715.db2.gz BZNAOUSXBYYZNP-IBGZPJMESA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001732021089 1428238445 /nfs/dbraw/zinc/23/84/45/1428238445.db2.gz AYGHVTCVWNSWNP-HKUYNNGSSA-N 1 3 345.531 3.354 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001732053360 1428294666 /nfs/dbraw/zinc/29/46/66/1428294666.db2.gz GARYNLYDMNGFRS-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001732053360 1428294668 /nfs/dbraw/zinc/29/46/68/1428294668.db2.gz GARYNLYDMNGFRS-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001732053354 1428295290 /nfs/dbraw/zinc/29/52/90/1428295290.db2.gz GARYNLYDMNGFRS-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001732053354 1428295293 /nfs/dbraw/zinc/29/52/93/1428295293.db2.gz GARYNLYDMNGFRS-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCC[NH2+]CC1(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001732235968 1428482131 /nfs/dbraw/zinc/48/21/31/1428482131.db2.gz LDESDGDSXIBOOS-LJQANCHMSA-N 1 3 341.515 3.018 10 0 EGAEHO CC/C=C/CC[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001732294147 1428517510 /nfs/dbraw/zinc/51/75/10/1428517510.db2.gz IZOWOFXQKYNXQT-AATRIKPKSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1=CCCCC1 ZINC001732372009 1428553090 /nfs/dbraw/zinc/55/30/90/1428553090.db2.gz KRLSAPCLWNSARN-KRWDZBQOSA-N 1 3 343.515 3.204 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732392629 1428561548 /nfs/dbraw/zinc/56/15/48/1428561548.db2.gz NHSNAPDHXLVDNX-LJQANCHMSA-N 1 3 349.563 3.458 10 0 EGAEHO CCc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001732400607 1428566613 /nfs/dbraw/zinc/56/66/13/1428566613.db2.gz VHJSXCHLJQSYER-UHFFFAOYSA-N 1 3 345.531 3.108 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001699697930 1413108486 /nfs/dbraw/zinc/10/84/86/1413108486.db2.gz VRKOMPJODJJKQS-NRFANRHFSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC001699697930 1413108491 /nfs/dbraw/zinc/10/84/91/1413108491.db2.gz VRKOMPJODJJKQS-NRFANRHFSA-N 1 3 347.547 3.143 10 0 EGAEHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805150 1413218223 /nfs/dbraw/zinc/21/82/23/1413218223.db2.gz MTBSMKHXTRAINC-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805150 1413218225 /nfs/dbraw/zinc/21/82/25/1413218225.db2.gz MTBSMKHXTRAINC-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001699875701 1413331776 /nfs/dbraw/zinc/33/17/76/1413331776.db2.gz XDKAXRYWGGVOMO-ICSRJNTNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001699875701 1413331780 /nfs/dbraw/zinc/33/17/80/1413331780.db2.gz XDKAXRYWGGVOMO-ICSRJNTNSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001699877064 1413337391 /nfs/dbraw/zinc/33/73/91/1413337391.db2.gz PKWHCNROGFPQST-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001699877064 1413337394 /nfs/dbraw/zinc/33/73/94/1413337394.db2.gz PKWHCNROGFPQST-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)N1CCCC1 ZINC001699978364 1413422601 /nfs/dbraw/zinc/42/26/01/1413422601.db2.gz ASIOXUCBLTXTHZ-WGSAOQKQSA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001700323661 1413792205 /nfs/dbraw/zinc/79/22/05/1413792205.db2.gz JXOLCAQVEZCGCB-IAGOWNOFSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001700323661 1413792211 /nfs/dbraw/zinc/79/22/11/1413792211.db2.gz JXOLCAQVEZCGCB-IAGOWNOFSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)CCC[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001700434432 1414000280 /nfs/dbraw/zinc/00/02/80/1414000280.db2.gz IIOCRDZGBCRSJF-UHFFFAOYSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](F)C[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCCC1 ZINC001700513876 1414164492 /nfs/dbraw/zinc/16/44/92/1414164492.db2.gz IXHWDUZISOBBGV-MRXNPFEDSA-N 1 3 343.531 3.121 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700521562 1414177265 /nfs/dbraw/zinc/17/72/65/1414177265.db2.gz PPPAVACESSHUOD-HDICACEKSA-N 1 3 349.563 3.458 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001700638020 1414304674 /nfs/dbraw/zinc/30/46/74/1414304674.db2.gz HUOSZFCMBSCKGL-SAABIXHNSA-N 1 3 349.563 3.029 10 0 EGAEHO C[C@@H](CCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001700684852 1414337926 /nfs/dbraw/zinc/33/79/26/1414337926.db2.gz SZQCYVJSLQZMAE-HOTGVXAUSA-N 1 3 349.494 3.246 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688330 1414340871 /nfs/dbraw/zinc/34/08/71/1414340871.db2.gz DLACNKSADAVWGD-IEBWSBKVSA-N 1 3 335.536 3.236 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700780977 1414463127 /nfs/dbraw/zinc/46/31/27/1414463127.db2.gz QJOJZSSYRZZYJT-ORNUUZEQSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)CN1CCC(C)CC1 ZINC001700974904 1414608143 /nfs/dbraw/zinc/60/81/43/1414608143.db2.gz FVTKNBOOFALAFZ-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCCC1)C(=O)CN1CCC(C)CC1 ZINC001700974904 1414608146 /nfs/dbraw/zinc/60/81/46/1414608146.db2.gz FVTKNBOOFALAFZ-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001701007271 1414663628 /nfs/dbraw/zinc/66/36/28/1414663628.db2.gz VHYBPIQEFFYPQI-HMTUNPETSA-N 1 3 349.563 3.291 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001701013055 1414674594 /nfs/dbraw/zinc/67/45/94/1414674594.db2.gz UDZGHCFTDQCENE-HNNXBMFYSA-N 1 3 348.535 3.304 10 0 EGAEHO CC[C@@H](C(=O)NC1(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1)N(C)C ZINC001701029112 1414690286 /nfs/dbraw/zinc/69/02/86/1414690286.db2.gz AFVLILNPLWGZLQ-SFHVURJKSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001707376632 1417301027 /nfs/dbraw/zinc/30/10/27/1417301027.db2.gz CWQQRPXXIDYKCT-APWZRJJASA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@H](C)c1ccccc1F ZINC001707376632 1417301029 /nfs/dbraw/zinc/30/10/29/1417301029.db2.gz CWQQRPXXIDYKCT-APWZRJJASA-N 1 3 349.494 3.198 10 0 EGAEHO C[C@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001733047832 1429181981 /nfs/dbraw/zinc/18/19/81/1429181981.db2.gz GQEKEZGHEBFAPV-LXPRWKDFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](C[N@@H+](C)CC1CCC(C)CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001733047832 1429181982 /nfs/dbraw/zinc/18/19/82/1429181982.db2.gz GQEKEZGHEBFAPV-LXPRWKDFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001713201003 1417771399 /nfs/dbraw/zinc/77/13/99/1417771399.db2.gz GGPDPQFBLPUCAK-JCGIZDLHSA-N 1 3 349.494 3.101 10 0 EGAEHO CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001713253950 1417849634 /nfs/dbraw/zinc/84/96/34/1417849634.db2.gz WNFGTANWUHEUDX-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC001713253950 1417849638 /nfs/dbraw/zinc/84/96/38/1417849638.db2.gz WNFGTANWUHEUDX-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C(C)C)cc1 ZINC001713454103 1418102591 /nfs/dbraw/zinc/10/25/91/1418102591.db2.gz AKWMZRHXXJHCCT-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C(C)C)cc1 ZINC001713454103 1418102593 /nfs/dbraw/zinc/10/25/93/1418102593.db2.gz AKWMZRHXXJHCCT-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713756201 1418560006 /nfs/dbraw/zinc/56/00/06/1418560006.db2.gz PZJPGEYBIQDNOL-SFHVURJKSA-N 1 3 339.568 3.181 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713756201 1418560007 /nfs/dbraw/zinc/56/00/07/1418560007.db2.gz PZJPGEYBIQDNOL-SFHVURJKSA-N 1 3 339.568 3.181 10 0 EGAEHO CCC/C=C/CC[NH+]1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713901478 1418701485 /nfs/dbraw/zinc/70/14/85/1418701485.db2.gz PNNPVYJBQQLDCZ-VOTSOKGWSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001713989381 1418766785 /nfs/dbraw/zinc/76/67/85/1418766785.db2.gz UGNMGWOJJMEWMZ-KDURUIRLSA-N 1 3 343.515 3.031 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001714107559 1418907015 /nfs/dbraw/zinc/90/70/15/1418907015.db2.gz RSVQQCPSIMUUFG-UYAOXDASSA-N 1 3 345.531 3.244 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc2ccccc21 ZINC001714125288 1418929828 /nfs/dbraw/zinc/92/98/28/1418929828.db2.gz SVJVIKOSMAEXKP-IBGZPJMESA-N 1 3 341.499 3.164 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001733198352 1429300903 /nfs/dbraw/zinc/30/09/03/1429300903.db2.gz KJWUNFDOHBUTOD-RBUKOAKNSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1cccc2ccccc21 ZINC001714598581 1419352517 /nfs/dbraw/zinc/35/25/17/1419352517.db2.gz DFCPZBDGTMJLRV-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1cccc2ccccc21 ZINC001714598581 1419352519 /nfs/dbraw/zinc/35/25/19/1419352519.db2.gz DFCPZBDGTMJLRV-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714636465 1419407482 /nfs/dbraw/zinc/40/74/82/1419407482.db2.gz TVXUZUGGLPBMLC-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714636465 1419407486 /nfs/dbraw/zinc/40/74/86/1419407486.db2.gz TVXUZUGGLPBMLC-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001714841069 1419553261 /nfs/dbraw/zinc/55/32/61/1419553261.db2.gz ZAKPJVUPZLHNOZ-IBGZPJMESA-N 1 3 345.531 3.354 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001714884811 1419624500 /nfs/dbraw/zinc/62/45/00/1419624500.db2.gz YHDHNPMKHRRBFV-AZUAARDMSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001714884811 1419624507 /nfs/dbraw/zinc/62/45/07/1419624507.db2.gz YHDHNPMKHRRBFV-AZUAARDMSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)C1 ZINC001715194839 1419926767 /nfs/dbraw/zinc/92/67/67/1419926767.db2.gz DHYJUPHAMITBLS-QGZVFWFLSA-N 1 3 345.531 3.170 10 0 EGAEHO C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001715464251 1420143687 /nfs/dbraw/zinc/14/36/87/1420143687.db2.gz YVTWFLKLQSXUCR-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO CCN(CC[NH2+]CC[C@@H]1CCC[C@H](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001715737843 1420319272 /nfs/dbraw/zinc/31/92/72/1420319272.db2.gz JKYSXGVCGOYEOO-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001715961483 1420427831 /nfs/dbraw/zinc/42/78/31/1420427831.db2.gz DWAZLKYQIXKVKY-OXQOHEQNSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138530 1420538926 /nfs/dbraw/zinc/53/89/26/1420538926.db2.gz HGTLQLLDNPNQBF-HKUYNNGSSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001733265316 1429422809 /nfs/dbraw/zinc/42/28/09/1429422809.db2.gz SAEBYLYWYIOXNR-UHFFFAOYSA-N 1 3 345.531 3.063 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515307 1420744987 /nfs/dbraw/zinc/74/49/87/1420744987.db2.gz IOBXQDWAAYDVSE-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001716520364 1420748874 /nfs/dbraw/zinc/74/88/74/1420748874.db2.gz LCHDGTWJRPPEKS-IAGOWNOFSA-N 1 3 348.535 3.352 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001716632194 1420791016 /nfs/dbraw/zinc/79/10/16/1420791016.db2.gz WMOCRALSBNRVOJ-YLJYHZDGSA-N 1 3 345.531 3.189 10 0 EGAEHO CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001716716027 1420872855 /nfs/dbraw/zinc/87/28/55/1420872855.db2.gz UXFMQWDWUFWPMX-KRWDZBQOSA-N 1 3 349.563 3.220 10 0 EGAEHO CC[C@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001716716027 1420872857 /nfs/dbraw/zinc/87/28/57/1420872857.db2.gz UXFMQWDWUFWPMX-KRWDZBQOSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2 ZINC001716724285 1420881822 /nfs/dbraw/zinc/88/18/22/1420881822.db2.gz YOUXTHGIOCFHGY-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2 ZINC001716724285 1420881825 /nfs/dbraw/zinc/88/18/25/1420881825.db2.gz YOUXTHGIOCFHGY-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001716999388 1421068652 /nfs/dbraw/zinc/06/86/52/1421068652.db2.gz CDHFHFKMSMOVGQ-HLBAPPMRSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001716999388 1421068654 /nfs/dbraw/zinc/06/86/54/1421068654.db2.gz CDHFHFKMSMOVGQ-HLBAPPMRSA-N 1 3 347.547 3.044 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004693 1421073375 /nfs/dbraw/zinc/07/33/75/1421073375.db2.gz XBIZYOACKCNDGZ-BMOGMMAESA-N 1 3 349.563 3.172 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001717242274 1421210730 /nfs/dbraw/zinc/21/07/30/1421210730.db2.gz SEHSKXZCRJXELO-ACBHZAAOSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1ccsc1 ZINC001717339097 1421276778 /nfs/dbraw/zinc/27/67/78/1421276778.db2.gz LSNWWOOPFUAWOL-AEFFLSMTSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001717348675 1421287577 /nfs/dbraw/zinc/28/75/77/1421287577.db2.gz QJIBQXDIBWYZKQ-UHFFFAOYSA-N 1 3 346.519 3.237 10 0 EGAEHO CC(C)=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485635 1421421836 /nfs/dbraw/zinc/42/18/36/1421421836.db2.gz PUIKKXIFBVFOCH-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)=CCN(C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717485635 1421421837 /nfs/dbraw/zinc/42/18/37/1421421837.db2.gz PUIKKXIFBVFOCH-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CCC1CCCC1 ZINC001717491163 1421430235 /nfs/dbraw/zinc/43/02/35/1421430235.db2.gz VJSYZCVYUSCJTN-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CCC1CCCC1 ZINC001717491163 1421430237 /nfs/dbraw/zinc/43/02/37/1421430237.db2.gz VJSYZCVYUSCJTN-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCC1CCCC1 ZINC001717512020 1421448534 /nfs/dbraw/zinc/44/85/34/1421448534.db2.gz PRZHVXCFCKHJIS-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001717670135 1421559139 /nfs/dbraw/zinc/55/91/39/1421559139.db2.gz BNHOBQSIBNNKSA-KRWDZBQOSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccsc1 ZINC001717757819 1421621055 /nfs/dbraw/zinc/62/10/55/1421621055.db2.gz RCMQRAPGJCYRMK-HNNXBMFYSA-N 1 3 345.512 3.060 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001717844938 1421659464 /nfs/dbraw/zinc/65/94/64/1421659464.db2.gz AHRCGYCCYJFWHI-ZCNNSNEGSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717952336 1421723536 /nfs/dbraw/zinc/72/35/36/1421723536.db2.gz TUQGBZUXPFPWCB-MOPGFXCFSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001717952336 1421723537 /nfs/dbraw/zinc/72/35/37/1421723537.db2.gz TUQGBZUXPFPWCB-MOPGFXCFSA-N 1 3 345.531 3.258 10 0 EGAEHO CC[C@@H](C(=O)NCC1=CC[N@@H+]([C@@H](CC)c2ccccc2)CC1)N(C)C ZINC001718028715 1421782122 /nfs/dbraw/zinc/78/21/22/1421782122.db2.gz SUMIQEUMCQQKTJ-PMACEKPBSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[C@@H](C(=O)NCC1=CC[N@H+]([C@@H](CC)c2ccccc2)CC1)N(C)C ZINC001718028715 1421782125 /nfs/dbraw/zinc/78/21/25/1421782125.db2.gz SUMIQEUMCQQKTJ-PMACEKPBSA-N 1 3 343.515 3.226 10 0 EGAEHO C[C@H](c1ccc(F)cc1)N1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459943 1429684012 /nfs/dbraw/zinc/68/40/12/1429684012.db2.gz ARJMENDGFCYIRJ-UZLBHIALSA-N 1 3 349.494 3.057 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCC2CCCCCC2)C1 ZINC001723124128 1424303313 /nfs/dbraw/zinc/30/33/13/1424303313.db2.gz UQEBWSWFHAFJKA-SFHVURJKSA-N 1 3 337.552 3.127 10 0 EGAEHO CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC001723670008 1424524239 /nfs/dbraw/zinc/52/42/39/1424524239.db2.gz ZXYFUKAJWTVZNB-KDURUIRLSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001723906388 1424602567 /nfs/dbraw/zinc/60/25/67/1424602567.db2.gz MTINCYWMXISLQG-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)N1CCCCCC1 ZINC001724097430 1424661022 /nfs/dbraw/zinc/66/10/22/1424661022.db2.gz HDCHMEUOAAESGL-XLIONFOSSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001733538335 1429744819 /nfs/dbraw/zinc/74/48/19/1429744819.db2.gz NIANLRSEIMBTCO-IAGOWNOFSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CCCC2)c1 ZINC001724111051 1424669860 /nfs/dbraw/zinc/66/98/60/1424669860.db2.gz YOUDJXGEWVBLQJ-FQEVSTJZSA-N 1 3 345.531 3.100 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001724261664 1424761669 /nfs/dbraw/zinc/76/16/69/1424761669.db2.gz GXXBMHWGANEDOQ-HXUWFJFHSA-N 1 3 337.552 3.127 10 0 EGAEHO CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564953 1424916724 /nfs/dbraw/zinc/91/67/24/1424916724.db2.gz VTNSLURYGFLPDI-PXNSSMCTSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001724748390 1425117821 /nfs/dbraw/zinc/11/78/21/1425117821.db2.gz IVBDOKBGKBGPGT-ZRNALYAGSA-N 1 3 349.906 3.048 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001724859858 1425241104 /nfs/dbraw/zinc/24/11/04/1425241104.db2.gz JXRGVRYKXLRXGB-SFHVURJKSA-N 1 3 333.520 3.177 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001724859858 1425241107 /nfs/dbraw/zinc/24/11/07/1425241107.db2.gz JXRGVRYKXLRXGB-SFHVURJKSA-N 1 3 333.520 3.177 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1 ZINC001724891146 1425277949 /nfs/dbraw/zinc/27/79/49/1425277949.db2.gz MATRKQOYZFWRCD-SFHVURJKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)N(C)C ZINC001724966657 1425360141 /nfs/dbraw/zinc/36/01/41/1425360141.db2.gz PQHNUVDJWBNGNS-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)CC1(C)C)N(C)C ZINC001724966657 1425360145 /nfs/dbraw/zinc/36/01/45/1425360145.db2.gz PQHNUVDJWBNGNS-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC(C)CC1 ZINC001725054669 1425489160 /nfs/dbraw/zinc/48/91/60/1425489160.db2.gz YMUNUQNWEXAUPI-ACBHZAAOSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC(C)CC1 ZINC001725054669 1425489163 /nfs/dbraw/zinc/48/91/63/1425489163.db2.gz YMUNUQNWEXAUPI-ACBHZAAOSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058398 1425497614 /nfs/dbraw/zinc/49/76/14/1425497614.db2.gz KKGAFVNBSTWPCU-XLIONFOSSA-N 1 3 345.531 3.331 10 0 EGAEHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058398 1425497615 /nfs/dbraw/zinc/49/76/15/1425497615.db2.gz KKGAFVNBSTWPCU-XLIONFOSSA-N 1 3 345.531 3.331 10 0 EGAEHO CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1C(C)C ZINC001725427682 1426091275 /nfs/dbraw/zinc/09/12/75/1426091275.db2.gz MLKHANSIQMMYOH-HXUWFJFHSA-N 1 3 345.531 3.278 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468635 1426137937 /nfs/dbraw/zinc/13/79/37/1426137937.db2.gz LHNHUWJVFPCQSI-QFBILLFUSA-N 1 3 349.494 3.075 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625387 1426292043 /nfs/dbraw/zinc/29/20/43/1426292043.db2.gz COEUINOJJGTWJU-MOPGFXCFSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001731434789 1427415608 /nfs/dbraw/zinc/41/56/08/1427415608.db2.gz BHDUVIILAAMHTI-OXUXSNCKSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001733577912 1429781685 /nfs/dbraw/zinc/78/16/85/1429781685.db2.gz IFAOFZXDYWGIHZ-HCRJECLASA-N 1 3 349.563 3.101 10 0 EGAEHO CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001733577912 1429781686 /nfs/dbraw/zinc/78/16/86/1429781686.db2.gz IFAOFZXDYWGIHZ-HCRJECLASA-N 1 3 349.563 3.101 10 0 EGAEHO CN(C)C1(C(=O)N2CCC(C)([NH2+]CCCC3CCC3)CC2)CCC1 ZINC001733863330 1437691883 /nfs/dbraw/zinc/69/18/83/1437691883.db2.gz KLKRTVVCJCIQDF-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001733911063 1437729278 /nfs/dbraw/zinc/72/92/78/1437729278.db2.gz ITUDXFXIBHVFHF-IBGZPJMESA-N 1 3 349.563 3.366 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001734025387 1437813645 /nfs/dbraw/zinc/81/36/45/1437813645.db2.gz OKAPGJHEXGFSPU-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C ZINC001734033530 1437821071 /nfs/dbraw/zinc/82/10/71/1437821071.db2.gz FFYCRXRZYFOVNY-IAGOWNOFSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001734033530 1437821072 /nfs/dbraw/zinc/82/10/72/1437821072.db2.gz FFYCRXRZYFOVNY-IAGOWNOFSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C ZINC001734033532 1437821247 /nfs/dbraw/zinc/82/12/47/1437821247.db2.gz FFYCRXRZYFOVNY-IRXDYDNUSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001734033532 1437821250 /nfs/dbraw/zinc/82/12/50/1437821250.db2.gz FFYCRXRZYFOVNY-IRXDYDNUSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001734034227 1437822171 /nfs/dbraw/zinc/82/21/71/1437822171.db2.gz ICQCELFABLALJU-MJGOQNOKSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001734034227 1437822172 /nfs/dbraw/zinc/82/21/72/1437822172.db2.gz ICQCELFABLALJU-MJGOQNOKSA-N 1 3 349.563 3.266 10 0 EGAEHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001734123737 1437903700 /nfs/dbraw/zinc/90/37/00/1437903700.db2.gz IDQAORYFQDCEHC-IAGOWNOFSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001734398039 1438081510 /nfs/dbraw/zinc/08/15/10/1438081510.db2.gz DIEMJLGUTPPCCK-SJORKVTESA-N 1 3 339.568 3.370 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC/C=C/c2ccccc2)C[C@H]1C ZINC001734427066 1438092351 /nfs/dbraw/zinc/09/23/51/1438092351.db2.gz OBYVZXVEMOKMST-MRDYICJFSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487905 1438129552 /nfs/dbraw/zinc/12/95/52/1438129552.db2.gz OQLALJKZZMSKQX-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[nH]n1 ZINC000221763136 201031359 /nfs/dbraw/zinc/03/13/59/201031359.db2.gz YWDKSTPIWLATPN-DZLUEKEQSA-N 1 3 338.499 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)n[nH]1 ZINC000221763136 201031362 /nfs/dbraw/zinc/03/13/62/201031362.db2.gz YWDKSTPIWLATPN-DZLUEKEQSA-N 1 3 338.499 3.149 10 0 EGAEHO c1ccc(CC2CC[NH+](CCCCNCc3cncnc3)CC2)cc1 ZINC000109350684 204282095 /nfs/dbraw/zinc/28/20/95/204282095.db2.gz HAUGZLTZXSXVAD-UHFFFAOYSA-N 1 3 338.499 3.301 10 0 EGAEHO Cc1cc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc(C)c1O ZINC000377659774 169056160 /nfs/dbraw/zinc/05/61/60/169056160.db2.gz QAZSXIZNBLWLQD-UHFFFAOYSA-N 1 3 345.531 3.049 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268834786 252283607 /nfs/dbraw/zinc/28/36/07/252283607.db2.gz GIIOCEGBXQBGFG-YLJYHZDGSA-N 1 3 326.488 3.082 10 0 EGAEHO Cc1c([C@@H](C)NCCCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269042613 255519189 /nfs/dbraw/zinc/51/91/89/255519189.db2.gz UIDDSZGCEBAORO-CYBMUJFWSA-N 1 3 335.883 3.222 10 0 EGAEHO C[C@H](NCCOCCOc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923768 141217796 /nfs/dbraw/zinc/21/77/96/141217796.db2.gz DOKPAUVUJPRSRF-RBUKOAKNSA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@H](NCCOCCOc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923768 141217797 /nfs/dbraw/zinc/21/77/97/141217797.db2.gz DOKPAUVUJPRSRF-RBUKOAKNSA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@H]([NH2+]CCOCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347923768 141217798 /nfs/dbraw/zinc/21/77/98/141217798.db2.gz DOKPAUVUJPRSRF-RBUKOAKNSA-N 1 3 346.515 3.325 10 0 EGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000352930441 141271174 /nfs/dbraw/zinc/27/11/74/141271174.db2.gz KKTKPCOIWNNIBY-FQEVSTJZSA-N 1 3 345.531 3.361 10 0 EGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000352930441 141271175 /nfs/dbraw/zinc/27/11/75/141271175.db2.gz KKTKPCOIWNNIBY-FQEVSTJZSA-N 1 3 345.531 3.361 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000353456352 141300765 /nfs/dbraw/zinc/30/07/65/141300765.db2.gz VPSYYUHCMWFKAH-CEXWTWQISA-N 1 3 329.488 3.365 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)ccn1 ZINC000341392748 155265289 /nfs/dbraw/zinc/26/52/89/155265289.db2.gz DZGDXCQRXYYTNK-HSALFYBXSA-N 1 3 343.515 3.483 10 0 EGAEHO c1cnn(CCC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000248400532 163000817 /nfs/dbraw/zinc/00/08/17/163000817.db2.gz LCJDYTFVAIFSAG-ACRUOGEOSA-N 1 3 338.499 3.164 10 0 EGAEHO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248417790 163003210 /nfs/dbraw/zinc/00/32/10/163003210.db2.gz RQYOZIFOZRVYHX-DZLUEKEQSA-N 1 3 338.499 3.290 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367592760 168246211 /nfs/dbraw/zinc/24/62/11/168246211.db2.gz FFUCRYZCBYXHPO-CEWLAPEOSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367592760 168246214 /nfs/dbraw/zinc/24/62/14/168246214.db2.gz FFUCRYZCBYXHPO-CEWLAPEOSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)on1 ZINC000367592760 168246215 /nfs/dbraw/zinc/24/62/15/168246215.db2.gz FFUCRYZCBYXHPO-CEWLAPEOSA-N 1 3 339.483 3.416 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000677854750 549343831 /nfs/dbraw/zinc/34/38/31/549343831.db2.gz ZGWZTJHAZCGBIM-PKOBYXMFSA-N 1 3 334.504 3.310 10 0 EGAEHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000179412683 265375135 /nfs/dbraw/zinc/37/51/35/265375135.db2.gz XNUSSFHRMNUDNC-OAGGEKHMSA-N 1 3 338.467 3.374 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000250077403 266262529 /nfs/dbraw/zinc/26/25/29/266262529.db2.gz ORWRBKIUAQTITA-HLAWJBBLSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274887435 267302325 /nfs/dbraw/zinc/30/23/25/267302325.db2.gz ITVPVURZZWAVMP-LPHOPBHVSA-N 1 3 342.458 3.318 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc(F)cc1 ZINC000278452141 268016071 /nfs/dbraw/zinc/01/60/71/268016071.db2.gz LPQMBZWPXBBFSD-ZLGUVYLKSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccc(F)cc1 ZINC000278452141 268016073 /nfs/dbraw/zinc/01/60/73/268016073.db2.gz LPQMBZWPXBBFSD-ZLGUVYLKSA-N 1 3 342.458 3.359 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653866 276197155 /nfs/dbraw/zinc/19/71/55/276197155.db2.gz RNFOJZKSNBLTGU-YJBOKZPZSA-N 1 3 349.494 3.044 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000225434929 279377685 /nfs/dbraw/zinc/37/76/85/279377685.db2.gz LLULCWNESNCMDO-NTZNESFSSA-N 1 3 329.257 3.188 10 0 EGAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378844 307973581 /nfs/dbraw/zinc/97/35/81/307973581.db2.gz BLITXHXPZARUEY-BRWVUGGUSA-N 1 3 339.524 3.096 10 0 EGAEHO Cc1cc(Br)ccc1CNCCC[NH2+]Cc1cccnc1 ZINC000414871981 309106540 /nfs/dbraw/zinc/10/65/40/309106540.db2.gz FKVNAGUHWSQHRA-UHFFFAOYSA-N 1 3 348.288 3.422 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414952142 309111083 /nfs/dbraw/zinc/11/10/83/309111083.db2.gz QNZLDPZFTZFASL-GYSYKLTISA-N 1 3 329.257 3.249 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414952142 309111084 /nfs/dbraw/zinc/11/10/84/309111084.db2.gz QNZLDPZFTZFASL-GYSYKLTISA-N 1 3 329.257 3.249 10 0 EGAEHO Cn1c2ccc(CN[C@H](CCC[NH3+])c3ccccc3)cc2sc1=O ZINC000415054947 309117009 /nfs/dbraw/zinc/11/70/09/309117009.db2.gz OECQFSCPRGLZMJ-MRXNPFEDSA-N 1 3 341.480 3.170 10 0 EGAEHO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416014367 309154668 /nfs/dbraw/zinc/15/46/68/309154668.db2.gz SLLPSVWGUYHBGC-UHFFFAOYSA-N 1 3 344.503 3.410 10 0 EGAEHO FC(F)CN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377363 309203527 /nfs/dbraw/zinc/20/35/27/309203527.db2.gz CXQNWDPTAJXTBG-AKHDSKFASA-N 1 3 349.469 3.111 10 0 EGAEHO FC(F)CN1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417377363 309203528 /nfs/dbraw/zinc/20/35/28/309203528.db2.gz CXQNWDPTAJXTBG-AKHDSKFASA-N 1 3 349.469 3.111 10 0 EGAEHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422700238 309363774 /nfs/dbraw/zinc/36/37/74/309363774.db2.gz BVCAJCJSHZZTKJ-PMACEKPBSA-N 1 3 325.456 3.410 10 0 EGAEHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422730439 309365489 /nfs/dbraw/zinc/36/54/89/309365489.db2.gz FAELMWNIPIXLNE-FGTMMUONSA-N 1 3 333.545 3.007 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000422735909 309365835 /nfs/dbraw/zinc/36/58/35/309365835.db2.gz FNNAZHHMVBXOKT-ZWOKBUDYSA-N 1 3 338.499 3.335 10 0 EGAEHO CCCOc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422823516 309370344 /nfs/dbraw/zinc/37/03/44/309370344.db2.gz DMXUXZQSBZUMIX-CQSZACIVSA-N 1 3 343.471 3.497 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422871431 309373007 /nfs/dbraw/zinc/37/30/07/309373007.db2.gz YUUZRAJNDUPBKB-QGWWYQLQSA-N 1 3 349.469 3.444 10 0 EGAEHO COc1cccc(N2CC[C@H](CN[C@@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896986 309374758 /nfs/dbraw/zinc/37/47/58/309374758.db2.gz BCBXZFCEPDCKNU-OTWHNJEPSA-N 1 3 345.531 3.422 10 0 EGAEHO COc1ccc(COCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422985119 309379420 /nfs/dbraw/zinc/37/94/20/309379420.db2.gz CEVAAQOCLINHGG-SLFFLAALSA-N 1 3 332.488 3.112 10 0 EGAEHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423051793 309383197 /nfs/dbraw/zinc/38/31/97/309383197.db2.gz PBZWXOFHLTVGOX-GUDVDZBRSA-N 1 3 328.456 3.030 10 0 EGAEHO COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423109561 309386464 /nfs/dbraw/zinc/38/64/64/309386464.db2.gz HRSHFIIIDIVXDU-SGTLLEGYSA-N 1 3 329.419 3.335 10 0 EGAEHO Cc1c([C@@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257005 309392693 /nfs/dbraw/zinc/39/26/93/309392693.db2.gz HAKVZLFVUWGHDY-UKRRQHHQSA-N 1 3 347.894 3.269 10 0 EGAEHO COC(=O)C(C)(C)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449061534 310033897 /nfs/dbraw/zinc/03/38/97/310033897.db2.gz VWYKNGHDDDECGT-UHFFFAOYSA-N 1 3 326.525 3.454 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000449076752 310035127 /nfs/dbraw/zinc/03/51/27/310035127.db2.gz XVYBVVYTKWWRMA-SFHVURJKSA-N 1 3 341.543 3.298 10 0 EGAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449082289 310035430 /nfs/dbraw/zinc/03/54/30/310035430.db2.gz MENZCDQPCKXQTF-SFHVURJKSA-N 1 3 341.499 3.138 10 0 EGAEHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3ccoc3)cc2)CC1 ZINC000449083351 310035653 /nfs/dbraw/zinc/03/56/53/310035653.db2.gz SZHNSEHTNQTITI-GOSISDBHSA-N 1 3 341.499 3.138 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)C(F)F ZINC000449421361 310060596 /nfs/dbraw/zinc/06/05/96/310060596.db2.gz IMNNAKCPVXFAPQ-PQEBFOHHSA-N 1 3 326.431 3.034 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)C(F)F ZINC000449421361 310060597 /nfs/dbraw/zinc/06/05/97/310060597.db2.gz IMNNAKCPVXFAPQ-PQEBFOHHSA-N 1 3 326.431 3.034 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449509176 310068013 /nfs/dbraw/zinc/06/80/13/310068013.db2.gz ITTWYPGQOBLADM-NQYYFHDYSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449509176 310068014 /nfs/dbraw/zinc/06/80/14/310068014.db2.gz ITTWYPGQOBLADM-NQYYFHDYSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449509177 310068029 /nfs/dbraw/zinc/06/80/29/310068029.db2.gz ITTWYPGQOBLADM-OQIJWPOYSA-N 1 3 336.520 3.351 10 0 EGAEHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449509177 310068030 /nfs/dbraw/zinc/06/80/30/310068030.db2.gz ITTWYPGQOBLADM-OQIJWPOYSA-N 1 3 336.520 3.351 10 0 EGAEHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000450590457 310131705 /nfs/dbraw/zinc/13/17/05/310131705.db2.gz VPLSOYJGIUKOFK-KRWDZBQOSA-N 1 3 343.506 3.302 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000450744185 310140518 /nfs/dbraw/zinc/14/05/18/310140518.db2.gz LGKMUVQWZLPBKI-KRWDZBQOSA-N 1 3 343.506 3.161 10 0 EGAEHO CN(C)[C@@H]1CCC[N@H+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477299 313101121 /nfs/dbraw/zinc/10/11/21/313101121.db2.gz QCQAQKVOVXNRNF-NYLDSWQDSA-N 1 3 330.516 3.491 10 0 EGAEHO CN(C)[C@@H]1CCC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477299 313101124 /nfs/dbraw/zinc/10/11/24/313101124.db2.gz QCQAQKVOVXNRNF-NYLDSWQDSA-N 1 3 330.516 3.491 10 0 EGAEHO C[NH+](C)[C@@H]1CCCN(CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477299 313101127 /nfs/dbraw/zinc/10/11/27/313101127.db2.gz QCQAQKVOVXNRNF-NYLDSWQDSA-N 1 3 330.516 3.491 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000532295404 313780467 /nfs/dbraw/zinc/78/04/67/313780467.db2.gz BLLZCAUIODHRCK-LJQANCHMSA-N 1 3 347.547 3.105 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000538718876 314269496 /nfs/dbraw/zinc/26/94/96/314269496.db2.gz UPBVRQFULXYOPP-IBGZPJMESA-N 1 3 347.547 3.464 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000538718876 314269500 /nfs/dbraw/zinc/26/95/00/314269500.db2.gz UPBVRQFULXYOPP-IBGZPJMESA-N 1 3 347.547 3.464 10 0 EGAEHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000570562527 317073268 /nfs/dbraw/zinc/07/32/68/317073268.db2.gz UFVXFHBEPDEUOT-VQTJNVASSA-N 1 3 332.488 3.132 10 0 EGAEHO CN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572378350 317331019 /nfs/dbraw/zinc/33/10/19/317331019.db2.gz ACTFLRVGWNNHTI-OMNBBPDLSA-N 1 3 325.859 3.084 10 0 EGAEHO CCN1CCC[C@H](NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000171268516 323227232 /nfs/dbraw/zinc/22/72/32/323227232.db2.gz VQGDIMYZEGHJHK-IBGZPJMESA-N 1 3 331.504 3.131 10 0 EGAEHO CCN1CCC[C@H](NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)C1 ZINC000171268516 323227236 /nfs/dbraw/zinc/22/72/36/323227236.db2.gz VQGDIMYZEGHJHK-IBGZPJMESA-N 1 3 331.504 3.131 10 0 EGAEHO CC[C@H](c1ccc(F)cc1F)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000172535626 323285464 /nfs/dbraw/zinc/28/54/64/323285464.db2.gz USYIKPPQSBMNSB-AUUYWEPGSA-N 1 3 340.458 3.441 10 0 EGAEHO CC(C)Cc1ncc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178785388 323360515 /nfs/dbraw/zinc/36/05/15/323360515.db2.gz JFALWXHOJCBPKB-IYBDPMFKSA-N 1 3 339.549 3.321 10 0 EGAEHO C[C@@H](N[C@@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809157 460567943 /nfs/dbraw/zinc/56/79/43/460567943.db2.gz MHLZSOXWOHHQJW-CRAIPNDOSA-N 1 3 328.460 3.009 10 0 EGAEHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@H]1C ZINC000101635001 454477801 /nfs/dbraw/zinc/47/78/01/454477801.db2.gz BOZVDSIUXIKTPO-ZACQAIPSSA-N 1 3 329.488 3.482 10 0 EGAEHO CN1CCC[C@@H](C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000092253952 454542195 /nfs/dbraw/zinc/54/21/95/454542195.db2.gz CRIYUTDLBXXENC-LJQANCHMSA-N 1 3 339.483 3.434 10 0 EGAEHO CN1CCC[C@@H](C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000092253952 454542197 /nfs/dbraw/zinc/54/21/97/454542197.db2.gz CRIYUTDLBXXENC-LJQANCHMSA-N 1 3 339.483 3.434 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000081096799 454687206 /nfs/dbraw/zinc/68/72/06/454687206.db2.gz VFJQAULGJMGZJF-RHSMWYFYSA-N 1 3 344.455 3.382 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000081096799 454687208 /nfs/dbraw/zinc/68/72/08/454687208.db2.gz VFJQAULGJMGZJF-RHSMWYFYSA-N 1 3 344.455 3.382 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000093639163 454725471 /nfs/dbraw/zinc/72/54/71/454725471.db2.gz QVIQNLLEUNITGV-HIFRSBDPSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000093639163 454725473 /nfs/dbraw/zinc/72/54/73/454725473.db2.gz QVIQNLLEUNITGV-HIFRSBDPSA-N 1 3 342.430 3.459 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1)C(C)C ZINC000113222533 454918191 /nfs/dbraw/zinc/91/81/91/454918191.db2.gz VRAUUTCHVUVRDW-FXAWDEMLSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1)C(C)C ZINC000113222533 454918196 /nfs/dbraw/zinc/91/81/96/454918196.db2.gz VRAUUTCHVUVRDW-FXAWDEMLSA-N 1 3 343.515 3.226 10 0 EGAEHO C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000167793172 454924286 /nfs/dbraw/zinc/92/42/86/454924286.db2.gz DHPNENKZVNUWOI-INIZCTEOSA-N 1 3 337.467 3.101 10 0 EGAEHO CCSCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000119186270 455130766 /nfs/dbraw/zinc/13/07/66/455130766.db2.gz YQKIIMQSEJCZJD-LJQANCHMSA-N 1 3 336.545 3.117 10 0 EGAEHO CCSCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000119186270 455130771 /nfs/dbraw/zinc/13/07/71/455130771.db2.gz YQKIIMQSEJCZJD-LJQANCHMSA-N 1 3 336.545 3.117 10 0 EGAEHO CN(CCOC(C)(C)C)[C@H]1CCC[N@H+](CCOC(C)(C)C)CC1 ZINC000156963931 455159008 /nfs/dbraw/zinc/15/90/08/455159008.db2.gz AVKJKGJCPJZCDA-KRWDZBQOSA-N 1 3 328.541 3.403 10 0 EGAEHO CN(CCOC(C)(C)C)[C@H]1CCC[N@@H+](CCOC(C)(C)C)CC1 ZINC000156963931 455159009 /nfs/dbraw/zinc/15/90/09/455159009.db2.gz AVKJKGJCPJZCDA-KRWDZBQOSA-N 1 3 328.541 3.403 10 0 EGAEHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000245381008 455282799 /nfs/dbraw/zinc/28/27/99/455282799.db2.gz BOZVDSIUXIKTPO-IXDOHACOSA-N 1 3 329.488 3.482 10 0 EGAEHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000246859532 455531046 /nfs/dbraw/zinc/53/10/46/455531046.db2.gz FNGAJWYJNLVHEV-GXTWGEPZSA-N 1 3 328.403 3.117 10 0 EGAEHO Cc1ccc2nccc(N(C)CC3CC[NH+](C[C@H](C)O)CC3)c2c1 ZINC000185643582 455588818 /nfs/dbraw/zinc/58/88/18/455588818.db2.gz JKAGSIYFCVCZHM-INIZCTEOSA-N 1 3 327.472 3.072 10 0 EGAEHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000250125536 455785652 /nfs/dbraw/zinc/78/56/52/455785652.db2.gz WBZRGKPOKBLMTM-PWRODBHTSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000250125536 455785657 /nfs/dbraw/zinc/78/56/57/455785657.db2.gz WBZRGKPOKBLMTM-PWRODBHTSA-N 1 3 327.516 3.258 10 0 EGAEHO CCn1ccnc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000296569627 455977180 /nfs/dbraw/zinc/97/71/80/455977180.db2.gz SUYAKTLYKCSGTN-UHFFFAOYSA-N 1 3 326.488 3.436 10 0 EGAEHO CCn1ccnc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000296569627 455977186 /nfs/dbraw/zinc/97/71/86/455977186.db2.gz SUYAKTLYKCSGTN-UHFFFAOYSA-N 1 3 326.488 3.436 10 0 EGAEHO CN1CCC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000237117335 456234419 /nfs/dbraw/zinc/23/44/19/456234419.db2.gz SRWUTCIZROESHH-FUHWJXTLSA-N 1 3 343.496 3.020 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CCN1C ZINC000658320040 462477022 /nfs/dbraw/zinc/47/70/22/462477022.db2.gz MLZCUWRJMQQBQT-NRSPTQNISA-N 1 3 341.543 3.361 10 0 EGAEHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337984130 456637970 /nfs/dbraw/zinc/63/79/70/456637970.db2.gz ATENYSAMIGOVAU-SFTDATJTSA-N 1 3 328.500 3.312 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353408591 456681692 /nfs/dbraw/zinc/68/16/92/456681692.db2.gz ZORRHSRZAMTFNU-SFHLNBCPSA-N 1 3 338.499 3.452 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353408591 456681699 /nfs/dbraw/zinc/68/16/99/456681699.db2.gz ZORRHSRZAMTFNU-SFHLNBCPSA-N 1 3 338.499 3.452 10 0 EGAEHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000342080213 457096622 /nfs/dbraw/zinc/09/66/22/457096622.db2.gz HEBJPVSTYDALLN-DZXKJOIRSA-N 1 3 342.405 3.155 10 0 EGAEHO O=C(CN1CCC[C@@H]1CCC1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000362953516 457172487 /nfs/dbraw/zinc/17/24/87/457172487.db2.gz ZSRZRWAUHRGPDE-LJQANCHMSA-N 1 3 347.547 3.164 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000356890420 457201075 /nfs/dbraw/zinc/20/10/75/457201075.db2.gz GVEUZUPQXCBPQU-HXUWFJFHSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000356890420 457201085 /nfs/dbraw/zinc/20/10/85/457201085.db2.gz GVEUZUPQXCBPQU-HXUWFJFHSA-N 1 3 349.563 3.221 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000354404105 457201664 /nfs/dbraw/zinc/20/16/64/457201664.db2.gz MOLBXWIEYXOGTJ-WOJBJXKFSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000354404105 457201667 /nfs/dbraw/zinc/20/16/67/457201667.db2.gz MOLBXWIEYXOGTJ-WOJBJXKFSA-N 1 3 343.515 3.032 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000386208577 457428530 /nfs/dbraw/zinc/42/85/30/457428530.db2.gz MKXPCXVCBPBKPZ-BHIFYINESA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000386208577 457428540 /nfs/dbraw/zinc/42/85/40/457428540.db2.gz MKXPCXVCBPBKPZ-BHIFYINESA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000386208577 457428545 /nfs/dbraw/zinc/42/85/45/457428545.db2.gz MKXPCXVCBPBKPZ-BHIFYINESA-N 1 3 336.479 3.179 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000397571576 457488186 /nfs/dbraw/zinc/48/81/86/457488186.db2.gz YVCUWUXNKYSJQI-GGPKGHCWSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@H](Cc1ccccc1)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375405994 457918903 /nfs/dbraw/zinc/91/89/03/457918903.db2.gz URVPOOFVTZRXFS-HXUWFJFHSA-N 1 3 343.559 3.215 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000447539479 458307887 /nfs/dbraw/zinc/30/78/87/458307887.db2.gz AMNIKKSRUVHDSA-PPQDBTBKSA-N 1 3 327.516 3.254 10 0 EGAEHO CN(C)CCOCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000447599948 458318869 /nfs/dbraw/zinc/31/88/69/458318869.db2.gz KZRKZFKSQQYDFF-MRXNPFEDSA-N 1 3 341.293 3.068 10 0 EGAEHO NC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CCCC1 ZINC000423512113 458446925 /nfs/dbraw/zinc/44/69/25/458446925.db2.gz UODMSAMUIJMLPS-PLACYPQZSA-N 1 3 327.516 3.289 10 0 EGAEHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000459778643 458476554 /nfs/dbraw/zinc/47/65/54/458476554.db2.gz LEXOAXKBJZSISS-KRWDZBQOSA-N 1 3 332.488 3.463 10 0 EGAEHO C[N@H+]1CCC[C@@H](CCNCc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000459778643 458476558 /nfs/dbraw/zinc/47/65/58/458476558.db2.gz LEXOAXKBJZSISS-KRWDZBQOSA-N 1 3 332.488 3.463 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C4CCC4)CCC3)CC2)CC1 ZINC000577625515 459064445 /nfs/dbraw/zinc/06/44/45/459064445.db2.gz LFWCCRMPQSMINV-UHFFFAOYSA-N 1 3 347.547 3.022 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000594505666 459066911 /nfs/dbraw/zinc/06/69/11/459066911.db2.gz ZLNDXHNMOHPZCF-HXUWFJFHSA-N 1 3 342.483 3.315 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000594944430 459186069 /nfs/dbraw/zinc/18/60/69/459186069.db2.gz PXCZUXGRSJKYFO-GSEOLPGOSA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944430 459186077 /nfs/dbraw/zinc/18/60/77/459186077.db2.gz PXCZUXGRSJKYFO-GSEOLPGOSA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000594944430 459186080 /nfs/dbraw/zinc/18/60/80/459186080.db2.gz PXCZUXGRSJKYFO-GSEOLPGOSA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000594944432 459187494 /nfs/dbraw/zinc/18/74/94/459187494.db2.gz PXCZUXGRSJKYFO-MTFMMBMASA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944432 459187495 /nfs/dbraw/zinc/18/74/95/459187495.db2.gz PXCZUXGRSJKYFO-MTFMMBMASA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000594944432 459187500 /nfs/dbraw/zinc/18/75/00/459187500.db2.gz PXCZUXGRSJKYFO-MTFMMBMASA-N 1 3 344.499 3.076 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCCCCC1 ZINC000541566160 459467838 /nfs/dbraw/zinc/46/78/38/459467838.db2.gz ZWWJRBNTOFPIMH-KRWDZBQOSA-N 1 3 345.531 3.427 10 0 EGAEHO COc1cncc(/C=C/CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000583021347 459468521 /nfs/dbraw/zinc/46/85/21/459468521.db2.gz GQHPIYYNATZABM-CZXUKVBWSA-N 1 3 329.488 3.301 10 0 EGAEHO COc1cncc(/C=C/CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000583021347 459468526 /nfs/dbraw/zinc/46/85/26/459468526.db2.gz GQHPIYYNATZABM-CZXUKVBWSA-N 1 3 329.488 3.301 10 0 EGAEHO CC(C)(C)OC(=O)[C@@H](CNC1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000596117817 459526751 /nfs/dbraw/zinc/52/67/51/459526751.db2.gz JSHGMUCNKHDWKH-SFHVURJKSA-N 1 3 336.520 3.208 10 0 EGAEHO CSC1(CNCc2cnn(-c3ccccc3C)c2)CC[NH+](C)CC1 ZINC000592368087 459581385 /nfs/dbraw/zinc/58/13/85/459581385.db2.gz IPQKMVZYRGFBOE-UHFFFAOYSA-N 1 3 344.528 3.098 10 0 EGAEHO C[C@H]1C[N@H+](CCOc2ccc(CCNCC3(F)CC3)cc2)C[C@H]1C ZINC000527232807 459611966 /nfs/dbraw/zinc/61/19/66/459611966.db2.gz BYJQVHVXEOCOPA-CALCHBBNSA-N 1 3 334.479 3.287 10 0 EGAEHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCC3(F)CC3)cc2)C[C@H]1C ZINC000527232807 459611971 /nfs/dbraw/zinc/61/19/71/459611971.db2.gz BYJQVHVXEOCOPA-CALCHBBNSA-N 1 3 334.479 3.287 10 0 EGAEHO CCC[N@H+](CCCN(C)C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000597128636 459845071 /nfs/dbraw/zinc/84/50/71/459845071.db2.gz CEBSUMXAADGXJV-UHFFFAOYSA-N 1 3 326.868 3.290 10 0 EGAEHO CCC[N@@H+](CCCN(C)C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000597128636 459845074 /nfs/dbraw/zinc/84/50/74/459845074.db2.gz CEBSUMXAADGXJV-UHFFFAOYSA-N 1 3 326.868 3.290 10 0 EGAEHO CCn1nccc1CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000621775030 460058906 /nfs/dbraw/zinc/05/89/06/460058906.db2.gz DBSYJIUFRWQURE-FPOVZHCZSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000621775030 460058914 /nfs/dbraw/zinc/05/89/14/460058914.db2.gz DBSYJIUFRWQURE-FPOVZHCZSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000621775030 460058920 /nfs/dbraw/zinc/05/89/20/460058920.db2.gz DBSYJIUFRWQURE-FPOVZHCZSA-N 1 3 340.515 3.118 10 0 EGAEHO C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCN1C1CCCCC1)c1ccccc1 ZINC000628544271 460453079 /nfs/dbraw/zinc/45/30/79/460453079.db2.gz YJBZLFSXOVSFDL-PMACEKPBSA-N 1 3 343.515 3.203 10 0 EGAEHO COc1ccccc1[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337412 460495905 /nfs/dbraw/zinc/49/59/05/460495905.db2.gz JBZZKNURCOIHQE-PKOBYXMFSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337412 460495909 /nfs/dbraw/zinc/49/59/09/460495909.db2.gz JBZZKNURCOIHQE-PKOBYXMFSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N1CCCC1 ZINC000623337412 460495911 /nfs/dbraw/zinc/49/59/11/460495911.db2.gz JBZZKNURCOIHQE-PKOBYXMFSA-N 1 3 345.531 3.295 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1(C)C ZINC000623360074 460508923 /nfs/dbraw/zinc/50/89/23/460508923.db2.gz SJYFHWUCSOYELR-GOSISDBHSA-N 1 3 330.520 3.424 10 0 EGAEHO C[NH+]1CCC(CNCc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623403617 460530546 /nfs/dbraw/zinc/53/05/46/460530546.db2.gz AUQOLXGXUADUSO-UHFFFAOYSA-N 1 3 334.357 3.198 10 0 EGAEHO C[N@@H+]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)CC1(C)C ZINC000623947944 460790725 /nfs/dbraw/zinc/79/07/25/460790725.db2.gz XDFBMCZLQHWWIA-IBGZPJMESA-N 1 3 345.531 3.176 10 0 EGAEHO C[N@H+]1CC[C@H](Nc2ccccc2CN2CCC(CO)CC2)CC1(C)C ZINC000623947944 460790729 /nfs/dbraw/zinc/79/07/29/460790729.db2.gz XDFBMCZLQHWWIA-IBGZPJMESA-N 1 3 345.531 3.176 10 0 EGAEHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCOCC1 ZINC000629521289 460794592 /nfs/dbraw/zinc/79/45/92/460794592.db2.gz PINOFTLTWYWUEX-ZDUSSCGKSA-N 1 3 330.394 3.124 10 0 EGAEHO c1cc(CNCC2CC[NH+](C3CC3)CC2)n(CCc2ccccc2)n1 ZINC000621350535 461002046 /nfs/dbraw/zinc/00/20/46/461002046.db2.gz LSHHLQUTXJKFSI-UHFFFAOYSA-N 1 3 338.499 3.090 10 0 EGAEHO C[C@@]1(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCCS1 ZINC000628198637 461046531 /nfs/dbraw/zinc/04/65/31/461046531.db2.gz FXAIBVCHKWAUOF-IBGZPJMESA-N 1 3 334.529 3.019 10 0 EGAEHO C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251066 461145779 /nfs/dbraw/zinc/14/57/79/461145779.db2.gz XIIBRAWZVIEXHF-WFASDCNBSA-N 1 3 328.378 3.219 10 0 EGAEHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662492412 461268564 /nfs/dbraw/zinc/26/85/64/461268564.db2.gz JXDJPFXLUQKUAH-HXUWFJFHSA-N 1 3 343.515 3.095 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@H](C)O1 ZINC000649721038 461304443 /nfs/dbraw/zinc/30/44/43/461304443.db2.gz IVNXPUSAPDFWIS-VJQWSGFBSA-N 1 3 328.500 3.443 10 0 EGAEHO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCN3CCCCC3)CC2)n1 ZINC000649780199 461344509 /nfs/dbraw/zinc/34/45/09/461344509.db2.gz YHWOBCGUWZISFB-WMZOPIPTSA-N 1 3 346.519 3.324 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccnn1-c1ccccn1 ZINC000647171420 461540424 /nfs/dbraw/zinc/54/04/24/461540424.db2.gz JNFSGNLLSSPSGK-KRWDZBQOSA-N 1 3 327.476 3.012 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccnn1-c1ccccn1 ZINC000647171420 461540432 /nfs/dbraw/zinc/54/04/32/461540432.db2.gz JNFSGNLLSSPSGK-KRWDZBQOSA-N 1 3 327.476 3.012 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccnn2-c2ccccn2)C1 ZINC000647171322 461540904 /nfs/dbraw/zinc/54/09/04/461540904.db2.gz FXVFFUUNQSTGSW-HDICACEKSA-N 1 3 341.503 3.115 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccnn2-c2ccccn2)C1 ZINC000647171322 461540913 /nfs/dbraw/zinc/54/09/13/461540913.db2.gz FXVFFUUNQSTGSW-HDICACEKSA-N 1 3 341.503 3.115 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCCc3c(F)cccc3F)CC2)C1 ZINC000655940652 461546655 /nfs/dbraw/zinc/54/66/55/461546655.db2.gz VHXASQAJLBZQQP-BEFAXECRSA-N 1 3 338.442 3.116 10 0 EGAEHO C[NH+](C)CC1CCC(NCc2ccncc2Br)CC1 ZINC000631100477 461549235 /nfs/dbraw/zinc/54/92/35/461549235.db2.gz YVEIVJQQKLKQMX-UHFFFAOYSA-N 1 3 326.282 3.054 10 0 EGAEHO c1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)n(CC2CCC2)n1 ZINC000631104748 461554170 /nfs/dbraw/zinc/55/41/70/461554170.db2.gz JFTHPZSZMUTZCI-UHFFFAOYSA-N 1 3 339.487 3.084 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000631195119 461634718 /nfs/dbraw/zinc/63/47/18/461634718.db2.gz TTZRGJLGQFXWAO-HOJAQTOUSA-N 1 3 329.532 3.217 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000663503059 461676650 /nfs/dbraw/zinc/67/66/50/461676650.db2.gz NCFJWEQMPNCZPL-IUODEOHRSA-N 1 3 345.409 3.386 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542879 461757303 /nfs/dbraw/zinc/75/73/03/461757303.db2.gz DHFSOZBDVJGEHN-IRXDYDNUSA-N 1 3 342.512 3.417 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@@H](NCCc2noc3ccccc23)[C@@H](C)C1 ZINC000653619962 461765051 /nfs/dbraw/zinc/76/50/51/461765051.db2.gz JYGILSFFHTXCJA-FUHWJXTLSA-N 1 3 345.487 3.097 10 0 EGAEHO CCOCCC[N@H+]1CC[C@@H](NCCc2noc3ccccc23)[C@@H](C)C1 ZINC000653619962 461765055 /nfs/dbraw/zinc/76/50/55/461765055.db2.gz JYGILSFFHTXCJA-FUHWJXTLSA-N 1 3 345.487 3.097 10 0 EGAEHO Cc1coc2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc12 ZINC000666793323 461805258 /nfs/dbraw/zinc/80/52/58/461805258.db2.gz CJRFQLOTZHIHCI-HNNXBMFYSA-N 1 3 346.475 3.135 10 0 EGAEHO Cc1coc2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc12 ZINC000666793323 461805264 /nfs/dbraw/zinc/80/52/64/461805264.db2.gz CJRFQLOTZHIHCI-HNNXBMFYSA-N 1 3 346.475 3.135 10 0 EGAEHO Clc1ccc2c(c1Cl)OC[C@@H]2N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789773 461835946 /nfs/dbraw/zinc/83/59/46/461835946.db2.gz LGRZXXQIKZVBLN-BIAAXOCRSA-N 1 3 327.255 3.405 10 0 EGAEHO CCCOc1ccc(Br)cc1CNCCC1(C[NH3+])CC1 ZINC000650711771 461905487 /nfs/dbraw/zinc/90/54/87/461905487.db2.gz DBMRXGHOFAVHJS-UHFFFAOYSA-N 1 3 341.293 3.457 10 0 EGAEHO COc1cc2c(c(CN3CCC[C@H](C4CC[NH2+]CC4)C3)c1)O[C@H](C)C2 ZINC000656785505 461896051 /nfs/dbraw/zinc/89/60/51/461896051.db2.gz KXKNDZXSGJXQRL-WBVHZDCISA-N 1 3 344.499 3.230 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000650719087 461911777 /nfs/dbraw/zinc/91/17/77/461911777.db2.gz CPUISRPWHZETHN-CQSZACIVSA-N 1 3 329.419 3.052 10 0 EGAEHO CC[C@H]1C[C@@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301319 462027752 /nfs/dbraw/zinc/02/77/52/462027752.db2.gz ZUUXLRPJNWVXIJ-CTNGQTDRSA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)(C)N1CC[C@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000657526262 462168571 /nfs/dbraw/zinc/16/85/71/462168571.db2.gz FFTHKXVYBUOSGR-FQEVSTJZSA-N 1 3 329.532 3.156 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cc4ccccc4[nH]3)cc2)C1 ZINC000657594911 462197486 /nfs/dbraw/zinc/19/74/86/462197486.db2.gz FIHQYHMJIMAFME-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cc4ccccc4[nH]3)cc2)C1 ZINC000657594911 462197491 /nfs/dbraw/zinc/19/74/91/462197491.db2.gz FIHQYHMJIMAFME-FQEVSTJZSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccc(F)cc3)cc2)C1 ZINC000657595403 462197998 /nfs/dbraw/zinc/19/79/98/462197998.db2.gz ICXOSTMXHUAPDS-MLBSJROLSA-N 1 3 340.442 3.195 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000648715018 462242692 /nfs/dbraw/zinc/24/26/92/462242692.db2.gz ZLOKLGXDWPXBQI-PWRODBHTSA-N 1 3 346.515 3.143 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000648715018 462242699 /nfs/dbraw/zinc/24/26/99/462242699.db2.gz ZLOKLGXDWPXBQI-PWRODBHTSA-N 1 3 346.515 3.143 10 0 EGAEHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667789111 462263264 /nfs/dbraw/zinc/26/32/64/462263264.db2.gz FGHKUJUPNWQMTM-AZUAARDMSA-N 1 3 332.488 3.064 10 0 EGAEHO COC[C@H](CC1CCOCC1)NCCC[N@@H+](C)C1CCCCC1 ZINC000657829182 462286740 /nfs/dbraw/zinc/28/67/40/462286740.db2.gz AAJWLYCKNNCYQE-SFHVURJKSA-N 1 3 326.525 3.062 10 0 EGAEHO COC[C@H](CC1CCOCC1)NCCC[N@H+](C)C1CCCCC1 ZINC000657829182 462286734 /nfs/dbraw/zinc/28/67/34/462286734.db2.gz AAJWLYCKNNCYQE-SFHVURJKSA-N 1 3 326.525 3.062 10 0 EGAEHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265065 462375810 /nfs/dbraw/zinc/37/58/10/462375810.db2.gz ONEQBQLKCTWSNU-CHWSQXEVSA-N 1 3 325.294 3.487 10 0 EGAEHO C[C@@H]([NH3+])C[C@@H](C)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000665265065 462375816 /nfs/dbraw/zinc/37/58/16/462375816.db2.gz ONEQBQLKCTWSNU-CHWSQXEVSA-N 1 3 325.294 3.487 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000658124910 462394996 /nfs/dbraw/zinc/39/49/96/462394996.db2.gz RJODNOSYIREXMS-JONQDZQNSA-N 1 3 334.426 3.339 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000658136475 462401116 /nfs/dbraw/zinc/40/11/16/462401116.db2.gz HBSBNLUINTWGHP-OXJNMPFZSA-N 1 3 339.483 3.116 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000658136475 462401123 /nfs/dbraw/zinc/40/11/23/462401123.db2.gz HBSBNLUINTWGHP-OXJNMPFZSA-N 1 3 339.483 3.116 10 0 EGAEHO COc1cccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658143273 462407360 /nfs/dbraw/zinc/40/73/60/462407360.db2.gz HBCYRSZCTNNDPM-OXQOHEQNSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1cccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658143273 462407369 /nfs/dbraw/zinc/40/73/69/462407369.db2.gz HBCYRSZCTNNDPM-OXQOHEQNSA-N 1 3 340.467 3.113 10 0 EGAEHO CN1CCCN(CCC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652150254 462451201 /nfs/dbraw/zinc/45/12/01/462451201.db2.gz QKRWMSNSAHHSQR-NRFANRHFSA-N 1 3 344.547 3.320 10 0 EGAEHO CCCCC[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662158032 462533039 /nfs/dbraw/zinc/53/30/39/462533039.db2.gz ZHMQCTBHDXJYEX-GOSISDBHSA-N 1 3 335.536 3.164 10 0 EGAEHO CC(C)COC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000092223008 546671575 /nfs/dbraw/zinc/67/15/75/546671575.db2.gz XUHIUHBEUDKNOA-UHFFFAOYSA-N 1 3 334.504 3.264 10 0 EGAEHO CC[N@H+](CCc1nccs1)Cc1ccc(OCCN(C)C)cc1 ZINC000093764438 546685838 /nfs/dbraw/zinc/68/58/38/546685838.db2.gz OOHXYSDAQPTMPW-UHFFFAOYSA-N 1 3 333.501 3.148 10 0 EGAEHO CC[N@@H+](CCc1nccs1)Cc1ccc(OCCN(C)C)cc1 ZINC000093764438 546685846 /nfs/dbraw/zinc/68/58/46/546685846.db2.gz OOHXYSDAQPTMPW-UHFFFAOYSA-N 1 3 333.501 3.148 10 0 EGAEHO CCCN1CCC([NH2+]Cc2cccc(COC3CCOCC3)c2)CC1 ZINC000162619804 546967219 /nfs/dbraw/zinc/96/72/19/546967219.db2.gz WYRANFUYQUTDIU-UHFFFAOYSA-N 1 3 346.515 3.346 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@@]1(C)CCCc2ccccc21 ZINC000676704091 549131400 /nfs/dbraw/zinc/13/14/00/549131400.db2.gz MSYLSLTWPXGGFI-UNMCSNQZSA-N 1 3 338.495 3.321 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@@]1(C)CCCc2ccccc21 ZINC000676704091 549131406 /nfs/dbraw/zinc/13/14/06/549131406.db2.gz MSYLSLTWPXGGFI-UNMCSNQZSA-N 1 3 338.495 3.321 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000678277713 549455836 /nfs/dbraw/zinc/45/58/36/549455836.db2.gz NHMAFYFZWIMGSM-HXUWFJFHSA-N 1 3 332.488 3.020 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000678277713 549455841 /nfs/dbraw/zinc/45/58/41/549455841.db2.gz NHMAFYFZWIMGSM-HXUWFJFHSA-N 1 3 332.488 3.020 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc3cnccc32)C1 ZINC000679988620 549801793 /nfs/dbraw/zinc/80/17/93/549801793.db2.gz CBTAOMYAOWLCQI-IBGZPJMESA-N 1 3 327.472 3.168 10 0 EGAEHO CN1CCC(N2CC[C@@H]([NH2+][C@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684734 576168633 /nfs/dbraw/zinc/16/86/33/576168633.db2.gz BDIQXGAGYDLFNY-QUCCMNQESA-N 1 3 331.479 3.035 10 0 EGAEHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000216630858 1296120750 /nfs/dbraw/zinc/12/07/50/1296120750.db2.gz HGFCDEWVYMGZFN-IHPCNDPISA-N 1 3 343.515 3.060 10 0 EGAEHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000216630858 1296120760 /nfs/dbraw/zinc/12/07/60/1296120760.db2.gz HGFCDEWVYMGZFN-IHPCNDPISA-N 1 3 343.515 3.060 10 0 EGAEHO Cc1cc(C)c(N2CC[C@H](N(C)CCCCCC[NH3+])C2=O)c(C)c1 ZINC000872155522 1296773235 /nfs/dbraw/zinc/77/32/35/1296773235.db2.gz OGSAXJOAESBEBY-SFHVURJKSA-N 1 3 331.504 3.168 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000305880300 1297062341 /nfs/dbraw/zinc/06/23/41/1297062341.db2.gz UIRBTLCSRJPKEI-DXBBTUNJSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000305880300 1297062358 /nfs/dbraw/zinc/06/23/58/1297062358.db2.gz UIRBTLCSRJPKEI-DXBBTUNJSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000305880300 1297062375 /nfs/dbraw/zinc/06/23/75/1297062375.db2.gz UIRBTLCSRJPKEI-DXBBTUNJSA-N 1 3 336.479 3.220 10 0 EGAEHO c1c(C[NH2+]CC[C@H]2CCc3ccccc3N2)sc2c1CNCC2 ZINC000873213517 1297355562 /nfs/dbraw/zinc/35/55/62/1297355562.db2.gz GALCDVJTYKIGPO-MRXNPFEDSA-N 1 3 327.497 3.300 10 0 EGAEHO C[C@@H]1C[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559015 1309401924 /nfs/dbraw/zinc/40/19/24/1309401924.db2.gz YRISDDPUZDQKJR-MOPGFXCFSA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CCN1c1ccncc1 ZINC000895559015 1309401925 /nfs/dbraw/zinc/40/19/25/1309401925.db2.gz YRISDDPUZDQKJR-MOPGFXCFSA-N 1 3 336.483 3.119 10 0 EGAEHO C[C@@H]1CN(C[C@@H]2CCN(c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000895559015 1309401927 /nfs/dbraw/zinc/40/19/27/1309401927.db2.gz YRISDDPUZDQKJR-MOPGFXCFSA-N 1 3 336.483 3.119 10 0 EGAEHO Cc1cc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)nn1 ZINC000930169697 1328803203 /nfs/dbraw/zinc/80/32/03/1328803203.db2.gz GEZHFSUVEBDTDS-UHFFFAOYSA-N 1 3 339.487 3.227 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3CF)CC2)CC1 ZINC000930749915 1328956404 /nfs/dbraw/zinc/95/64/04/1328956404.db2.gz JVYZHSFBKMSOLL-UHFFFAOYSA-N 1 3 333.495 3.148 10 0 EGAEHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3CF)CC2)CC1 ZINC000930749915 1328956408 /nfs/dbraw/zinc/95/64/08/1328956408.db2.gz JVYZHSFBKMSOLL-UHFFFAOYSA-N 1 3 333.495 3.148 10 0 EGAEHO O[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329810 1322734766 /nfs/dbraw/zinc/73/47/66/1322734766.db2.gz YTFBVVABRLJKOU-YPAWHYETSA-N 1 3 338.495 3.207 10 0 EGAEHO CCc1cc2oc(=O)cc(CN3CC[C@@H](C[NH3+])[C@H](C)C3)c2cc1Cl ZINC000923496591 1322761447 /nfs/dbraw/zinc/76/14/47/1322761447.db2.gz HYLQSEJCTMZWRY-OCCSQVGLSA-N 1 3 348.874 3.426 10 0 EGAEHO CCc1cc2oc(=O)cc(CN3CC[C@H](C[NH3+])[C@H](C)C3)c2cc1Cl ZINC000923496592 1322761913 /nfs/dbraw/zinc/76/19/13/1322761913.db2.gz HYLQSEJCTMZWRY-TZMCWYRMSA-N 1 3 348.874 3.426 10 0 EGAEHO C[C@@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923501299 1322763775 /nfs/dbraw/zinc/76/37/75/1322763775.db2.gz PZYGXHHAFQGMJZ-OCCSQVGLSA-N 1 3 348.288 3.414 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552326 1322775332 /nfs/dbraw/zinc/77/53/32/1322775332.db2.gz VVPPVQYQYSRWJS-NVXWUHKLSA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552326 1322775337 /nfs/dbraw/zinc/77/53/37/1322775337.db2.gz VVPPVQYQYSRWJS-NVXWUHKLSA-N 1 3 345.512 3.067 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552326 1322775340 /nfs/dbraw/zinc/77/53/40/1322775340.db2.gz VVPPVQYQYSRWJS-NVXWUHKLSA-N 1 3 345.512 3.067 10 0 EGAEHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924525853 1323042852 /nfs/dbraw/zinc/04/28/52/1323042852.db2.gz HBYGEIQVWMQOFE-OAHLLOKOSA-N 1 3 340.309 3.399 10 0 EGAEHO CC1(C)[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925476371 1325167775 /nfs/dbraw/zinc/16/77/75/1325167775.db2.gz AWWVODQXUJKDCS-HSALFYBXSA-N 1 3 345.506 3.156 10 0 EGAEHO FC(F)(F)c1csc(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925524985 1325190131 /nfs/dbraw/zinc/19/01/31/1325190131.db2.gz CVGUGYVOPAAGBB-OLZOCXBDSA-N 1 3 347.450 3.462 10 0 EGAEHO CC1(C)C[C@@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)C[C@@H]([NH3+])C1 ZINC000925530640 1325193590 /nfs/dbraw/zinc/19/35/90/1325193590.db2.gz GFKXPZUAIYSBAX-IPYPFGDCSA-N 1 3 346.393 3.114 10 0 EGAEHO c1ccc(C2(C[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544335 1325200222 /nfs/dbraw/zinc/20/02/22/1325200222.db2.gz QALNKUIVRKAYIM-RTWAWAEBSA-N 1 3 342.527 3.493 10 0 EGAEHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(COCC(F)(F)F)c1 ZINC000925596135 1325225818 /nfs/dbraw/zinc/22/58/18/1325225818.db2.gz JFTOCVOOOZLJAU-SJPCQFCGSA-N 1 3 342.405 3.195 10 0 EGAEHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(COCC(F)(F)F)c1 ZINC000925596135 1325225824 /nfs/dbraw/zinc/22/58/24/1325225824.db2.gz JFTOCVOOOZLJAU-SJPCQFCGSA-N 1 3 342.405 3.195 10 0 EGAEHO Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925776814 1325294588 /nfs/dbraw/zinc/29/45/88/1325294588.db2.gz MKSDVFUKPVBRBN-LXZKKBNFSA-N 1 3 342.405 3.128 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(Br)c1 ZINC000925781285 1325299043 /nfs/dbraw/zinc/29/90/43/1325299043.db2.gz XXGJJIOVLNYQGF-PWSUYJOCSA-N 1 3 333.220 3.345 10 0 EGAEHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925872981 1325338804 /nfs/dbraw/zinc/33/88/04/1325338804.db2.gz CKUSJXAQCKIAMR-CVEARBPZSA-N 1 3 342.393 3.249 10 0 EGAEHO C[NH+](C)CC[C@H](N[C@@H]1CCC[C@H]1Cc1ccccn1)c1cccnc1 ZINC000926902564 1327765673 /nfs/dbraw/zinc/76/56/73/1327765673.db2.gz YWNJDYVLMWTJNY-WMQCIHAUSA-N 1 3 338.499 3.470 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866230920 1330081240 /nfs/dbraw/zinc/08/12/40/1330081240.db2.gz IJDBJRQKDPDPKX-JXFKEZNVSA-N 1 3 333.495 3.066 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000866697085 1330141959 /nfs/dbraw/zinc/14/19/59/1330141959.db2.gz FIZNEJXTGZPLQM-PXNSSMCTSA-N 1 3 332.488 3.161 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171123 1387306167 /nfs/dbraw/zinc/30/61/67/1387306167.db2.gz UEPSILLZTBKQTJ-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788783 1387773107 /nfs/dbraw/zinc/77/31/07/1387773107.db2.gz LETLYAVIUHKEJY-NQIIRXRSSA-N 1 3 349.563 3.127 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001324978424 1387869415 /nfs/dbraw/zinc/86/94/15/1387869415.db2.gz UIRXKHWCIVXBJV-OAQYLSRUSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001324978424 1387869423 /nfs/dbraw/zinc/86/94/23/1387869423.db2.gz UIRXKHWCIVXBJV-OAQYLSRUSA-N 1 3 345.531 3.054 10 0 EGAEHO CN(C)C[C@@H](NCC[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001196735716 1368672669 /nfs/dbraw/zinc/67/26/69/1368672669.db2.gz GHVDBCXDNVMGIF-MRXNPFEDSA-N 1 3 330.303 3.282 10 0 EGAEHO CN(CCN1CCC(C)([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC001197582689 1368844668 /nfs/dbraw/zinc/84/46/68/1368844668.db2.gz WPOXMQATJZQJEA-UHFFFAOYSA-N 1 3 329.532 3.459 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001326773764 1388306330 /nfs/dbraw/zinc/30/63/30/1388306330.db2.gz JPDKWLCSHTVDET-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)[C@@H](C)c1ccccc1C ZINC001266102697 1377186898 /nfs/dbraw/zinc/18/68/98/1377186898.db2.gz GXNBHUWCTOULHV-KRWDZBQOSA-N 1 3 342.487 3.158 10 0 EGAEHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)[C@@H](C)c1ccccc1C ZINC001266102697 1377186901 /nfs/dbraw/zinc/18/69/01/1377186901.db2.gz GXNBHUWCTOULHV-KRWDZBQOSA-N 1 3 342.487 3.158 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001267570526 1377460581 /nfs/dbraw/zinc/46/05/81/1377460581.db2.gz BPGYTWQBBIHYRT-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267570526 1377460582 /nfs/dbraw/zinc/46/05/82/1377460582.db2.gz BPGYTWQBBIHYRT-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC1([NH2+]CCC2CCCC2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001327456127 1388524514 /nfs/dbraw/zinc/52/45/14/1388524514.db2.gz WCLWVZQPRLHDFH-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001274340968 1378123267 /nfs/dbraw/zinc/12/32/67/1378123267.db2.gz ZNUWQQKGTUNSCS-NREOILKTSA-N 1 3 345.531 3.213 10 0 EGAEHO CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001327489315 1388533628 /nfs/dbraw/zinc/53/36/28/1388533628.db2.gz XPZJDTKWWKCQMY-SFHVURJKSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001278623203 1378284344 /nfs/dbraw/zinc/28/43/44/1378284344.db2.gz ULMZRGVKNWXWLO-GOSISDBHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001282741439 1378592970 /nfs/dbraw/zinc/59/29/70/1378592970.db2.gz SKIFCKOMHVXFFW-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001283240600 1378769517 /nfs/dbraw/zinc/76/95/17/1378769517.db2.gz VOKAIXMLJRXQMP-VQIMIIECSA-N 1 3 345.531 3.020 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001284088133 1379454246 /nfs/dbraw/zinc/45/42/46/1379454246.db2.gz UGUWYEPMFGQXPO-IPMKNSEASA-N 1 3 349.563 3.124 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001284104909 1379479020 /nfs/dbraw/zinc/47/90/20/1379479020.db2.gz ZVZWUKRLOFPVTD-IPMKNSEASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001284614542 1380013831 /nfs/dbraw/zinc/01/38/31/1380013831.db2.gz SWTOAHYISOHZGT-MRXNPFEDSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001316773032 1384571091 /nfs/dbraw/zinc/57/10/91/1384571091.db2.gz RTSNAGOMQWIOSN-ZWKOTPCHSA-N 1 3 343.531 3.073 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001316774481 1384573011 /nfs/dbraw/zinc/57/30/11/1384573011.db2.gz UCFZKYWCXIXOKM-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001317149476 1384916370 /nfs/dbraw/zinc/91/63/70/1384916370.db2.gz IUKNMRKPBWIAGQ-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241627 1385014710 /nfs/dbraw/zinc/01/47/10/1385014710.db2.gz MOFBZRNFLYTQOL-JXFKEZNVSA-N 1 3 343.515 3.031 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317350195 1385099786 /nfs/dbraw/zinc/09/97/86/1385099786.db2.gz KCJUAMBXKHDUPT-ROUUACIJSA-N 1 3 335.536 3.234 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416172 1385125911 /nfs/dbraw/zinc/12/59/11/1385125911.db2.gz SOAYCPIXQCLMLO-QUCCMNQESA-N 1 3 345.531 3.162 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001317434890 1385138355 /nfs/dbraw/zinc/13/83/55/1385138355.db2.gz NQTPIIQNBFHKIQ-VQTJNVASSA-N 1 3 349.563 3.412 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001317434890 1385138356 /nfs/dbraw/zinc/13/83/56/1385138356.db2.gz NQTPIIQNBFHKIQ-VQTJNVASSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001317513246 1385225862 /nfs/dbraw/zinc/22/58/62/1385225862.db2.gz IZETXKSOJPKAPQ-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001317513246 1385225866 /nfs/dbraw/zinc/22/58/66/1385225866.db2.gz IZETXKSOJPKAPQ-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001317682282 1385391746 /nfs/dbraw/zinc/39/17/46/1385391746.db2.gz ADMMVEDFVYAZMU-RNBODJDXSA-N 1 3 337.552 3.146 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001318859706 1385863830 /nfs/dbraw/zinc/86/38/30/1385863830.db2.gz JASXCDZCPWHSEG-OALUTQOASA-N 1 3 345.531 3.306 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(CC[NH2+]CC3=CCCCC3)CC2)C1 ZINC001318915269 1385880203 /nfs/dbraw/zinc/88/02/03/1385880203.db2.gz PQAHGQADDJMKGX-SFHVURJKSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)C1 ZINC001318976310 1385904742 /nfs/dbraw/zinc/90/47/42/1385904742.db2.gz OCKTZZRDQRFJMF-IHPCNDPISA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001318975584 1385904922 /nfs/dbraw/zinc/90/49/22/1385904922.db2.gz JDLSRXVMWDEMMR-GUDVDZBRSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/c1ccccc1)N(C)C ZINC001319085851 1385956539 /nfs/dbraw/zinc/95/65/39/1385956539.db2.gz WAZPHCZENHQFFC-ZCBOBATRSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001319352171 1386074641 /nfs/dbraw/zinc/07/46/41/1386074641.db2.gz ROJSQZVAAAXQPA-QGZVFWFLSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001698627864 1406270328 /nfs/dbraw/zinc/27/03/28/1406270328.db2.gz XJWDUKSAWQKRLB-LJQANCHMSA-N 1 3 349.563 3.458 10 0 EGAEHO CCCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001319389985 1386099347 /nfs/dbraw/zinc/09/93/47/1386099347.db2.gz UNEOSNJTERRXBB-UHFFFAOYSA-N 1 3 331.504 3.181 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592305 1386194259 /nfs/dbraw/zinc/19/42/59/1386194259.db2.gz IPJVPIHKSKHWAK-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)cc1 ZINC001319593463 1386195362 /nfs/dbraw/zinc/19/53/62/1386195362.db2.gz OJADVZVKMFZHTD-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001319805591 1386305273 /nfs/dbraw/zinc/30/52/73/1386305273.db2.gz IGEXUZIPGQEBNY-OALUTQOASA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001322308268 1387152886 /nfs/dbraw/zinc/15/28/86/1387152886.db2.gz VTODMABOWCMTIP-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001322308268 1387152887 /nfs/dbraw/zinc/15/28/87/1387152887.db2.gz VTODMABOWCMTIP-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001322852268 1387247254 /nfs/dbraw/zinc/24/72/54/1387247254.db2.gz LZVAKWDUZWHVIH-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC001329570255 1389160268 /nfs/dbraw/zinc/16/02/68/1389160268.db2.gz DCPVVYYQPLAJQV-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001329570255 1389160271 /nfs/dbraw/zinc/16/02/71/1389160271.db2.gz DCPVVYYQPLAJQV-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045738 1389293390 /nfs/dbraw/zinc/29/33/90/1389293390.db2.gz DPZOBRGYHCQFKO-PXNSSMCTSA-N 1 3 345.531 3.052 10 0 EGAEHO CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001698737031 1406388948 /nfs/dbraw/zinc/38/89/48/1406388948.db2.gz ADCUFHCSPDNEKI-LJQANCHMSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001698737031 1406388949 /nfs/dbraw/zinc/38/89/49/1406388949.db2.gz ADCUFHCSPDNEKI-LJQANCHMSA-N 1 3 349.563 3.366 10 0 EGAEHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412082 1390109180 /nfs/dbraw/zinc/10/91/80/1390109180.db2.gz ASVCTEXNTRUPLQ-MAUKXSAKSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001332804837 1390190595 /nfs/dbraw/zinc/19/05/95/1390190595.db2.gz BHOBXQJTSFEONA-QGZVFWFLSA-N 1 3 339.568 3.418 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001332949502 1390222527 /nfs/dbraw/zinc/22/25/27/1390222527.db2.gz GSDAHMIOTKDGRM-JTGQJZMRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCCC(C)(C)C)CC1)N(C)C ZINC001332997765 1390233037 /nfs/dbraw/zinc/23/30/37/1390233037.db2.gz KIFNZUJPWMXXDP-WMZOPIPTSA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001698804482 1406484301 /nfs/dbraw/zinc/48/43/01/1406484301.db2.gz VIIAGMSBMAUDBX-HDICACEKSA-N 1 3 349.563 3.458 10 0 EGAEHO CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479854678 1392434780 /nfs/dbraw/zinc/43/47/80/1392434780.db2.gz LPAADPDFSHAHHY-APWZRJJASA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@@H](C)C[N@@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479854678 1392434783 /nfs/dbraw/zinc/43/47/83/1392434783.db2.gz LPAADPDFSHAHHY-APWZRJJASA-N 1 3 343.531 3.073 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001479984828 1392517322 /nfs/dbraw/zinc/51/73/22/1392517322.db2.gz HVXSQLUXHSESLW-XDIYQJDNSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001480045634 1392549458 /nfs/dbraw/zinc/54/94/58/1392549458.db2.gz ZBTKDDFGCYQWFC-RBUKOAKNSA-N 1 3 349.563 3.027 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480051666 1392551849 /nfs/dbraw/zinc/55/18/49/1392551849.db2.gz UHWPPEQJKUYTPS-ZWKOTPCHSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480051659 1392552038 /nfs/dbraw/zinc/55/20/38/1392552038.db2.gz UHWPPEQJKUYTPS-MSOLQXFVSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480051662 1392552071 /nfs/dbraw/zinc/55/20/71/1392552071.db2.gz UHWPPEQJKUYTPS-QZTJIDSGSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001480409827 1392746139 /nfs/dbraw/zinc/74/61/39/1392746139.db2.gz UKXIAWHGKAYFOL-YFOOIWMTSA-N 1 3 341.927 3.019 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001480742961 1392909670 /nfs/dbraw/zinc/90/96/70/1392909670.db2.gz SXXXRYINDMYVJU-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001480742961 1392909673 /nfs/dbraw/zinc/90/96/73/1392909673.db2.gz SXXXRYINDMYVJU-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001698874814 1406598041 /nfs/dbraw/zinc/59/80/41/1406598041.db2.gz WPEVGBLLIPSZPY-QFBILLFUSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001481343009 1393168771 /nfs/dbraw/zinc/16/87/71/1393168771.db2.gz KZKDBLVVSMICND-SFHVURJKSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCC1 ZINC001698922740 1406658059 /nfs/dbraw/zinc/65/80/59/1406658059.db2.gz HFHJZASUOISDBD-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001481390654 1394230696 /nfs/dbraw/zinc/23/06/96/1394230696.db2.gz MGXNMPMRNFWYAU-QGFMHUBQSA-N 1 3 349.563 3.361 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001481390654 1394230698 /nfs/dbraw/zinc/23/06/98/1394230698.db2.gz MGXNMPMRNFWYAU-QGFMHUBQSA-N 1 3 349.563 3.361 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001490597278 1394278881 /nfs/dbraw/zinc/27/88/81/1394278881.db2.gz OOHUMTHLHHBQNF-HKVOBHHDSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491191159 1394465002 /nfs/dbraw/zinc/46/50/02/1394465002.db2.gz PZTGZAWGGCVBIN-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855286 1394560859 /nfs/dbraw/zinc/56/08/59/1394560859.db2.gz KNVUZQAMRLSUCS-AZUAARDMSA-N 1 3 345.531 3.244 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC001482008298 1394668260 /nfs/dbraw/zinc/66/82/60/1394668260.db2.gz NRRMZMCUJVPVMF-GOSISDBHSA-N 1 3 343.515 3.062 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC(C)CC2)CC1)N(C)C ZINC001482018781 1394675121 /nfs/dbraw/zinc/67/51/21/1394675121.db2.gz UCEODVCOMSJDNA-CPLYBDICSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001482354667 1394917929 /nfs/dbraw/zinc/91/79/29/1394917929.db2.gz SZADAIFXZUQYAA-QFBILLFUSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001482368738 1394931213 /nfs/dbraw/zinc/93/12/13/1394931213.db2.gz IWBWANIYWNHTGI-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001484886417 1395585182 /nfs/dbraw/zinc/58/51/82/1395585182.db2.gz COIPXPQSSLRNTJ-PLQXZHKYSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001485214252 1395709484 /nfs/dbraw/zinc/70/94/84/1395709484.db2.gz DQDIFJUHRCPRMG-LSDHHAIUSA-N 1 3 334.508 3.104 10 0 EGAEHO CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001485260546 1395746834 /nfs/dbraw/zinc/74/68/34/1395746834.db2.gz RWFMSVCXARZRRK-IAGOWNOFSA-N 1 3 343.531 3.072 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001485695069 1396104433 /nfs/dbraw/zinc/10/44/33/1396104433.db2.gz ACAHBAMCBNVBTG-LNLFQRSKSA-N 1 3 345.531 3.210 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486238209 1396186844 /nfs/dbraw/zinc/18/68/44/1396186844.db2.gz NGSPQTHSVRWSBB-QWPQOLDESA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001494241923 1396407681 /nfs/dbraw/zinc/40/76/81/1396407681.db2.gz WBFZUOLJOBMXIN-ZYHOBAKYSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@@H](C[NH2+]CC/C=C\c1ccccc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082768 1396598270 /nfs/dbraw/zinc/59/82/70/1396598270.db2.gz UCNMRZWWAMPWTO-ZHJQRIIBSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001496325656 1396651116 /nfs/dbraw/zinc/65/11/16/1396651116.db2.gz JFZFZCZFNWQXOW-GOSISDBHSA-N 1 3 339.568 3.418 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497268865 1396741021 /nfs/dbraw/zinc/74/10/21/1396741021.db2.gz QJRYEPALOVGXEE-BOYOMHKPSA-N 1 3 341.515 3.040 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C ZINC001497678153 1396780449 /nfs/dbraw/zinc/78/04/49/1396780449.db2.gz CMUMKYWHQPBMNL-BBVFFXRHSA-N 1 3 345.531 3.296 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001689238921 1396987100 /nfs/dbraw/zinc/98/71/00/1396987100.db2.gz QZYFFBCNOFPKGY-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001689238921 1396987102 /nfs/dbraw/zinc/98/71/02/1396987102.db2.gz QZYFFBCNOFPKGY-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001689267071 1396998481 /nfs/dbraw/zinc/99/84/81/1396998481.db2.gz DENPQKFKDDQVGZ-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267991 1396999262 /nfs/dbraw/zinc/99/92/62/1396999262.db2.gz VSFKTQIVQQFYNH-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362859 1403699372 /nfs/dbraw/zinc/69/93/72/1403699372.db2.gz IPJZRYWRPCXUKM-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362859 1403699382 /nfs/dbraw/zinc/69/93/82/1403699382.db2.gz IPJZRYWRPCXUKM-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)CCC(C)(C)C ZINC001689970642 1404235182 /nfs/dbraw/zinc/23/51/82/1404235182.db2.gz WEPHUMIQLIZIFA-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)CCC(C)(C)C ZINC001689970642 1404235185 /nfs/dbraw/zinc/23/51/85/1404235185.db2.gz WEPHUMIQLIZIFA-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108736 1404304843 /nfs/dbraw/zinc/30/48/43/1404304843.db2.gz OTUAMLWHBVGZFC-IBGZPJMESA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001690131798 1404327470 /nfs/dbraw/zinc/32/74/70/1404327470.db2.gz ZZYFBXDSEVODOB-HKUYNNGSSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001690380448 1404512430 /nfs/dbraw/zinc/51/24/30/1404512430.db2.gz AAHVQYMPQLGIFW-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001690380448 1404512432 /nfs/dbraw/zinc/51/24/32/1404512432.db2.gz AAHVQYMPQLGIFW-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001690487439 1404601999 /nfs/dbraw/zinc/60/19/99/1404601999.db2.gz UABJWRKBIURDSA-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788980 1404736091 /nfs/dbraw/zinc/73/60/91/1404736091.db2.gz YEBYAYRLYBFFLU-MOPGFXCFSA-N 1 3 335.536 3.234 10 0 EGAEHO CCc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001690881119 1404794532 /nfs/dbraw/zinc/79/45/32/1404794532.db2.gz JYJJCOJHCQKJQV-XLIONFOSSA-N 1 3 345.531 3.108 10 0 EGAEHO Cc1ccc(CN(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C(C)C)cc1 ZINC001725730586 1426400283 /nfs/dbraw/zinc/40/02/83/1426400283.db2.gz XQYZBUSFTZYFGZ-IBGZPJMESA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccc(CN(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C(C)C)cc1 ZINC001725730586 1426400284 /nfs/dbraw/zinc/40/02/84/1426400284.db2.gz XQYZBUSFTZYFGZ-IBGZPJMESA-N 1 3 345.531 3.006 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001691485933 1405296718 /nfs/dbraw/zinc/29/67/18/1405296718.db2.gz ZOCFIIDABVABKF-IPMKNSEASA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001691485933 1405296722 /nfs/dbraw/zinc/29/67/22/1405296722.db2.gz ZOCFIIDABVABKF-IPMKNSEASA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001691979731 1405693112 /nfs/dbraw/zinc/69/31/12/1405693112.db2.gz RRIZWMJOJUJFMW-WOJBJXKFSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001691979731 1405693113 /nfs/dbraw/zinc/69/31/13/1405693113.db2.gz RRIZWMJOJUJFMW-WOJBJXKFSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001692394889 1405996037 /nfs/dbraw/zinc/99/60/37/1405996037.db2.gz VQSOZAJNVXNHAC-QYZOEREBSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001692394889 1405996039 /nfs/dbraw/zinc/99/60/39/1405996039.db2.gz VQSOZAJNVXNHAC-QYZOEREBSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001732392188 1428560987 /nfs/dbraw/zinc/56/09/87/1428560987.db2.gz FNIIVTRYVSLYCS-UHFFFAOYSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001732497622 1428618967 /nfs/dbraw/zinc/61/89/67/1428618967.db2.gz CGQWTEBNZLAJBP-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001732497821 1428619737 /nfs/dbraw/zinc/61/97/37/1428619737.db2.gz FKUCBVPTONRJQJ-XLIONFOSSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001699406509 1412719963 /nfs/dbraw/zinc/71/99/63/1412719963.db2.gz ZATMFVWEJLUIED-INIZCTEOSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001699579847 1412935871 /nfs/dbraw/zinc/93/58/71/1412935871.db2.gz STXVXINPRSIECO-OALUTQOASA-N 1 3 349.563 3.027 10 0 EGAEHO CCC(CC)C[NH2+]C1(CC)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001700219684 1413664621 /nfs/dbraw/zinc/66/46/21/1413664621.db2.gz CEZUIZDRZCTSLP-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC1([NH2+]CC=C(C)C)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001700221037 1413667484 /nfs/dbraw/zinc/66/74/84/1413667484.db2.gz CLFPMKRNFFRKFG-UHFFFAOYSA-N 1 3 337.552 3.291 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294306 1413753396 /nfs/dbraw/zinc/75/33/96/1413753396.db2.gz PYKCXNIAJSSGID-ZEVQVBBLSA-N 1 3 346.519 3.224 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294306 1413753399 /nfs/dbraw/zinc/75/33/99/1413753399.db2.gz PYKCXNIAJSSGID-ZEVQVBBLSA-N 1 3 346.519 3.224 10 0 EGAEHO CC(C)CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001700379312 1413906288 /nfs/dbraw/zinc/90/62/88/1413906288.db2.gz SZKUWJRUWQWASD-ACBHZAAOSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001700418866 1413966182 /nfs/dbraw/zinc/96/61/82/1413966182.db2.gz UWWWPDKGIZENDC-IAGOWNOFSA-N 1 3 337.552 3.338 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001700475713 1414101792 /nfs/dbraw/zinc/10/17/92/1414101792.db2.gz FWAZRLKHSXDUGO-UYAOXDASSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001700475713 1414101793 /nfs/dbraw/zinc/10/17/93/1414101793.db2.gz FWAZRLKHSXDUGO-UYAOXDASSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](CCCC3CCC3)C[C@]2(C)C1 ZINC001700622885 1414294367 /nfs/dbraw/zinc/29/43/67/1414294367.db2.gz BSNKFQNZIHMCPF-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCCC3CCC3)C[C@]2(C)C1 ZINC001700622885 1414294371 /nfs/dbraw/zinc/29/43/71/1414294371.db2.gz BSNKFQNZIHMCPF-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732584819 1428796084 /nfs/dbraw/zinc/79/60/84/1428796084.db2.gz CHVJCWMCPRASSD-VQIMIIECSA-N 1 3 349.494 3.151 10 0 EGAEHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001732584819 1428796086 /nfs/dbraw/zinc/79/60/86/1428796086.db2.gz CHVJCWMCPRASSD-VQIMIIECSA-N 1 3 349.494 3.151 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1 ZINC001700678910 1414334031 /nfs/dbraw/zinc/33/40/31/1414334031.db2.gz MCHCRCZRSNJGCN-ICSRJNTNSA-N 1 3 345.531 3.324 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001701032997 1414697453 /nfs/dbraw/zinc/69/74/53/1414697453.db2.gz UTXVHUPNJNBPOG-IRXDYDNUSA-N 1 3 347.547 3.020 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734829 1428935846 /nfs/dbraw/zinc/93/58/46/1428935846.db2.gz UEEMIWGXJGILIK-WMZOPIPTSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001707198061 1417240906 /nfs/dbraw/zinc/24/09/06/1417240906.db2.gz OQCQWALNGXSLGC-GBESFXJTSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1C[C@@H](C)CC(C)C ZINC001707198061 1417240907 /nfs/dbraw/zinc/24/09/07/1417240907.db2.gz OQCQWALNGXSLGC-GBESFXJTSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001707282059 1417292181 /nfs/dbraw/zinc/29/21/81/1417292181.db2.gz NZYIMDSHMOHFQP-KRWDZBQOSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001707282059 1417292182 /nfs/dbraw/zinc/29/21/82/1417292182.db2.gz NZYIMDSHMOHFQP-KRWDZBQOSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001707481905 1417378553 /nfs/dbraw/zinc/37/85/53/1417378553.db2.gz XBVPHWKDSHVRPM-KRWDZBQOSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@@H](c1ccccc1)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001707481905 1417378555 /nfs/dbraw/zinc/37/85/55/1417378555.db2.gz XBVPHWKDSHVRPM-KRWDZBQOSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001712952597 1417509767 /nfs/dbraw/zinc/50/97/67/1417509767.db2.gz PYDQPQMXBJVWLV-SJORKVTESA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001712952597 1417509769 /nfs/dbraw/zinc/50/97/69/1417509769.db2.gz PYDQPQMXBJVWLV-SJORKVTESA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713224626 1417813046 /nfs/dbraw/zinc/81/30/46/1417813046.db2.gz YUVVECXWCTYVBR-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713224626 1417813050 /nfs/dbraw/zinc/81/30/50/1417813050.db2.gz YUVVECXWCTYVBR-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001713253571 1417847998 /nfs/dbraw/zinc/84/79/98/1417847998.db2.gz SQKALEFXBBPVQM-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001713253571 1417848006 /nfs/dbraw/zinc/84/80/06/1417848006.db2.gz SQKALEFXBBPVQM-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001733065838 1429219418 /nfs/dbraw/zinc/21/94/18/1429219418.db2.gz JRKKFHNJTZGKNG-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001733065838 1429219421 /nfs/dbraw/zinc/21/94/21/1429219421.db2.gz JRKKFHNJTZGKNG-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001713417617 1418041379 /nfs/dbraw/zinc/04/13/79/1418041379.db2.gz YCIDYBRVOPGDRF-MRXNPFEDSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001713473284 1418147538 /nfs/dbraw/zinc/14/75/38/1418147538.db2.gz SXDCLMNTDXEPSK-MSOLQXFVSA-N 1 3 345.531 3.261 10 0 EGAEHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001713473284 1418147544 /nfs/dbraw/zinc/14/75/44/1418147544.db2.gz SXDCLMNTDXEPSK-MSOLQXFVSA-N 1 3 345.531 3.261 10 0 EGAEHO C[C@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001713683632 1418436392 /nfs/dbraw/zinc/43/63/92/1418436392.db2.gz AXLGUZYJHSLWJN-SFHVURJKSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001713794107 1418613682 /nfs/dbraw/zinc/61/36/82/1418613682.db2.gz AQEINSJJQDPVFO-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001713794107 1418613683 /nfs/dbraw/zinc/61/36/83/1418613683.db2.gz AQEINSJJQDPVFO-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001714115742 1418918157 /nfs/dbraw/zinc/91/81/57/1418918157.db2.gz UFDBPFMWGHKFBE-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)N(CC)CC ZINC001714115742 1418918158 /nfs/dbraw/zinc/91/81/58/1418918158.db2.gz UFDBPFMWGHKFBE-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001733198863 1429301353 /nfs/dbraw/zinc/30/13/53/1429301353.db2.gz MSIUMSKOADSZDD-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001714489359 1419212716 /nfs/dbraw/zinc/21/27/16/1419212716.db2.gz KJXGCSTXGMSFCR-DLBZAZTESA-N 1 3 337.552 3.029 10 0 EGAEHO CC[N@H+](CCCC(C)C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001714592520 1419340228 /nfs/dbraw/zinc/34/02/28/1419340228.db2.gz OHESIKODYIXPJW-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC[N@@H+](CCCC(C)C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001714592520 1419340229 /nfs/dbraw/zinc/34/02/29/1419340229.db2.gz OHESIKODYIXPJW-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883901 1419622424 /nfs/dbraw/zinc/62/24/24/1419622424.db2.gz XTKBKBFAMMNBQV-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714884482 1419623617 /nfs/dbraw/zinc/62/36/17/1419623617.db2.gz NDHLPCXVPDSBQC-PMACEKPBSA-N 1 3 347.547 3.189 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001714884482 1419623620 /nfs/dbraw/zinc/62/36/20/1419623620.db2.gz NDHLPCXVPDSBQC-PMACEKPBSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001714884813 1419624681 /nfs/dbraw/zinc/62/46/81/1419624681.db2.gz YHDHNPMKHRRBFV-QUCCMNQESA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001714884813 1419624682 /nfs/dbraw/zinc/62/46/82/1419624682.db2.gz YHDHNPMKHRRBFV-QUCCMNQESA-N 1 3 347.547 3.047 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1ccccc1F ZINC001715076644 1419811438 /nfs/dbraw/zinc/81/14/38/1419811438.db2.gz VZWMGFLLTUIXSC-AEFFLSMTSA-N 1 3 349.494 3.075 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715433349 1420121364 /nfs/dbraw/zinc/12/13/64/1420121364.db2.gz BWFWZACWGNMYIQ-PKOBYXMFSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441183 1420126379 /nfs/dbraw/zinc/12/63/79/1420126379.db2.gz YAVKWOVFVQDZTR-QUCCMNQESA-N 1 3 349.563 3.435 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C)c1 ZINC001715507754 1420190935 /nfs/dbraw/zinc/19/09/35/1420190935.db2.gz RROGLLJCLAVYGG-AZUAARDMSA-N 1 3 347.547 3.435 10 0 EGAEHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716222375 1420570954 /nfs/dbraw/zinc/57/09/54/1420570954.db2.gz YNDSLZKCXVFWQH-IRXDYDNUSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001716222375 1420570956 /nfs/dbraw/zinc/57/09/56/1420570956.db2.gz YNDSLZKCXVFWQH-IRXDYDNUSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001716344136 1420611835 /nfs/dbraw/zinc/61/18/35/1420611835.db2.gz QHGMBGJRGXHCOA-FRAJWHGFSA-N 1 3 337.895 3.003 10 0 EGAEHO C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001716407283 1420639258 /nfs/dbraw/zinc/63/92/58/1420639258.db2.gz GDGIWOJPCUTOMY-QGZVFWFLSA-N 1 3 337.552 3.316 10 0 EGAEHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCC2CCCCCC2)CCC1 ZINC001716546583 1420756532 /nfs/dbraw/zinc/75/65/32/1420756532.db2.gz XNZKOJXEOIUZBK-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001716700636 1420853490 /nfs/dbraw/zinc/85/34/90/1420853490.db2.gz KSBIADOVTUZYGZ-IRXDYDNUSA-N 1 3 335.536 3.068 10 0 EGAEHO CC[C@@H](C(=O)NCC[N@H+](CC=C(C)C)C1CCCCCC1)N(C)C ZINC001733278826 1429447510 /nfs/dbraw/zinc/44/75/10/1429447510.db2.gz LBOPLHBQEZGICS-IBGZPJMESA-N 1 3 337.552 3.434 10 0 EGAEHO CC[C@@H](C(=O)NCC[N@@H+](CC=C(C)C)C1CCCCCC1)N(C)C ZINC001733278826 1429447511 /nfs/dbraw/zinc/44/75/11/1429447511.db2.gz LBOPLHBQEZGICS-IBGZPJMESA-N 1 3 337.552 3.434 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001716830473 1420957765 /nfs/dbraw/zinc/95/77/65/1420957765.db2.gz QDMIPXBFWCNWDY-FQEVSTJZSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001716830473 1420957769 /nfs/dbraw/zinc/95/77/69/1420957769.db2.gz QDMIPXBFWCNWDY-FQEVSTJZSA-N 1 3 349.563 3.366 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001716900779 1421031510 /nfs/dbraw/zinc/03/15/10/1421031510.db2.gz UUBYNPAZMGSVPC-CTNGQTDRSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001716900779 1421031512 /nfs/dbraw/zinc/03/15/12/1421031512.db2.gz UUBYNPAZMGSVPC-CTNGQTDRSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111358 1421115026 /nfs/dbraw/zinc/11/50/26/1421115026.db2.gz QWWAORPXTLDQBH-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCC1 ZINC001717159416 1421148953 /nfs/dbraw/zinc/14/89/53/1421148953.db2.gz ZJSDDKXDWYKDNH-WRFKIARRSA-N 1 3 335.536 3.236 10 0 EGAEHO CCC1([NH2+]Cc2ccccc2)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001717237967 1421205958 /nfs/dbraw/zinc/20/59/58/1421205958.db2.gz DHDIJXOIUNZWLX-UHFFFAOYSA-N 1 3 343.515 3.032 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001717292868 1421238891 /nfs/dbraw/zinc/23/88/91/1421238891.db2.gz BXRDTZPGABQSJA-FXAWDEMLSA-N 1 3 345.531 3.235 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C2(C)CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001717304909 1421246403 /nfs/dbraw/zinc/24/64/03/1421246403.db2.gz XHJQQSNBKYVYGR-UHFFFAOYSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@@H](c1cccc(F)c1)N1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310199 1421253408 /nfs/dbraw/zinc/25/34/08/1421253408.db2.gz CPYDODWVNDNSFN-MAUKXSAKSA-N 1 3 349.494 3.055 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCC1)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001717411482 1421343640 /nfs/dbraw/zinc/34/36/40/1421343640.db2.gz SXUABRIUHQNYQF-SJORKVTESA-N 1 3 337.552 3.314 10 0 EGAEHO CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)C(C)(C)N1CCCCC1 ZINC001717452704 1421382489 /nfs/dbraw/zinc/38/24/89/1421382489.db2.gz OKBGITVFNXAOBF-MDZDMXLPSA-N 1 3 343.943 3.078 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001733293123 1429473481 /nfs/dbraw/zinc/47/34/81/1429473481.db2.gz PBHUSWKTSTXWRT-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC001717856274 1421668716 /nfs/dbraw/zinc/66/87/16/1421668716.db2.gz QTPVXIMQBGMLME-ZWKOTPCHSA-N 1 3 335.536 3.164 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H]1C ZINC001717856274 1421668718 /nfs/dbraw/zinc/66/87/18/1421668718.db2.gz QTPVXIMQBGMLME-ZWKOTPCHSA-N 1 3 335.536 3.164 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001717952338 1421723319 /nfs/dbraw/zinc/72/33/19/1421723319.db2.gz TUQGBZUXPFPWCB-RBUKOAKNSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001717952338 1421723320 /nfs/dbraw/zinc/72/33/20/1421723320.db2.gz TUQGBZUXPFPWCB-RBUKOAKNSA-N 1 3 345.531 3.258 10 0 EGAEHO CCc1ccccc1C[N@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001717952996 1421724478 /nfs/dbraw/zinc/72/44/78/1421724478.db2.gz UYRWYQMVMQWLJF-UHFFFAOYSA-N 1 3 345.531 3.014 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001717952996 1421724479 /nfs/dbraw/zinc/72/44/79/1421724479.db2.gz UYRWYQMVMQWLJF-UHFFFAOYSA-N 1 3 345.531 3.014 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001717981107 1421753184 /nfs/dbraw/zinc/75/31/84/1421753184.db2.gz YVQWTLDWEZUQDT-QGZVFWFLSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001717983466 1421755756 /nfs/dbraw/zinc/75/57/56/1421755756.db2.gz GSDAHMIOTKDGRM-TUYSUELWSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001733329304 1429514877 /nfs/dbraw/zinc/51/48/77/1429514877.db2.gz AWNLKJIUIYZTIR-FXAWDEMLSA-N 1 3 343.515 3.297 10 0 EGAEHO Cc1cccc(C[NH+]2CCC(C)(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001733453883 1429668670 /nfs/dbraw/zinc/66/86/70/1429668670.db2.gz YZMHICFVBIVDHO-UHFFFAOYSA-N 1 3 345.531 3.054 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175754 1424710050 /nfs/dbraw/zinc/71/00/50/1424710050.db2.gz PQFYCESHLCAYGC-GHTZIAJQSA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175754 1424710055 /nfs/dbraw/zinc/71/00/55/1424710055.db2.gz PQFYCESHLCAYGC-GHTZIAJQSA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175754 1424710060 /nfs/dbraw/zinc/71/00/60/1424710060.db2.gz PQFYCESHLCAYGC-GHTZIAJQSA-N 1 3 343.515 3.032 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001724753128 1425123510 /nfs/dbraw/zinc/12/35/10/1425123510.db2.gz YFVKBZXTZNEWDM-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1 ZINC001724796986 1425164472 /nfs/dbraw/zinc/16/44/72/1425164472.db2.gz PGIIHLVDPGJYNK-IBGZPJMESA-N 1 3 347.547 3.378 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)cc1 ZINC001725074863 1425515389 /nfs/dbraw/zinc/51/53/89/1425515389.db2.gz AIHXLCAUNUFXCL-UHFFFAOYSA-N 1 3 345.531 3.135 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172342 1425683037 /nfs/dbraw/zinc/68/30/37/1425683037.db2.gz LBJNFERCKPTTNT-MSOLQXFVSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001725172342 1425683039 /nfs/dbraw/zinc/68/30/39/1425683039.db2.gz LBJNFERCKPTTNT-MSOLQXFVSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001725229056 1425799549 /nfs/dbraw/zinc/79/95/49/1425799549.db2.gz KDVLXEOOXKEFKR-INIZCTEOSA-N 1 3 348.535 3.352 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725361766 1426012433 /nfs/dbraw/zinc/01/24/33/1426012433.db2.gz XXGLBFVZIYVCBC-NCXUSEDFSA-N 1 3 349.563 3.172 10 0 EGAEHO CC1CCC(C[NH2+]C[C@H](C2CC2)N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001725450150 1426115823 /nfs/dbraw/zinc/11/58/23/1426115823.db2.gz AHKVHNAKPJXMHF-LBXVMSDZSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001725725159 1426384222 /nfs/dbraw/zinc/38/42/22/1426384222.db2.gz HTGYXVBIIYAZOV-IBGZPJMESA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001725725159 1426384231 /nfs/dbraw/zinc/38/42/31/1426384231.db2.gz HTGYXVBIIYAZOV-IBGZPJMESA-N 1 3 349.563 3.220 10 0 EGAEHO CC[C@@H](C(=O)N(C)C1CC(NCc2ccccc2F)C1)[NH+](CC)CC ZINC001725786696 1426472932 /nfs/dbraw/zinc/47/29/32/1426472932.db2.gz NTCIKFOQZVUWKR-TVPLGVNVSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295501 1427237765 /nfs/dbraw/zinc/23/77/65/1427237765.db2.gz DWUGIKLDOPBUQW-AEFFLSMTSA-N 1 3 337.552 3.122 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001731298781 1427241338 /nfs/dbraw/zinc/24/13/38/1427241338.db2.gz ZNPPBYFHHUBCSM-AZUAARDMSA-N 1 3 345.531 3.194 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001731493079 1427467410 /nfs/dbraw/zinc/46/74/10/1427467410.db2.gz MGFYZCTYAMKURO-HDICACEKSA-N 1 3 331.504 3.035 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001731548861 1427566073 /nfs/dbraw/zinc/56/60/73/1427566073.db2.gz JYJZXOLXVUZMHQ-OALUTQOASA-N 1 3 335.536 3.020 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@H]1CCCN1C(C)C)CC1CC(C)(C)C1 ZINC001731864459 1428109981 /nfs/dbraw/zinc/10/99/81/1428109981.db2.gz JRZJWDKWDYUADO-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@H]1CCCN1C(C)C)CC1CC(C)(C)C1 ZINC001731864459 1428109983 /nfs/dbraw/zinc/10/99/83/1428109983.db2.gz JRZJWDKWDYUADO-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001731879768 1428149463 /nfs/dbraw/zinc/14/94/63/1428149463.db2.gz FOJBIPDTKOFYEU-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001731879768 1428149464 /nfs/dbraw/zinc/14/94/64/1428149464.db2.gz FOJBIPDTKOFYEU-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)N1CCCCC1 ZINC001733677286 1429873961 /nfs/dbraw/zinc/87/39/61/1429873961.db2.gz NBHFDXLYENQLEX-UHFFFAOYSA-N 1 3 345.531 3.409 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)N1CCCCC1 ZINC001733677286 1429873971 /nfs/dbraw/zinc/87/39/71/1429873971.db2.gz NBHFDXLYENQLEX-UHFFFAOYSA-N 1 3 345.531 3.409 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001733761715 1429976962 /nfs/dbraw/zinc/97/69/62/1429976962.db2.gz YOGHOUMZKXHZRU-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)C)CC1 ZINC001733761715 1429976964 /nfs/dbraw/zinc/97/69/64/1429976964.db2.gz YOGHOUMZKXHZRU-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766145 1429988076 /nfs/dbraw/zinc/98/80/76/1429988076.db2.gz CBZLAPAOWJZIPJ-QUCCMNQESA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766145 1429988079 /nfs/dbraw/zinc/98/80/79/1429988079.db2.gz CBZLAPAOWJZIPJ-QUCCMNQESA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)CN2CCCC2)c1 ZINC001733780648 1430042185 /nfs/dbraw/zinc/04/21/85/1430042185.db2.gz LRSJMOMERUXIKN-IBGZPJMESA-N 1 3 345.531 3.241 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)c1 ZINC001733780648 1430042191 /nfs/dbraw/zinc/04/21/91/1430042191.db2.gz LRSJMOMERUXIKN-IBGZPJMESA-N 1 3 345.531 3.241 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001733782531 1430049176 /nfs/dbraw/zinc/04/91/76/1430049176.db2.gz JXGWCGHSLIKNGB-PMACEKPBSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001733782531 1430049181 /nfs/dbraw/zinc/04/91/81/1430049181.db2.gz JXGWCGHSLIKNGB-PMACEKPBSA-N 1 3 349.563 3.077 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733812352 1430090581 /nfs/dbraw/zinc/09/05/81/1430090581.db2.gz IJUJZNDKEKZADA-HTQXOKQJSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733812352 1430090588 /nfs/dbraw/zinc/09/05/88/1430090588.db2.gz IJUJZNDKEKZADA-HTQXOKQJSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@@H](c1ccccc1F)N1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877436 1437704608 /nfs/dbraw/zinc/70/46/08/1437704608.db2.gz YYZAKWBGLVKVHN-MAUKXSAKSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232916 1437951371 /nfs/dbraw/zinc/95/13/71/1437951371.db2.gz HJXYVTPLYPVFKN-WMZOPIPTSA-N 1 3 337.552 3.170 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001734485004 1438128578 /nfs/dbraw/zinc/12/85/78/1438128578.db2.gz IUWAEXIWSMISQS-QZTJIDSGSA-N 1 3 344.503 3.026 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001734550554 1438147616 /nfs/dbraw/zinc/14/76/16/1438147616.db2.gz IETONHXWNFRZKG-RTBURBONSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001734550554 1438147617 /nfs/dbraw/zinc/14/76/17/1438147617.db2.gz IETONHXWNFRZKG-RTBURBONSA-N 1 3 345.531 3.258 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001734635113 1438195341 /nfs/dbraw/zinc/19/53/41/1438195341.db2.gz AVOSPLXLXOEPNG-SFHVURJKSA-N 1 3 343.515 3.146 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+]([C@@H](C)c2ccccc2C)CC1 ZINC001734635113 1438195343 /nfs/dbraw/zinc/19/53/43/1438195343.db2.gz AVOSPLXLXOEPNG-SFHVURJKSA-N 1 3 343.515 3.146 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001750930669 1440112616 /nfs/dbraw/zinc/11/26/16/1440112616.db2.gz NYJVOJSPFQAPPD-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001750930669 1440112617 /nfs/dbraw/zinc/11/26/17/1440112617.db2.gz NYJVOJSPFQAPPD-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000103227998 204068151 /nfs/dbraw/zinc/06/81/51/204068151.db2.gz KWCHKDTTXUVGTM-FQEVSTJZSA-N 1 3 348.531 3.006 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000103227998 204068155 /nfs/dbraw/zinc/06/81/55/204068155.db2.gz KWCHKDTTXUVGTM-FQEVSTJZSA-N 1 3 348.531 3.006 10 0 EGAEHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[C@H](C)O1 ZINC000175982732 207179841 /nfs/dbraw/zinc/17/98/41/207179841.db2.gz YAIKAUGNFIUNRB-IRXDYDNUSA-N 1 3 342.487 3.056 10 0 EGAEHO C[C@H](c1ccc(F)cc1F)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246998226 141048340 /nfs/dbraw/zinc/04/83/40/141048340.db2.gz BHGSZMBMZPTHGS-UONOGXRCSA-N 1 3 326.431 3.050 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353454384 141299739 /nfs/dbraw/zinc/29/97/39/141299739.db2.gz JNJQVAYHSKLJRT-INDMIFKZSA-N 1 3 331.504 3.269 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353454384 141299741 /nfs/dbraw/zinc/29/97/41/141299741.db2.gz JNJQVAYHSKLJRT-INDMIFKZSA-N 1 3 331.504 3.269 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353454384 141299744 /nfs/dbraw/zinc/29/97/44/141299744.db2.gz JNJQVAYHSKLJRT-INDMIFKZSA-N 1 3 331.504 3.269 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000353456356 141300668 /nfs/dbraw/zinc/30/06/68/141300668.db2.gz VPSYYUHCMWFKAH-GBESFXJTSA-N 1 3 329.488 3.365 10 0 EGAEHO Cc1cc(F)ccc1N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248748080 163032317 /nfs/dbraw/zinc/03/23/17/163032317.db2.gz BLDWDQUQCUWBPI-QBUWPKIASA-N 1 3 331.479 3.318 10 0 EGAEHO Cc1cc(F)ccc1N1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248748080 163032320 /nfs/dbraw/zinc/03/23/20/163032320.db2.gz BLDWDQUQCUWBPI-QBUWPKIASA-N 1 3 331.479 3.318 10 0 EGAEHO CN1CC[C@@H]([NH2+]CC[C@H]2CCCCN2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352103367 165237174 /nfs/dbraw/zinc/23/71/74/165237174.db2.gz OAABXSNXFWCSJH-ATZDWAIDSA-N 1 3 337.458 3.174 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000250077411 266261952 /nfs/dbraw/zinc/26/19/52/266261952.db2.gz ORWRBKIUAQTITA-SESVDKBCSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929498 274246365 /nfs/dbraw/zinc/24/63/65/274246365.db2.gz CUSVKPCVTSSBKV-VQIMIIECSA-N 1 3 328.456 3.376 10 0 EGAEHO C[C@@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929498 274246366 /nfs/dbraw/zinc/24/63/66/274246366.db2.gz CUSVKPCVTSSBKV-VQIMIIECSA-N 1 3 328.456 3.376 10 0 EGAEHO CCCCOC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195184140 275231100 /nfs/dbraw/zinc/23/11/00/275231100.db2.gz BDYWUGZZJMLZQY-AZUAARDMSA-N 1 3 340.552 3.141 10 0 EGAEHO CCCCOC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000195184140 275231101 /nfs/dbraw/zinc/23/11/01/275231101.db2.gz BDYWUGZZJMLZQY-AZUAARDMSA-N 1 3 340.552 3.141 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000248178089 276229327 /nfs/dbraw/zinc/22/93/27/276229327.db2.gz VYYRENNSYRKYHC-LSTDLKDCSA-N 1 3 335.561 3.451 10 0 EGAEHO Cc1ccc2nccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000354577742 281170183 /nfs/dbraw/zinc/17/01/83/281170183.db2.gz XYYGBTBDEXLDHV-YLJYHZDGSA-N 1 3 338.499 3.005 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)[C@H](C)N ZINC000415011457 309114315 /nfs/dbraw/zinc/11/43/15/309114315.db2.gz HVUNDJVTLLQRRR-SBMIAAHKSA-N 1 3 344.299 3.384 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccccc1C(=O)N(C)C ZINC000417862869 309225693 /nfs/dbraw/zinc/22/56/93/309225693.db2.gz DLEWVTPIBRERBO-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccccc1C(=O)N(C)C ZINC000417862869 309225694 /nfs/dbraw/zinc/22/56/94/309225694.db2.gz DLEWVTPIBRERBO-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418427351 309245794 /nfs/dbraw/zinc/24/57/94/309245794.db2.gz LCIDGJSAOGDDDX-GOSISDBHSA-N 1 3 346.519 3.030 10 0 EGAEHO COc1ccc([C@H](CN)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420405437 309286653 /nfs/dbraw/zinc/28/66/53/309286653.db2.gz MVXFZVUSFSFVHP-SBHAEUEKSA-N 1 3 340.467 3.105 10 0 EGAEHO CSc1ccccc1NC(=O)CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420405801 309286713 /nfs/dbraw/zinc/28/67/13/309286713.db2.gz UBPGXKBNFGLPHQ-DOTOQJQBSA-N 1 3 347.528 3.201 10 0 EGAEHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422700252 309363909 /nfs/dbraw/zinc/36/39/09/309363909.db2.gz BVCAJCJSHZZTKJ-UXHICEINSA-N 1 3 325.456 3.410 10 0 EGAEHO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cnccc1N)Cc1ccccc1 ZINC000422835679 309371053 /nfs/dbraw/zinc/37/10/53/309371053.db2.gz PYTIKSRGBVNNCB-WMZOPIPTSA-N 1 3 326.488 3.098 10 0 EGAEHO Fc1cc(F)cc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839657 309371411 /nfs/dbraw/zinc/37/14/11/309371411.db2.gz ABIVLOGECFKAFM-UYAOXDASSA-N 1 3 344.405 3.353 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843018 309371527 /nfs/dbraw/zinc/37/15/27/309371527.db2.gz GSCYNTDSHRAILO-INIZCTEOSA-N 1 3 339.483 3.248 10 0 EGAEHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1cnccc1N ZINC000422889102 309374522 /nfs/dbraw/zinc/37/45/22/309374522.db2.gz FDILPIPIUAQTLF-INIZCTEOSA-N 1 3 342.487 3.066 10 0 EGAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069312 309384257 /nfs/dbraw/zinc/38/42/57/309384257.db2.gz DQQULAQYQQQHRU-OIISXLGYSA-N 1 3 340.458 3.016 10 0 EGAEHO COc1ccc([C@H](NC[C@H]2CCCCN2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423077109 309384725 /nfs/dbraw/zinc/38/47/25/309384725.db2.gz SMPFLBXBRYKTIT-GIVPXCGWSA-N 1 3 343.515 3.095 10 0 EGAEHO CC(C)(C)CC[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093139 309385523 /nfs/dbraw/zinc/38/55/23/309385523.db2.gz FZDFGGNYJGVKLJ-SYNHAJSKSA-N 1 3 332.488 3.019 10 0 EGAEHO COC[C@@H](CCC[NH3+])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423102086 309385857 /nfs/dbraw/zinc/38/58/57/309385857.db2.gz JPXHFZGDJCNTOH-CQSZACIVSA-N 1 3 339.892 3.307 10 0 EGAEHO COC[C@@H]1CCCN(CC(C)C[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452107915 310212557 /nfs/dbraw/zinc/21/25/57/310212557.db2.gz TWFDRLROTULFBX-WOJBJXKFSA-N 1 3 340.552 3.120 10 0 EGAEHO COC[C@@H]1CCCN(CC(C)C[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452107915 310212558 /nfs/dbraw/zinc/21/25/58/310212558.db2.gz TWFDRLROTULFBX-WOJBJXKFSA-N 1 3 340.552 3.120 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000462793066 310605867 /nfs/dbraw/zinc/60/58/67/310605867.db2.gz PUNXVCGYQWBSQT-XUVXKRRUSA-N 1 3 346.515 3.312 10 0 EGAEHO CCc1cccc(F)c1CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000474280554 310789564 /nfs/dbraw/zinc/78/95/64/310789564.db2.gz XATPZRPEQCNCQP-UHFFFAOYSA-N 1 3 347.522 3.379 10 0 EGAEHO C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000510934496 312150932 /nfs/dbraw/zinc/15/09/32/312150932.db2.gz QVAASKIWNJOUSN-LPHOPBHVSA-N 1 3 334.504 3.219 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000528015421 313000180 /nfs/dbraw/zinc/00/01/80/313000180.db2.gz XJTVQKDNTVCXPM-YLJYHZDGSA-N 1 3 345.531 3.295 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000579582876 325130164 /nfs/dbraw/zinc/13/01/64/325130164.db2.gz RUTAQRMQNKOFQV-XVLXNVKGSA-N 1 3 346.515 3.155 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000579582876 325130166 /nfs/dbraw/zinc/13/01/66/325130166.db2.gz RUTAQRMQNKOFQV-XVLXNVKGSA-N 1 3 346.515 3.155 10 0 EGAEHO C[C@H](Cc1ccsc1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000581871898 325394746 /nfs/dbraw/zinc/39/47/46/325394746.db2.gz XDDOSBPLYNJOKO-QGZVFWFLSA-N 1 3 344.524 3.296 10 0 EGAEHO CSc1ccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534566 460600087 /nfs/dbraw/zinc/60/00/87/460600087.db2.gz UOIVRILXCZVGAL-WMZOPIPTSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534566 460600091 /nfs/dbraw/zinc/60/00/91/460600091.db2.gz UOIVRILXCZVGAL-WMZOPIPTSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N(C)C)cc1 ZINC000623534566 460600095 /nfs/dbraw/zinc/60/00/95/460600095.db2.gz UOIVRILXCZVGAL-WMZOPIPTSA-N 1 3 335.561 3.474 10 0 EGAEHO CN(C)C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000044277399 454094358 /nfs/dbraw/zinc/09/43/58/454094358.db2.gz WIRFVFHIKPYEEK-LJQANCHMSA-N 1 3 340.471 3.173 10 0 EGAEHO CC(C)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)c(F)c1 ZINC000181937531 455401862 /nfs/dbraw/zinc/40/18/62/455401862.db2.gz NWHRVKPBPNEOTE-LJQANCHMSA-N 1 3 339.474 3.278 10 0 EGAEHO CN1CCC(C[N@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000120265669 454279184 /nfs/dbraw/zinc/27/91/84/454279184.db2.gz MGBSKMLMCGYYGO-UHFFFAOYSA-N 1 3 332.488 3.416 10 0 EGAEHO CN1CCC(C[N@@H+](C)Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000120265669 454279188 /nfs/dbraw/zinc/27/91/88/454279188.db2.gz MGBSKMLMCGYYGO-UHFFFAOYSA-N 1 3 332.488 3.416 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081095172 454684961 /nfs/dbraw/zinc/68/49/61/454684961.db2.gz OSCZJEJDNYFADX-AEFFLSMTSA-N 1 3 342.487 3.331 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081095172 454684967 /nfs/dbraw/zinc/68/49/67/454684967.db2.gz OSCZJEJDNYFADX-AEFFLSMTSA-N 1 3 342.487 3.331 10 0 EGAEHO C[C@@H](CCNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCCCC1 ZINC000182253800 455473038 /nfs/dbraw/zinc/47/30/38/455473038.db2.gz FLOPTJSRROEPMZ-SFHVURJKSA-N 1 3 343.515 3.277 10 0 EGAEHO Cc1cc2c(cc1C)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCCO2 ZINC000154391147 454891355 /nfs/dbraw/zinc/89/13/55/454891355.db2.gz BVPDKNRRPNQRAR-FQEVSTJZSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000180461821 455174443 /nfs/dbraw/zinc/17/44/43/455174443.db2.gz HOJOIOMUOYDJNY-IEBWSBKVSA-N 1 3 349.906 3.074 10 0 EGAEHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)C[C@H]1CCC=CO1 ZINC000248878569 455736453 /nfs/dbraw/zinc/73/64/53/455736453.db2.gz KDFQHRKCGUBECY-RTWAWAEBSA-N 1 3 344.499 3.057 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)C[C@H]1CCC=CO1 ZINC000248878569 455736455 /nfs/dbraw/zinc/73/64/55/455736455.db2.gz KDFQHRKCGUBECY-RTWAWAEBSA-N 1 3 344.499 3.057 10 0 EGAEHO COc1ccc(CCN(CC(C)C)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000262042058 455989276 /nfs/dbraw/zinc/98/92/76/455989276.db2.gz PFNZOVUEBJRIDS-FQEVSTJZSA-N 1 3 334.504 3.204 10 0 EGAEHO CCCc1cc(N2CCN(C[C@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000301769063 456209943 /nfs/dbraw/zinc/20/99/43/456209943.db2.gz CQSNWMMWXDLXDM-QGZVFWFLSA-N 1 3 327.472 3.080 10 0 EGAEHO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000352836771 456350889 /nfs/dbraw/zinc/35/08/89/456350889.db2.gz XNOJMAFLQGFCCQ-APWZRJJASA-N 1 3 343.515 3.060 10 0 EGAEHO Cn1nccc1-c1ccccc1CNCC1(C[NH+](C)C)CCCC1 ZINC000352905432 456404148 /nfs/dbraw/zinc/40/41/48/456404148.db2.gz XWQFITVWDBWTQK-UHFFFAOYSA-N 1 3 326.488 3.299 10 0 EGAEHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340377044 456422695 /nfs/dbraw/zinc/42/26/95/456422695.db2.gz JSZPIFHXAKWIOA-FPOVZHCZSA-N 1 3 345.531 3.450 10 0 EGAEHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450143 456469535 /nfs/dbraw/zinc/46/95/35/456469535.db2.gz GSKPAFLOBGTTKL-BXWFABGCSA-N 1 3 325.456 3.348 10 0 EGAEHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450143 456469542 /nfs/dbraw/zinc/46/95/42/456469542.db2.gz GSKPAFLOBGTTKL-BXWFABGCSA-N 1 3 325.456 3.348 10 0 EGAEHO C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340450146 456469961 /nfs/dbraw/zinc/46/99/61/456469961.db2.gz GSKPAFLOBGTTKL-FRQCXROJSA-N 1 3 325.456 3.348 10 0 EGAEHO C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340450146 456469963 /nfs/dbraw/zinc/46/99/63/456469963.db2.gz GSKPAFLOBGTTKL-FRQCXROJSA-N 1 3 325.456 3.348 10 0 EGAEHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000338002727 456649969 /nfs/dbraw/zinc/64/99/69/456649969.db2.gz ZDHOQTRJOFDBNC-RTWAWAEBSA-N 1 3 328.500 3.312 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283382826 456769928 /nfs/dbraw/zinc/76/99/28/456769928.db2.gz OWUFAKMKMUVGOC-GIVPXCGWSA-N 1 3 329.532 3.186 10 0 EGAEHO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000341272761 456828505 /nfs/dbraw/zinc/82/85/05/456828505.db2.gz PRLUGKGEOSBSHZ-RBUKOAKNSA-N 1 3 346.515 3.454 10 0 EGAEHO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000341272758 456828868 /nfs/dbraw/zinc/82/88/68/456828868.db2.gz PRLUGKGEOSBSHZ-MOPGFXCFSA-N 1 3 346.515 3.454 10 0 EGAEHO CS[C@H]1CC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000425363756 457520085 /nfs/dbraw/zinc/52/00/85/457520085.db2.gz YAVOLEBIGIDKBX-UXHICEINSA-N 1 3 347.572 3.068 10 0 EGAEHO CN1CCC(C[NH2+][C@@H]2CCC[C@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517679 457647365 /nfs/dbraw/zinc/64/73/65/457647365.db2.gz DFESLMWSHSBTOJ-RBUKOAKNSA-N 1 3 339.543 3.445 10 0 EGAEHO Cc1nc2ccccc2n1CCCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000361295364 457682824 /nfs/dbraw/zinc/68/28/24/457682824.db2.gz JOLHYMSSSDNINA-GOSISDBHSA-N 1 3 328.504 3.399 10 0 EGAEHO COC(=O)c1ccccc1CC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361407109 457720272 /nfs/dbraw/zinc/72/02/72/457720272.db2.gz CJQXJIIQFBZBDS-IBGZPJMESA-N 1 3 344.499 3.212 10 0 EGAEHO COC(=O)c1ccccc1CC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000361407109 457720274 /nfs/dbraw/zinc/72/02/74/457720274.db2.gz CJQXJIIQFBZBDS-IBGZPJMESA-N 1 3 344.499 3.212 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C[C@H](C)O1 ZINC000361889982 457934067 /nfs/dbraw/zinc/93/40/67/457934067.db2.gz RZQAUBPIBRHZND-LJDSDSDDSA-N 1 3 338.536 3.061 10 0 EGAEHO C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000358386853 457969076 /nfs/dbraw/zinc/96/90/76/457969076.db2.gz TZITVOLKMYOYJR-HMQMGEFJSA-N 1 3 342.405 3.085 10 0 EGAEHO Cc1ccsc1[C@H](CO)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396696 457976996 /nfs/dbraw/zinc/97/69/96/457976996.db2.gz JAZFIOFHONWRCZ-YJBOKZPZSA-N 1 3 348.512 3.381 10 0 EGAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000428337086 458122766 /nfs/dbraw/zinc/12/27/66/458122766.db2.gz GOWGJZXNTLHRIF-DYESRHJHSA-N 1 3 345.531 3.324 10 0 EGAEHO CN1CC[C@]2(CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000428993556 458249930 /nfs/dbraw/zinc/24/99/30/458249930.db2.gz DGRQBBCBRCSBHN-FQEVSTJZSA-N 1 3 330.472 3.170 10 0 EGAEHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000428993556 458249933 /nfs/dbraw/zinc/24/99/33/458249933.db2.gz DGRQBBCBRCSBHN-FQEVSTJZSA-N 1 3 330.472 3.170 10 0 EGAEHO Cc1ccn(-c2ccccc2C[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000459434083 458370197 /nfs/dbraw/zinc/37/01/97/458370197.db2.gz CLTXZROHSWXPCI-UHFFFAOYSA-N 1 3 347.466 3.334 10 0 EGAEHO C[N@H+](Cc1ccccc1)C1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000423480199 458439225 /nfs/dbraw/zinc/43/92/25/458439225.db2.gz NEOPHJHKNULJDB-ABHNRTSZSA-N 1 3 337.458 3.016 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000423480199 458439228 /nfs/dbraw/zinc/43/92/28/458439228.db2.gz NEOPHJHKNULJDB-ABHNRTSZSA-N 1 3 337.458 3.016 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531368 458452113 /nfs/dbraw/zinc/45/21/13/458452113.db2.gz SPJACLNYBXWUMO-YOYNGHDBSA-N 1 3 332.532 3.325 10 0 EGAEHO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)NCCN(C)C ZINC000437788502 458493696 /nfs/dbraw/zinc/49/36/96/458493696.db2.gz UAMHRBCHNDJSAA-AABGKKOBSA-N 1 3 345.531 3.005 10 0 EGAEHO Cc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)N(C)C)cc1 ZINC000460199715 458505545 /nfs/dbraw/zinc/50/55/45/458505545.db2.gz DVSHWVOVLZLHSL-LJQANCHMSA-N 1 3 345.531 3.226 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486108 458505857 /nfs/dbraw/zinc/50/58/57/458505857.db2.gz QNORORVPMJTYNX-KZYLPZIUSA-N 1 3 345.453 3.008 10 0 EGAEHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486108 458505859 /nfs/dbraw/zinc/50/58/59/458505859.db2.gz QNORORVPMJTYNX-KZYLPZIUSA-N 1 3 345.453 3.008 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562325 458589233 /nfs/dbraw/zinc/58/92/33/458589233.db2.gz BVEPJWDBZIRATI-WOJBJXKFSA-N 1 3 345.531 3.450 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000431562325 458589238 /nfs/dbraw/zinc/58/92/38/458589238.db2.gz BVEPJWDBZIRATI-WOJBJXKFSA-N 1 3 345.531 3.450 10 0 EGAEHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCN(C)C(C)C)CC3 ZINC000546604058 458642620 /nfs/dbraw/zinc/64/26/20/458642620.db2.gz GPQDBVRJCQMYSW-HNNXBMFYSA-N 1 3 329.488 3.354 10 0 EGAEHO CCCOc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248725 458730147 /nfs/dbraw/zinc/73/01/47/458730147.db2.gz OOBLYSPJRJDGRS-HXUWFJFHSA-N 1 3 332.488 3.066 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000474479280 458888388 /nfs/dbraw/zinc/88/83/88/458888388.db2.gz NSZXOIHZTZGOHI-FQEVSTJZSA-N 1 3 331.548 3.432 10 0 EGAEHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475146832 458924047 /nfs/dbraw/zinc/92/40/47/458924047.db2.gz ZEYAYXWNMMXKKR-UFYCRDLUSA-N 1 3 345.531 3.210 10 0 EGAEHO CCC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000519603676 458972491 /nfs/dbraw/zinc/97/24/91/458972491.db2.gz ULZJJZVFWRUOFB-LMMKCTJWSA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@H]([NH2+]C1(CN[C@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812915 459098494 /nfs/dbraw/zinc/09/84/94/459098494.db2.gz AWNRUORZZJAXQN-WMZOPIPTSA-N 1 3 343.515 3.297 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000558652246 459188820 /nfs/dbraw/zinc/18/88/20/459188820.db2.gz HZVKPPRNWQEADA-QZTJIDSGSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000558652246 459188824 /nfs/dbraw/zinc/18/88/24/459188824.db2.gz HZVKPPRNWQEADA-QZTJIDSGSA-N 1 3 343.515 3.019 10 0 EGAEHO NCc1cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625483 459232520 /nfs/dbraw/zinc/23/25/20/459232520.db2.gz ZIALZMRKCWNGKB-HUUCEWRRSA-N 1 3 343.393 3.400 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)C1 ZINC000560531374 459368301 /nfs/dbraw/zinc/36/83/01/459368301.db2.gz XRWYPMRYKCWAFS-RQSWOZRGSA-N 1 3 327.516 3.284 10 0 EGAEHO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000560539360 459369771 /nfs/dbraw/zinc/36/97/71/459369771.db2.gz IKTRBRWSPJODBJ-AQNXPRMDSA-N 1 3 346.515 3.373 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCCCNC1 ZINC000582653722 459402346 /nfs/dbraw/zinc/40/23/46/459402346.db2.gz GFDKDZUGHPQKRY-OLZOCXBDSA-N 1 3 343.393 3.154 10 0 EGAEHO CN1CCC(C[NH2+]C2CCC3(CCCO3)CC2)(N2CCCCC2)CC1 ZINC000573177991 459637221 /nfs/dbraw/zinc/63/72/21/459637221.db2.gz MQFKMSROCOSXLB-UHFFFAOYSA-N 1 3 349.563 3.018 10 0 EGAEHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014592 459796658 /nfs/dbraw/zinc/79/66/58/459796658.db2.gz QIEVRUZKJJRTOU-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014592 459796664 /nfs/dbraw/zinc/79/66/64/459796664.db2.gz QIEVRUZKJJRTOU-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[NH+]1CCC(CCNCc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597061434 459828708 /nfs/dbraw/zinc/82/87/08/459828708.db2.gz ODOXBKVEIKFZRJ-UHFFFAOYSA-N 1 3 338.879 3.338 10 0 EGAEHO NC1(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CCOCC1 ZINC000629388034 460746193 /nfs/dbraw/zinc/74/61/93/460746193.db2.gz PWPFKMIHPWHFRW-UHFFFAOYSA-N 1 3 344.430 3.002 10 0 EGAEHO CN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624271923 460942327 /nfs/dbraw/zinc/94/23/27/460942327.db2.gz MSBYHFVWGWJFAC-BURNTYAHSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@@]1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)CCCS1 ZINC000628205362 461048638 /nfs/dbraw/zinc/04/86/38/461048638.db2.gz MHRHWGJHYJUVSC-FQEVSTJZSA-N 1 3 347.572 3.464 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCOc2cccc(Cl)c2)C1 ZINC000652360327 461154268 /nfs/dbraw/zinc/15/42/68/461154268.db2.gz FLYMBDHZPWSDBY-KBAYOESNSA-N 1 3 338.879 3.080 10 0 EGAEHO C[C@H]1CC2(CN1Cc1cccc(F)c1OC(F)F)CC[NH2+]CC2 ZINC000662283867 461164701 /nfs/dbraw/zinc/16/47/01/461164701.db2.gz QTQKAYVSVXSLQZ-LBPRGKRZSA-N 1 3 328.378 3.391 10 0 EGAEHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293248 461171014 /nfs/dbraw/zinc/17/10/14/461171014.db2.gz FAOBRXVMQRLIDT-LPHOPBHVSA-N 1 3 343.515 3.288 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)F)c1 ZINC000665932285 461357791 /nfs/dbraw/zinc/35/77/91/461357791.db2.gz MTHXFNLLZBNOHT-ZDUSSCGKSA-N 1 3 342.434 3.018 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)F)c1 ZINC000665932285 461357800 /nfs/dbraw/zinc/35/78/00/461357800.db2.gz MTHXFNLLZBNOHT-ZDUSSCGKSA-N 1 3 342.434 3.018 10 0 EGAEHO C[C@H]1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CS1 ZINC000655701761 461374306 /nfs/dbraw/zinc/37/43/06/461374306.db2.gz ZLNCKRQSOCSILU-OALUTQOASA-N 1 3 347.572 3.463 10 0 EGAEHO c1c(CNCC2CC[NH+](Cc3ccccc3)CC2)nn2c1CCCC2 ZINC000655718690 461386199 /nfs/dbraw/zinc/38/61/99/461386199.db2.gz PJTMFGFSSUPENK-UHFFFAOYSA-N 1 3 338.499 3.221 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)CC1 ZINC000649894507 461429220 /nfs/dbraw/zinc/42/92/20/461429220.db2.gz NGMODGBYHMAWPQ-GOSISDBHSA-N 1 3 347.522 3.203 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)CC1 ZINC000649894507 461429223 /nfs/dbraw/zinc/42/92/23/461429223.db2.gz NGMODGBYHMAWPQ-GOSISDBHSA-N 1 3 347.522 3.203 10 0 EGAEHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCCc3c(F)cccc3F)CC2)C1 ZINC000655940656 461547782 /nfs/dbraw/zinc/54/77/82/461547782.db2.gz VHXASQAJLBZQQP-HNAYVOBHSA-N 1 3 338.442 3.116 10 0 EGAEHO CN1CCC(C[NH2+]C2CCC(F)(F)CC2)(N2CCCCC2)CC1 ZINC000647187048 461553009 /nfs/dbraw/zinc/55/30/09/461553009.db2.gz BPVIADHNGVNZGQ-UHFFFAOYSA-N 1 3 329.479 3.104 10 0 EGAEHO Cc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000666348316 461584646 /nfs/dbraw/zinc/58/46/46/461584646.db2.gz ZIWGTFODNRAACO-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO Cc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000666348316 461584657 /nfs/dbraw/zinc/58/46/57/461584657.db2.gz ZIWGTFODNRAACO-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2cnc(C3CC3)s2)[C@H](c2ccccc2)C1 ZINC000647249244 461587726 /nfs/dbraw/zinc/58/77/26/461587726.db2.gz MRDOVXCTLHXYLL-AEFFLSMTSA-N 1 3 327.497 3.456 10 0 EGAEHO CC[N@H+](CCC1CCN(CCO[C@H]2CC2(F)F)CC1)CC1CC1 ZINC000660168624 461620381 /nfs/dbraw/zinc/62/03/81/461620381.db2.gz WLJHNUCGGRPFMY-KRWDZBQOSA-N 1 3 330.463 3.245 10 0 EGAEHO CC[N@@H+](CCC1CCN(CCO[C@H]2CC2(F)F)CC1)CC1CC1 ZINC000660168624 461620386 /nfs/dbraw/zinc/62/03/86/461620386.db2.gz WLJHNUCGGRPFMY-KRWDZBQOSA-N 1 3 330.463 3.245 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCO4)[C@@H]3C2)cc1 ZINC000639036495 461683351 /nfs/dbraw/zinc/68/33/51/461683351.db2.gz ANOKPHYDRKBVKC-BQJUDKOJSA-N 1 3 328.500 3.446 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1csc2ccccc12 ZINC000666606389 461717190 /nfs/dbraw/zinc/71/71/90/461717190.db2.gz XKGAEODSUDWVSU-AWEZNQCLSA-N 1 3 348.516 3.295 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1csc2ccccc12 ZINC000666606389 461717198 /nfs/dbraw/zinc/71/71/98/461717198.db2.gz XKGAEODSUDWVSU-AWEZNQCLSA-N 1 3 348.516 3.295 10 0 EGAEHO Cc1nn(-c2ccccc2)cc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784768 461893829 /nfs/dbraw/zinc/89/38/29/461893829.db2.gz HDSSUQDXSDJGLD-IBGZPJMESA-N 1 3 338.499 3.392 10 0 EGAEHO Cc1ncc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)n1-c1ccccc1 ZINC000656786712 461897996 /nfs/dbraw/zinc/89/79/96/461897996.db2.gz WWHHJZPPXLACCN-IBGZPJMESA-N 1 3 338.499 3.392 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786643 461898590 /nfs/dbraw/zinc/89/85/90/461898590.db2.gz VKNQWGSDTNFKDZ-INIZCTEOSA-N 1 3 342.512 3.417 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1c[nH]nc1-c1cccc(OC)c1 ZINC000650718222 461910059 /nfs/dbraw/zinc/91/00/59/461910059.db2.gz CXCOQVXJMXEOHB-UHFFFAOYSA-N 1 3 336.439 3.095 10 0 EGAEHO C(NCC1CC[NH+](C2CCOCC2)CC1)c1nc2c(s1)CCCC2 ZINC000657534525 462171079 /nfs/dbraw/zinc/17/10/79/462171079.db2.gz AMIKHOBPMHKPLN-UHFFFAOYSA-N 1 3 349.544 3.003 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000657594692 462197969 /nfs/dbraw/zinc/19/79/69/462197969.db2.gz KKCHYOLQKMYTFR-QFIPXVFZSA-N 1 3 338.495 3.468 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000657594692 462197977 /nfs/dbraw/zinc/19/79/77/462197977.db2.gz KKCHYOLQKMYTFR-QFIPXVFZSA-N 1 3 338.495 3.468 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)cc3)cc2)C1 ZINC000657594713 462198098 /nfs/dbraw/zinc/19/80/98/462198098.db2.gz SKZSGPVUVLREDM-LJQANCHMSA-N 1 3 330.859 3.196 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)cc3)cc2)C1 ZINC000657594713 462198105 /nfs/dbraw/zinc/19/81/05/462198105.db2.gz SKZSGPVUVLREDM-LJQANCHMSA-N 1 3 330.859 3.196 10 0 EGAEHO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657597006 462199506 /nfs/dbraw/zinc/19/95/06/462199506.db2.gz QPRIOYWCGMNBEV-AVRDEDQJSA-N 1 3 338.495 3.282 10 0 EGAEHO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648739616 462254664 /nfs/dbraw/zinc/25/46/64/462254664.db2.gz GJSSLVRUQFUSMX-AZUAARDMSA-N 1 3 334.504 3.168 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667821204 462278470 /nfs/dbraw/zinc/27/84/70/462278470.db2.gz XSBHSLCOWOQKSZ-FPOVZHCZSA-N 1 3 344.499 3.064 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677525 462300915 /nfs/dbraw/zinc/30/09/15/462300915.db2.gz LBPUGMNOTWSAFZ-CZUORRHYSA-N 1 3 339.886 3.082 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753342 462325949 /nfs/dbraw/zinc/32/59/49/462325949.db2.gz NRBNDKMOYBHQLC-ZFWWWQNUSA-N 1 3 328.859 3.413 10 0 EGAEHO C[N@@H+]1CCN(CCN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1(C)C ZINC000651794263 462336413 /nfs/dbraw/zinc/33/64/13/462336413.db2.gz NVXIOLYBTNUIDU-OAHLLOKOSA-N 1 3 339.886 3.082 10 0 EGAEHO C[N@H+]1CCN(CCN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1(C)C ZINC000651794263 462336418 /nfs/dbraw/zinc/33/64/18/462336418.db2.gz NVXIOLYBTNUIDU-OAHLLOKOSA-N 1 3 339.886 3.082 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000658093641 462379668 /nfs/dbraw/zinc/37/96/68/462379668.db2.gz CLORBDYNWJTILZ-LSTHTHJFSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000658093641 462379672 /nfs/dbraw/zinc/37/96/72/462379672.db2.gz CLORBDYNWJTILZ-LSTHTHJFSA-N 1 3 338.536 3.061 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)cc2)C1 ZINC000658135398 462399044 /nfs/dbraw/zinc/39/90/44/462399044.db2.gz DLQGLRKGBLZQEK-AQNXPRMDSA-N 1 3 334.479 3.261 10 0 EGAEHO C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138770 462402507 /nfs/dbraw/zinc/40/25/07/462402507.db2.gz NXCVXEZJQRCAJR-OXQOHEQNSA-N 1 3 344.524 3.426 10 0 EGAEHO Cc1cccc2c1CC[C@@H]2NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139980 462403346 /nfs/dbraw/zinc/40/33/46/462403346.db2.gz PCBZNNXUXBPNHL-UGKGYDQZSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1cccc2c1CC[C@@H]2NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139980 462403348 /nfs/dbraw/zinc/40/33/48/462403348.db2.gz PCBZNNXUXBPNHL-UGKGYDQZSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658141778 462405500 /nfs/dbraw/zinc/40/55/00/462405500.db2.gz UOENIQXOBPJIJI-YJBOKZPZSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658141778 462405508 /nfs/dbraw/zinc/40/55/08/462405508.db2.gz UOENIQXOBPJIJI-YJBOKZPZSA-N 1 3 330.497 3.474 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144518 462406805 /nfs/dbraw/zinc/40/68/05/462406805.db2.gz MMQSJUBTLZCPDZ-QRWLVFNGSA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144518 462406810 /nfs/dbraw/zinc/40/68/10/462406810.db2.gz MMQSJUBTLZCPDZ-QRWLVFNGSA-N 1 3 328.431 3.243 10 0 EGAEHO CCCN1CC[C@@H]([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)C1 ZINC000658284880 462455188 /nfs/dbraw/zinc/45/51/88/462455188.db2.gz HJQGFFFHNVXMDG-WIYYLYMNSA-N 1 3 329.532 3.156 10 0 EGAEHO CN1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1(C)C ZINC000652196275 462468619 /nfs/dbraw/zinc/46/86/19/462468619.db2.gz NHDUUXZAXAJONL-HXUWFJFHSA-N 1 3 344.547 3.319 10 0 EGAEHO CCN(C(=O)CCC(C)(C)[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000649305785 462474622 /nfs/dbraw/zinc/47/46/22/462474622.db2.gz ARUBBNMTQXTXGL-AEFFLSMTSA-N 1 3 331.504 3.188 10 0 EGAEHO O[C@H]1CCN(C2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000662154966 462532396 /nfs/dbraw/zinc/53/23/96/462532396.db2.gz ZWYCWLICHIBCQC-KRWDZBQOSA-N 1 3 334.463 3.287 10 0 EGAEHO CCC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000131502578 528838973 /nfs/dbraw/zinc/83/89/73/528838973.db2.gz LQXMIGFLVRQVQX-FQEVSTJZSA-N 1 3 345.531 3.087 10 0 EGAEHO CCC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000131502578 528838980 /nfs/dbraw/zinc/83/89/80/528838980.db2.gz LQXMIGFLVRQVQX-FQEVSTJZSA-N 1 3 345.531 3.087 10 0 EGAEHO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658144339 548169927 /nfs/dbraw/zinc/16/99/27/548169927.db2.gz LRQADRPKIKRZPQ-FGZHOGPDSA-N 1 3 338.495 3.364 10 0 EGAEHO Cc1cc([C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C2CC2)ccc1F ZINC000678687441 576169439 /nfs/dbraw/zinc/16/94/39/576169439.db2.gz YSQWNENQJADZFO-NQIIRXRSSA-N 1 3 345.506 3.343 10 0 EGAEHO COc1ccc2cc([C@@H]3CN(CC4CC[NH2+]CC4)CCO3)ccc2c1 ZINC000071404239 1292268350 /nfs/dbraw/zinc/26/83/50/1292268350.db2.gz DHJIGQBOXREPPK-NRFANRHFSA-N 1 3 340.467 3.221 10 0 EGAEHO c1cc(COc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)ccn1 ZINC000075780427 1292411398 /nfs/dbraw/zinc/41/13/98/1292411398.db2.gz ABAAIFRQHMJKGX-IBGZPJMESA-N 1 3 337.467 3.235 10 0 EGAEHO CC(C)[NH+]1CCC(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000158225110 1294200316 /nfs/dbraw/zinc/20/03/16/1294200316.db2.gz HMUHVHBTUNGLGC-QGZVFWFLSA-N 1 3 339.524 3.238 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000872083800 1296723653 /nfs/dbraw/zinc/72/36/53/1296723653.db2.gz AAYHHRBZLOEVLE-HXUWFJFHSA-N 1 3 343.515 3.375 10 0 EGAEHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)CCCCCC[NH3+] ZINC000872155595 1296771340 /nfs/dbraw/zinc/77/13/40/1296771340.db2.gz SATQOXSABQNRJI-QGZVFWFLSA-N 1 3 346.519 3.065 10 0 EGAEHO CN1CCC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638652 1297096570 /nfs/dbraw/zinc/09/65/70/1297096570.db2.gz GGEIWYWIWPGVCX-ROUUACIJSA-N 1 3 347.503 3.326 10 0 EGAEHO c1cn2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)sc2n1 ZINC000892462346 1305386948 /nfs/dbraw/zinc/38/69/48/1305386948.db2.gz ODNYFFUZGBCPBO-UHFFFAOYSA-N 1 3 326.469 3.281 10 0 EGAEHO CN(C)Cc1ccc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc1C(F)(F)F ZINC000899671849 1317128889 /nfs/dbraw/zinc/12/88/89/1317128889.db2.gz FSBULIVUJOOZHL-GFCCVEGCSA-N 1 3 343.393 3.047 10 0 EGAEHO CN(C)Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1C(F)(F)F ZINC000899671849 1317128892 /nfs/dbraw/zinc/12/88/92/1317128892.db2.gz FSBULIVUJOOZHL-GFCCVEGCSA-N 1 3 343.393 3.047 10 0 EGAEHO Cc1cnc(Cl)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000921759782 1322394023 /nfs/dbraw/zinc/39/40/23/1322394023.db2.gz NGKPPHVASXUSKV-HUUCEWRRSA-N 1 3 325.884 3.022 10 0 EGAEHO CCOC(=O)c1oc2ccccc2c1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499014 1322762427 /nfs/dbraw/zinc/76/24/27/1322762427.db2.gz PYUOSTJWVNZRIB-ZIAGYGMSSA-N 1 3 330.428 3.026 10 0 EGAEHO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504116 1322764751 /nfs/dbraw/zinc/76/47/51/1322764751.db2.gz NYKYFQJTIJZBJF-HLLBOEOZSA-N 1 3 325.456 3.084 10 0 EGAEHO [NH3+]CCCCCCCN1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000923548363 1322774433 /nfs/dbraw/zinc/77/44/33/1322774433.db2.gz AJPIFHOKLIVAKJ-ZWKOTPCHSA-N 1 3 331.504 3.196 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000924704707 1323122673 /nfs/dbraw/zinc/12/26/73/1323122673.db2.gz HKSDQXGVDMQXSN-WFASDCNBSA-N 1 3 338.293 3.153 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccnn2C2CCC2)[C@H](C)C1 ZINC000925079680 1323271093 /nfs/dbraw/zinc/27/10/93/1323271093.db2.gz YIQJREZXKOBQDJ-LMMKCTJWSA-N 1 3 348.535 3.396 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(F)cc1 ZINC000925480527 1325168510 /nfs/dbraw/zinc/16/85/10/1325168510.db2.gz FVNGIAUVQNKQSA-VAMGGRTRSA-N 1 3 333.495 3.186 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000925487837 1325174260 /nfs/dbraw/zinc/17/42/60/1325174260.db2.gz XORGSFHPWJXGOC-UAFONNFLSA-N 1 3 349.469 3.157 10 0 EGAEHO [NH3+][C@@H]1C[C@H](NCC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498751 1325177595 /nfs/dbraw/zinc/17/75/95/1325177595.db2.gz SDOABQSPEGNXTP-CABCVRRESA-N 1 3 335.289 3.340 10 0 EGAEHO COc1ccc(COCCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925566096 1325213138 /nfs/dbraw/zinc/21/31/38/1325213138.db2.gz DCLZBVMOLJJISW-RTWAWAEBSA-N 1 3 346.515 3.360 10 0 EGAEHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774947 1325295009 /nfs/dbraw/zinc/29/50/09/1325295009.db2.gz APADKILXBXMRIZ-XJKSGUPXSA-N 1 3 334.414 3.076 10 0 EGAEHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925774947 1325295019 /nfs/dbraw/zinc/29/50/19/1325295019.db2.gz APADKILXBXMRIZ-XJKSGUPXSA-N 1 3 334.414 3.076 10 0 EGAEHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(F)c1 ZINC000925807584 1325310027 /nfs/dbraw/zinc/31/00/27/1325310027.db2.gz FOPCBIRNUFHISO-MRXNPFEDSA-N 1 3 327.447 3.082 10 0 EGAEHO CSC1(CN[C@H]2CCc3c2nccc3Cl)CC[NH+](C)CC1 ZINC000926447363 1325558174 /nfs/dbraw/zinc/55/81/74/1325558174.db2.gz BAYKNTLQHNJDCR-AWEZNQCLSA-N 1 3 325.909 3.139 10 0 EGAEHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000926686125 1327666284 /nfs/dbraw/zinc/66/62/84/1327666284.db2.gz NAFKNWMIZRXXLU-DLBZAZTESA-N 1 3 344.503 3.264 10 0 EGAEHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000863542837 1329561985 /nfs/dbraw/zinc/56/19/85/1329561985.db2.gz GZDAPGGOARZAQQ-LSTHTHJFSA-N 1 3 345.531 3.472 10 0 EGAEHO Cn1ncc2cc(CNC[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)cnc21 ZINC000865533368 1329710161 /nfs/dbraw/zinc/71/01/61/1329710161.db2.gz GQDAEOYUTNGKIL-OAQYLSRUSA-N 1 3 349.482 3.113 10 0 EGAEHO Cn1ncc2cc(CNC[C@@]3(C)CCC[N@H+]3Cc3ccccc3)cnc21 ZINC000865533368 1329710163 /nfs/dbraw/zinc/71/01/63/1329710163.db2.gz GQDAEOYUTNGKIL-OAQYLSRUSA-N 1 3 349.482 3.113 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)[C@H](c2ccccc2)C1 ZINC000865613799 1329720123 /nfs/dbraw/zinc/72/01/23/1329720123.db2.gz XCFPIIRHWYTKPJ-CVEARBPZSA-N 1 3 333.838 3.309 10 0 EGAEHO C[NH+]1CCC(CNCc2ccncc2Cl)(c2ccccc2)CC1 ZINC000865775580 1329737134 /nfs/dbraw/zinc/73/71/34/1329737134.db2.gz ZDQGKBPJGSNFIK-UHFFFAOYSA-N 1 3 329.875 3.488 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN1CCCC1 ZINC001324097976 1387540962 /nfs/dbraw/zinc/54/09/62/1387540962.db2.gz OCKGNVPXJBMZKY-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCC1 ZINC001324466181 1387631824 /nfs/dbraw/zinc/63/18/24/1387631824.db2.gz CSNZIUMBIZNJQL-RTBURBONSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)N(C)C ZINC001325628902 1388015019 /nfs/dbraw/zinc/01/50/19/1388015019.db2.gz GNEIJVAVGCSJKV-IYWMVGAKSA-N 1 3 347.547 3.186 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)N(C)C ZINC001325628902 1388015027 /nfs/dbraw/zinc/01/50/27/1388015027.db2.gz GNEIJVAVGCSJKV-IYWMVGAKSA-N 1 3 347.547 3.186 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)N1CCCC1 ZINC001325663231 1388023995 /nfs/dbraw/zinc/02/39/95/1388023995.db2.gz WEEWGXRSMVNJGR-WGSAOQKQSA-N 1 3 349.563 3.173 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001266023423 1377177179 /nfs/dbraw/zinc/17/71/79/1377177179.db2.gz LJSDNSXRVTXJCQ-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240221 1377242464 /nfs/dbraw/zinc/24/24/64/1377242464.db2.gz RDCXAWIJEFTTAF-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240221 1377242466 /nfs/dbraw/zinc/24/24/66/1377242466.db2.gz RDCXAWIJEFTTAF-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240218 1377243008 /nfs/dbraw/zinc/24/30/08/1377243008.db2.gz RDCXAWIJEFTTAF-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240218 1377243011 /nfs/dbraw/zinc/24/30/11/1377243011.db2.gz RDCXAWIJEFTTAF-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC001135926522 1377265006 /nfs/dbraw/zinc/26/50/06/1377265006.db2.gz LCRPBJKRQNFVQD-ZCNNSNEGSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H](c1ccccc1F)N1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546303 1377330634 /nfs/dbraw/zinc/33/06/34/1377330634.db2.gz SUAIRLJCKWXKGH-SJORKVTESA-N 1 3 349.494 3.057 10 0 EGAEHO CC[C@H](C(=O)NCC[N@H+]([C@@H](C)c1cc(C)ccc1C)C1CC1)N(C)C ZINC001266596342 1377341624 /nfs/dbraw/zinc/34/16/24/1377341624.db2.gz BBZUCGMJBUAOSC-FXAWDEMLSA-N 1 3 345.531 3.285 10 0 EGAEHO CC[C@H](C(=O)NCC[N@@H+]([C@@H](C)c1cc(C)ccc1C)C1CC1)N(C)C ZINC001266596342 1377341627 /nfs/dbraw/zinc/34/16/27/1377341627.db2.gz BBZUCGMJBUAOSC-FXAWDEMLSA-N 1 3 345.531 3.285 10 0 EGAEHO CCC(CC)C[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267250335 1377431652 /nfs/dbraw/zinc/43/16/52/1377431652.db2.gz KJZYMUXXKVJCRN-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CCC(CC)C[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267250335 1377431654 /nfs/dbraw/zinc/43/16/54/1377431654.db2.gz KJZYMUXXKVJCRN-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC1CCC(C[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001268590263 1377513635 /nfs/dbraw/zinc/51/36/35/1377513635.db2.gz DODRTYGWOSOXMI-SREVYHEPSA-N 1 3 337.552 3.053 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1)N(C)C ZINC001282736384 1378586885 /nfs/dbraw/zinc/58/68/85/1378586885.db2.gz BLOIRAIEQYAPID-QFBILLFUSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001283187328 1378756429 /nfs/dbraw/zinc/75/64/29/1378756429.db2.gz TXSDBDWLBOMPCI-APWZRJJASA-N 1 3 343.515 3.033 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1C ZINC001283240597 1378769486 /nfs/dbraw/zinc/76/94/86/1378769486.db2.gz VOKAIXMLJRXQMP-APWZRJJASA-N 1 3 345.531 3.020 10 0 EGAEHO CCCCCN1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001327696800 1388586382 /nfs/dbraw/zinc/58/63/82/1388586382.db2.gz WDVYSIDSCYLMCU-UHFFFAOYSA-N 1 3 343.515 3.150 10 0 EGAEHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CCC1 ZINC001284291938 1379679320 /nfs/dbraw/zinc/67/93/20/1379679320.db2.gz NDOACJNFMYUPID-SFHVURJKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001284731551 1380150872 /nfs/dbraw/zinc/15/08/72/1380150872.db2.gz KRTLYWGRXKOODW-KRWDZBQOSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001328412432 1388739977 /nfs/dbraw/zinc/73/99/77/1388739977.db2.gz AJQKKLVCMRORDC-ROUUACIJSA-N 1 3 345.531 3.136 10 0 EGAEHO CN(C)Cc1ccccc1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001159494439 1381807414 /nfs/dbraw/zinc/80/74/14/1381807414.db2.gz GQLUHIDRTOYWEU-UHFFFAOYSA-N 1 3 325.456 3.105 10 0 EGAEHO CCOc1ccc(CN(C)Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC001328435942 1388745647 /nfs/dbraw/zinc/74/56/47/1388745647.db2.gz FCBORVKOBHOZEL-UHFFFAOYSA-N 1 3 340.467 3.372 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001316667055 1384512255 /nfs/dbraw/zinc/51/22/55/1384512255.db2.gz OGEAUHRIYNTVBX-CEXWTWQISA-N 1 3 345.531 3.271 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811620 1384609720 /nfs/dbraw/zinc/60/97/20/1384609720.db2.gz NPYOUZHHYHLLQT-OALUTQOASA-N 1 3 345.531 3.134 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811620 1384609725 /nfs/dbraw/zinc/60/97/25/1384609725.db2.gz NPYOUZHHYHLLQT-OALUTQOASA-N 1 3 345.531 3.134 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001316997142 1384753881 /nfs/dbraw/zinc/75/38/81/1384753881.db2.gz CKNBVPBXZXMSRZ-QZTJIDSGSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1)N(C)C ZINC001317191340 1384965471 /nfs/dbraw/zinc/96/54/71/1384965471.db2.gz DJQLUTOESGQIDC-WOJBJXKFSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001317199696 1384974131 /nfs/dbraw/zinc/97/41/31/1384974131.db2.gz MXHZCEQLDLZJQY-LJQANCHMSA-N 1 3 331.504 3.133 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317351003 1385100390 /nfs/dbraw/zinc/10/03/90/1385100390.db2.gz NRQGDIGIZSFKBD-XXCOWLKOSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723335 1385423762 /nfs/dbraw/zinc/42/37/62/1385423762.db2.gz GBEWVQNYTIGTQK-PMACEKPBSA-N 1 3 343.515 3.106 10 0 EGAEHO C[C@H](c1ccccc1)N1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317988624 1385602848 /nfs/dbraw/zinc/60/28/48/1385602848.db2.gz YTMNXWZLZWGBPM-MJGOQNOKSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001318214446 1385629727 /nfs/dbraw/zinc/62/97/27/1385629727.db2.gz FTYPOZKNMRBFNJ-FHWLQOOXSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001318214446 1385629735 /nfs/dbraw/zinc/62/97/35/1385629735.db2.gz FTYPOZKNMRBFNJ-FHWLQOOXSA-N 1 3 349.563 3.361 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319132416 1385970777 /nfs/dbraw/zinc/97/07/77/1385970777.db2.gz LLHSVWVGORPHFM-WOJBJXKFSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001319688239 1386252699 /nfs/dbraw/zinc/25/26/99/1386252699.db2.gz ATEVHBVPMZYSIF-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001319805593 1386305052 /nfs/dbraw/zinc/30/50/52/1386305052.db2.gz IGEXUZIPGQEBNY-RTBURBONSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1=CCCCC1 ZINC001319942493 1386405042 /nfs/dbraw/zinc/40/50/42/1386405042.db2.gz BOMXIJKCZWRTJN-SFHVURJKSA-N 1 3 337.552 3.195 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001320117061 1386523795 /nfs/dbraw/zinc/52/37/95/1386523795.db2.gz WEVBVLIJCVJALN-WOJBJXKFSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001320117061 1386523799 /nfs/dbraw/zinc/52/37/99/1386523799.db2.gz WEVBVLIJCVJALN-WOJBJXKFSA-N 1 3 347.547 3.140 10 0 EGAEHO C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001330176521 1389327948 /nfs/dbraw/zinc/32/79/48/1389327948.db2.gz ZDKHATVJNPSMAS-XCDJFROHSA-N 1 3 327.516 3.112 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001698727253 1406378442 /nfs/dbraw/zinc/37/84/42/1406378442.db2.gz YWNWOJJVZCARPC-FQEVSTJZSA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001331470860 1389761740 /nfs/dbraw/zinc/76/17/40/1389761740.db2.gz SYYMCRHNSVSWMH-GOSISDBHSA-N 1 3 345.531 3.033 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CCC1CCCC1 ZINC001698747170 1406398176 /nfs/dbraw/zinc/39/81/76/1406398176.db2.gz AUZVZIYZHVBSDM-KRWDZBQOSA-N 1 3 337.552 3.173 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001331576939 1389811188 /nfs/dbraw/zinc/81/11/88/1389811188.db2.gz YCRCPFQPLWEWGR-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651340 1389847936 /nfs/dbraw/zinc/84/79/36/1389847936.db2.gz XBQITSPPCSUNJS-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001332162828 1390014151 /nfs/dbraw/zinc/01/41/51/1390014151.db2.gz XTDRWMMVBSHSHL-PDTMIUJASA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001332343538 1390092180 /nfs/dbraw/zinc/09/21/80/1390092180.db2.gz ZBYCTCLFBWYGQR-YLJYHZDGSA-N 1 3 345.531 3.282 10 0 EGAEHO CCCCCC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001332997791 1390233558 /nfs/dbraw/zinc/23/35/58/1390233558.db2.gz LEMMDVDTJFGPCB-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001698804485 1406484412 /nfs/dbraw/zinc/48/44/12/1406484412.db2.gz VIIAGMSBMAUDBX-QZTJIDSGSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1ccnn1-c1ccncc1)CCC2 ZINC001350135755 1391419354 /nfs/dbraw/zinc/41/93/54/1391419354.db2.gz JBGYSFZPCQMHCM-SFHVURJKSA-N 1 3 336.443 3.212 10 0 EGAEHO C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001698829038 1406522343 /nfs/dbraw/zinc/52/23/43/1406522343.db2.gz RCQQKNQHMGKKRY-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001479487060 1392254331 /nfs/dbraw/zinc/25/43/31/1392254331.db2.gz QEUTVBZOACALMJ-OTWHNJEPSA-N 1 3 349.563 3.172 10 0 EGAEHO Cc1cc(C)c(C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001479777243 1392382375 /nfs/dbraw/zinc/38/23/75/1392382375.db2.gz IBSOXUHOPYTJMS-FQEVSTJZSA-N 1 3 347.547 3.136 10 0 EGAEHO Cc1cc(C)c(C[N@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001479777243 1392382378 /nfs/dbraw/zinc/38/23/78/1392382378.db2.gz IBSOXUHOPYTJMS-FQEVSTJZSA-N 1 3 347.547 3.136 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963502 1392498951 /nfs/dbraw/zinc/49/89/51/1392498951.db2.gz IIFHOXBBNJTTNJ-RBUKOAKNSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963502 1392498952 /nfs/dbraw/zinc/49/89/52/1392498952.db2.gz IIFHOXBBNJTTNJ-RBUKOAKNSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)N(C)C ZINC001479985332 1392517535 /nfs/dbraw/zinc/51/75/35/1392517535.db2.gz MQYRASXQRDRLMH-OALUTQOASA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021288 1392538575 /nfs/dbraw/zinc/53/85/75/1392538575.db2.gz YTSVOGHRDBYKPP-PMACEKPBSA-N 1 3 347.547 3.234 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001480223312 1392626620 /nfs/dbraw/zinc/62/66/20/1392626620.db2.gz AABJQWNEXHMIHJ-QRQLOZEOSA-N 1 3 345.531 3.271 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266168 1392650081 /nfs/dbraw/zinc/65/00/81/1392650081.db2.gz QEQCAVRLZDYRRT-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266168 1392650083 /nfs/dbraw/zinc/65/00/83/1392650083.db2.gz QEQCAVRLZDYRRT-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480350113 1392699546 /nfs/dbraw/zinc/69/95/46/1392699546.db2.gz PQKPUQGGVNJFRG-DKFQHHCZSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001480384825 1392729745 /nfs/dbraw/zinc/72/97/45/1392729745.db2.gz ATHAESMGZWEWPV-QUCCMNQESA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001480384825 1392729746 /nfs/dbraw/zinc/72/97/46/1392729746.db2.gz ATHAESMGZWEWPV-QUCCMNQESA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480703110 1392866740 /nfs/dbraw/zinc/86/67/40/1392866740.db2.gz WDMCWUHYEQNZKU-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)c1 ZINC001480833188 1392974505 /nfs/dbraw/zinc/97/45/05/1392974505.db2.gz OVBSTWLTXILVQF-FQEVSTJZSA-N 1 3 343.515 3.133 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[C@H]2CCC[N@H+]2CC2CC2)c1 ZINC001480833188 1392974516 /nfs/dbraw/zinc/97/45/16/1392974516.db2.gz OVBSTWLTXILVQF-FQEVSTJZSA-N 1 3 343.515 3.133 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001698900717 1406633947 /nfs/dbraw/zinc/63/39/47/1406633947.db2.gz UCDBLQXPMYCTSW-BUPXIBQPSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)N(C)C ZINC001490927813 1394376559 /nfs/dbraw/zinc/37/65/59/1394376559.db2.gz DCDXANBLAFNTKA-UFYCRDLUSA-N 1 3 343.515 3.031 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530409 1394386267 /nfs/dbraw/zinc/38/62/67/1394386267.db2.gz TXUROTJEQRAVKD-KPDZFXRVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001481530409 1394386273 /nfs/dbraw/zinc/38/62/73/1394386273.db2.gz TXUROTJEQRAVKD-KPDZFXRVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001481530409 1394386278 /nfs/dbraw/zinc/38/62/78/1394386278.db2.gz TXUROTJEQRAVKD-KPDZFXRVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218697 1394477125 /nfs/dbraw/zinc/47/71/25/1394477125.db2.gz JBDMAPFKVGGOJU-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218697 1394477127 /nfs/dbraw/zinc/47/71/27/1394477127.db2.gz JBDMAPFKVGGOJU-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481960271 1394620864 /nfs/dbraw/zinc/62/08/64/1394620864.db2.gz GILWWRQUWFBRIQ-WIYYLYMNSA-N 1 3 349.563 3.483 10 0 EGAEHO CC[C@H](C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001482009065 1394668722 /nfs/dbraw/zinc/66/87/22/1394668722.db2.gz BXDZTZXNPGKCHB-HKUYNNGSSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960351 1406713591 /nfs/dbraw/zinc/71/35/91/1406713591.db2.gz HGQIKLAPRBQHBD-OALUTQOASA-N 1 3 349.563 3.172 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481570 1395035280 /nfs/dbraw/zinc/03/52/80/1395035280.db2.gz ZXYCAHAKVAVZRZ-ZWKOTPCHSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001482481646 1395035530 /nfs/dbraw/zinc/03/55/30/1395035530.db2.gz PAGSKPWYZCTBLK-ROUUACIJSA-N 1 3 339.568 3.371 10 0 EGAEHO CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CCCCN1C(C)C ZINC001482955157 1395098307 /nfs/dbraw/zinc/09/83/07/1395098307.db2.gz GLOWINQTWDJKML-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001483840210 1395106765 /nfs/dbraw/zinc/10/67/65/1395106765.db2.gz AIHFBHDHRVXPEP-NRFANRHFSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001483840210 1395106770 /nfs/dbraw/zinc/10/67/70/1395106770.db2.gz AIHFBHDHRVXPEP-NRFANRHFSA-N 1 3 349.563 3.366 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001484768835 1395525838 /nfs/dbraw/zinc/52/58/38/1395525838.db2.gz HVVMKRVBDDRKMA-SFHVURJKSA-N 1 3 333.520 3.177 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)CN(C)C(C)C ZINC001484768835 1395525839 /nfs/dbraw/zinc/52/58/39/1395525839.db2.gz HVVMKRVBDDRKMA-SFHVURJKSA-N 1 3 333.520 3.177 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001485229231 1395723025 /nfs/dbraw/zinc/72/30/25/1395723025.db2.gz HQGLMVDFHAZKOZ-IAGOWNOFSA-N 1 3 333.520 3.133 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001698997168 1406797395 /nfs/dbraw/zinc/79/73/95/1406797395.db2.gz SRALIPZZBFPVPB-HKUYNNGSSA-N 1 3 345.531 3.096 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001698997168 1406797398 /nfs/dbraw/zinc/79/73/98/1406797398.db2.gz SRALIPZZBFPVPB-HKUYNNGSSA-N 1 3 345.531 3.096 10 0 EGAEHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001492091578 1396303778 /nfs/dbraw/zinc/30/37/78/1396303778.db2.gz FAPRAPGTIFGFHN-AZUAARDMSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001495817290 1396563963 /nfs/dbraw/zinc/56/39/63/1396563963.db2.gz YBTNLTWYKALCFH-GJZGRUSLSA-N 1 3 339.911 3.083 10 0 EGAEHO CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001689124904 1396930391 /nfs/dbraw/zinc/93/03/91/1396930391.db2.gz HUYJDWGBFPXADX-QRVBRYPASA-N 1 3 337.552 3.266 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490010 1397034943 /nfs/dbraw/zinc/03/49/43/1397034943.db2.gz XFXWRWDAYSJWCI-MOPGFXCFSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001690051571 1404284020 /nfs/dbraw/zinc/28/40/20/1404284020.db2.gz HJZCUGCUFXLRDR-IBGZPJMESA-N 1 3 331.504 3.133 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001690051571 1404284021 /nfs/dbraw/zinc/28/40/21/1404284021.db2.gz HJZCUGCUFXLRDR-IBGZPJMESA-N 1 3 331.504 3.133 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001690131801 1404327554 /nfs/dbraw/zinc/32/75/54/1404327554.db2.gz ZZYFBXDSEVODOB-PKOBYXMFSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1 ZINC001690198846 1404409193 /nfs/dbraw/zinc/40/91/93/1404409193.db2.gz CYDLOKGPKQZVTO-FQEVSTJZSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2=CCCCC2)C1 ZINC001690198846 1404409197 /nfs/dbraw/zinc/40/91/97/1404409197.db2.gz CYDLOKGPKQZVTO-FQEVSTJZSA-N 1 3 349.563 3.388 10 0 EGAEHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001690628824 1404663952 /nfs/dbraw/zinc/66/39/52/1404663952.db2.gz WDHFWJXOJUBGPC-MSOLQXFVSA-N 1 3 345.531 3.108 10 0 EGAEHO CCCc1ccc(CN(C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001690968355 1404875533 /nfs/dbraw/zinc/87/55/33/1404875533.db2.gz SQKVGKLZOCGYCU-UHFFFAOYSA-N 1 3 345.531 3.062 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001725741258 1426417202 /nfs/dbraw/zinc/41/72/02/1426417202.db2.gz AFQFQGFDTCGKTJ-QGZVFWFLSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001691683601 1405418779 /nfs/dbraw/zinc/41/87/79/1405418779.db2.gz VCERCCPURJLFTF-QGZVFWFLSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001691765747 1405478938 /nfs/dbraw/zinc/47/89/38/1405478938.db2.gz WSGRNEGLQOHJMB-APWZRJJASA-N 1 3 331.504 3.131 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001691765747 1405478939 /nfs/dbraw/zinc/47/89/39/1405478939.db2.gz WSGRNEGLQOHJMB-APWZRJJASA-N 1 3 331.504 3.131 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C/C=C/c1ccccc1 ZINC001692005004 1405722586 /nfs/dbraw/zinc/72/25/86/1405722586.db2.gz PFRPNYBQDBFZPW-IJQANDGASA-N 1 3 343.515 3.011 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001692008288 1405726652 /nfs/dbraw/zinc/72/66/52/1405726652.db2.gz DIUXPUIEPYINIA-WMZOPIPTSA-N 1 3 348.535 3.385 10 0 EGAEHO CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001692012652 1405731535 /nfs/dbraw/zinc/73/15/35/1405731535.db2.gz IEMALARPSNZEPP-FXAWDEMLSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001692086254 1405766971 /nfs/dbraw/zinc/76/69/71/1405766971.db2.gz QABGTICIXNTDGM-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001692275230 1405906243 /nfs/dbraw/zinc/90/62/43/1405906243.db2.gz CKWGASQNULXODX-KRWDZBQOSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)CC(C)(C)C1 ZINC001692275230 1405906248 /nfs/dbraw/zinc/90/62/48/1405906248.db2.gz CKWGASQNULXODX-KRWDZBQOSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001692322430 1405941032 /nfs/dbraw/zinc/94/10/32/1405941032.db2.gz NCAMCVSVLJSBFF-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001692322782 1405941165 /nfs/dbraw/zinc/94/11/65/1405941165.db2.gz SNKVAKGYMPIKPA-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384727 1405990037 /nfs/dbraw/zinc/99/00/37/1405990037.db2.gz YMVUDWGPCIHXIR-PSCPARJHSA-N 1 3 347.547 3.284 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001698581818 1406193842 /nfs/dbraw/zinc/19/38/42/1406193842.db2.gz OLBBRWGTAWMTCI-AWTIPJNISA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001698581818 1406193845 /nfs/dbraw/zinc/19/38/45/1406193845.db2.gz OLBBRWGTAWMTCI-AWTIPJNISA-N 1 3 335.536 3.138 10 0 EGAEHO CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001698589175 1406210139 /nfs/dbraw/zinc/21/01/39/1406210139.db2.gz ZGYRMDSXBCYBLO-OALUTQOASA-N 1 3 335.536 3.140 10 0 EGAEHO CCc1cccc(C[NH2+][C@H](CC)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001698595863 1406220184 /nfs/dbraw/zinc/22/01/84/1406220184.db2.gz HFNHIAMCMJEODM-UXHICEINSA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598800 1406223987 /nfs/dbraw/zinc/22/39/87/1406223987.db2.gz ZVQXRSCMTNADSF-UXHICEINSA-N 1 3 345.531 3.161 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001732060942 1428309679 /nfs/dbraw/zinc/30/96/79/1428309679.db2.gz JGRWZAVESFKLAY-OBNUAKFSSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001732060942 1428309683 /nfs/dbraw/zinc/30/96/83/1428309683.db2.gz JGRWZAVESFKLAY-OBNUAKFSSA-N 1 3 335.536 3.045 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCCCC2)C1 ZINC001732067889 1428315810 /nfs/dbraw/zinc/31/58/10/1428315810.db2.gz BCQVWUKQUMLCTF-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCCCC2)C1 ZINC001732067889 1428315817 /nfs/dbraw/zinc/31/58/17/1428315817.db2.gz BCQVWUKQUMLCTF-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CCC(C)(C)C)CCCC[C@H]1C ZINC001732261887 1428502249 /nfs/dbraw/zinc/50/22/49/1428502249.db2.gz OZNAEWVPIRRYRY-XLIONFOSSA-N 1 3 339.568 3.419 10 0 EGAEHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001732396099 1428563473 /nfs/dbraw/zinc/56/34/73/1428563473.db2.gz GRZORSWZCRGAOM-SJORKVTESA-N 1 3 341.515 3.016 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732400395 1428566355 /nfs/dbraw/zinc/56/63/55/1428566355.db2.gz RCYGEPLKSLKODY-ROUUACIJSA-N 1 3 349.563 3.458 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001732424254 1428575526 /nfs/dbraw/zinc/57/55/26/1428575526.db2.gz DJHOYFZFDCTDEU-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO C[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)N1CCCCCC1 ZINC001732478380 1428604357 /nfs/dbraw/zinc/60/43/57/1428604357.db2.gz UHLWIBGUIZIBNK-YLJYHZDGSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001699101849 1412510955 /nfs/dbraw/zinc/51/09/55/1412510955.db2.gz YFGDDVKFLUHART-AZUAARDMSA-N 1 3 345.531 3.161 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483316 1412878415 /nfs/dbraw/zinc/87/84/15/1412878415.db2.gz NISRWYJOXDPVMS-ZWKOTPCHSA-N 1 3 337.552 3.029 10 0 EGAEHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCC(C)C ZINC001699608717 1412972851 /nfs/dbraw/zinc/97/28/51/1412972851.db2.gz WSBXUTRQBDSGGI-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CC1 ZINC001699664926 1413050936 /nfs/dbraw/zinc/05/09/36/1413050936.db2.gz YVHQOXFZFJQIFE-IBGZPJMESA-N 1 3 349.563 3.458 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697922 1413109147 /nfs/dbraw/zinc/10/91/47/1413109147.db2.gz VNRPMCDYVPXKLT-QQUYBBDPSA-N 1 3 349.563 3.389 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697922 1413109148 /nfs/dbraw/zinc/10/91/48/1413109148.db2.gz VNRPMCDYVPXKLT-QQUYBBDPSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCCC2)C1 ZINC001699879421 1413344178 /nfs/dbraw/zinc/34/41/78/1413344178.db2.gz OLYSWWUEHFZLSJ-HXUWFJFHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCCCC2)C1 ZINC001699879421 1413344180 /nfs/dbraw/zinc/34/41/80/1413344180.db2.gz OLYSWWUEHFZLSJ-HXUWFJFHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700291356 1413744224 /nfs/dbraw/zinc/74/42/24/1413744224.db2.gz HHDGEUVQTFBTGA-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001700291356 1413744228 /nfs/dbraw/zinc/74/42/28/1413744228.db2.gz HHDGEUVQTFBTGA-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001700293637 1413751183 /nfs/dbraw/zinc/75/11/83/1413751183.db2.gz UPVZUPJWNDEDJY-RBUKOAKNSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001700293637 1413751184 /nfs/dbraw/zinc/75/11/84/1413751184.db2.gz UPVZUPJWNDEDJY-RBUKOAKNSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001700418863 1413966204 /nfs/dbraw/zinc/96/62/04/1413966204.db2.gz UWWWPDKGIZENDC-DLBZAZTESA-N 1 3 337.552 3.338 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001700437133 1414005168 /nfs/dbraw/zinc/00/51/68/1414005168.db2.gz DKPCYSJHZLGKEC-SOAGJPPSSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001700482609 1414122217 /nfs/dbraw/zinc/12/22/17/1414122217.db2.gz BIVIIOZYIUHEAP-IEBWSBKVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001700482609 1414122219 /nfs/dbraw/zinc/12/22/19/1414122219.db2.gz BIVIIOZYIUHEAP-IEBWSBKVSA-N 1 3 345.531 3.088 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001700645705 1414311078 /nfs/dbraw/zinc/31/10/78/1414311078.db2.gz LTXHIQCWKJHOGF-KZNAEPCWSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCC[N@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001700697197 1414355154 /nfs/dbraw/zinc/35/51/54/1414355154.db2.gz UKYFHNIBKPJGGI-UHFFFAOYSA-N 1 3 325.541 3.077 10 0 EGAEHO CCCCC[N@@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001700697197 1414355157 /nfs/dbraw/zinc/35/51/57/1414355157.db2.gz UKYFHNIBKPJGGI-UHFFFAOYSA-N 1 3 325.541 3.077 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767758 1414443821 /nfs/dbraw/zinc/44/38/21/1414443821.db2.gz LBJVTRXIWTXHAS-QFBILLFUSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913431 1414566455 /nfs/dbraw/zinc/56/64/55/1414566455.db2.gz UAVCOZIAKXNMAI-RTBURBONSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001700996102 1414645047 /nfs/dbraw/zinc/64/50/47/1414645047.db2.gz NCXKHRIJIBDUEO-GPPWAPFKSA-N 1 3 343.943 3.122 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001701001576 1414654489 /nfs/dbraw/zinc/65/44/89/1414654489.db2.gz SFKVRENSFJIXQF-QZTJIDSGSA-N 1 3 339.568 3.418 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001701031657 1414694932 /nfs/dbraw/zinc/69/49/32/1414694932.db2.gz SXELUIFDOZARKT-DAWZGUTISA-N 1 3 337.552 3.266 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@H+](CC2=CCCCC2)CC1)CC(C)(C)C ZINC001701057554 1414713831 /nfs/dbraw/zinc/71/38/31/1414713831.db2.gz JCGNOHVYANYQHU-UHFFFAOYSA-N 1 3 347.547 3.213 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@@H+](CC2=CCCCC2)CC1)CC(C)(C)C ZINC001701057554 1414713833 /nfs/dbraw/zinc/71/38/33/1414713833.db2.gz JCGNOHVYANYQHU-UHFFFAOYSA-N 1 3 347.547 3.213 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197372 1417240479 /nfs/dbraw/zinc/24/04/79/1417240479.db2.gz JXILXRLKDIRUOH-PCUMXMLJSA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197372 1417240482 /nfs/dbraw/zinc/24/04/82/1417240482.db2.gz JXILXRLKDIRUOH-PCUMXMLJSA-N 1 3 349.563 3.432 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CCN1C/C=C/c1ccccc1 ZINC001707207144 1417245371 /nfs/dbraw/zinc/24/53/71/1417245371.db2.gz ZOUUHZQSQANOOS-WQEUXLNQSA-N 1 3 343.515 3.011 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CCN1C/C=C/c1ccccc1 ZINC001707207144 1417245372 /nfs/dbraw/zinc/24/53/72/1417245372.db2.gz ZOUUHZQSQANOOS-WQEUXLNQSA-N 1 3 343.515 3.011 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001707237211 1417257840 /nfs/dbraw/zinc/25/78/40/1417257840.db2.gz GZXLMASNPCOWOP-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO C[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001712972293 1417526183 /nfs/dbraw/zinc/52/61/83/1417526183.db2.gz SJNHWOIEGMTZNP-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO C[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001712972293 1417526188 /nfs/dbraw/zinc/52/61/88/1417526188.db2.gz SJNHWOIEGMTZNP-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](C(C)C)CC[C@@H]21 ZINC001713182509 1417756913 /nfs/dbraw/zinc/75/69/13/1417756913.db2.gz OGGMSIPEKKBRDR-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](C(C)C)CC[C@@H]21 ZINC001713182509 1417756917 /nfs/dbraw/zinc/75/69/17/1417756917.db2.gz OGGMSIPEKKBRDR-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220198 1417800622 /nfs/dbraw/zinc/80/06/22/1417800622.db2.gz GVLTYQOPSUXEAB-ZEVQVBBLSA-N 1 3 337.552 3.149 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220198 1417800624 /nfs/dbraw/zinc/80/06/24/1417800624.db2.gz GVLTYQOPSUXEAB-ZEVQVBBLSA-N 1 3 337.552 3.149 10 0 EGAEHO Cc1ccc(C[NH2+]C2CCC(NC(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001713294110 1417921355 /nfs/dbraw/zinc/92/13/55/1417921355.db2.gz WQSOCOVKKHWGJZ-UHFFFAOYSA-N 1 3 345.531 3.161 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713538308 1418293640 /nfs/dbraw/zinc/29/36/40/1418293640.db2.gz IOPKLCVAQZJWPK-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713538308 1418293646 /nfs/dbraw/zinc/29/36/46/1418293646.db2.gz IOPKLCVAQZJWPK-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714003084 1418782277 /nfs/dbraw/zinc/78/22/77/1418782277.db2.gz AGAGZAJXBPOJTH-ZWKOTPCHSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714003084 1418782278 /nfs/dbraw/zinc/78/22/78/1418782278.db2.gz AGAGZAJXBPOJTH-ZWKOTPCHSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092611 1418886593 /nfs/dbraw/zinc/88/65/93/1418886593.db2.gz AVTYWMYHOJYKJL-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001714093988 1418887736 /nfs/dbraw/zinc/88/77/36/1418887736.db2.gz UNUMZQQPKMEKHV-IBGZPJMESA-N 1 3 343.515 3.156 10 0 EGAEHO CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001714104746 1418903755 /nfs/dbraw/zinc/90/37/55/1418903755.db2.gz UJZPJLYKNBEWNH-RBUKOAKNSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001714104746 1418903758 /nfs/dbraw/zinc/90/37/58/1418903758.db2.gz UJZPJLYKNBEWNH-RBUKOAKNSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001714175930 1418983995 /nfs/dbraw/zinc/98/39/95/1418983995.db2.gz CRMAVPRVKDCVMW-HXUWFJFHSA-N 1 3 344.503 3.026 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001714177948 1418985938 /nfs/dbraw/zinc/98/59/38/1418985938.db2.gz PIPLXKZEPDDWEN-HXUWFJFHSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268123 1419049180 /nfs/dbraw/zinc/04/91/80/1419049180.db2.gz PURJYXHUKVVTBV-MAUKXSAKSA-N 1 3 349.544 3.140 10 0 EGAEHO C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268123 1419049183 /nfs/dbraw/zinc/04/91/83/1419049183.db2.gz PURJYXHUKVVTBV-MAUKXSAKSA-N 1 3 349.544 3.140 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001714420802 1419156997 /nfs/dbraw/zinc/15/69/97/1419156997.db2.gz UYPATVMQQSROAP-QGZVFWFLSA-N 1 3 345.531 3.020 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433243 1419166110 /nfs/dbraw/zinc/16/61/10/1419166110.db2.gz BBHFKOGUKMGXPH-QZTJIDSGSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)N1CCCCC1 ZINC001714516665 1419243379 /nfs/dbraw/zinc/24/33/79/1419243379.db2.gz HBMHNHGOACQLDN-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1)N1CCCCC1 ZINC001714516665 1419243381 /nfs/dbraw/zinc/24/33/81/1419243381.db2.gz HBMHNHGOACQLDN-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001714754472 1419495239 /nfs/dbraw/zinc/49/52/39/1419495239.db2.gz YFZUSIQDQWMQRJ-APWZRJJASA-N 1 3 343.531 3.216 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC001714914312 1419663309 /nfs/dbraw/zinc/66/33/09/1419663309.db2.gz AANSCNSCPNPFFD-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC001714914312 1419663311 /nfs/dbraw/zinc/66/33/11/1419663311.db2.gz AANSCNSCPNPFFD-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001715033067 1419765804 /nfs/dbraw/zinc/76/58/04/1419765804.db2.gz OXQORIIMPVQVBN-HXUWFJFHSA-N 1 3 345.531 3.014 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(C)cc1C ZINC001715068450 1419804258 /nfs/dbraw/zinc/80/42/58/1419804258.db2.gz KKZXNKHCVZKFHJ-IBGZPJMESA-N 1 3 345.531 3.162 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001715082058 1419818833 /nfs/dbraw/zinc/81/88/33/1419818833.db2.gz DBJNYWQQLWXDRK-LJQANCHMSA-N 1 3 347.547 3.309 10 0 EGAEHO C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001715681071 1420291931 /nfs/dbraw/zinc/29/19/31/1420291931.db2.gz GAGUOQNUIXCGRM-DNVCBOLYSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001716511936 1420742738 /nfs/dbraw/zinc/74/27/38/1420742738.db2.gz IVSRLFKRGXYZBV-OALUTQOASA-N 1 3 349.563 3.482 10 0 EGAEHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001716634696 1420792784 /nfs/dbraw/zinc/79/27/84/1420792784.db2.gz FEFZGGJZBRVVTE-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001716998205 1421067000 /nfs/dbraw/zinc/06/70/00/1421067000.db2.gz MEGUQWHETHSMPU-YRPNKDGESA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001716998205 1421067003 /nfs/dbraw/zinc/06/70/03/1421067003.db2.gz MEGUQWHETHSMPU-YRPNKDGESA-N 1 3 349.563 3.410 10 0 EGAEHO CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717456583 1421385925 /nfs/dbraw/zinc/38/59/25/1421385925.db2.gz CYAAHPNEENNUML-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCCC1)N(C)C ZINC001717523995 1421459474 /nfs/dbraw/zinc/45/94/74/1421459474.db2.gz MGBVUTYDWXJDTN-QGZVFWFLSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001717625803 1421534715 /nfs/dbraw/zinc/53/47/15/1421534715.db2.gz VEXWPZNESISSLX-IPMKNSEASA-N 1 3 349.563 3.124 10 0 EGAEHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001717625803 1421534716 /nfs/dbraw/zinc/53/47/16/1421534716.db2.gz VEXWPZNESISSLX-IPMKNSEASA-N 1 3 349.563 3.124 10 0 EGAEHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717625801 1421534831 /nfs/dbraw/zinc/53/48/31/1421534831.db2.gz VEXWPZNESISSLX-FHWLQOOXSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717625801 1421534833 /nfs/dbraw/zinc/53/48/33/1421534833.db2.gz VEXWPZNESISSLX-FHWLQOOXSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736141 1421600836 /nfs/dbraw/zinc/60/08/36/1421600836.db2.gz KUOXGHSHMVENGQ-XLIONFOSSA-N 1 3 349.563 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758679 1421621369 /nfs/dbraw/zinc/62/13/69/1421621369.db2.gz ZNLWCXHXWKPSBZ-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001717888145 1421689076 /nfs/dbraw/zinc/68/90/76/1421689076.db2.gz YVGFGAWPMCGZMG-QFBILLFUSA-N 1 3 331.504 3.036 10 0 EGAEHO CN(CC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)C1CCC1 ZINC001717895269 1421693317 /nfs/dbraw/zinc/69/33/17/1421693317.db2.gz IAUQEGIVFZFOGC-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(C)(C)C ZINC001717961412 1421733246 /nfs/dbraw/zinc/73/32/46/1421733246.db2.gz JLLGYHSMXNJIGI-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO CCCCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001717965327 1421736885 /nfs/dbraw/zinc/73/68/85/1421736885.db2.gz MZXIYCSPNLRISH-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCC1 ZINC001717973984 1421745665 /nfs/dbraw/zinc/74/56/65/1421745665.db2.gz PJQZOESZNPQLJF-ZWKOTPCHSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)N1CCCCC1 ZINC001723595305 1424481616 /nfs/dbraw/zinc/48/16/16/1424481616.db2.gz OHPNIFMMERNYJY-IBGZPJMESA-N 1 3 347.547 3.236 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001723939041 1424609044 /nfs/dbraw/zinc/60/90/44/1424609044.db2.gz ABSNRSJCSMYYOG-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001724125564 1424675906 /nfs/dbraw/zinc/67/59/06/1424675906.db2.gz GSBAWTDQPMVFOG-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001724125564 1424675913 /nfs/dbraw/zinc/67/59/13/1424675913.db2.gz GSBAWTDQPMVFOG-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724273704 1424768910 /nfs/dbraw/zinc/76/89/10/1424768910.db2.gz RLKNDXDUVDHEMN-OAQYLSRUSA-N 1 3 345.531 3.380 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001724657528 1425024088 /nfs/dbraw/zinc/02/40/88/1425024088.db2.gz ZEDCUYIIVVBVPD-QSAAVLFXSA-N 1 3 347.547 3.281 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001724657528 1425024093 /nfs/dbraw/zinc/02/40/93/1425024093.db2.gz ZEDCUYIIVVBVPD-QSAAVLFXSA-N 1 3 347.547 3.281 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001724895611 1425287097 /nfs/dbraw/zinc/28/70/97/1425287097.db2.gz NPQMKCUICGNYFX-PZJWPPBQSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001724895611 1425287102 /nfs/dbraw/zinc/28/71/02/1425287102.db2.gz NPQMKCUICGNYFX-PZJWPPBQSA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001725132977 1425604114 /nfs/dbraw/zinc/60/41/14/1425604114.db2.gz XMGHAXUVQYVEJP-IRXDYDNUSA-N 1 3 339.483 3.045 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725179729 1425703126 /nfs/dbraw/zinc/70/31/26/1425703126.db2.gz JJNDIKLISTXETM-QFBILLFUSA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725179729 1425703130 /nfs/dbraw/zinc/70/31/30/1425703130.db2.gz JJNDIKLISTXETM-QFBILLFUSA-N 1 3 343.531 3.072 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C)c1 ZINC001725755714 1426434995 /nfs/dbraw/zinc/43/49/95/1426434995.db2.gz GFXVNLPRSBVHAX-LJQANCHMSA-N 1 3 347.547 3.264 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001725769944 1426453672 /nfs/dbraw/zinc/45/36/72/1426453672.db2.gz PPNNFVFXIKAFDN-MJRGOJFPSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001731364369 1427297804 /nfs/dbraw/zinc/29/78/04/1427297804.db2.gz OZDRXVMVPBWFFE-VOTSOKGWSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC001733690780 1429907320 /nfs/dbraw/zinc/90/73/20/1429907320.db2.gz BKUPFBHONYJYTQ-WGSAOQKQSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1C ZINC001733987234 1437783550 /nfs/dbraw/zinc/78/35/50/1437783550.db2.gz JNLKQWOYDVSMBG-ZWKOTPCHSA-N 1 3 347.547 3.264 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCC1CCCCC1 ZINC001734053348 1437843271 /nfs/dbraw/zinc/84/32/71/1437843271.db2.gz MZPLMSKCEIHIAD-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCC1CCCCC1 ZINC001734053348 1437843274 /nfs/dbraw/zinc/84/32/74/1437843274.db2.gz MZPLMSKCEIHIAD-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232914 1437951460 /nfs/dbraw/zinc/95/14/60/1437951460.db2.gz HJXYVTPLYPVFKN-FUHWJXTLSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001734398037 1438081475 /nfs/dbraw/zinc/08/14/75/1438081475.db2.gz DIEMJLGUTPPCCK-DLBZAZTESA-N 1 3 339.568 3.370 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001734587969 1438177748 /nfs/dbraw/zinc/17/77/48/1438177748.db2.gz RDBXJGRKXNLESX-ROUUACIJSA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001734637141 1438196669 /nfs/dbraw/zinc/19/66/69/1438196669.db2.gz NSDIVPUNETXGBM-RBUKOAKNSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001734637141 1438196670 /nfs/dbraw/zinc/19/66/70/1438196670.db2.gz NSDIVPUNETXGBM-RBUKOAKNSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[N@H+](CC[C@@H](N)c1cccc(Br)c1)[C@@H](C)COC ZINC000053940689 214205419 /nfs/dbraw/zinc/20/54/19/214205419.db2.gz ZLADBMZLYXTQFV-SWLSCSKDSA-N 1 3 329.282 3.196 10 0 EGAEHO CC[N@@H+](CC[C@@H](N)c1cccc(Br)c1)[C@@H](C)COC ZINC000053940689 214205422 /nfs/dbraw/zinc/20/54/22/214205422.db2.gz ZLADBMZLYXTQFV-SWLSCSKDSA-N 1 3 329.282 3.196 10 0 EGAEHO CCN(CC[C@@H]([NH3+])c1cccc(Br)c1)[C@@H](C)COC ZINC000053940689 214205424 /nfs/dbraw/zinc/20/54/24/214205424.db2.gz ZLADBMZLYXTQFV-SWLSCSKDSA-N 1 3 329.282 3.196 10 0 EGAEHO CCN[C@H](CC[N@H+](C)CCOC)c1cccc(Br)c1 ZINC000053971814 214207357 /nfs/dbraw/zinc/20/73/57/214207357.db2.gz QTCUYMOGLJXHFQ-OAHLLOKOSA-N 1 3 329.282 3.068 10 0 EGAEHO CCN[C@H](CC[N@@H+](C)CCOC)c1cccc(Br)c1 ZINC000053971814 214207359 /nfs/dbraw/zinc/20/73/59/214207359.db2.gz QTCUYMOGLJXHFQ-OAHLLOKOSA-N 1 3 329.282 3.068 10 0 EGAEHO C[C@H](CCc1ccccc1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000069777293 203048697 /nfs/dbraw/zinc/04/86/97/203048697.db2.gz FZLQPGIORUSOGN-TZIWHRDSSA-N 1 3 329.532 3.110 10 0 EGAEHO C[C@H](CCc1ccccc1)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000069777293 203048702 /nfs/dbraw/zinc/04/87/02/203048702.db2.gz FZLQPGIORUSOGN-TZIWHRDSSA-N 1 3 329.532 3.110 10 0 EGAEHO CC(C)=CCN1CCN(c2cc(C)[nH+]c3ccccc32)C[C@H]1CCO ZINC000072409026 203215427 /nfs/dbraw/zinc/21/54/27/203215427.db2.gz WLBYKHXXGIETEX-GOSISDBHSA-N 1 3 339.483 3.382 10 0 EGAEHO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261862530 284209964 /nfs/dbraw/zinc/20/99/64/284209964.db2.gz WZYZBPQLYIOPSA-VBSBHUPXSA-N 1 3 343.515 3.045 10 0 EGAEHO C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000266000021 248013852 /nfs/dbraw/zinc/01/38/52/248013852.db2.gz OYEQXHXHHGWHHU-FXAWDEMLSA-N 1 3 343.515 3.227 10 0 EGAEHO CCO[C@@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370149 144132045 /nfs/dbraw/zinc/13/20/45/144132045.db2.gz ZWDIFRLGWNRYEX-QZTJIDSGSA-N 1 3 326.525 3.059 10 0 EGAEHO C[NH+](C)CC1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000341164724 155203974 /nfs/dbraw/zinc/20/39/74/155203974.db2.gz AJLXJMORAYQFFS-UHFFFAOYSA-N 1 3 334.489 3.004 10 0 EGAEHO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000194647070 153349273 /nfs/dbraw/zinc/34/92/73/153349273.db2.gz RZWZGUJELPGGSL-KSZLIROESA-N 1 3 343.515 3.160 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310071707 154139955 /nfs/dbraw/zinc/13/99/55/154139955.db2.gz ACKOZLLJAXITGS-QCFAMHMHSA-N 1 3 329.532 3.217 10 0 EGAEHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000310950100 154145114 /nfs/dbraw/zinc/14/51/14/154145114.db2.gz LUGFHYXWMZCTQL-QFBILLFUSA-N 1 3 340.467 3.401 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)CCCSC)CC1 ZINC000343689982 164013803 /nfs/dbraw/zinc/01/38/03/164013803.db2.gz DPFDLOYZXKMNDK-UHFFFAOYSA-N 1 3 335.561 3.404 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCCSC)CC1 ZINC000343689982 164013804 /nfs/dbraw/zinc/01/38/04/164013804.db2.gz DPFDLOYZXKMNDK-UHFFFAOYSA-N 1 3 335.561 3.404 10 0 EGAEHO Cn1cc(C[NH2+]C2CC(N3CCCCC3)C2)c(-c2cccs2)n1 ZINC000366886958 168152448 /nfs/dbraw/zinc/15/24/48/168152448.db2.gz PQBMIUSGZKFROV-UHFFFAOYSA-N 1 3 330.501 3.255 10 0 EGAEHO CSCCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173682771 274175145 /nfs/dbraw/zinc/17/51/45/274175145.db2.gz YKYYNEHPWXICDH-IBGZPJMESA-N 1 3 336.545 3.117 10 0 EGAEHO CSCCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173682771 274175149 /nfs/dbraw/zinc/17/51/49/274175149.db2.gz YKYYNEHPWXICDH-IBGZPJMESA-N 1 3 336.545 3.117 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 ZINC000354097140 276100581 /nfs/dbraw/zinc/10/05/81/276100581.db2.gz OCIIEFXUDXTFNS-IBGZPJMESA-N 1 3 334.504 3.245 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481984 277043942 /nfs/dbraw/zinc/04/39/42/277043942.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 1 3 330.520 3.273 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481984 277043943 /nfs/dbraw/zinc/04/39/43/277043943.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481984 277043945 /nfs/dbraw/zinc/04/39/45/277043945.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481984 277043947 /nfs/dbraw/zinc/04/39/47/277043947.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 1 3 330.520 3.273 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCS2)CC1 ZINC000152603649 307755950 /nfs/dbraw/zinc/75/59/50/307755950.db2.gz IQLVVQJNIXRCTG-GOSISDBHSA-N 1 3 333.545 3.204 10 0 EGAEHO CCC[NH+]1CCN(c2ccccc2CNc2nccn2CC)CC1 ZINC000414301541 309071600 /nfs/dbraw/zinc/07/16/00/309071600.db2.gz NESRVCHKRUGLAA-UHFFFAOYSA-N 1 3 327.476 3.047 10 0 EGAEHO Cc1nocc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000293593505 308144935 /nfs/dbraw/zinc/14/49/35/308144935.db2.gz OMPYMQKGTJNIPO-UHFFFAOYSA-N 1 3 343.471 3.144 10 0 EGAEHO Cc1nccnc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000295063083 308286691 /nfs/dbraw/zinc/28/66/91/308286691.db2.gz RJDAWVYPCWZRDB-ACDBMABISA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1nccnc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000295063083 308286692 /nfs/dbraw/zinc/28/66/92/308286692.db2.gz RJDAWVYPCWZRDB-ACDBMABISA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1nccnc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000295063087 308286793 /nfs/dbraw/zinc/28/67/93/308286793.db2.gz RJDAWVYPCWZRDB-OWZKRDHZSA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1nccnc1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000295063087 308286795 /nfs/dbraw/zinc/28/67/95/308286795.db2.gz RJDAWVYPCWZRDB-OWZKRDHZSA-N 1 3 336.483 3.113 10 0 EGAEHO COCCCOc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414815371 309103409 /nfs/dbraw/zinc/10/34/09/309103409.db2.gz XJOSUWNGJZFZLY-MRXNPFEDSA-N 1 3 328.456 3.411 10 0 EGAEHO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411390101 308936785 /nfs/dbraw/zinc/93/67/85/308936785.db2.gz PIAHBEULTBFVJL-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415960459 309151334 /nfs/dbraw/zinc/15/13/34/309151334.db2.gz BOLGMYIEVJWOMN-LLVKDONJSA-N 1 3 346.397 3.016 10 0 EGAEHO COCc1cccc(OCC2(C[NH2+][C@H]3CCNCC3(C)C)CCC2)c1 ZINC000420359184 309284049 /nfs/dbraw/zinc/28/40/49/309284049.db2.gz JMXNSJMHNPGTKV-IBGZPJMESA-N 1 3 346.515 3.360 10 0 EGAEHO COCc1cccc(OCC2(CN[C@H]3CC[NH2+]CC3(C)C)CCC2)c1 ZINC000420359184 309284050 /nfs/dbraw/zinc/28/40/50/309284050.db2.gz JMXNSJMHNPGTKV-IBGZPJMESA-N 1 3 346.515 3.360 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752649 309366642 /nfs/dbraw/zinc/36/66/42/309366642.db2.gz CVAVMOVEGOMZIO-MAUKXSAKSA-N 1 3 342.462 3.307 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422752643 309366667 /nfs/dbraw/zinc/36/66/67/309366667.db2.gz CUHJSRNICNRPIR-VRXWPRPYSA-N 1 3 343.515 3.174 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871268 309372981 /nfs/dbraw/zinc/37/29/81/309372981.db2.gz YNGOXMBOUKHEIU-HIFRSBDPSA-N 1 3 346.425 3.056 10 0 EGAEHO Clc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422879164 309373734 /nfs/dbraw/zinc/37/37/34/309373734.db2.gz UUQLPDPQXRKHCX-BURFUSLBSA-N 1 3 348.922 3.214 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000423009809 309380698 /nfs/dbraw/zinc/38/06/98/309380698.db2.gz DZFMFJSEJRSXIA-TYPHKJRUSA-N 1 3 335.451 3.378 10 0 EGAEHO CCN1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017864 309381253 /nfs/dbraw/zinc/38/12/53/309381253.db2.gz PREJNIUATMEJDH-YQPCPPDFSA-N 1 3 327.875 3.330 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033679 309382138 /nfs/dbraw/zinc/38/21/38/309382138.db2.gz ZPCRZRFPAVLKGL-IEBWSBKVSA-N 1 3 347.890 3.362 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)[C@@H]1CCCNC1 ZINC000423204932 309390325 /nfs/dbraw/zinc/39/03/25/309390325.db2.gz AVRACNIWZKUSSD-CFVMTHIKSA-N 1 3 337.305 3.284 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc2c1CCCN2 ZINC000423408326 309398916 /nfs/dbraw/zinc/39/89/16/309398916.db2.gz ACDMIHZHYKCHQJ-UNMCSNQZSA-N 1 3 349.478 3.390 10 0 EGAEHO CC[N@@H+]1CC[C@@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000449085781 310035829 /nfs/dbraw/zinc/03/58/29/310035829.db2.gz ACZVICITUQBHAP-ZDUSSCGKSA-N 1 3 348.288 3.429 10 0 EGAEHO CC[N@H+]1CC[C@@H](CNCc2ccnc3c(Br)cccc23)C1 ZINC000449085781 310035830 /nfs/dbraw/zinc/03/58/30/310035830.db2.gz ACZVICITUQBHAP-ZDUSSCGKSA-N 1 3 348.288 3.429 10 0 EGAEHO CCN1CC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449085781 310035831 /nfs/dbraw/zinc/03/58/31/310035831.db2.gz ACZVICITUQBHAP-ZDUSSCGKSA-N 1 3 348.288 3.429 10 0 EGAEHO CCN1CC[C@H](C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449088544 310036268 /nfs/dbraw/zinc/03/62/68/310036268.db2.gz HXSFETDHNPGZHZ-AZUAARDMSA-N 1 3 329.532 3.013 10 0 EGAEHO CC(C)(O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453018285 310252944 /nfs/dbraw/zinc/25/29/44/310252944.db2.gz NXXOJCVPJVANEA-LJQANCHMSA-N 1 3 330.516 3.380 10 0 EGAEHO CC(C)(O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453018285 310252945 /nfs/dbraw/zinc/25/29/45/310252945.db2.gz NXXOJCVPJVANEA-LJQANCHMSA-N 1 3 330.516 3.380 10 0 EGAEHO COc1ccccc1-c1ncc(CNCCCC[N@H+](C)C2CC2)cn1 ZINC000453599442 310283803 /nfs/dbraw/zinc/28/38/03/310283803.db2.gz REXLYQSCFYVZLQ-UHFFFAOYSA-N 1 3 340.471 3.116 10 0 EGAEHO COc1ccccc1-c1ncc(CNCCCC[N@@H+](C)C2CC2)cn1 ZINC000453599442 310283804 /nfs/dbraw/zinc/28/38/04/310283804.db2.gz REXLYQSCFYVZLQ-UHFFFAOYSA-N 1 3 340.471 3.116 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CC1(C)C ZINC000487305166 311019688 /nfs/dbraw/zinc/01/96/88/311019688.db2.gz MJCLYWPATKPHEU-APWZRJJASA-N 1 3 343.515 3.036 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CCC)CC(C)(C)O)CC1 ZINC000513751190 312216811 /nfs/dbraw/zinc/21/68/11/312216811.db2.gz YQYQHOPBQCBGIS-UHFFFAOYSA-N 1 3 347.547 3.202 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CCC)CC(C)(C)O)CC1 ZINC000513751190 312216812 /nfs/dbraw/zinc/21/68/12/312216812.db2.gz YQYQHOPBQCBGIS-UHFFFAOYSA-N 1 3 347.547 3.202 10 0 EGAEHO CN1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000548392268 315003522 /nfs/dbraw/zinc/00/35/22/315003522.db2.gz OMEBRZBZCUOSHG-CTNGQTDRSA-N 1 3 343.515 3.203 10 0 EGAEHO CN1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000548392268 315003523 /nfs/dbraw/zinc/00/35/23/315003523.db2.gz OMEBRZBZCUOSHG-CTNGQTDRSA-N 1 3 343.515 3.203 10 0 EGAEHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941776 317130648 /nfs/dbraw/zinc/13/06/48/317130648.db2.gz KXLIHGOVCYNEAW-UXHICEINSA-N 1 3 336.483 3.004 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC(C)(C)CC3)CC2)CC1 ZINC000571775088 317246936 /nfs/dbraw/zinc/24/69/36/317246936.db2.gz PLXVJQSLMKEIKE-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000379767030 324242057 /nfs/dbraw/zinc/24/20/57/324242057.db2.gz JERMVCMLJNOZKS-SSSFQFABSA-N 1 3 328.500 3.444 10 0 EGAEHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475601 460569759 /nfs/dbraw/zinc/56/97/59/460569759.db2.gz UDVXCUWPGVOEHH-GOEBONIOSA-N 1 3 328.460 3.303 10 0 EGAEHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475601 460569766 /nfs/dbraw/zinc/56/97/66/460569766.db2.gz UDVXCUWPGVOEHH-GOEBONIOSA-N 1 3 328.460 3.303 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507065 460587916 /nfs/dbraw/zinc/58/79/16/460587916.db2.gz WFPHUQSRVJDQQZ-RBUKOAKNSA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507065 460587922 /nfs/dbraw/zinc/58/79/22/460587922.db2.gz WFPHUQSRVJDQQZ-RBUKOAKNSA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507065 460587926 /nfs/dbraw/zinc/58/79/26/460587926.db2.gz WFPHUQSRVJDQQZ-RBUKOAKNSA-N 1 3 347.572 3.066 10 0 EGAEHO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000245643716 455347235 /nfs/dbraw/zinc/34/72/35/455347235.db2.gz BEXBNKSQUNPSOV-OWZKRDHZSA-N 1 3 337.467 3.375 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534563 460599718 /nfs/dbraw/zinc/59/97/18/460599718.db2.gz UOIVRILXCZVGAL-AEFFLSMTSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534563 460599726 /nfs/dbraw/zinc/59/97/26/460599726.db2.gz UOIVRILXCZVGAL-AEFFLSMTSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N(C)C)cc1 ZINC000623534563 460599731 /nfs/dbraw/zinc/59/97/31/460599731.db2.gz UOIVRILXCZVGAL-AEFFLSMTSA-N 1 3 335.561 3.474 10 0 EGAEHO C[C@H]1[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513096 454157516 /nfs/dbraw/zinc/15/75/16/454157516.db2.gz PTFVWTCJMQBSQT-LPHOPBHVSA-N 1 3 343.515 3.029 10 0 EGAEHO Cc1ncc([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)s1 ZINC000090418230 454303041 /nfs/dbraw/zinc/30/30/41/454303041.db2.gz PXRKFDIPIFTEAK-HNNXBMFYSA-N 1 3 336.549 3.052 10 0 EGAEHO CN1CCC[C@@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000163138436 454826082 /nfs/dbraw/zinc/82/60/82/454826082.db2.gz CXJVQFQRAOXMEG-CYBMUJFWSA-N 1 3 330.398 3.092 10 0 EGAEHO CN(C[C@H](O)CC1CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190612933 455353102 /nfs/dbraw/zinc/35/31/02/455353102.db2.gz CQMRQSCWKLOEDZ-LEWJYISDSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@H](O)CC1CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000190612933 455353108 /nfs/dbraw/zinc/35/31/08/455353108.db2.gz CQMRQSCWKLOEDZ-LEWJYISDSA-N 1 3 330.516 3.382 10 0 EGAEHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000245718844 455364255 /nfs/dbraw/zinc/36/42/55/455364255.db2.gz OLNOIBMFDIAPQZ-OWYHZJEWSA-N 1 3 343.515 3.075 10 0 EGAEHO C[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000182569844 455543493 /nfs/dbraw/zinc/54/34/93/455543493.db2.gz DPVUUWWHRFYCKC-OKCRPCIYSA-N 1 3 327.516 3.033 10 0 EGAEHO C[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000182569844 455543500 /nfs/dbraw/zinc/54/35/00/455543500.db2.gz DPVUUWWHRFYCKC-OKCRPCIYSA-N 1 3 327.516 3.033 10 0 EGAEHO CC(C)CSCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182583508 455546855 /nfs/dbraw/zinc/54/68/55/455546855.db2.gz GNGWDOLTDATFPF-DFNIBXOVSA-N 1 3 339.593 3.009 10 0 EGAEHO CC(C)CSCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182583508 455546860 /nfs/dbraw/zinc/54/68/60/455546860.db2.gz GNGWDOLTDATFPF-DFNIBXOVSA-N 1 3 339.593 3.009 10 0 EGAEHO C[C@H](CCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182601047 455550898 /nfs/dbraw/zinc/55/08/98/455550898.db2.gz DWOSJXCCZDZSIS-VMSMKEMKSA-N 1 3 341.543 3.251 10 0 EGAEHO C[C@H](CCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182601047 455550901 /nfs/dbraw/zinc/55/09/01/455550901.db2.gz DWOSJXCCZDZSIS-VMSMKEMKSA-N 1 3 341.543 3.251 10 0 EGAEHO Cc1ccccc1C(=O)NC1CC[NH+](CC[C@H]2CCCCN2C)CC1 ZINC000268087790 455590888 /nfs/dbraw/zinc/59/08/88/455590888.db2.gz ICIQHQQQEOQJBS-LJQANCHMSA-N 1 3 343.515 3.064 10 0 EGAEHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000292253050 455609818 /nfs/dbraw/zinc/60/98/18/455609818.db2.gz XVGOPKHTNJDWML-OAQYLSRUSA-N 1 3 337.467 3.188 10 0 EGAEHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000292253050 455609822 /nfs/dbraw/zinc/60/98/22/455609822.db2.gz XVGOPKHTNJDWML-OAQYLSRUSA-N 1 3 337.467 3.188 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272436164 455950896 /nfs/dbraw/zinc/95/08/96/455950896.db2.gz RPMDJPYQMJHTCO-MZADTFQBSA-N 1 3 338.499 3.367 10 0 EGAEHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000353401053 456677052 /nfs/dbraw/zinc/67/70/52/456677052.db2.gz HFUCRYSNPVNFFO-KCUHQSDYSA-N 1 3 343.515 3.177 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000353432400 456695864 /nfs/dbraw/zinc/69/58/64/456695864.db2.gz BRFDELLZBVGYFZ-XMTFNYHQSA-N 1 3 333.545 3.347 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000353432400 456695871 /nfs/dbraw/zinc/69/58/71/456695871.db2.gz BRFDELLZBVGYFZ-XMTFNYHQSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000353432400 456695878 /nfs/dbraw/zinc/69/58/78/456695878.db2.gz BRFDELLZBVGYFZ-XMTFNYHQSA-N 1 3 333.545 3.347 10 0 EGAEHO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000341272759 456828484 /nfs/dbraw/zinc/82/84/84/456828484.db2.gz PRLUGKGEOSBSHZ-OALUTQOASA-N 1 3 346.515 3.454 10 0 EGAEHO CS[C@H]1CC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000425349722 457511742 /nfs/dbraw/zinc/51/17/42/457511742.db2.gz LCZWJNXWPDOGTE-OALUTQOASA-N 1 3 333.545 3.072 10 0 EGAEHO CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CS1 ZINC000364862676 457708783 /nfs/dbraw/zinc/70/87/83/457708783.db2.gz RIKKQWZITKIRMJ-ZWKOTPCHSA-N 1 3 339.593 3.056 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367592764 457965258 /nfs/dbraw/zinc/96/52/58/457965258.db2.gz FFUCRYZCBYXHPO-HMXCVIKNSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367592764 457965265 /nfs/dbraw/zinc/96/52/65/457965265.db2.gz FFUCRYZCBYXHPO-HMXCVIKNSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)on1 ZINC000367592764 457965270 /nfs/dbraw/zinc/96/52/70/457965270.db2.gz FFUCRYZCBYXHPO-HMXCVIKNSA-N 1 3 339.483 3.416 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000447543920 458308054 /nfs/dbraw/zinc/30/80/54/458308054.db2.gz UBTUVTDLIWIWJC-PLACYPQZSA-N 1 3 327.516 3.112 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000372765976 458331481 /nfs/dbraw/zinc/33/14/81/458331481.db2.gz KGQGDRFAPFSQMG-CEWLAPEOSA-N 1 3 346.515 3.312 10 0 EGAEHO COc1ccc(C[C@H]([NH2+][C@H](C)[C@H](C)N)c2ccc(OC)cc2)cc1 ZINC000423435385 458432691 /nfs/dbraw/zinc/43/26/91/458432691.db2.gz DRRRYGLGBIUGDP-MDOVXXIYSA-N 1 3 328.456 3.313 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430680408 458479525 /nfs/dbraw/zinc/47/95/25/458479525.db2.gz SKUMMXNLLISDOO-YSIASYRMSA-N 1 3 343.515 3.030 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430680408 458479528 /nfs/dbraw/zinc/47/95/28/458479528.db2.gz SKUMMXNLLISDOO-YSIASYRMSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465516 458500599 /nfs/dbraw/zinc/50/05/99/458500599.db2.gz LJIIKHYRKCUUSO-GUSVMJMASA-N 1 3 327.516 3.428 10 0 EGAEHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCOc1ccccc1 ZINC000438113958 458535087 /nfs/dbraw/zinc/53/50/87/458535087.db2.gz CYMFNZNIDVYVTB-RLLQIKCJSA-N 1 3 332.488 3.029 10 0 EGAEHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCOc1ccccc1 ZINC000438113959 458535993 /nfs/dbraw/zinc/53/59/93/458535993.db2.gz CYMFNZNIDVYVTB-YZGWKJHDSA-N 1 3 332.488 3.029 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424367731 458626786 /nfs/dbraw/zinc/62/67/86/458626786.db2.gz NOTAPZIWNVLEQO-COLVAYQJSA-N 1 3 329.257 3.379 10 0 EGAEHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789817 458653872 /nfs/dbraw/zinc/65/38/72/458653872.db2.gz SKHJPSMWMITZPS-QGZVFWFLSA-N 1 3 332.488 3.463 10 0 EGAEHO CCCC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000555774130 458910379 /nfs/dbraw/zinc/91/03/79/458910379.db2.gz UBMJNVAZUQTBBW-UHFFFAOYSA-N 1 3 335.536 3.164 10 0 EGAEHO CCCC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000555774130 458910384 /nfs/dbraw/zinc/91/03/84/458910384.db2.gz UBMJNVAZUQTBBW-UHFFFAOYSA-N 1 3 335.536 3.164 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983908 459012969 /nfs/dbraw/zinc/01/29/69/459012969.db2.gz MEGHLGRYKDJMSX-IAGOWNOFSA-N 1 3 331.504 3.459 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983908 459012973 /nfs/dbraw/zinc/01/29/73/459012973.db2.gz MEGHLGRYKDJMSX-IAGOWNOFSA-N 1 3 331.504 3.459 10 0 EGAEHO C[C@H]([NH2+]CC1(N)CCCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000520216664 459039305 /nfs/dbraw/zinc/03/93/05/459039305.db2.gz KQTFUUFUOHIIIO-AZUAARDMSA-N 1 3 345.531 3.090 10 0 EGAEHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578049449 459138672 /nfs/dbraw/zinc/13/86/72/459138672.db2.gz CWAOEGCQSIOBGI-GOSISDBHSA-N 1 3 344.503 3.325 10 0 EGAEHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000578049449 459138677 /nfs/dbraw/zinc/13/86/77/459138677.db2.gz CWAOEGCQSIOBGI-GOSISDBHSA-N 1 3 344.503 3.325 10 0 EGAEHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000595013554 459215344 /nfs/dbraw/zinc/21/53/44/459215344.db2.gz JRDWZDMXLTVRNR-MRXNPFEDSA-N 1 3 347.503 3.256 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000560521480 459364713 /nfs/dbraw/zinc/36/47/13/459364713.db2.gz RZVZJUCKEZOWTN-XSDIEEQYSA-N 1 3 327.516 3.286 10 0 EGAEHO CN(C)CC(C)(C)C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000582904330 459449686 /nfs/dbraw/zinc/44/96/86/459449686.db2.gz MVGVHOWXXICTJI-IBGZPJMESA-N 1 3 329.532 3.361 10 0 EGAEHO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2cc(OC(F)F)ccc2n1 ZINC000486030654 459484291 /nfs/dbraw/zinc/48/42/91/459484291.db2.gz SVFUTXYSYOGDNF-BETUJISGSA-N 1 3 333.382 3.142 10 0 EGAEHO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2cc(OC(F)F)ccc2n1 ZINC000486030654 459484296 /nfs/dbraw/zinc/48/42/96/459484296.db2.gz SVFUTXYSYOGDNF-BETUJISGSA-N 1 3 333.382 3.142 10 0 EGAEHO CCO[C@@H](C[N@H+](C)CCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000625286280 460107720 /nfs/dbraw/zinc/10/77/20/460107720.db2.gz UBJDEEXFYDQELC-FQEVSTJZSA-N 1 3 331.504 3.435 10 0 EGAEHO CCO[C@@H](C[N@@H+](C)CCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000625286280 460107729 /nfs/dbraw/zinc/10/77/29/460107729.db2.gz UBJDEEXFYDQELC-FQEVSTJZSA-N 1 3 331.504 3.435 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CC2(N)CCOCC2)c2cccc(Br)c21 ZINC000629519607 460793233 /nfs/dbraw/zinc/79/32/33/460793233.db2.gz BVULYQBBDGNMIM-FZMZJTMJSA-N 1 3 339.277 3.095 10 0 EGAEHO C[NH2+]CCOCCN[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000629529986 460797229 /nfs/dbraw/zinc/79/72/29/460797229.db2.gz SADXPCBEEAOWSR-ZDUSSCGKSA-N 1 3 333.259 3.033 10 0 EGAEHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCCOCCC[NH3+] ZINC000629542488 460802118 /nfs/dbraw/zinc/80/21/18/460802118.db2.gz ZANLLOWWYGSLEL-CQSZACIVSA-N 1 3 333.501 3.443 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3cccc(C)c3C2)[C@@H](C)C1 ZINC000624072090 460845994 /nfs/dbraw/zinc/84/59/94/460845994.db2.gz UANMWUKOUCBBOR-NSHGMRRFSA-N 1 3 346.515 3.025 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3cccc(C)c3C2)[C@@H](C)C1 ZINC000624072090 460845999 /nfs/dbraw/zinc/84/59/99/460845999.db2.gz UANMWUKOUCBBOR-NSHGMRRFSA-N 1 3 346.515 3.025 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624224098 460917917 /nfs/dbraw/zinc/91/79/17/460917917.db2.gz MNWSWKRMVOSBBF-CZAAIQMYSA-N 1 3 328.500 3.239 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000608061888 460974826 /nfs/dbraw/zinc/97/48/26/460974826.db2.gz CBQNIBPDWIZQJB-OAHLLOKOSA-N 1 3 332.488 3.230 10 0 EGAEHO O[C@H]1CCN(C2CC[NH+](CCCCc3cccc(Cl)c3)CC2)C1 ZINC000621322219 460987148 /nfs/dbraw/zinc/98/71/48/460987148.db2.gz NWJAYIVWGPIDAI-IBGZPJMESA-N 1 3 336.907 3.194 10 0 EGAEHO c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c2c(c1)C[NH2+]CC2 ZINC000662255806 461144357 /nfs/dbraw/zinc/14/43/57/461144357.db2.gz DQEVOZZGTAWOKA-IBGZPJMESA-N 1 3 336.435 3.398 10 0 EGAEHO C[C@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)c(Cl)cc1Cl ZINC000662280823 461162887 /nfs/dbraw/zinc/16/28/87/461162887.db2.gz GBQMUBRVDPRWTE-UWVGGRQHSA-N 1 3 333.234 3.304 10 0 EGAEHO O=C(C[C@@H]1NCc2ccccc21)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000659288665 461275353 /nfs/dbraw/zinc/27/53/53/461275353.db2.gz NBZGEZUDZITELM-NRFANRHFSA-N 1 3 349.478 3.498 10 0 EGAEHO C[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000668625666 461358143 /nfs/dbraw/zinc/35/81/43/461358143.db2.gz XSLDTYJYQSDCDZ-MSOLQXFVSA-N 1 3 332.488 3.161 10 0 EGAEHO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000655719662 461389023 /nfs/dbraw/zinc/38/90/23/461389023.db2.gz USUUXQCUTMPQLD-YJBOKZPZSA-N 1 3 334.529 3.017 10 0 EGAEHO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647343736 461647952 /nfs/dbraw/zinc/64/79/52/461647952.db2.gz BCKSJQCFRXMRQR-DBVUQKKJSA-N 1 3 326.488 3.460 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631223270 461653156 /nfs/dbraw/zinc/65/31/56/461653156.db2.gz ZOUSIVOGWNNYIJ-XQZMSQOBSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631223270 461653162 /nfs/dbraw/zinc/65/31/62/461653162.db2.gz ZOUSIVOGWNNYIJ-XQZMSQOBSA-N 1 3 347.300 3.304 10 0 EGAEHO Clc1ccc2c(c1Cl)OC[C@@H]2N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789775 461835338 /nfs/dbraw/zinc/83/53/38/461835338.db2.gz LGRZXXQIKZVBLN-DYNIEEOBSA-N 1 3 327.255 3.405 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)N[C@@H]1CCC[NH2+]CC1 ZINC000666857941 461838767 /nfs/dbraw/zinc/83/87/67/461838767.db2.gz QOGTZIXGLKKBLX-SMDDNHRTSA-N 1 3 329.257 3.251 10 0 EGAEHO c1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000639337734 461868513 /nfs/dbraw/zinc/86/85/13/461868513.db2.gz OKVPDLVUBLFFGO-VQTJNVASSA-N 1 3 327.516 3.225 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000650719520 461911044 /nfs/dbraw/zinc/91/10/44/461911044.db2.gz SIIAZKGHIMMANP-AWEZNQCLSA-N 1 3 329.419 3.052 10 0 EGAEHO CCN(CC)[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)c1ccccc1 ZINC000657286814 462017437 /nfs/dbraw/zinc/01/74/37/462017437.db2.gz RUWLHUHSZOKKIF-OAQYLSRUSA-N 1 3 349.482 3.440 10 0 EGAEHO CC[NH+](CC)[C@H](CNCc1ccnn1-c1ccncc1)c1ccccc1 ZINC000657286814 462017444 /nfs/dbraw/zinc/01/74/44/462017444.db2.gz RUWLHUHSZOKKIF-OAQYLSRUSA-N 1 3 349.482 3.440 10 0 EGAEHO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000657452500 462134005 /nfs/dbraw/zinc/13/40/05/462134005.db2.gz GJEBOKPYOIGPOV-GOSISDBHSA-N 1 3 338.499 3.299 10 0 EGAEHO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657595364 462196261 /nfs/dbraw/zinc/19/62/61/462196261.db2.gz HEGSUDDYEYHNTK-WMQCIHAUSA-N 1 3 328.500 3.335 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc4occc4c3)cc2)C1 ZINC000657596203 462196719 /nfs/dbraw/zinc/19/67/19/462196719.db2.gz MCUGSKHOSMHBPN-HXUWFJFHSA-N 1 3 336.435 3.289 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4occc4c3)cc2)C1 ZINC000657596203 462196724 /nfs/dbraw/zinc/19/67/24/462196724.db2.gz MCUGSKHOSMHBPN-HXUWFJFHSA-N 1 3 336.435 3.289 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(Cl)c3)cc2)C1 ZINC000657594357 462197713 /nfs/dbraw/zinc/19/77/13/462197713.db2.gz PKJHRKHYBOXEAC-IBGZPJMESA-N 1 3 330.859 3.196 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(Cl)c3)cc2)C1 ZINC000657594357 462197718 /nfs/dbraw/zinc/19/77/18/462197718.db2.gz PKJHRKHYBOXEAC-IBGZPJMESA-N 1 3 330.859 3.196 10 0 EGAEHO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657597679 462198677 /nfs/dbraw/zinc/19/86/77/462198677.db2.gz WLGZZXYWYWNLBT-HRAATJIYSA-N 1 3 342.458 3.113 10 0 EGAEHO CC[C@@H]1C[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774131 462261170 /nfs/dbraw/zinc/26/11/70/462261170.db2.gz XHFAQBRQBBZDQQ-XUVXKRRUSA-N 1 3 328.500 3.446 10 0 EGAEHO CC[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774131 462261176 /nfs/dbraw/zinc/26/11/76/462261176.db2.gz XHFAQBRQBBZDQQ-XUVXKRRUSA-N 1 3 328.500 3.446 10 0 EGAEHO CN(c1ccccc1C[NH2+]C[C@H]1CCOC1(C)C)C1CCN(C)CC1 ZINC000657785783 462264990 /nfs/dbraw/zinc/26/49/90/462264990.db2.gz NVVPXSOBCZYALJ-GOSISDBHSA-N 1 3 345.531 3.122 10 0 EGAEHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)c1ccccn1 ZINC000658063631 462363624 /nfs/dbraw/zinc/36/36/24/462363624.db2.gz KQVSPFQOJMXREC-IRXDYDNUSA-N 1 3 327.472 3.476 10 0 EGAEHO COc1ccsc1[C@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658069260 462365888 /nfs/dbraw/zinc/36/58/88/462365888.db2.gz FAGIIFAWYFLWGR-AWEZNQCLSA-N 1 3 338.517 3.298 10 0 EGAEHO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658143025 462404787 /nfs/dbraw/zinc/40/47/87/462404787.db2.gz GBDGLUVGURNLMR-PGRDOPGGSA-N 1 3 338.495 3.364 10 0 EGAEHO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658143028 462405362 /nfs/dbraw/zinc/40/53/62/462405362.db2.gz GBDGLUVGURNLMR-XMSQKQJNSA-N 1 3 338.495 3.364 10 0 EGAEHO C[N@H+](CCC[C@H]1CCOC1)CCC1CCN(c2ccncc2)CC1 ZINC000645845077 462443809 /nfs/dbraw/zinc/44/38/09/462443809.db2.gz AFMUSDKDKGUKLD-IBGZPJMESA-N 1 3 331.504 3.437 10 0 EGAEHO C[N@@H+](CCC[C@H]1CCOC1)CCC1CCN(c2ccncc2)CC1 ZINC000645845077 462443814 /nfs/dbraw/zinc/44/38/14/462443814.db2.gz AFMUSDKDKGUKLD-IBGZPJMESA-N 1 3 331.504 3.437 10 0 EGAEHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339164 462480895 /nfs/dbraw/zinc/48/08/95/462480895.db2.gz QTNZHIJCBZBLIG-PKOBYXMFSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CC(N)=O)CCCCC2)CC1 ZINC000658339164 462480898 /nfs/dbraw/zinc/48/08/98/462480898.db2.gz QTNZHIJCBZBLIG-PKOBYXMFSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000652246186 462488071 /nfs/dbraw/zinc/48/80/71/462488071.db2.gz MSTCUVGFOQYGIQ-KKSFZXQISA-N 1 3 346.515 3.483 10 0 EGAEHO C[C@H](O)[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361146 462489739 /nfs/dbraw/zinc/48/97/39/462489739.db2.gz KWTAOAPDJWMGPB-FIKGOQFSSA-N 1 3 342.483 3.400 10 0 EGAEHO CCN1CCN([C@@H]2CCN(c3c(C)c[nH+]c4c(C)cccc43)C2)CC1 ZINC000185302164 529151340 /nfs/dbraw/zinc/15/13/40/529151340.db2.gz HNBUJUVMXWQQPM-GOSISDBHSA-N 1 3 338.499 3.068 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000671744381 548351491 /nfs/dbraw/zinc/35/14/91/548351491.db2.gz BGRUSAHBBNQZLR-LRSLUSHPSA-N 1 3 341.543 3.361 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OCC)C2)CC1 ZINC000676414310 549085066 /nfs/dbraw/zinc/08/50/66/549085066.db2.gz TYCAMROMZSURSU-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](OCC)C2)CC1 ZINC000676414310 549085068 /nfs/dbraw/zinc/08/50/68/549085068.db2.gz TYCAMROMZSURSU-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684410900 550326731 /nfs/dbraw/zinc/32/67/31/550326731.db2.gz COIKAJMACYNKNT-BBRMVZONSA-N 1 3 330.394 3.400 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000300532754 1296783216 /nfs/dbraw/zinc/78/32/16/1296783216.db2.gz VSRGUFVTDASGHC-ZFWWWQNUSA-N 1 3 325.294 3.312 10 0 EGAEHO C[NH+]1CCC2(CCN(Cc3ccncc3Br)CC2)CC1 ZINC000702909192 1298197236 /nfs/dbraw/zinc/19/72/36/1298197236.db2.gz YXWPBROUUOHQFX-UHFFFAOYSA-N 1 3 338.293 3.152 10 0 EGAEHO CN(Cc1ccccc1)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000717553370 1298302508 /nfs/dbraw/zinc/30/25/08/1298302508.db2.gz DBDNVAKBPDCACP-QFIPXVFZSA-N 1 3 338.495 3.491 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@H](CN1CC[C@H](CO)C1)c1ccccc1 ZINC000929697104 1328670274 /nfs/dbraw/zinc/67/02/74/1328670274.db2.gz QNTNVTSCOHNWJS-RBBKRZOGSA-N 1 3 338.495 3.216 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@H](CO)C1)c1ccccc1 ZINC000929697104 1328670281 /nfs/dbraw/zinc/67/02/81/1328670281.db2.gz QNTNVTSCOHNWJS-RBBKRZOGSA-N 1 3 338.495 3.216 10 0 EGAEHO Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCN2CCC(C)CC2)n(C)n1 ZINC000924580952 1323062332 /nfs/dbraw/zinc/06/23/32/1323062332.db2.gz ZSQQMDYPDLZIDZ-QUCCMNQESA-N 1 3 332.536 3.151 10 0 EGAEHO C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512934 1325185467 /nfs/dbraw/zinc/18/54/67/1325185467.db2.gz CXXWNHIEFJJFPX-DFBGVHRSSA-N 1 3 339.277 3.076 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925524347 1325190370 /nfs/dbraw/zinc/19/03/70/1325190370.db2.gz RQVUYZGTIRABTO-NXHRZFHOSA-N 1 3 332.488 3.220 10 0 EGAEHO c1ccc(C2(C[NH2+][C@H]3CCNC[C@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544336 1325200053 /nfs/dbraw/zinc/20/00/53/1325200053.db2.gz QALNKUIVRKAYIM-SFTDATJTSA-N 1 3 342.527 3.493 10 0 EGAEHO CCOCCOCc1cccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548998 1325203425 /nfs/dbraw/zinc/20/34/25/1325203425.db2.gz WBHODQCPVQCNOO-RTBURBONSA-N 1 3 334.504 3.235 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000925581530 1325219593 /nfs/dbraw/zinc/21/95/93/1325219593.db2.gz ZVLPQECCMBGRGE-RTBURBONSA-N 1 3 343.515 3.308 10 0 EGAEHO [NH3+][C@@H]1C[C@H](NCC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594275 1325224785 /nfs/dbraw/zinc/22/47/85/1325224785.db2.gz QDSLWMCOSWIOHD-SJORKVTESA-N 1 3 334.891 3.248 10 0 EGAEHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000925703623 1325265676 /nfs/dbraw/zinc/26/56/76/1325265676.db2.gz DJTFDJQKYCRDFK-NRVIEEGESA-N 1 3 346.490 3.314 10 0 EGAEHO OC[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728721 1325272123 /nfs/dbraw/zinc/27/21/23/1325272123.db2.gz HBKUSOTWXUWZDU-QXAKKESOSA-N 1 3 336.907 3.174 10 0 EGAEHO OC[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728721 1325272131 /nfs/dbraw/zinc/27/21/31/1325272131.db2.gz HBKUSOTWXUWZDU-QXAKKESOSA-N 1 3 336.907 3.174 10 0 EGAEHO Cc1ccc(C[C@@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)cc1 ZINC000925793497 1325304033 /nfs/dbraw/zinc/30/40/33/1325304033.db2.gz DFQABLXANGMXOX-VQTJNVASSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1c2ccccc2oc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857873 1325333288 /nfs/dbraw/zinc/33/32/88/1325333288.db2.gz WZLPMEVIMAGGIE-CABCVRRESA-N 1 3 342.439 3.077 10 0 EGAEHO C[C@H](C[NH2+][C@@H]1CCCc2ncc(Br)cc21)CN(C)C ZINC000926473609 1325566751 /nfs/dbraw/zinc/56/67/51/1325566751.db2.gz MFIKWROSEWJWIF-BXUZGUMPSA-N 1 3 326.282 3.009 10 0 EGAEHO COC(=O)c1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)n(C)c1C ZINC000926856308 1327742347 /nfs/dbraw/zinc/74/23/47/1327742347.db2.gz RKCVCBUKIPSOOF-AWEZNQCLSA-N 1 3 343.471 3.033 10 0 EGAEHO c1ccc([C@@H]2C[C@H](NCCOC3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000927076667 1327845961 /nfs/dbraw/zinc/84/59/61/1327845961.db2.gz LOPPBORUGAXPKL-NQIIRXRSSA-N 1 3 344.499 3.140 10 0 EGAEHO c1ccc([C@@H]2C[C@H](NCCOC3CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000927076667 1327845966 /nfs/dbraw/zinc/84/59/66/1327845966.db2.gz LOPPBORUGAXPKL-NQIIRXRSSA-N 1 3 344.499 3.140 10 0 EGAEHO NC1(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CCOCC1 ZINC000863541532 1329561841 /nfs/dbraw/zinc/56/18/41/1329561841.db2.gz NYOABAIXACOBOA-HNNXBMFYSA-N 1 3 342.455 3.476 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734058681 1437850458 /nfs/dbraw/zinc/85/04/58/1437850458.db2.gz LHRXDDZPSKOGHM-QZTJIDSGSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001323287752 1387324341 /nfs/dbraw/zinc/32/43/41/1387324341.db2.gz UHUGARSGXPFWJT-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001323287752 1387324347 /nfs/dbraw/zinc/32/43/47/1387324347.db2.gz UHUGARSGXPFWJT-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001323671069 1387421338 /nfs/dbraw/zinc/42/13/38/1387421338.db2.gz YOTCAQSLCBSFBW-BQPQQLJHSA-N 1 3 335.536 3.185 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860705 1387482063 /nfs/dbraw/zinc/48/20/63/1387482063.db2.gz UKFRUWGVJHTXLM-RXDZQLDNSA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860705 1387482065 /nfs/dbraw/zinc/48/20/65/1387482065.db2.gz UKFRUWGVJHTXLM-RXDZQLDNSA-N 1 3 349.563 3.243 10 0 EGAEHO CCc1ccc(C[NH+]2CCC(C)(NC(=O)CN(C)C(C)C)CC2)cc1 ZINC001324342991 1387601834 /nfs/dbraw/zinc/60/18/34/1387601834.db2.gz MVKXXWUPCBSTDN-UHFFFAOYSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C)N(CC)CC ZINC001324538305 1387663888 /nfs/dbraw/zinc/66/38/88/1387663888.db2.gz ZGXHAXISNUMLFN-QYZOEREBSA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C)N(CC)CC ZINC001324538305 1387663891 /nfs/dbraw/zinc/66/38/91/1387663891.db2.gz ZGXHAXISNUMLFN-QYZOEREBSA-N 1 3 337.552 3.218 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001324742861 1387759012 /nfs/dbraw/zinc/75/90/12/1387759012.db2.gz USQFJPBACNYSLS-FQEVSTJZSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788782 1387772768 /nfs/dbraw/zinc/77/27/68/1387772768.db2.gz LETLYAVIUHKEJY-GHTZIAJQSA-N 1 3 349.563 3.127 10 0 EGAEHO CCC1(CC)CNC(=O)[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001198104830 1368960555 /nfs/dbraw/zinc/96/05/55/1368960555.db2.gz SPYYEWYVIJQVRF-IBGZPJMESA-N 1 3 343.515 3.067 10 0 EGAEHO CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001326457630 1388197200 /nfs/dbraw/zinc/19/72/00/1388197200.db2.gz CXQVVJIGDJTOSK-SFHVURJKSA-N 1 3 343.515 3.043 10 0 EGAEHO CC(C)=CC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001326457630 1388197206 /nfs/dbraw/zinc/19/72/06/1388197206.db2.gz CXQVVJIGDJTOSK-SFHVURJKSA-N 1 3 343.515 3.043 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001326512606 1388225244 /nfs/dbraw/zinc/22/52/44/1388225244.db2.gz IMUUTZVCEPTOEO-WGSAOQKQSA-N 1 3 349.563 3.482 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001265708134 1377163249 /nfs/dbraw/zinc/16/32/49/1377163249.db2.gz KCQKUYQHPJXHMI-ANBQXBGZSA-N 1 3 346.519 3.224 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001265708134 1377163252 /nfs/dbraw/zinc/16/32/52/1377163252.db2.gz KCQKUYQHPJXHMI-ANBQXBGZSA-N 1 3 346.519 3.224 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001327488851 1388533756 /nfs/dbraw/zinc/53/37/56/1388533756.db2.gz SFZBWRZPLRVTPE-SREVYHEPSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541839 1388556456 /nfs/dbraw/zinc/55/64/56/1388556456.db2.gz RGNOMCDGEPGARW-QQUYBBDPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541839 1388556458 /nfs/dbraw/zinc/55/64/58/1388556458.db2.gz RGNOMCDGEPGARW-QQUYBBDPSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069428 1379429886 /nfs/dbraw/zinc/42/98/86/1379429886.db2.gz QHSOBLJGHMJUAW-HBFSDRIKSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069428 1379429891 /nfs/dbraw/zinc/42/98/91/1379429891.db2.gz QHSOBLJGHMJUAW-HBFSDRIKSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001328051597 1388654825 /nfs/dbraw/zinc/65/48/25/1388654825.db2.gz WHXNXKCCHWLCOO-SFHVURJKSA-N 1 3 349.494 3.081 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001328460145 1388751130 /nfs/dbraw/zinc/75/11/30/1388751130.db2.gz ZDYWMOZMGCDFDR-AZUAARDMSA-N 1 3 345.531 3.162 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001316997934 1384755119 /nfs/dbraw/zinc/75/51/19/1384755119.db2.gz HVXSQLUXHSESLW-RKQNLGICSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCC(C)C)CC[C@H]21 ZINC001317099305 1384862354 /nfs/dbraw/zinc/86/23/54/1384862354.db2.gz AOSNEJXZGHWYGF-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC(C)C)CC[C@H]21 ZINC001317099305 1384862362 /nfs/dbraw/zinc/86/23/62/1384862362.db2.gz AOSNEJXZGHWYGF-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001317139254 1384905207 /nfs/dbraw/zinc/90/52/07/1384905207.db2.gz IIKBKIPEMWNKPY-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001317139254 1384905209 /nfs/dbraw/zinc/90/52/09/1384905209.db2.gz IIKBKIPEMWNKPY-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317140687 1384908347 /nfs/dbraw/zinc/90/83/47/1384908347.db2.gz RSQLGBTUZNARDS-XSXCZSQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001317140687 1384908351 /nfs/dbraw/zinc/90/83/51/1384908351.db2.gz RSQLGBTUZNARDS-XSXCZSQGSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001317140608 1384908381 /nfs/dbraw/zinc/90/83/81/1384908381.db2.gz RFSIJKBHSQFZDQ-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001317140608 1384908384 /nfs/dbraw/zinc/90/83/84/1384908384.db2.gz RFSIJKBHSQFZDQ-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207705 1384983100 /nfs/dbraw/zinc/98/31/00/1384983100.db2.gz WJWRCZXMMBWCDE-DOTOQJQBSA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207705 1384983103 /nfs/dbraw/zinc/98/31/03/1384983103.db2.gz WJWRCZXMMBWCDE-DOTOQJQBSA-N 1 3 334.508 3.058 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001317483437 1385180113 /nfs/dbraw/zinc/18/01/13/1385180113.db2.gz FBEMMBHTDJUNKS-BQFCYCMXSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001317483437 1385180114 /nfs/dbraw/zinc/18/01/14/1385180114.db2.gz FBEMMBHTDJUNKS-BQFCYCMXSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCC[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001317725328 1385425215 /nfs/dbraw/zinc/42/52/15/1385425215.db2.gz SIHOHXVESRQQJJ-ICSRJNTNSA-N 1 3 345.531 3.498 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001318978873 1385907212 /nfs/dbraw/zinc/90/72/12/1385907212.db2.gz LGDCHKKJPGXQJD-GUDVDZBRSA-N 1 3 349.563 3.170 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001319224502 1386013680 /nfs/dbraw/zinc/01/36/80/1386013680.db2.gz IITDCAQVPFNYSS-CVEARBPZSA-N 1 3 349.494 3.103 10 0 EGAEHO C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001319377016 1386090284 /nfs/dbraw/zinc/09/02/84/1386090284.db2.gz FEGIXKUXVHMHKZ-IAGOWNOFSA-N 1 3 341.515 3.018 10 0 EGAEHO CCCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCCC1 ZINC001319389540 1386099598 /nfs/dbraw/zinc/09/95/98/1386099598.db2.gz NJNCTVXWHFBKGY-SFHVURJKSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001319663168 1386241579 /nfs/dbraw/zinc/24/15/79/1386241579.db2.gz MFHLKDPNYYSRJP-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1)N(C)C ZINC001698681374 1406329261 /nfs/dbraw/zinc/32/92/61/1406329261.db2.gz BVYZAOGYNQOVJE-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001698706998 1406349030 /nfs/dbraw/zinc/34/90/30/1406349030.db2.gz GSGFEENEZYCFTD-CXLTZZKYSA-N 1 3 335.536 3.233 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001329201702 1389018876 /nfs/dbraw/zinc/01/88/76/1389018876.db2.gz FEXVGWMNBVDUCY-SJORKVTESA-N 1 3 341.499 3.163 10 0 EGAEHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329730595 1389210724 /nfs/dbraw/zinc/21/07/24/1389210724.db2.gz GAFYZLVUBXTXRI-CABCVRRESA-N 1 3 327.513 3.094 10 0 EGAEHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001329730595 1389210727 /nfs/dbraw/zinc/21/07/27/1389210727.db2.gz GAFYZLVUBXTXRI-CABCVRRESA-N 1 3 327.513 3.094 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001329861411 1389238780 /nfs/dbraw/zinc/23/87/80/1389238780.db2.gz QKKRPHUOSCQOPL-CEXWTWQISA-N 1 3 349.563 3.172 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075343 1389622091 /nfs/dbraw/zinc/62/20/91/1389622091.db2.gz VYEKPPJTFMDRRP-SFHVURJKSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075343 1389622096 /nfs/dbraw/zinc/62/20/96/1389622096.db2.gz VYEKPPJTFMDRRP-SFHVURJKSA-N 1 3 345.531 3.319 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001332140722 1390004727 /nfs/dbraw/zinc/00/47/27/1390004727.db2.gz PACJTGILVAWWLU-CEXWTWQISA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001332158102 1390011345 /nfs/dbraw/zinc/01/13/45/1390011345.db2.gz KDLQQFLVDROJGZ-ZCNNSNEGSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001332788821 1390188758 /nfs/dbraw/zinc/18/87/58/1390188758.db2.gz KDXWMRJGDUZLDD-QZTJIDSGSA-N 1 3 339.568 3.416 10 0 EGAEHO CCCc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001333141427 1390255924 /nfs/dbraw/zinc/25/59/24/1390255924.db2.gz OPYDBKIMNRMSGM-SOAGJPPSSA-N 1 3 345.531 3.058 10 0 EGAEHO C[C@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698834620 1406529822 /nfs/dbraw/zinc/52/98/22/1406529822.db2.gz FHZKKGQCRVOFJR-CVEARBPZSA-N 1 3 349.494 3.198 10 0 EGAEHO CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001479249164 1392199413 /nfs/dbraw/zinc/19/94/13/1392199413.db2.gz FCJQPHPFCITLQO-PKOBYXMFSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001479476907 1392251648 /nfs/dbraw/zinc/25/16/48/1392251648.db2.gz YXKKOAPVQOCGFI-YZGWKJHDSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001479585879 1392281502 /nfs/dbraw/zinc/28/15/02/1392281502.db2.gz MSOWEXVKXMSPIX-XLIONFOSSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001479695687 1392325786 /nfs/dbraw/zinc/32/57/86/1392325786.db2.gz ZHRSFWLLSHLTFN-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)=CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001479713531 1392333954 /nfs/dbraw/zinc/33/39/54/1392333954.db2.gz YKHLDSOUGIBMCL-MSOLQXFVSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729879 1392341187 /nfs/dbraw/zinc/34/11/87/1392341187.db2.gz MPKVFAPTHKNAAU-ZRAQOITDSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729879 1392341191 /nfs/dbraw/zinc/34/11/91/1392341191.db2.gz MPKVFAPTHKNAAU-ZRAQOITDSA-N 1 3 335.536 3.042 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479821023 1392411518 /nfs/dbraw/zinc/41/15/18/1392411518.db2.gz DHIDGWQKMIDHBV-YLJYHZDGSA-N 1 3 349.563 3.410 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001479910072 1392477557 /nfs/dbraw/zinc/47/75/57/1392477557.db2.gz FCUVDYBQHRVYQM-WOJBJXKFSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085177 1392575150 /nfs/dbraw/zinc/57/51/50/1392575150.db2.gz QJALRQNYEDOWBH-RTBURBONSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480085177 1392575153 /nfs/dbraw/zinc/57/51/53/1392575153.db2.gz QJALRQNYEDOWBH-RTBURBONSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001480168243 1392607492 /nfs/dbraw/zinc/60/74/92/1392607492.db2.gz BAWYZJKDRMJBPB-MXVIHJGJSA-N 1 3 343.515 3.033 10 0 EGAEHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)CCC1 ZINC001480350120 1392699437 /nfs/dbraw/zinc/69/94/37/1392699437.db2.gz PUKIPHAPMMDALN-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001480361657 1392706040 /nfs/dbraw/zinc/70/60/40/1392706040.db2.gz SEMPUKDXLLLVQG-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)c1 ZINC001481198965 1393148583 /nfs/dbraw/zinc/14/85/83/1393148583.db2.gz BVJXNVVQQYPGMU-UHFFFAOYSA-N 1 3 345.531 3.379 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)c1 ZINC001481198965 1393148584 /nfs/dbraw/zinc/14/85/84/1393148584.db2.gz BVJXNVVQQYPGMU-UHFFFAOYSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001698900604 1406633030 /nfs/dbraw/zinc/63/30/30/1406633030.db2.gz JEWGMONYCHAMIC-MJGOQNOKSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001490594922 1394277640 /nfs/dbraw/zinc/27/76/40/1394277640.db2.gz JURWMDMVVJMGPN-SFHVURJKSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001481432769 1394288528 /nfs/dbraw/zinc/28/85/28/1394288528.db2.gz PUCAVFVUQXEKOW-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001481432769 1394288533 /nfs/dbraw/zinc/28/85/33/1394288533.db2.gz PUCAVFVUQXEKOW-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001481451611 1394307940 /nfs/dbraw/zinc/30/79/40/1394307940.db2.gz IWYYRJHZMRISCG-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001481451611 1394307947 /nfs/dbraw/zinc/30/79/47/1394307947.db2.gz IWYYRJHZMRISCG-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N1CCCC1 ZINC001481709826 1394469004 /nfs/dbraw/zinc/46/90/04/1394469004.db2.gz SMYWHWPAHMXCSB-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N1CCCC1 ZINC001481709826 1394469005 /nfs/dbraw/zinc/46/90/05/1394469005.db2.gz SMYWHWPAHMXCSB-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001482173453 1394786481 /nfs/dbraw/zinc/78/64/81/1394786481.db2.gz LTGDQKNJCKXPAT-OAHLLOKOSA-N 1 3 347.528 3.083 10 0 EGAEHO CCCCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001482219862 1394813237 /nfs/dbraw/zinc/81/32/37/1394813237.db2.gz PMHLMTXFYJJMCT-UHFFFAOYSA-N 1 3 337.552 3.460 10 0 EGAEHO C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482331827 1394901568 /nfs/dbraw/zinc/90/15/68/1394901568.db2.gz VDOMASHVWSNDJO-INIZCTEOSA-N 1 3 327.557 3.227 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001482454115 1395012755 /nfs/dbraw/zinc/01/27/55/1395012755.db2.gz FQTSVAYZGQKPCQ-RBUKOAKNSA-N 1 3 347.547 3.022 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060942 1395224570 /nfs/dbraw/zinc/22/45/70/1395224570.db2.gz NDXQZXMBXSJKDX-PXNSSMCTSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060942 1395224572 /nfs/dbraw/zinc/22/45/72/1395224572.db2.gz NDXQZXMBXSJKDX-PXNSSMCTSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001484170394 1395309349 /nfs/dbraw/zinc/30/93/49/1395309349.db2.gz PGFZQRBACAMEDX-UYAOXDASSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001484170394 1395309354 /nfs/dbraw/zinc/30/93/54/1395309354.db2.gz PGFZQRBACAMEDX-UYAOXDASSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001484170393 1395310005 /nfs/dbraw/zinc/31/00/05/1395310005.db2.gz PGFZQRBACAMEDX-QUCCMNQESA-N 1 3 337.552 3.268 10 0 EGAEHO CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001484170393 1395310007 /nfs/dbraw/zinc/31/00/07/1395310007.db2.gz PGFZQRBACAMEDX-QUCCMNQESA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1)N(CC)CC ZINC001484463444 1395397751 /nfs/dbraw/zinc/39/77/51/1395397751.db2.gz JPGJLCXIWWLKLW-VAMGGRTRSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1)N(CC)CC ZINC001484463444 1395397755 /nfs/dbraw/zinc/39/77/55/1395397755.db2.gz JPGJLCXIWWLKLW-VAMGGRTRSA-N 1 3 349.563 3.362 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001715998700 1420452592 /nfs/dbraw/zinc/45/25/92/1420452592.db2.gz RNLCOHSDZUFSRT-DLBZAZTESA-N 1 3 325.541 3.170 10 0 EGAEHO CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001484561920 1395447581 /nfs/dbraw/zinc/44/75/81/1395447581.db2.gz SKPVBDGOZNPNQX-MGPUTAFESA-N 1 3 349.494 3.186 10 0 EGAEHO CC[C@H](C(=O)NC1CC(C[NH2+]CCC2CCCCCC2)C1)N(C)C ZINC001485096366 1395657664 /nfs/dbraw/zinc/65/76/64/1395657664.db2.gz YMKGWKDXGHNSMV-CTWPCTMYSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001485356235 1395830749 /nfs/dbraw/zinc/83/07/49/1395830749.db2.gz AZMNBDVWDRGCHW-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001485356235 1395830729 /nfs/dbraw/zinc/83/07/29/1395830729.db2.gz AZMNBDVWDRGCHW-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001491966454 1396301584 /nfs/dbraw/zinc/30/15/84/1396301584.db2.gz ZFUPOBTZXWTETL-PMACEKPBSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001491966454 1396301585 /nfs/dbraw/zinc/30/15/85/1396301585.db2.gz ZFUPOBTZXWTETL-PMACEKPBSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001495918524 1396572252 /nfs/dbraw/zinc/57/22/52/1396572252.db2.gz MMCPZRUMJMOECC-SFHVURJKSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001496325659 1396650552 /nfs/dbraw/zinc/65/05/52/1396650552.db2.gz JFZFZCZFNWQXOW-SFHVURJKSA-N 1 3 339.568 3.418 10 0 EGAEHO CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001689271087 1397004892 /nfs/dbraw/zinc/00/48/92/1397004892.db2.gz BWROZOIPVFROST-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001499243659 1397065906 /nfs/dbraw/zinc/06/59/06/1397065906.db2.gz LLCOKEZNKMERQE-PKOBYXMFSA-N 1 3 343.515 3.169 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001690131612 1404326350 /nfs/dbraw/zinc/32/63/50/1404326350.db2.gz VKDRAVJGNOZTKP-DVBCCOPCSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001690317901 1404475154 /nfs/dbraw/zinc/47/51/54/1404475154.db2.gz MIJLJIVUDFPHMD-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC001690317901 1404475159 /nfs/dbraw/zinc/47/51/59/1404475159.db2.gz MIJLJIVUDFPHMD-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001690757574 1404712155 /nfs/dbraw/zinc/71/21/55/1404712155.db2.gz LTGBBKRUWIOFHK-LJQANCHMSA-N 1 3 345.531 3.236 10 0 EGAEHO CCC[NH2+]CCc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001690795434 1404738040 /nfs/dbraw/zinc/73/80/40/1404738040.db2.gz SVDVZLLHNWFCSR-UHFFFAOYSA-N 1 3 345.531 3.109 10 0 EGAEHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001690842915 1404772292 /nfs/dbraw/zinc/77/22/92/1404772292.db2.gz HKCVVVNKFDGAOU-KRWDZBQOSA-N 1 3 335.536 3.236 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001691061479 1404985213 /nfs/dbraw/zinc/98/52/13/1404985213.db2.gz GTCLSCVOMMMNMA-LXORQPIJSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001691061479 1404985217 /nfs/dbraw/zinc/98/52/17/1404985217.db2.gz GTCLSCVOMMMNMA-LXORQPIJSA-N 1 3 335.536 3.138 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691142986 1405076928 /nfs/dbraw/zinc/07/69/28/1405076928.db2.gz HVUOJLDAKPGBGF-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691142986 1405076929 /nfs/dbraw/zinc/07/69/29/1405076929.db2.gz HVUOJLDAKPGBGF-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001691401325 1405237824 /nfs/dbraw/zinc/23/78/24/1405237824.db2.gz FPWLWUVNPFTRTH-YLJYHZDGSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001691733395 1405456153 /nfs/dbraw/zinc/45/61/53/1405456153.db2.gz PNRLNUFAVYRXCH-HKUYNNGSSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368110 1405977373 /nfs/dbraw/zinc/97/73/73/1405977373.db2.gz ICCQMUKRKYOLSX-FVCDOPQVSA-N 1 3 347.547 3.329 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368110 1405977375 /nfs/dbraw/zinc/97/73/75/1405977375.db2.gz ICCQMUKRKYOLSX-FVCDOPQVSA-N 1 3 347.547 3.329 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570411 1406174863 /nfs/dbraw/zinc/17/48/63/1406174863.db2.gz UKCRBMISUQDIGD-MSOLQXFVSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570411 1406174866 /nfs/dbraw/zinc/17/48/66/1406174866.db2.gz UKCRBMISUQDIGD-MSOLQXFVSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698602312 1406228600 /nfs/dbraw/zinc/22/86/00/1406228600.db2.gz XIJHHHQJRMSMDM-INIZCTEOSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)=CCN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732022468 1428239908 /nfs/dbraw/zinc/23/99/08/1428239908.db2.gz KGHZGUIAYODHSE-IBGZPJMESA-N 1 3 341.499 3.028 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001732060944 1428310265 /nfs/dbraw/zinc/31/02/65/1428310265.db2.gz JGRWZAVESFKLAY-ZYHOBAKYSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001732060944 1428310268 /nfs/dbraw/zinc/31/02/68/1428310268.db2.gz JGRWZAVESFKLAY-ZYHOBAKYSA-N 1 3 335.536 3.045 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001732316211 1428527257 /nfs/dbraw/zinc/52/72/57/1428527257.db2.gz JZVUYRGFLNSOJJ-QQMAYYJASA-N 1 3 349.906 3.019 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001732316211 1428527260 /nfs/dbraw/zinc/52/72/60/1428527260.db2.gz JZVUYRGFLNSOJJ-QQMAYYJASA-N 1 3 349.906 3.019 10 0 EGAEHO CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001732397464 1428564539 /nfs/dbraw/zinc/56/45/39/1428564539.db2.gz WVSORBXELJYSSS-GOSISDBHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732392627 1428561562 /nfs/dbraw/zinc/56/15/62/1428561562.db2.gz NHSNAPDHXLVDNX-IBGZPJMESA-N 1 3 349.563 3.458 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001732400585 1428566519 /nfs/dbraw/zinc/56/65/19/1428566519.db2.gz UPNHFFBQKQUAFF-UHFFFAOYSA-N 1 3 345.531 3.162 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001732494523 1428615969 /nfs/dbraw/zinc/61/59/69/1428615969.db2.gz JSPHHZQTVVBAOY-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN(CC[NH2+]Cc1ccccc1C(C)C)C(=O)CN1CC[C@@H](C)C1 ZINC001699204781 1412572817 /nfs/dbraw/zinc/57/28/17/1412572817.db2.gz WFRZRXIFZWNANY-GOSISDBHSA-N 1 3 345.531 3.090 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001699804160 1413216545 /nfs/dbraw/zinc/21/65/45/1413216545.db2.gz QFIJBENLXULEGG-MSOLQXFVSA-N 1 3 349.544 3.045 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001699804160 1413216548 /nfs/dbraw/zinc/21/65/48/1413216548.db2.gz QFIJBENLXULEGG-MSOLQXFVSA-N 1 3 349.544 3.045 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699875079 1413329911 /nfs/dbraw/zinc/32/99/11/1413329911.db2.gz QTIPNTDIFNTCQY-OVKVCFKUSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699875079 1413329915 /nfs/dbraw/zinc/32/99/15/1413329915.db2.gz QTIPNTDIFNTCQY-OVKVCFKUSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700086298 1413497230 /nfs/dbraw/zinc/49/72/30/1413497230.db2.gz CDBMAKMNSJUDGS-LJQANCHMSA-N 1 3 337.552 3.127 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001700228811 1413685305 /nfs/dbraw/zinc/68/53/05/1413685305.db2.gz GMRJUMXKQXCTOG-AZUAARDMSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001700228811 1413685307 /nfs/dbraw/zinc/68/53/07/1413685307.db2.gz GMRJUMXKQXCTOG-AZUAARDMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001700463766 1414067266 /nfs/dbraw/zinc/06/72/66/1414067266.db2.gz MJVLEVAXTTXDSZ-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001700463766 1414067271 /nfs/dbraw/zinc/06/72/71/1414067271.db2.gz MJVLEVAXTTXDSZ-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001700522112 1414178267 /nfs/dbraw/zinc/17/82/67/1414178267.db2.gz VQILRSUSTHISOM-UHFFFAOYSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700540265 1414207304 /nfs/dbraw/zinc/20/73/04/1414207304.db2.gz ZRGAPHWCBRQCIR-LKGOPFMKSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001700545545 1414214130 /nfs/dbraw/zinc/21/41/30/1414214130.db2.gz JGCIKNTUSCQTAN-KDCRJJDASA-N 1 3 349.563 3.432 10 0 EGAEHO CC(C)N(CC[N@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH]cn1 ZINC001700973924 1414603729 /nfs/dbraw/zinc/60/37/29/1414603729.db2.gz UPGJFXABCYTYJT-UHFFFAOYSA-N 1 3 348.535 3.482 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH]cn1 ZINC001700973924 1414603731 /nfs/dbraw/zinc/60/37/31/1414603731.db2.gz UPGJFXABCYTYJT-UHFFFAOYSA-N 1 3 348.535 3.482 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001732895894 1429033396 /nfs/dbraw/zinc/03/33/96/1429033396.db2.gz WGXMRTJCDOKZQE-BWPKMQGJSA-N 1 3 349.906 3.005 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941873 1429066168 /nfs/dbraw/zinc/06/61/68/1429066168.db2.gz HCBZELMPCAJKLG-LIXSYLKWSA-N 1 3 349.563 3.339 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001733035866 1429160481 /nfs/dbraw/zinc/16/04/81/1429160481.db2.gz OUILUADHECNVPM-UXRNRCMTSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001733035866 1429160485 /nfs/dbraw/zinc/16/04/85/1429160485.db2.gz OUILUADHECNVPM-UXRNRCMTSA-N 1 3 343.515 3.011 10 0 EGAEHO CC/C=C/CCN1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060271 1417175735 /nfs/dbraw/zinc/17/57/35/1417175735.db2.gz XPSWLOQVTHYQTR-YJJPMGAVSA-N 1 3 343.515 3.251 10 0 EGAEHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001707162204 1417225851 /nfs/dbraw/zinc/22/58/51/1417225851.db2.gz DRFGIYAYSXSJTJ-APWZRJJASA-N 1 3 344.503 3.059 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCC(C)CC1 ZINC001707163770 1417226038 /nfs/dbraw/zinc/22/60/38/1417226038.db2.gz OQFUHNGSTCBPQL-KPDZFXRVSA-N 1 3 349.563 3.291 10 0 EGAEHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001707378439 1417301791 /nfs/dbraw/zinc/30/17/91/1417301791.db2.gz MGTJQCVKZBVFJZ-CEXWTWQISA-N 1 3 349.563 3.125 10 0 EGAEHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001707378439 1417301794 /nfs/dbraw/zinc/30/17/94/1417301794.db2.gz MGTJQCVKZBVFJZ-CEXWTWQISA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045818 1429178727 /nfs/dbraw/zinc/17/87/27/1429178727.db2.gz SEAJTBSDGBHURB-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045818 1429178730 /nfs/dbraw/zinc/17/87/30/1429178730.db2.gz SEAJTBSDGBHURB-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO CC[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001712951654 1417510524 /nfs/dbraw/zinc/51/05/24/1417510524.db2.gz VXSGPOPWTMMHOM-GOSISDBHSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[C@H](c1ccccc1)[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001712951654 1417510527 /nfs/dbraw/zinc/51/05/27/1417510527.db2.gz VXSGPOPWTMMHOM-GOSISDBHSA-N 1 3 331.504 3.060 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@H+](C)CC2=CCCCC2)c1 ZINC001712990496 1417542280 /nfs/dbraw/zinc/54/22/80/1417542280.db2.gz ASVWLJFEWXQJGH-UHFFFAOYSA-N 1 3 343.515 3.300 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@@H+](C)CC2=CCCCC2)c1 ZINC001712990496 1417542289 /nfs/dbraw/zinc/54/22/89/1417542289.db2.gz ASVWLJFEWXQJGH-UHFFFAOYSA-N 1 3 343.515 3.300 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054114 1429195304 /nfs/dbraw/zinc/19/53/04/1429195304.db2.gz NCMGASWHKPEZJZ-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001733054114 1429195305 /nfs/dbraw/zinc/19/53/05/1429195305.db2.gz NCMGASWHKPEZJZ-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713278446 1417901898 /nfs/dbraw/zinc/90/18/98/1417901898.db2.gz DXVHXCBVBLODOZ-MJGOQNOKSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713278446 1417901902 /nfs/dbraw/zinc/90/19/02/1417901902.db2.gz DXVHXCBVBLODOZ-MJGOQNOKSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCCN1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515596 1418250602 /nfs/dbraw/zinc/25/06/02/1418250602.db2.gz XTCKJVUBBONVLT-WOJBJXKFSA-N 1 3 345.531 3.196 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001713684027 1418437240 /nfs/dbraw/zinc/43/72/40/1418437240.db2.gz GSTJXNCJXAEXBZ-PVTFFILZSA-N 1 3 349.563 3.434 10 0 EGAEHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001713751414 1418552934 /nfs/dbraw/zinc/55/29/34/1418552934.db2.gz USQYSRIZNDGENF-IBGZPJMESA-N 1 3 347.547 3.142 10 0 EGAEHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001713751414 1418552938 /nfs/dbraw/zinc/55/29/38/1418552938.db2.gz USQYSRIZNDGENF-IBGZPJMESA-N 1 3 347.547 3.142 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155916 1418965862 /nfs/dbraw/zinc/96/58/62/1418965862.db2.gz LBUSRVGGHKWAPS-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155916 1418965864 /nfs/dbraw/zinc/96/58/64/1418965864.db2.gz LBUSRVGGHKWAPS-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001714166139 1418975341 /nfs/dbraw/zinc/97/53/41/1418975341.db2.gz FDCUGBVFJCFYHK-WUMCHEGQSA-N 1 3 347.547 3.044 10 0 EGAEHO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001714166139 1418975348 /nfs/dbraw/zinc/97/53/48/1418975348.db2.gz FDCUGBVFJCFYHK-WUMCHEGQSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC001714316770 1419095210 /nfs/dbraw/zinc/09/52/10/1419095210.db2.gz BQKQQEVPDBPTAF-JXQKNWOYSA-N 1 3 343.515 3.057 10 0 EGAEHO CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001714366304 1419126509 /nfs/dbraw/zinc/12/65/09/1419126509.db2.gz NQQAHBOQLZUEOO-IBGZPJMESA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001714366304 1419126511 /nfs/dbraw/zinc/12/65/11/1419126511.db2.gz NQQAHBOQLZUEOO-IBGZPJMESA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccsc1 ZINC001714656027 1419437777 /nfs/dbraw/zinc/43/77/77/1419437777.db2.gz UQHITMNEZJALIC-ROUUACIJSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1ccsc1 ZINC001714656027 1419437779 /nfs/dbraw/zinc/43/77/79/1419437779.db2.gz UQHITMNEZJALIC-ROUUACIJSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccsc1 ZINC001714656026 1419437801 /nfs/dbraw/zinc/43/78/01/1419437801.db2.gz UQHITMNEZJALIC-QZTJIDSGSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccsc1 ZINC001714656026 1419437802 /nfs/dbraw/zinc/43/78/02/1419437802.db2.gz UQHITMNEZJALIC-QZTJIDSGSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001714797754 1419513762 /nfs/dbraw/zinc/51/37/62/1419513762.db2.gz OIWHBENHVJRBCK-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCCN2CC)cc1 ZINC001714881992 1419619164 /nfs/dbraw/zinc/61/91/64/1419619164.db2.gz PSCGBPYLXCJUIX-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001714887199 1419627915 /nfs/dbraw/zinc/62/79/15/1419627915.db2.gz VSOMNCUIXQKXKP-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001714887199 1419627918 /nfs/dbraw/zinc/62/79/18/1419627918.db2.gz VSOMNCUIXQKXKP-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CCC[NH2+]C[C@@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@@H]1C ZINC001715150977 1419895469 /nfs/dbraw/zinc/89/54/69/1419895469.db2.gz YUUJLGUZUHJCPX-LPHOPBHVSA-N 1 3 325.541 3.029 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001715189690 1419921789 /nfs/dbraw/zinc/92/17/89/1419921789.db2.gz NFXARSOSNHDVNS-GUDVDZBRSA-N 1 3 337.552 3.312 10 0 EGAEHO CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001715447970 1420131759 /nfs/dbraw/zinc/13/17/59/1420131759.db2.gz TZXWMFFENRGUAI-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)c1cccc(F)c1 ZINC001715828643 1420358798 /nfs/dbraw/zinc/35/87/98/1420358798.db2.gz XSGWHQVRKFBCTC-QFWHCPKTSA-N 1 3 347.478 3.023 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)c1cccc(F)c1 ZINC001715828643 1420358800 /nfs/dbraw/zinc/35/88/00/1420358800.db2.gz XSGWHQVRKFBCTC-QFWHCPKTSA-N 1 3 347.478 3.023 10 0 EGAEHO Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001715927455 1420401987 /nfs/dbraw/zinc/40/19/87/1420401987.db2.gz GUMOYQDVNTVWKB-QUCCMNQESA-N 1 3 345.531 3.079 10 0 EGAEHO C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC001716507706 1420739598 /nfs/dbraw/zinc/73/95/98/1420739598.db2.gz GGBZQJADEYTQTD-MRXNPFEDSA-N 1 3 333.520 3.235 10 0 EGAEHO C[C@H](C[N@@H+](C)CCC(C)(C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC001716507706 1420739600 /nfs/dbraw/zinc/73/96/00/1420739600.db2.gz GGBZQJADEYTQTD-MRXNPFEDSA-N 1 3 333.520 3.235 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)[C@@H](CC)C1 ZINC001716639721 1420796743 /nfs/dbraw/zinc/79/67/43/1420796743.db2.gz RWRKDMXNCXVBAM-RBUKOAKNSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCN1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665219 1420819963 /nfs/dbraw/zinc/81/99/63/1420819963.db2.gz IRFVSWUWRYZBBG-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665219 1420819967 /nfs/dbraw/zinc/81/99/67/1420819967.db2.gz IRFVSWUWRYZBBG-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665219 1420819970 /nfs/dbraw/zinc/81/99/70/1420819970.db2.gz IRFVSWUWRYZBBG-QUCCMNQESA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)CC(C)(C)C ZINC001716784805 1420921271 /nfs/dbraw/zinc/92/12/71/1420921271.db2.gz JEBXLJQSVDGFJM-SFHVURJKSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001716999979 1421070453 /nfs/dbraw/zinc/07/04/53/1421070453.db2.gz YMNBTBVMPLYSPE-GGPHIMKMSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001716999979 1421070454 /nfs/dbraw/zinc/07/04/54/1421070454.db2.gz YMNBTBVMPLYSPE-GGPHIMKMSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001717293709 1421239216 /nfs/dbraw/zinc/23/92/16/1421239216.db2.gz RFJLILOCQDLCSD-XLIONFOSSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001717337996 1421275281 /nfs/dbraw/zinc/27/52/81/1421275281.db2.gz ONAZQTWJPJSQLP-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001717337996 1421275283 /nfs/dbraw/zinc/27/52/83/1421275283.db2.gz ONAZQTWJPJSQLP-IAGOWNOFSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCC(C)(C)C ZINC001717471381 1421404295 /nfs/dbraw/zinc/40/42/95/1421404295.db2.gz ASQVEQLUWPTZOJ-INIZCTEOSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCC(C)(C)C ZINC001717471381 1421404297 /nfs/dbraw/zinc/40/42/97/1421404297.db2.gz ASQVEQLUWPTZOJ-INIZCTEOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC001717490029 1421428471 /nfs/dbraw/zinc/42/84/71/1421428471.db2.gz DNAAXRUVZVJMOV-AEFFLSMTSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001717490029 1421428472 /nfs/dbraw/zinc/42/84/72/1421428472.db2.gz DNAAXRUVZVJMOV-AEFFLSMTSA-N 1 3 337.552 3.122 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001717652939 1421552219 /nfs/dbraw/zinc/55/22/19/1421552219.db2.gz WXFBFBLVPJNQMN-VAMGGRTRSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001717847283 1421661281 /nfs/dbraw/zinc/66/12/81/1421661281.db2.gz JYHCGALQWCHEOT-CEXWTWQISA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895003 1421692676 /nfs/dbraw/zinc/69/26/76/1421692676.db2.gz BTGRXWINKGSUDF-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001717952953 1421724417 /nfs/dbraw/zinc/72/44/17/1421724417.db2.gz SVKNPUIRNPHDSE-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)CCN(C(=O)CN1CCCC1)C(C)C ZINC001717952953 1421724419 /nfs/dbraw/zinc/72/44/19/1421724419.db2.gz SVKNPUIRNPHDSE-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733392358 1429582690 /nfs/dbraw/zinc/58/26/90/1429582690.db2.gz CMLLDPJDOQEGBS-HVXOQWJHSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001733392358 1429582692 /nfs/dbraw/zinc/58/26/92/1429582692.db2.gz CMLLDPJDOQEGBS-HVXOQWJHSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CC1)N1CCCCC1 ZINC001722939602 1424266708 /nfs/dbraw/zinc/26/67/08/1424266708.db2.gz NCXXUQXEIYKOKH-OALUTQOASA-N 1 3 349.563 3.316 10 0 EGAEHO CCC(CC)CN1CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001723439943 1424405875 /nfs/dbraw/zinc/40/58/75/1424405875.db2.gz RRFDHQUXRYPVSC-SFHVURJKSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC(CC)CN1CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001723439943 1424405878 /nfs/dbraw/zinc/40/58/78/1424405878.db2.gz RRFDHQUXRYPVSC-SFHVURJKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609018 1424490810 /nfs/dbraw/zinc/49/08/10/1424490810.db2.gz NMIDRAMCJWRBHD-HCZHMGAMSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609018 1424490812 /nfs/dbraw/zinc/49/08/12/1424490812.db2.gz NMIDRAMCJWRBHD-HCZHMGAMSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001723649883 1424515832 /nfs/dbraw/zinc/51/58/32/1424515832.db2.gz ZHCZTNBLUUWIQD-SFHVURJKSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001723649883 1424515834 /nfs/dbraw/zinc/51/58/34/1424515834.db2.gz ZHCZTNBLUUWIQD-SFHVURJKSA-N 1 3 349.563 3.077 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001733537734 1429744073 /nfs/dbraw/zinc/74/40/73/1429744073.db2.gz WQJGNIJJUJNQAF-HEVSSNLLSA-N 1 3 349.563 3.291 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CCCC2)c1 ZINC001724111052 1424669950 /nfs/dbraw/zinc/66/99/50/1424669950.db2.gz YOUDJXGEWVBLQJ-HXUWFJFHSA-N 1 3 345.531 3.100 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724323341 1424809432 /nfs/dbraw/zinc/80/94/32/1424809432.db2.gz KKTJPEUPWKWMSS-FQEVSTJZSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724323341 1424809435 /nfs/dbraw/zinc/80/94/35/1424809435.db2.gz KKTJPEUPWKWMSS-FQEVSTJZSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001725030833 1425450541 /nfs/dbraw/zinc/45/05/41/1425450541.db2.gz ZVVTZHXNVKXWSN-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001725055603 1425491971 /nfs/dbraw/zinc/49/19/71/1425491971.db2.gz MYQJBWPJFZNVOT-SFHVURJKSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001725055603 1425491972 /nfs/dbraw/zinc/49/19/72/1425491972.db2.gz MYQJBWPJFZNVOT-SFHVURJKSA-N 1 3 346.519 3.093 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130527 1425599155 /nfs/dbraw/zinc/59/91/55/1425599155.db2.gz ROVFRUUOHGMMBB-CVEARBPZSA-N 1 3 325.541 3.026 10 0 EGAEHO CCCCC[N@@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001725344904 1425996298 /nfs/dbraw/zinc/99/62/98/1425996298.db2.gz ILAFQFGTLIKOKY-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001725344904 1425996299 /nfs/dbraw/zinc/99/62/99/1425996299.db2.gz ILAFQFGTLIKOKY-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001725737679 1426412659 /nfs/dbraw/zinc/41/26/59/1426412659.db2.gz DWMJVRAIVDXRGA-ZWKOTPCHSA-N 1 3 339.568 3.416 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001725823243 1426498278 /nfs/dbraw/zinc/49/82/78/1426498278.db2.gz GIJBEQVSKDKNDD-UHFFFAOYSA-N 1 3 349.563 3.293 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1)CC(C)(C)C ZINC001725823243 1426498281 /nfs/dbraw/zinc/49/82/81/1426498281.db2.gz GIJBEQVSKDKNDD-UHFFFAOYSA-N 1 3 349.563 3.293 10 0 EGAEHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1 ZINC001731466418 1427444590 /nfs/dbraw/zinc/44/45/90/1427444590.db2.gz PHBDESLADAAHIO-YQQQUEKLSA-N 1 3 347.547 3.020 10 0 EGAEHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC2(CCC2)C1 ZINC001731466418 1427444591 /nfs/dbraw/zinc/44/45/91/1427444591.db2.gz PHBDESLADAAHIO-YQQQUEKLSA-N 1 3 347.547 3.020 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001731550944 1427570213 /nfs/dbraw/zinc/57/02/13/1427570213.db2.gz YQIWXWDOKXUISP-OBNUAKFSSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001731734969 1427814041 /nfs/dbraw/zinc/81/40/41/1427814041.db2.gz AJQKKLVCMRORDC-ZWKOTPCHSA-N 1 3 345.531 3.136 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001731774502 1427888672 /nfs/dbraw/zinc/88/86/72/1427888672.db2.gz UYFCJJLSERICNK-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001731774502 1427888675 /nfs/dbraw/zinc/88/86/75/1427888675.db2.gz UYFCJJLSERICNK-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CN(CC(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1)CC(C)(C)C ZINC001731953991 1428181240 /nfs/dbraw/zinc/18/12/40/1428181240.db2.gz RBQJVRPKGZWXIF-UHFFFAOYSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734058681 1437850456 /nfs/dbraw/zinc/85/04/56/1437850456.db2.gz LHRXDDZPSKOGHM-QZTJIDSGSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]Cc2ccsc2)CCC1)N1CCCCC1 ZINC001733716243 1429935117 /nfs/dbraw/zinc/93/51/17/1429935117.db2.gz HGKZZRZGYPFJTB-UHFFFAOYSA-N 1 3 349.544 3.141 10 0 EGAEHO CCCCC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001733835662 1430107586 /nfs/dbraw/zinc/10/75/86/1430107586.db2.gz HSNBORKBRGHNNU-KRWDZBQOSA-N 1 3 343.515 3.150 10 0 EGAEHO CCCCC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001733835662 1430107589 /nfs/dbraw/zinc/10/75/89/1430107589.db2.gz HSNBORKBRGHNNU-KRWDZBQOSA-N 1 3 343.515 3.150 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941029 1437757147 /nfs/dbraw/zinc/75/71/47/1437757147.db2.gz NGTWTTRJAMTXSZ-MSOLQXFVSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941029 1437757148 /nfs/dbraw/zinc/75/71/48/1437757148.db2.gz NGTWTTRJAMTXSZ-MSOLQXFVSA-N 1 3 346.519 3.093 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148761 1437916701 /nfs/dbraw/zinc/91/67/01/1437916701.db2.gz VFMPBNMJUONAEZ-ZWKOTPCHSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148761 1437916702 /nfs/dbraw/zinc/91/67/02/1437916702.db2.gz VFMPBNMJUONAEZ-ZWKOTPCHSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+]CC1CCCCCC1 ZINC001734259975 1437975349 /nfs/dbraw/zinc/97/53/49/1437975349.db2.gz JRXDNOHEZFSIKR-HNNXBMFYSA-N 1 3 334.508 3.106 10 0 EGAEHO CC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246525188 141014155 /nfs/dbraw/zinc/01/41/55/141014155.db2.gz UYQXTURJJIBELC-KSSFIOAISA-N 1 3 331.435 3.343 10 0 EGAEHO CC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246525188 141014156 /nfs/dbraw/zinc/01/41/56/141014156.db2.gz UYQXTURJJIBELC-KSSFIOAISA-N 1 3 331.435 3.343 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000246835405 141037734 /nfs/dbraw/zinc/03/77/34/141037734.db2.gz BWLCNCNNZIGZJH-HBUWYVDXSA-N 1 3 330.451 3.138 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000246835405 141037737 /nfs/dbraw/zinc/03/77/37/141037737.db2.gz BWLCNCNNZIGZJH-HBUWYVDXSA-N 1 3 330.451 3.138 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1F ZINC000246835405 141037739 /nfs/dbraw/zinc/03/77/39/141037739.db2.gz BWLCNCNNZIGZJH-HBUWYVDXSA-N 1 3 330.451 3.138 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000246920983 141044508 /nfs/dbraw/zinc/04/45/08/141044508.db2.gz GSWKFFZBYFURQP-GDBMZVCRSA-N 1 3 330.451 3.312 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000310275183 154142016 /nfs/dbraw/zinc/14/20/16/154142016.db2.gz UQBLLUJBOGLQTB-SLFFLAALSA-N 1 3 328.500 3.303 10 0 EGAEHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517681 289879147 /nfs/dbraw/zinc/87/91/47/289879147.db2.gz DFESLMWSHSBTOJ-RTBURBONSA-N 1 3 339.543 3.445 10 0 EGAEHO Cc1cc(C[NH2+]C2CCN(CCN(C)C)CC2)ccc1C(F)(F)F ZINC000414278616 309070291 /nfs/dbraw/zinc/07/02/91/309070291.db2.gz XIKOGNMZLGLEEU-UHFFFAOYSA-N 1 3 343.437 3.129 10 0 EGAEHO CCCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](CC)c1ccccc1 ZINC000414691035 309095638 /nfs/dbraw/zinc/09/56/38/309095638.db2.gz IKGIBVOAAMVPIF-AZUAARDMSA-N 1 3 345.531 3.437 10 0 EGAEHO CCCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](CC)c1ccccc1 ZINC000414691035 309095639 /nfs/dbraw/zinc/09/56/39/309095639.db2.gz IKGIBVOAAMVPIF-AZUAARDMSA-N 1 3 345.531 3.437 10 0 EGAEHO COc1cc(Br)ccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414970120 309112230 /nfs/dbraw/zinc/11/22/30/309112230.db2.gz JZMBGCLTYKFDGH-AWEZNQCLSA-N 1 3 327.266 3.080 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415046528 309116308 /nfs/dbraw/zinc/11/63/08/309116308.db2.gz CRNIZDLLJULGCM-FQEVSTJZSA-N 1 3 335.455 3.146 10 0 EGAEHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000415908576 309147695 /nfs/dbraw/zinc/14/76/95/309147695.db2.gz DHQPEAOZYKZMQL-INIZCTEOSA-N 1 3 340.471 3.048 10 0 EGAEHO CC[C@H](CN1CCC[C@@]2(CCC[N@H+](C[C@H](CC)OC)C2)C1)OC ZINC000419284671 309262947 /nfs/dbraw/zinc/26/29/47/309262947.db2.gz TULKOLPWWPDAQZ-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO CC[C@H](CN1CCC[C@@]2(CCC[N@@H+](C[C@H](CC)OC)C2)C1)OC ZINC000419284671 309262948 /nfs/dbraw/zinc/26/29/48/309262948.db2.gz TULKOLPWWPDAQZ-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO CC[C@H](C[N@H+]1CCC[C@@]2(CCCN(C[C@H](CC)OC)C2)C1)OC ZINC000419284671 309262949 /nfs/dbraw/zinc/26/29/49/309262949.db2.gz TULKOLPWWPDAQZ-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO CC[C@H](C[N@@H+]1CCC[C@@]2(CCCN(C[C@H](CC)OC)C2)C1)OC ZINC000419284671 309262950 /nfs/dbraw/zinc/26/29/50/309262950.db2.gz TULKOLPWWPDAQZ-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO c1ccc(-c2noc(CCCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420386365 309285710 /nfs/dbraw/zinc/28/57/10/309285710.db2.gz FRLUKADNVMFXLO-ZWKOTPCHSA-N 1 3 340.471 3.133 10 0 EGAEHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421345294 309319445 /nfs/dbraw/zinc/31/94/45/309319445.db2.gz RHVKGFHZXMLWNP-FQEVSTJZSA-N 1 3 328.500 3.456 10 0 EGAEHO COc1ccc(CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422699854 309363590 /nfs/dbraw/zinc/36/35/90/309363590.db2.gz BKJRIMJGWJCWFW-ROUUACIJSA-N 1 3 326.440 3.371 10 0 EGAEHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836701 309371069 /nfs/dbraw/zinc/37/10/69/309371069.db2.gz RSYZAJLANUIASG-PWRODBHTSA-N 1 3 338.499 3.332 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871267 309373119 /nfs/dbraw/zinc/37/31/19/309373119.db2.gz YNGOXMBOUKHEIU-DZGCQCFKSA-N 1 3 346.425 3.056 10 0 EGAEHO COc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c(Cl)c1 ZINC000422889197 309374493 /nfs/dbraw/zinc/37/44/93/309374493.db2.gz OYCRYQGPNPUKKW-GFCCVEGCSA-N 1 3 333.863 3.404 10 0 EGAEHO CCCC(O)(CCC)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974384 309379233 /nfs/dbraw/zinc/37/92/33/309379233.db2.gz DWJQSTOJEGSMPV-PXNSSMCTSA-N 1 3 332.488 3.163 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000423009808 309380744 /nfs/dbraw/zinc/38/07/44/309380744.db2.gz DZFMFJSEJRSXIA-NRSPTQNISA-N 1 3 335.451 3.378 10 0 EGAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069311 309384273 /nfs/dbraw/zinc/38/42/73/309384273.db2.gz DQQULAQYQQQHRU-HYVNUMGLSA-N 1 3 340.458 3.016 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423291961 309394056 /nfs/dbraw/zinc/39/40/56/309394056.db2.gz KTRAWEQPJOJROJ-IAGOWNOFSA-N 1 3 339.483 3.394 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423415919 309399333 /nfs/dbraw/zinc/39/93/33/309399333.db2.gz FGOXXJZCKXHESK-YSZBQJHXSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1NCCc2ccccc21 ZINC000423415919 309399334 /nfs/dbraw/zinc/39/93/34/309399334.db2.gz FGOXXJZCKXHESK-YSZBQJHXSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1NCCc2ccccc21 ZINC000423415919 309399335 /nfs/dbraw/zinc/39/93/35/309399335.db2.gz FGOXXJZCKXHESK-YSZBQJHXSA-N 1 3 349.522 3.374 10 0 EGAEHO CS[C@@H]1CC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000425349724 309474968 /nfs/dbraw/zinc/47/49/68/309474968.db2.gz LCZWJNXWPDOGTE-RBUKOAKNSA-N 1 3 333.545 3.072 10 0 EGAEHO CS[C@H]1CC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000425355849 309475727 /nfs/dbraw/zinc/47/57/27/309475727.db2.gz LRXQWKKFTGAAGX-UXHICEINSA-N 1 3 347.572 3.381 10 0 EGAEHO CCN1CCC([NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449064966 310034055 /nfs/dbraw/zinc/03/40/55/310034055.db2.gz RHAXFFLUESLINL-GOSISDBHSA-N 1 3 329.532 3.156 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC[C@@H](C)C2)CC1 ZINC000449084874 310035921 /nfs/dbraw/zinc/03/59/21/310035921.db2.gz ZKDAETUJLGYCSG-UXHICEINSA-N 1 3 343.559 3.404 10 0 EGAEHO CCN(CC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449114377 310038193 /nfs/dbraw/zinc/03/81/93/310038193.db2.gz ZJYQTAHSDCCVRS-GOSISDBHSA-N 1 3 329.532 3.156 10 0 EGAEHO CCN(CC)C[C@H](C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449132315 310039280 /nfs/dbraw/zinc/03/92/80/310039280.db2.gz UDCHEQRPIOLXRT-OALUTQOASA-N 1 3 331.548 3.402 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000449187616 310043152 /nfs/dbraw/zinc/04/31/52/310043152.db2.gz KZZYUYNELNQHSX-JXFKEZNVSA-N 1 3 338.499 3.472 10 0 EGAEHO Cc1nccnc1CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449343184 310054924 /nfs/dbraw/zinc/05/49/24/310054924.db2.gz ILJAQALOEJEALK-KRWDZBQOSA-N 1 3 338.499 3.013 10 0 EGAEHO COC[C@@](C)(O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449383369 310057800 /nfs/dbraw/zinc/05/78/00/310057800.db2.gz GUBRVGICJDVWBM-IBGZPJMESA-N 1 3 328.541 3.043 10 0 EGAEHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000449853652 310090755 /nfs/dbraw/zinc/09/07/55/310090755.db2.gz WGAUWUQZIHNCGC-UXHICEINSA-N 1 3 347.547 3.260 10 0 EGAEHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000459660449 310567002 /nfs/dbraw/zinc/56/70/02/310567002.db2.gz OIYREZRTZBHBOW-UZLBHIALSA-N 1 3 326.488 3.467 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnnn1Cc1ccccc1 ZINC000490607031 311146525 /nfs/dbraw/zinc/14/65/25/311146525.db2.gz YPZBOCBBPHBMGV-SFHVURJKSA-N 1 3 341.503 3.071 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnnn1Cc1ccccc1 ZINC000490607031 311146526 /nfs/dbraw/zinc/14/65/26/311146526.db2.gz YPZBOCBBPHBMGV-SFHVURJKSA-N 1 3 341.503 3.071 10 0 EGAEHO NC[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165456 312268879 /nfs/dbraw/zinc/26/88/79/312268879.db2.gz HVSSCDAFPWUKRX-AQNXPRMDSA-N 1 3 339.483 3.254 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000516449678 312323900 /nfs/dbraw/zinc/32/39/00/312323900.db2.gz HPVONWVZQJACNY-QMIHWGKISA-N 1 3 325.456 3.420 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC(F)(F)C1 ZINC000529537020 313348573 /nfs/dbraw/zinc/34/85/73/313348573.db2.gz RXFYTLSFHVBBHN-CQSZACIVSA-N 1 3 338.442 3.167 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]2OC)CC1 ZINC000538125532 314228261 /nfs/dbraw/zinc/22/82/61/314228261.db2.gz XFEUEOLKNLMYHT-CTNGQTDRSA-N 1 3 345.531 3.123 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]2OC)CC1 ZINC000538125543 314228277 /nfs/dbraw/zinc/22/82/77/314228277.db2.gz XFEUEOLKNLMYHT-PZJWPPBQSA-N 1 3 345.531 3.123 10 0 EGAEHO Cc1cc([C@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)ccc1F ZINC000540260459 314372583 /nfs/dbraw/zinc/37/25/83/314372583.db2.gz IEYLDVPAYNHBCF-HXUWFJFHSA-N 1 3 333.495 3.201 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)CCOC)CC1 ZINC000545351441 314758958 /nfs/dbraw/zinc/75/89/58/314758958.db2.gz FQHFQSSTZREHJF-UHFFFAOYSA-N 1 3 347.547 3.371 10 0 EGAEHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941775 317130995 /nfs/dbraw/zinc/13/09/95/317130995.db2.gz KXLIHGOVCYNEAW-PMACEKPBSA-N 1 3 336.483 3.004 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000379767029 324241484 /nfs/dbraw/zinc/24/14/84/324241484.db2.gz JERMVCMLJNOZKS-SRHPJPHMSA-N 1 3 328.500 3.444 10 0 EGAEHO CN(C)C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC000578910088 325035826 /nfs/dbraw/zinc/03/58/26/325035826.db2.gz OPRYLWSMQJWMHW-GOSISDBHSA-N 1 3 349.494 3.057 10 0 EGAEHO CN(C)CCOCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000578960041 325041568 /nfs/dbraw/zinc/04/15/68/325041568.db2.gz YXRFCAYVDOTZJZ-FQEVSTJZSA-N 1 3 330.447 3.277 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)CC1(C)C ZINC000623502875 460585073 /nfs/dbraw/zinc/58/50/73/460585073.db2.gz BUMWANMHLGCJFG-INIZCTEOSA-N 1 3 335.923 3.161 10 0 EGAEHO C[N@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)CC1(C)C ZINC000623502875 460585078 /nfs/dbraw/zinc/58/50/78/460585078.db2.gz BUMWANMHLGCJFG-INIZCTEOSA-N 1 3 335.923 3.161 10 0 EGAEHO CSc1ccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534564 460600462 /nfs/dbraw/zinc/60/04/62/460600462.db2.gz UOIVRILXCZVGAL-FUHWJXTLSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N(C)C)cc1 ZINC000623534564 460600466 /nfs/dbraw/zinc/60/04/66/460600466.db2.gz UOIVRILXCZVGAL-FUHWJXTLSA-N 1 3 335.561 3.474 10 0 EGAEHO CSc1ccc([C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N(C)C)cc1 ZINC000623534564 460600470 /nfs/dbraw/zinc/60/04/70/460600470.db2.gz UOIVRILXCZVGAL-FUHWJXTLSA-N 1 3 335.561 3.474 10 0 EGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000181737351 455377122 /nfs/dbraw/zinc/37/71/22/455377122.db2.gz RKUOZDAWFZLRFK-AXYPVASZSA-N 1 3 339.886 3.297 10 0 EGAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000181737351 455377127 /nfs/dbraw/zinc/37/71/27/455377127.db2.gz RKUOZDAWFZLRFK-AXYPVASZSA-N 1 3 339.886 3.297 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1(C)C ZINC000623575131 460621966 /nfs/dbraw/zinc/62/19/66/460621966.db2.gz LWLQTEQFFRWHFM-VQTJNVASSA-N 1 3 346.515 3.345 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C[C@H](C)O)CC1 ZINC000088734750 454117497 /nfs/dbraw/zinc/11/74/97/454117497.db2.gz DHRZNGIMLUDYPF-SFHVURJKSA-N 1 3 347.547 3.105 10 0 EGAEHO C[C@H]1C[C@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000123584762 454654801 /nfs/dbraw/zinc/65/48/01/454654801.db2.gz JVIPZSHWQYRNLS-DOTOQJQBSA-N 1 3 328.460 3.084 10 0 EGAEHO C[C@H]1C[C@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123584762 454654805 /nfs/dbraw/zinc/65/48/05/454654805.db2.gz JVIPZSHWQYRNLS-DOTOQJQBSA-N 1 3 328.460 3.084 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000163238070 454833250 /nfs/dbraw/zinc/83/32/50/454833250.db2.gz MRCITWQARGGBEU-QWHCGFSZSA-N 1 3 328.403 3.289 10 0 EGAEHO Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n[nH]1 ZINC000180159065 455142429 /nfs/dbraw/zinc/14/24/29/455142429.db2.gz BNWVZZDBFDLJCE-GFQSRZNMSA-N 1 3 338.499 3.434 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000245718828 455364104 /nfs/dbraw/zinc/36/41/04/455364104.db2.gz OLNOIBMFDIAPQZ-KANFNMMFSA-N 1 3 343.515 3.075 10 0 EGAEHO C[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000182569823 455543624 /nfs/dbraw/zinc/54/36/24/455543624.db2.gz DPVUUWWHRFYCKC-YBVXAUJNSA-N 1 3 327.516 3.033 10 0 EGAEHO C[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000182569823 455543627 /nfs/dbraw/zinc/54/36/27/455543627.db2.gz DPVUUWWHRFYCKC-YBVXAUJNSA-N 1 3 327.516 3.033 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252653007 455825448 /nfs/dbraw/zinc/82/54/48/455825448.db2.gz RIQKZJNYXQTDLC-OALUTQOASA-N 1 3 343.515 3.438 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252653007 455825452 /nfs/dbraw/zinc/82/54/52/455825452.db2.gz RIQKZJNYXQTDLC-OALUTQOASA-N 1 3 343.515 3.438 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252653007 455825457 /nfs/dbraw/zinc/82/54/57/455825457.db2.gz RIQKZJNYXQTDLC-OALUTQOASA-N 1 3 343.515 3.438 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252653007 455825461 /nfs/dbraw/zinc/82/54/61/455825461.db2.gz RIQKZJNYXQTDLC-OALUTQOASA-N 1 3 343.515 3.438 10 0 EGAEHO CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000617008854 460706006 /nfs/dbraw/zinc/70/60/06/460706006.db2.gz NKRMKVLPISKQKA-LJQANCHMSA-N 1 3 343.515 3.275 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262629442 456048967 /nfs/dbraw/zinc/04/89/67/456048967.db2.gz DJOOPKSEUJHNQS-AITUJVMLSA-N 1 3 343.515 3.153 10 0 EGAEHO CN1CCC(C[NH2+]Cc2ccc3occc3c2)(N2CCCCC2)CC1 ZINC000352762343 456284215 /nfs/dbraw/zinc/28/42/15/456284215.db2.gz FLSLOQSWRBWNGW-UHFFFAOYSA-N 1 3 341.499 3.473 10 0 EGAEHO CC1=C[C@@H](C)C[C@H](C[NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000352823510 456339601 /nfs/dbraw/zinc/33/96/01/456339601.db2.gz NPSWDTIJGVPFDC-QUCCMNQESA-N 1 3 342.531 3.176 10 0 EGAEHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)cc2)CC1 ZINC000337412093 456352199 /nfs/dbraw/zinc/35/21/99/456352199.db2.gz XIPLUNWIEQSWDX-NJYVYQBISA-N 1 3 327.516 3.102 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000340474447 456481459 /nfs/dbraw/zinc/48/14/59/456481459.db2.gz RVWXSJOQTHLLSQ-FXAWDEMLSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000340474447 456481460 /nfs/dbraw/zinc/48/14/60/456481460.db2.gz RVWXSJOQTHLLSQ-FXAWDEMLSA-N 1 3 341.503 3.221 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1c(F)cccc1F ZINC000353511352 456724695 /nfs/dbraw/zinc/72/46/95/456724695.db2.gz AZGUDTQFQZXPMC-HNONPPJISA-N 1 3 337.458 3.030 10 0 EGAEHO Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000397651157 457489712 /nfs/dbraw/zinc/48/97/12/457489712.db2.gz WVKVFABQXDEYQS-UHFFFAOYSA-N 1 3 338.495 3.420 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000375794883 458069411 /nfs/dbraw/zinc/06/94/11/458069411.db2.gz WELHMYDXUBYXJX-FHWLQOOXSA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000375794883 458069416 /nfs/dbraw/zinc/06/94/16/458069416.db2.gz WELHMYDXUBYXJX-FHWLQOOXSA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000375794883 458069420 /nfs/dbraw/zinc/06/94/20/458069420.db2.gz WELHMYDXUBYXJX-FHWLQOOXSA-N 1 3 328.504 3.034 10 0 EGAEHO CC(C)N(Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1CCC(=O)N1 ZINC000412078418 458082898 /nfs/dbraw/zinc/08/28/98/458082898.db2.gz MJHQSDMTCYTSBN-HXUWFJFHSA-N 1 3 343.515 3.162 10 0 EGAEHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000429008334 458254570 /nfs/dbraw/zinc/25/45/70/458254570.db2.gz NGSBSUMTHWZNEV-JOCHJYFZSA-N 1 3 349.478 3.467 10 0 EGAEHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000429008334 458254574 /nfs/dbraw/zinc/25/45/74/458254574.db2.gz NGSBSUMTHWZNEV-JOCHJYFZSA-N 1 3 349.478 3.467 10 0 EGAEHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000459660447 458439541 /nfs/dbraw/zinc/43/95/41/458439541.db2.gz OIYREZRTZBHBOW-OXJNMPFZSA-N 1 3 326.488 3.467 10 0 EGAEHO C[N@@H+]1CCC[C@H](CCNCc2ccccc2OCC(F)(F)F)C1 ZINC000459740295 458464428 /nfs/dbraw/zinc/46/44/28/458464428.db2.gz UBYBNHCNXYYZDF-CQSZACIVSA-N 1 3 330.394 3.449 10 0 EGAEHO C[N@H+]1CCC[C@H](CCNCc2ccccc2OCC(F)(F)F)C1 ZINC000459740295 458464431 /nfs/dbraw/zinc/46/44/31/458464431.db2.gz UBYBNHCNXYYZDF-CQSZACIVSA-N 1 3 330.394 3.449 10 0 EGAEHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000424372793 458628246 /nfs/dbraw/zinc/62/82/46/458628246.db2.gz IKCCZTWAKCGCLQ-HZSPNIEDSA-N 1 3 327.241 3.435 10 0 EGAEHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000424427986 458640923 /nfs/dbraw/zinc/64/09/23/458640923.db2.gz RAVUDYFNDANJCC-MOPGFXCFSA-N 1 3 338.455 3.021 10 0 EGAEHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000424427987 458641287 /nfs/dbraw/zinc/64/12/87/458641287.db2.gz RAVUDYFNDANJCC-OALUTQOASA-N 1 3 338.455 3.021 10 0 EGAEHO CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000556890674 459028810 /nfs/dbraw/zinc/02/88/10/459028810.db2.gz VCZZXIGKBOMGEK-GXRSIYKFSA-N 1 3 341.543 3.359 10 0 EGAEHO CCC[C@H](C)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412408 459155264 /nfs/dbraw/zinc/15/52/64/459155264.db2.gz YZMJIIREXJMILO-PZJWPPBQSA-N 1 3 329.532 3.315 10 0 EGAEHO CCC[C@H](C)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000558412408 459155269 /nfs/dbraw/zinc/15/52/69/459155269.db2.gz YZMJIIREXJMILO-PZJWPPBQSA-N 1 3 329.532 3.315 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000578303780 459177585 /nfs/dbraw/zinc/17/75/85/459177585.db2.gz MOOJNTWZSFFLFI-LALPHHSUSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000578303780 459177593 /nfs/dbraw/zinc/17/75/93/459177593.db2.gz MOOJNTWZSFFLFI-LALPHHSUSA-N 1 3 343.393 3.010 10 0 EGAEHO CCN(CC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567852140 459178292 /nfs/dbraw/zinc/17/82/92/459178292.db2.gz SKGLMZHSYHAFLE-IBGZPJMESA-N 1 3 327.516 3.258 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000559899700 459282644 /nfs/dbraw/zinc/28/26/44/459282644.db2.gz PRDUTNALAFECGR-QEJZJMRPSA-N 1 3 328.378 3.390 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000560521478 459364392 /nfs/dbraw/zinc/36/43/92/459364392.db2.gz RZVZJUCKEZOWTN-UWHLTILDSA-N 1 3 327.516 3.286 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+]C3CCN(C4CC4)CC3)CC23CC3)cc1 ZINC000582904512 459449043 /nfs/dbraw/zinc/44/90/43/459449043.db2.gz WQHNUWRVVNFOLK-FQEVSTJZSA-N 1 3 339.527 3.400 10 0 EGAEHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000562989922 459686901 /nfs/dbraw/zinc/68/69/01/459686901.db2.gz BTOBKTAQCGEJKB-FQEVSTJZSA-N 1 3 334.479 3.116 10 0 EGAEHO CC(C)[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000543774416 459698309 /nfs/dbraw/zinc/69/83/09/459698309.db2.gz MWNPBUXNLFQCQY-IBGZPJMESA-N 1 3 339.474 3.279 10 0 EGAEHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350938 459717336 /nfs/dbraw/zinc/71/73/36/459717336.db2.gz JFGYGRVPOGSWIF-CABCVRRESA-N 1 3 327.476 3.276 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CCC2 ZINC000599069212 460151329 /nfs/dbraw/zinc/15/13/29/460151329.db2.gz DCJLWHMTIIHNQO-DNVCBOLYSA-N 1 3 330.472 3.172 10 0 EGAEHO CN1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC1(C)C ZINC000623347349 460500466 /nfs/dbraw/zinc/50/04/66/460500466.db2.gz ZBKDZXFDWZNFEJ-LJQANCHMSA-N 1 3 329.532 3.286 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCC(C)(C)N2CCc3ccccc3C2)CC1(C)C ZINC000623347349 460500473 /nfs/dbraw/zinc/50/04/73/460500473.db2.gz ZBKDZXFDWZNFEJ-LJQANCHMSA-N 1 3 329.532 3.286 10 0 EGAEHO C[N@H+]1CC[C@@H](NCC(C)(C)N2CCc3ccccc3C2)CC1(C)C ZINC000623347349 460500478 /nfs/dbraw/zinc/50/04/78/460500478.db2.gz ZBKDZXFDWZNFEJ-LJQANCHMSA-N 1 3 329.532 3.286 10 0 EGAEHO C[NH2+]CCOCCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629529194 460797991 /nfs/dbraw/zinc/79/79/91/460797991.db2.gz UYEGJZFURBKLNW-OAHLLOKOSA-N 1 3 331.485 3.013 10 0 EGAEHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCOCCC[NH3+] ZINC000629535734 460798626 /nfs/dbraw/zinc/79/86/26/460798626.db2.gz FDVOHZQINIUCMU-CQSZACIVSA-N 1 3 333.501 3.058 10 0 EGAEHO [NH3+]CCCOCCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000629534560 460799225 /nfs/dbraw/zinc/79/92/25/460799225.db2.gz AOUROROXXPJQPZ-OAHLLOKOSA-N 1 3 349.475 3.282 10 0 EGAEHO C[C@@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000624078764 460849500 /nfs/dbraw/zinc/84/95/00/460849500.db2.gz TXFMSATYACHNLY-SRCQZFHVSA-N 1 3 342.405 3.241 10 0 EGAEHO C[C@]1(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCCS1 ZINC000628198638 461046293 /nfs/dbraw/zinc/04/62/93/461046293.db2.gz FXAIBVCHKWAUOF-LJQANCHMSA-N 1 3 334.529 3.019 10 0 EGAEHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC1CC1 ZINC000628279954 461070214 /nfs/dbraw/zinc/07/02/14/461070214.db2.gz IZJHRHSPJZULST-SFHVURJKSA-N 1 3 344.499 3.400 10 0 EGAEHO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249737 461141226 /nfs/dbraw/zinc/14/12/26/461141226.db2.gz YZXSHESYEPJJJD-RTBURBONSA-N 1 3 330.472 3.133 10 0 EGAEHO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249737 461141235 /nfs/dbraw/zinc/14/12/35/461141235.db2.gz YZXSHESYEPJJJD-RTBURBONSA-N 1 3 330.472 3.133 10 0 EGAEHO Cc1ccc(CCC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249511 461141329 /nfs/dbraw/zinc/14/13/29/461141329.db2.gz VZOHCGKSMQRIGS-HXUWFJFHSA-N 1 3 328.500 3.161 10 0 EGAEHO Fc1ccc(F)c(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662259260 461147881 /nfs/dbraw/zinc/14/78/81/461147881.db2.gz SXEGFOJIAHMAGI-QGZVFWFLSA-N 1 3 336.426 3.230 10 0 EGAEHO CC(=O)c1ccc2c(c1)CCN(Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662279481 461162449 /nfs/dbraw/zinc/16/24/49/461162449.db2.gz KELVPEPJEASGBM-UHFFFAOYSA-N 1 3 334.463 3.136 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662297206 461175768 /nfs/dbraw/zinc/17/57/68/461175768.db2.gz OIIYZOJTHMKDKQ-PKOBYXMFSA-N 1 3 343.515 3.140 10 0 EGAEHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299044 461177019 /nfs/dbraw/zinc/17/70/19/461177019.db2.gz ZIMPTFGUOUHPIR-NVXWUHKLSA-N 1 3 347.478 3.173 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662387989 461228792 /nfs/dbraw/zinc/22/87/92/461228792.db2.gz YFRQQLVRUPWHEJ-HLIPFELVSA-N 1 3 343.515 3.095 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662450771 461248064 /nfs/dbraw/zinc/24/80/64/461248064.db2.gz VXWRETXNUBLCRY-FCEWJHQRSA-N 1 3 343.515 3.058 10 0 EGAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662455052 461249517 /nfs/dbraw/zinc/24/95/17/461249517.db2.gz UKJPPSQGTIDHJO-LPHOPBHVSA-N 1 3 343.515 3.238 10 0 EGAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662455052 461249518 /nfs/dbraw/zinc/24/95/18/461249518.db2.gz UKJPPSQGTIDHJO-LPHOPBHVSA-N 1 3 343.515 3.238 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)Cc1ccccc1 ZINC000668489302 461303467 /nfs/dbraw/zinc/30/34/67/461303467.db2.gz CQHRHFYCQIHPJA-PGRDOPGGSA-N 1 3 338.495 3.222 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000655819256 461475095 /nfs/dbraw/zinc/47/50/95/461475095.db2.gz XSTNXUIGRCBTPW-VAMGGRTRSA-N 1 3 328.500 3.303 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)[C@H](c2ccccc2)C1 ZINC000647249237 461589317 /nfs/dbraw/zinc/58/93/17/461589317.db2.gz LVHUEWAWMGSQBX-KNQAVFIVSA-N 1 3 346.478 3.307 10 0 EGAEHO c1ccc(COC2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663466981 461654992 /nfs/dbraw/zinc/65/49/92/461654992.db2.gz YKKPXPYCXZBFDE-MWXLCCTBSA-N 1 3 328.500 3.446 10 0 EGAEHO c1ccc(COC2CC(NC[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663466981 461654997 /nfs/dbraw/zinc/65/49/97/461654997.db2.gz YKKPXPYCXZBFDE-MWXLCCTBSA-N 1 3 328.500 3.446 10 0 EGAEHO c1ccc(COC2CC(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663466981 461655002 /nfs/dbraw/zinc/65/50/02/461655002.db2.gz YKKPXPYCXZBFDE-MWXLCCTBSA-N 1 3 328.500 3.446 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542880 461756678 /nfs/dbraw/zinc/75/66/78/461756678.db2.gz DHFSOZBDVJGEHN-SJORKVTESA-N 1 3 342.512 3.417 10 0 EGAEHO C[C@H]1C[C@H](CNCc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710101 461902619 /nfs/dbraw/zinc/90/26/19/461902619.db2.gz DMWRIBUZYTXJGP-LSDHHAIUSA-N 1 3 329.419 3.491 10 0 EGAEHO CCc1ccc2nccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000664009059 461911575 /nfs/dbraw/zinc/91/15/75/461911575.db2.gz RJOSGJWDMMUTJT-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO CCc1ccc2nccc(N3CCC([N@H+]4CCCOCC4)CC3)c2c1 ZINC000664009059 461911577 /nfs/dbraw/zinc/91/15/77/461911577.db2.gz RJOSGJWDMMUTJT-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO Cc1ccc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)[nH]c2c1 ZINC000657365301 462075345 /nfs/dbraw/zinc/07/53/45/462075345.db2.gz ZTSFBEADWLBSQH-MRXNPFEDSA-N 1 3 327.472 3.067 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000648450084 462123763 /nfs/dbraw/zinc/12/37/63/462123763.db2.gz RSPYYFLYDREVNU-AVRDEDQJSA-N 1 3 341.543 3.156 10 0 EGAEHO CN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000651198351 462132096 /nfs/dbraw/zinc/13/20/96/462132096.db2.gz BXDLNKCDRUIKPL-BQJUDKOJSA-N 1 3 327.516 3.113 10 0 EGAEHO c1nc(C2CCC2)sc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657534626 462170562 /nfs/dbraw/zinc/17/05/62/462170562.db2.gz BJVLFPYOVXROHM-UHFFFAOYSA-N 1 3 349.544 3.391 10 0 EGAEHO Clc1sccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657537238 462172466 /nfs/dbraw/zinc/17/24/66/462172466.db2.gz DUCBYJVFVPPPLY-UHFFFAOYSA-N 1 3 328.909 3.382 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc4ncccc4c3)cc2)C1 ZINC000657593707 462195625 /nfs/dbraw/zinc/19/56/25/462195625.db2.gz CBVNTNCCMARWPJ-NRFANRHFSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4ncccc4c3)cc2)C1 ZINC000657593707 462195631 /nfs/dbraw/zinc/19/56/31/462195631.db2.gz CBVNTNCCMARWPJ-NRFANRHFSA-N 1 3 347.462 3.091 10 0 EGAEHO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657595365 462196014 /nfs/dbraw/zinc/19/60/14/462196014.db2.gz HEGSUDDYEYHNTK-YYWHXJBOSA-N 1 3 328.500 3.335 10 0 EGAEHO Cc1cccc2[nH]c(CNCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cc21 ZINC000657598065 462199444 /nfs/dbraw/zinc/19/94/44/462199444.db2.gz XQIHHILLUNWTOS-HXUWFJFHSA-N 1 3 349.478 3.333 10 0 EGAEHO Cc1cccc2[nH]c(CNCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cc21 ZINC000657598065 462199451 /nfs/dbraw/zinc/19/94/51/462199451.db2.gz XQIHHILLUNWTOS-HXUWFJFHSA-N 1 3 349.478 3.333 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667688098 462215962 /nfs/dbraw/zinc/21/59/62/462215962.db2.gz FPNHPZKRVDSXNU-KRWDZBQOSA-N 1 3 330.520 3.306 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667688098 462215965 /nfs/dbraw/zinc/21/59/65/462215965.db2.gz FPNHPZKRVDSXNU-KRWDZBQOSA-N 1 3 330.520 3.306 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000657790680 462266641 /nfs/dbraw/zinc/26/66/41/462266641.db2.gz MQEKLKVMNIDQMK-QHAWAJNXSA-N 1 3 340.442 3.194 10 0 EGAEHO CCn1c2ccccc2nc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813033 462279169 /nfs/dbraw/zinc/27/91/69/462279169.db2.gz ZCMNUHLTVSRXJP-UHFFFAOYSA-N 1 3 326.488 3.268 10 0 EGAEHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657839093 462291477 /nfs/dbraw/zinc/29/14/77/462291477.db2.gz LNKYTUWMLBRZAB-FQEVSTJZSA-N 1 3 347.572 3.199 10 0 EGAEHO COC[C@@H](CC(C)(C)C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000651831830 462352117 /nfs/dbraw/zinc/35/21/17/462352117.db2.gz JRBHZJKCBVXKLP-LJQANCHMSA-N 1 3 348.531 3.054 10 0 EGAEHO C[C@@H](N)C[C@H](C)[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265066 462376115 /nfs/dbraw/zinc/37/61/15/462376115.db2.gz ONEQBQLKCTWSNU-OLZOCXBDSA-N 1 3 325.294 3.487 10 0 EGAEHO C[C@@H]([NH3+])C[C@H](C)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000665265066 462376119 /nfs/dbraw/zinc/37/61/19/462376119.db2.gz ONEQBQLKCTWSNU-OLZOCXBDSA-N 1 3 325.294 3.487 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)cc2)C1 ZINC000658135404 462399097 /nfs/dbraw/zinc/39/90/97/462399097.db2.gz DLQGLRKGBLZQEK-XUVXKRRUSA-N 1 3 334.479 3.261 10 0 EGAEHO CCCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665454401 462459790 /nfs/dbraw/zinc/45/97/90/462459790.db2.gz QAZVGFMXUZKNIQ-INIZCTEOSA-N 1 3 334.508 3.033 10 0 EGAEHO CCCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665454401 462459793 /nfs/dbraw/zinc/45/97/93/462459793.db2.gz QAZVGFMXUZKNIQ-INIZCTEOSA-N 1 3 334.508 3.033 10 0 EGAEHO CN(C)CCOc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000093704951 546685896 /nfs/dbraw/zinc/68/58/96/546685896.db2.gz UXIGEYCMDROWHP-UHFFFAOYSA-N 1 3 346.515 3.266 10 0 EGAEHO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC[C@H]1CCCCN1C ZINC000675499041 548930340 /nfs/dbraw/zinc/93/03/40/548930340.db2.gz JXNANDMPIOHHBG-TZIWHRDSSA-N 1 3 329.532 3.457 10 0 EGAEHO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CC[C@H]1CCCCN1C ZINC000675499041 548930344 /nfs/dbraw/zinc/93/03/44/548930344.db2.gz JXNANDMPIOHHBG-TZIWHRDSSA-N 1 3 329.532 3.457 10 0 EGAEHO Cc1cc([C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C2CC2)ccc1F ZINC000678687442 576169318 /nfs/dbraw/zinc/16/93/18/576169318.db2.gz YSQWNENQJADZFO-RXVVDRJESA-N 1 3 345.506 3.343 10 0 EGAEHO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169782602 1294372414 /nfs/dbraw/zinc/37/24/14/1294372414.db2.gz NKUAPKFOIWTOKY-QGZVFWFLSA-N 1 3 332.488 3.301 10 0 EGAEHO COC[C@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccc(C)o1)CC2 ZINC000169782602 1294372420 /nfs/dbraw/zinc/37/24/20/1294372420.db2.gz NKUAPKFOIWTOKY-QGZVFWFLSA-N 1 3 332.488 3.301 10 0 EGAEHO C[C@H]1C[C@H](NCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268827821 1296703678 /nfs/dbraw/zinc/70/36/78/1296703678.db2.gz LSALAHBWIRAYFM-FUHWJXTLSA-N 1 3 347.503 3.154 10 0 EGAEHO C[C@H]1C[C@H](NCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268827821 1296703687 /nfs/dbraw/zinc/70/36/87/1296703687.db2.gz LSALAHBWIRAYFM-FUHWJXTLSA-N 1 3 347.503 3.154 10 0 EGAEHO Cc1cc(C)nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000721776662 1298333520 /nfs/dbraw/zinc/33/35/20/1298333520.db2.gz ODELDEWDPLFAHR-UHFFFAOYSA-N 1 3 325.456 3.137 10 0 EGAEHO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894454774 1308896701 /nfs/dbraw/zinc/89/67/01/1308896701.db2.gz XRTPBFSOEHCIGJ-JVJLKXRTSA-N 1 3 344.499 3.217 10 0 EGAEHO COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894740187 1309046703 /nfs/dbraw/zinc/04/67/03/1309046703.db2.gz FZYQPGQXNPYJMV-OTWHNJEPSA-N 1 3 344.499 3.218 10 0 EGAEHO CN(C)Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000899672005 1317128915 /nfs/dbraw/zinc/12/89/15/1317128915.db2.gz LYBZVVLDCWSAEF-UHFFFAOYSA-N 1 3 343.393 3.047 10 0 EGAEHO O=c1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cc[nH]1 ZINC000921705307 1322381361 /nfs/dbraw/zinc/38/13/61/1322381361.db2.gz SLHBKIIAKMYQMO-UHFFFAOYSA-N 1 3 345.874 3.442 10 0 EGAEHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C[C@H](C)O1 ZINC000921758321 1322393988 /nfs/dbraw/zinc/39/39/88/1322393988.db2.gz DBACLKZCNWOESO-IRXDYDNUSA-N 1 3 348.535 3.057 10 0 EGAEHO CN(C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)CC(C)(C)C[NH3+] ZINC000923294816 1322727481 /nfs/dbraw/zinc/72/74/81/1322727481.db2.gz QINRMSAFFWFDBM-DZGCQCFKSA-N 1 3 330.394 3.085 10 0 EGAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000923439042 1322752171 /nfs/dbraw/zinc/75/21/71/1322752171.db2.gz CEWKSQYUTGHWFC-HNNXBMFYSA-N 1 3 328.378 3.035 10 0 EGAEHO COC(=O)c1sc2ccccc2c1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500544 1322762332 /nfs/dbraw/zinc/76/23/32/1322762332.db2.gz VUWVYYFWGKVMNC-CHWSQXEVSA-N 1 3 332.469 3.105 10 0 EGAEHO Cc1nc2c(o1)CCC[C@@H]2NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000924969629 1323232787 /nfs/dbraw/zinc/23/27/87/1323232787.db2.gz LIABVUVROZBLKZ-SFHVURJKSA-N 1 3 343.471 3.133 10 0 EGAEHO Cc1nc2c(o1)CCC[C@@H]2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000925300213 1325116738 /nfs/dbraw/zinc/11/67/38/1325116738.db2.gz IUOKIWHRPAFHHV-KRWDZBQOSA-N 1 3 326.444 3.262 10 0 EGAEHO COc1ccc(OC)c(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925504686 1325181694 /nfs/dbraw/zinc/18/16/94/1325181694.db2.gz LRWCPMNCCUGGSN-RBUKOAKNSA-N 1 3 332.488 3.004 10 0 EGAEHO COc1cccc([C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)N2CCCC2)c1 ZINC000925507270 1325183219 /nfs/dbraw/zinc/18/32/19/1325183219.db2.gz VMCQLHOUVUPDCH-HBFSDRIKSA-N 1 3 345.531 3.328 10 0 EGAEHO c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925536084 1325196120 /nfs/dbraw/zinc/19/61/20/1325196120.db2.gz MWUZLJGHLNVWRU-NHCUHLMSSA-N 1 3 338.499 3.173 10 0 EGAEHO C[C@H](O)C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)c1ccccc1 ZINC000925551996 1325204920 /nfs/dbraw/zinc/20/49/20/1325204920.db2.gz DSFPYAGRMMSCQV-ZXNZYJFHSA-N 1 3 330.516 3.299 10 0 EGAEHO COc1ccc(COCCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925566097 1325213204 /nfs/dbraw/zinc/21/32/04/1325213204.db2.gz DCLZBVMOLJJISW-SFTDATJTSA-N 1 3 346.515 3.360 10 0 EGAEHO c1cc(CN2CCSCC2)cc(N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925604406 1325229275 /nfs/dbraw/zinc/22/92/75/1325229275.db2.gz YIPDZPIYWPTLIJ-SFHVURJKSA-N 1 3 331.529 3.322 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000925717839 1325268291 /nfs/dbraw/zinc/26/82/91/1325268291.db2.gz VELRARZTEQUYJP-VAMGGRTRSA-N 1 3 346.515 3.378 10 0 EGAEHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725706 1325270275 /nfs/dbraw/zinc/27/02/75/1325270275.db2.gz NCBBRPASHRLAFV-XGCTXWDBSA-N 1 3 347.300 3.206 10 0 EGAEHO Cc1c([C@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC000925797424 1325306748 /nfs/dbraw/zinc/30/67/48/1325306748.db2.gz HFLZMAUTWNXHMA-VNHYZAJKSA-N 1 3 347.894 3.125 10 0 EGAEHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cc1 ZINC000925811320 1325311985 /nfs/dbraw/zinc/31/19/85/1325311985.db2.gz ZQXFCLWCJNUMSV-MRXNPFEDSA-N 1 3 327.447 3.082 10 0 EGAEHO CC(C)CC[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850102 1325329113 /nfs/dbraw/zinc/32/91/13/1325329113.db2.gz NBWWKXIHIPDIFH-IRXDYDNUSA-N 1 3 334.460 3.032 10 0 EGAEHO C[C@H](NCc1ccc2oc(=O)[nH]c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926831522 1327736036 /nfs/dbraw/zinc/73/60/36/1327736036.db2.gz CMXAWDLWBVVWMT-ZDUSSCGKSA-N 1 3 325.412 3.446 10 0 EGAEHO CC(C)CC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1 ZINC000926879768 1327754170 /nfs/dbraw/zinc/75/41/70/1327754170.db2.gz WJCIZERZITXLEL-IZBJGVDFSA-N 1 3 338.536 3.059 10 0 EGAEHO C[C@H]1[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000926893424 1327761475 /nfs/dbraw/zinc/76/14/75/1327761475.db2.gz QHPVQFGSIHMGCD-XCDJFROHSA-N 1 3 327.516 3.254 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cccnc2Br)CC1 ZINC000865451420 1329699193 /nfs/dbraw/zinc/69/91/93/1329699193.db2.gz NJXSUSYHJGJLCY-UHFFFAOYSA-N 1 3 326.282 3.056 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866231006 1330081254 /nfs/dbraw/zinc/08/12/54/1330081254.db2.gz LICJBDPEIXLUGI-OAQYLSRUSA-N 1 3 337.511 3.444 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001326541541 1388234680 /nfs/dbraw/zinc/23/46/80/1388234680.db2.gz JTAMMLKZFGXKRS-GUDVDZBRSA-N 1 3 337.552 3.314 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001269740497 1377568556 /nfs/dbraw/zinc/56/85/56/1377568556.db2.gz HAXMIWGQTMHWJW-OOFWQKGWSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001271585190 1377641208 /nfs/dbraw/zinc/64/12/08/1377641208.db2.gz IVHXOQVBUFLMSJ-QGZVFWFLSA-N 1 3 334.508 3.139 10 0 EGAEHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CCCCCC1 ZINC001271939748 1377653611 /nfs/dbraw/zinc/65/36/11/1377653611.db2.gz GXKJBSBVVHFASO-GOSISDBHSA-N 1 3 325.541 3.027 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001275768221 1378156602 /nfs/dbraw/zinc/15/66/02/1378156602.db2.gz NTLWBZQFSFPFEQ-HQYUYXFKSA-N 1 3 335.536 3.092 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250384 1379633552 /nfs/dbraw/zinc/63/35/52/1379633552.db2.gz ZUTIVFOGZCWTNM-YLJYHZDGSA-N 1 3 343.515 3.036 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001284346481 1379743999 /nfs/dbraw/zinc/74/39/99/1379743999.db2.gz IMUBGSOISLMZAR-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001284653442 1380068682 /nfs/dbraw/zinc/06/86/82/1380068682.db2.gz RWNZDDDHLKUYML-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)C[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001284702004 1380116632 /nfs/dbraw/zinc/11/66/32/1380116632.db2.gz JBFPGMLIWXYCSQ-ZWKOTPCHSA-N 1 3 339.568 3.226 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284724329 1380144974 /nfs/dbraw/zinc/14/49/74/1380144974.db2.gz VHYBPIQEFFYPQI-KAGICYHLSA-N 1 3 349.563 3.291 10 0 EGAEHO CCCCC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001284917019 1380309523 /nfs/dbraw/zinc/30/95/23/1380309523.db2.gz COVHTOVTWJHXFE-UHFFFAOYSA-N 1 3 335.536 3.189 10 0 EGAEHO CCCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001284917019 1380309528 /nfs/dbraw/zinc/30/95/28/1380309528.db2.gz COVHTOVTWJHXFE-UHFFFAOYSA-N 1 3 335.536 3.189 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCC1 ZINC001328413834 1388740610 /nfs/dbraw/zinc/74/06/10/1388740610.db2.gz HKKCZSQVXAMJGQ-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328812219 1388878006 /nfs/dbraw/zinc/87/80/06/1388878006.db2.gz KZDLPJHXRUZKHD-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328812219 1388878011 /nfs/dbraw/zinc/87/80/11/1388878011.db2.gz KZDLPJHXRUZKHD-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001316684493 1384524437 /nfs/dbraw/zinc/52/44/37/1384524437.db2.gz XWKOHLMFLNEZCM-LPHOPBHVSA-N 1 3 346.519 3.139 10 0 EGAEHO CC/C=C/CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001316986678 1384742417 /nfs/dbraw/zinc/74/24/17/1384742417.db2.gz ROQHXEGGRGGDPS-XCJDPYLSSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C/CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001316986678 1384742420 /nfs/dbraw/zinc/74/24/20/1384742420.db2.gz ROQHXEGGRGGDPS-XCJDPYLSSA-N 1 3 347.547 3.330 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)C)CC[C@H]21 ZINC001317099304 1384862392 /nfs/dbraw/zinc/86/23/92/1384862392.db2.gz AOSNEJXZGHWYGF-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCC(C)C)CC[C@H]21 ZINC001317099304 1384862395 /nfs/dbraw/zinc/86/23/95/1384862395.db2.gz AOSNEJXZGHWYGF-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21)CC(C)(C)C ZINC001317105978 1384869482 /nfs/dbraw/zinc/86/94/82/1384869482.db2.gz PKCRICVMHYECBB-RTBURBONSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21)CC(C)(C)C ZINC001317105978 1384869483 /nfs/dbraw/zinc/86/94/83/1384869483.db2.gz PKCRICVMHYECBB-RTBURBONSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001317195132 1384968978 /nfs/dbraw/zinc/96/89/78/1384968978.db2.gz MAVOTSUQYHKMIJ-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317208254 1384984354 /nfs/dbraw/zinc/98/43/54/1384984354.db2.gz XRSUAKNRUBPBKC-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317208254 1384984357 /nfs/dbraw/zinc/98/43/57/1384984357.db2.gz XRSUAKNRUBPBKC-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)N2CCCCCC2)cc1 ZINC001317271476 1385041934 /nfs/dbraw/zinc/04/19/34/1385041934.db2.gz NKPDIZZGINWCJH-ROUUACIJSA-N 1 3 345.531 3.108 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCC1CCCC1 ZINC001317272538 1385043235 /nfs/dbraw/zinc/04/32/35/1385043235.db2.gz ULRVIDAOTNIPDA-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001317346485 1385096404 /nfs/dbraw/zinc/09/64/04/1385096404.db2.gz VMVVCZCMQKXMDR-RTBURBONSA-N 1 3 345.531 3.143 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530731 1385255144 /nfs/dbraw/zinc/25/51/44/1385255144.db2.gz ZBKDNOSDQSSSTD-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530731 1385255149 /nfs/dbraw/zinc/25/51/49/1385255149.db2.gz ZBKDNOSDQSSSTD-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCC[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001317725331 1385425329 /nfs/dbraw/zinc/42/53/29/1385425329.db2.gz SIHOHXVESRQQJJ-UYAOXDASSA-N 1 3 345.531 3.498 10 0 EGAEHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001317854598 1385538213 /nfs/dbraw/zinc/53/82/13/1385538213.db2.gz QLBZTJTXFCLECR-LJQANCHMSA-N 1 3 349.563 3.245 10 0 EGAEHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001317854598 1385538217 /nfs/dbraw/zinc/53/82/17/1385538217.db2.gz QLBZTJTXFCLECR-LJQANCHMSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317861868 1385545827 /nfs/dbraw/zinc/54/58/27/1385545827.db2.gz FFDIDENLEJXPBG-RLFQVEEXSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317861868 1385545831 /nfs/dbraw/zinc/54/58/31/1385545831.db2.gz FFDIDENLEJXPBG-RLFQVEEXSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318403421 1385674456 /nfs/dbraw/zinc/67/44/56/1385674456.db2.gz RPRRRRNOKCHKIN-ZWKOTPCHSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318403421 1385674457 /nfs/dbraw/zinc/67/44/57/1385674457.db2.gz RPRRRRNOKCHKIN-ZWKOTPCHSA-N 1 3 337.552 3.218 10 0 EGAEHO C[C@H](F)CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001318670671 1385829155 /nfs/dbraw/zinc/82/91/55/1385829155.db2.gz LGSVLSLSOVKGQP-INIZCTEOSA-N 1 3 349.494 3.129 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001318672258 1385830183 /nfs/dbraw/zinc/83/01/83/1385830183.db2.gz WONXRJKNDIGKTC-HOTGVXAUSA-N 1 3 349.544 3.140 10 0 EGAEHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001319389519 1386099490 /nfs/dbraw/zinc/09/94/90/1386099490.db2.gz MRKMHPKYWXJFKQ-UHFFFAOYSA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001319621783 1386216509 /nfs/dbraw/zinc/21/65/09/1386216509.db2.gz ZVMKPMLNQAJDQD-SFHVURJKSA-N 1 3 349.563 3.172 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001320547962 1386644825 /nfs/dbraw/zinc/64/48/25/1386644825.db2.gz IDAKCBZTCYSUTH-GOSISDBHSA-N 1 3 347.547 3.266 10 0 EGAEHO CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@@H]1CCCCN1CC ZINC001320928109 1386761040 /nfs/dbraw/zinc/76/10/40/1386761040.db2.gz GGHZBCRADHINRR-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cc1 ZINC001321188949 1386835722 /nfs/dbraw/zinc/83/57/22/1386835722.db2.gz KQGGKUPDLNKWSW-RSLBVYTFSA-N 1 3 343.515 3.227 10 0 EGAEHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC001321757203 1386976297 /nfs/dbraw/zinc/97/62/97/1386976297.db2.gz YDDHMVSDFRAPMR-PBHICJAKSA-N 1 3 339.911 3.226 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280948 1387137085 /nfs/dbraw/zinc/13/70/85/1387137085.db2.gz LLGHPAXAPYJTLG-JXFKEZNVSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280948 1387137087 /nfs/dbraw/zinc/13/70/87/1387137087.db2.gz LLGHPAXAPYJTLG-JXFKEZNVSA-N 1 3 345.531 3.087 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]CCC(C)(C)C)c1 ZINC001322843470 1387244942 /nfs/dbraw/zinc/24/49/42/1387244942.db2.gz BXDNWQYFQSTULS-UHFFFAOYSA-N 1 3 333.520 3.236 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001322852431 1387247061 /nfs/dbraw/zinc/24/70/61/1387247061.db2.gz OLQSMQMASDTJJD-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C)N(C)C ZINC001329923855 1389261347 /nfs/dbraw/zinc/26/13/47/1389261347.db2.gz PVQFYHMVWLJYGF-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)(C)C)N(C)C ZINC001329923855 1389261354 /nfs/dbraw/zinc/26/13/54/1389261354.db2.gz PVQFYHMVWLJYGF-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330469305 1389422663 /nfs/dbraw/zinc/42/26/63/1389422663.db2.gz QQEBGGLRRXCRSC-OTWHNJEPSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001330469305 1389422666 /nfs/dbraw/zinc/42/26/66/1389422666.db2.gz QQEBGGLRRXCRSC-OTWHNJEPSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001331617080 1389831108 /nfs/dbraw/zinc/83/11/08/1389831108.db2.gz RERGTNBTQMKCPQ-UZLBHIALSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339608 1390091205 /nfs/dbraw/zinc/09/12/05/1390091205.db2.gz GQVKJWQWDIRTRZ-MOPGFXCFSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1)N1CCCC1 ZINC001332405574 1390107965 /nfs/dbraw/zinc/10/79/65/1390107965.db2.gz ULCKTHIWPIQNBX-GOSISDBHSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1)N(C)C ZINC001332422411 1390112331 /nfs/dbraw/zinc/11/23/31/1390112331.db2.gz HXYBJXCWDDJUQQ-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001332993420 1390232442 /nfs/dbraw/zinc/23/24/42/1390232442.db2.gz VEZPEXSKXGFGES-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001479249159 1392199392 /nfs/dbraw/zinc/19/93/92/1392199392.db2.gz FCJQPHPFCITLQO-HKUYNNGSSA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001479495602 1392257369 /nfs/dbraw/zinc/25/73/69/1392257369.db2.gz RDIUENXFFGAYHF-CMKODMSKSA-N 1 3 345.531 3.271 10 0 EGAEHO CC(C)c1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001479716691 1392335379 /nfs/dbraw/zinc/33/53/79/1392335379.db2.gz PBGKATZYNPJNCZ-XLIONFOSSA-N 1 3 345.531 3.231 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCCN2CC)c1 ZINC001698859229 1406567922 /nfs/dbraw/zinc/56/79/22/1406567922.db2.gz BQXSCFOHPHOPGK-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963500 1392499239 /nfs/dbraw/zinc/49/92/39/1392499239.db2.gz IIFHOXBBNJTTNJ-MOPGFXCFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963500 1392499242 /nfs/dbraw/zinc/49/92/42/1392499242.db2.gz IIFHOXBBNJTTNJ-MOPGFXCFSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001480361973 1392706096 /nfs/dbraw/zinc/70/60/96/1392706096.db2.gz WXJIZKDBVWBQKN-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001480368391 1392710761 /nfs/dbraw/zinc/71/07/61/1392710761.db2.gz VHCWDIXROMECNN-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001480515132 1392775890 /nfs/dbraw/zinc/77/58/90/1392775890.db2.gz CUCOKLKUYVFKHQ-SFHVURJKSA-N 1 3 345.531 3.081 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@@H](C)c1cc(C)ccc1C ZINC001481019344 1393095717 /nfs/dbraw/zinc/09/57/17/1393095717.db2.gz PSFXKVDNYBPFBI-SFHVURJKSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@@H](C)c1cc(C)ccc1C ZINC001481019344 1393095718 /nfs/dbraw/zinc/09/57/18/1393095718.db2.gz PSFXKVDNYBPFBI-SFHVURJKSA-N 1 3 333.520 3.143 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001481327303 1393164386 /nfs/dbraw/zinc/16/43/86/1393164386.db2.gz FAOPPELLJUASKY-XLIONFOSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CCC(C[NH2+][C@@H](CNC(=O)C(C)(C)N2CCCC2)C2CC2)CC1 ZINC001490694302 1394297711 /nfs/dbraw/zinc/29/77/11/1394297711.db2.gz OWFUBUHXIAULPD-TVPLGVNVSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)N(C)C ZINC001490947915 1394382068 /nfs/dbraw/zinc/38/20/68/1394382068.db2.gz DCDXANBLAFNTKA-VAMGGRTRSA-N 1 3 343.515 3.031 10 0 EGAEHO CCC/C=C\CCN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709915 1394469183 /nfs/dbraw/zinc/46/91/83/1394469183.db2.gz XMZZIQCQZPBNLP-MGBKSAOESA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001491206584 1394471275 /nfs/dbraw/zinc/47/12/75/1394471275.db2.gz OYJQMBJCTDYPQA-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001491206584 1394471277 /nfs/dbraw/zinc/47/12/77/1394471277.db2.gz OYJQMBJCTDYPQA-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218699 1394477031 /nfs/dbraw/zinc/47/70/31/1394477031.db2.gz JBDMAPFKVGGOJU-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218699 1394477033 /nfs/dbraw/zinc/47/70/33/1394477033.db2.gz JBDMAPFKVGGOJU-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001481744068 1394490206 /nfs/dbraw/zinc/49/02/06/1394490206.db2.gz JRURWBPKCVVTBH-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001481744068 1394490209 /nfs/dbraw/zinc/49/02/09/1394490209.db2.gz JRURWBPKCVVTBH-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccsc1 ZINC001481880195 1394574678 /nfs/dbraw/zinc/57/46/78/1394574678.db2.gz CLUIUGAHACLAIZ-GOSISDBHSA-N 1 3 345.512 3.108 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)c1ccccc1Cl ZINC001481880543 1394574733 /nfs/dbraw/zinc/57/47/33/1394574733.db2.gz GMEKTWGEYJHHKG-CABCVRRESA-N 1 3 339.911 3.226 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001482071904 1394735481 /nfs/dbraw/zinc/73/54/81/1394735481.db2.gz MJILZPLEFAMUOC-LJQANCHMSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001482071904 1394735484 /nfs/dbraw/zinc/73/54/84/1394735484.db2.gz MJILZPLEFAMUOC-LJQANCHMSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCCC2CCCC2)CCC1 ZINC001483933186 1395150588 /nfs/dbraw/zinc/15/05/88/1395150588.db2.gz FPOGIJBGMXOUHX-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1 ZINC001484927503 1395594616 /nfs/dbraw/zinc/59/46/16/1395594616.db2.gz UTKNFOQSAUEMKQ-UHFFFAOYSA-N 1 3 335.536 3.189 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082153 1395651623 /nfs/dbraw/zinc/65/16/23/1395651623.db2.gz MLXGTZPQNHOEIZ-XOUUWWQPSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082153 1395651625 /nfs/dbraw/zinc/65/16/25/1395651625.db2.gz MLXGTZPQNHOEIZ-XOUUWWQPSA-N 1 3 349.563 3.245 10 0 EGAEHO CC1CCC(C[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001698996926 1406796823 /nfs/dbraw/zinc/79/68/23/1406796823.db2.gz PMBYOOVUFKVSBO-UHFFFAOYSA-N 1 3 339.568 3.181 10 0 EGAEHO CC1CCC(C[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001698996926 1406796824 /nfs/dbraw/zinc/79/68/24/1406796824.db2.gz PMBYOOVUFKVSBO-UHFFFAOYSA-N 1 3 339.568 3.181 10 0 EGAEHO CCCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC001485587377 1396063768 /nfs/dbraw/zinc/06/37/68/1396063768.db2.gz UXHMVAIGYNDFDI-LJQANCHMSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCCC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC001485587377 1396063774 /nfs/dbraw/zinc/06/37/74/1396063774.db2.gz UXHMVAIGYNDFDI-LJQANCHMSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@@H](CCC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001485722484 1396118085 /nfs/dbraw/zinc/11/80/85/1396118085.db2.gz KWFSVVXOLASOCO-ADKAHSJRSA-N 1 3 337.552 3.172 10 0 EGAEHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)CCC1 ZINC001485815263 1396157475 /nfs/dbraw/zinc/15/74/75/1396157475.db2.gz XWPLLVCKAURLRQ-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001485961064 1396174173 /nfs/dbraw/zinc/17/41/73/1396174173.db2.gz QAAMXKHCJGXBJO-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159171 1396389646 /nfs/dbraw/zinc/38/96/46/1396389646.db2.gz IEADSCHZVDQCPU-AZUAARDMSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159171 1396389650 /nfs/dbraw/zinc/38/96/50/1396389650.db2.gz IEADSCHZVDQCPU-AZUAARDMSA-N 1 3 349.563 3.079 10 0 EGAEHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001699004007 1406821842 /nfs/dbraw/zinc/82/18/42/1406821842.db2.gz KROCMVCQLQEGNH-OALUTQOASA-N 1 3 345.531 3.066 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001494576913 1396475150 /nfs/dbraw/zinc/47/51/50/1396475150.db2.gz KINLYWFFEMCGMK-QZTJIDSGSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001689056517 1396857686 /nfs/dbraw/zinc/85/76/86/1396857686.db2.gz VFSQIUKAOGKQQJ-MSOLQXFVSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001689091852 1396897074 /nfs/dbraw/zinc/89/70/74/1396897074.db2.gz TXSOEMUIICWYMH-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001689267074 1396998606 /nfs/dbraw/zinc/99/86/06/1396998606.db2.gz DENPQKFKDDQVGZ-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001689270056 1397000815 /nfs/dbraw/zinc/00/08/15/1397000815.db2.gz GVXLXKUSLRKQAP-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001498492839 1397036654 /nfs/dbraw/zinc/03/66/54/1397036654.db2.gz UZLDUGUQCQBZPR-QZTJIDSGSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001499243656 1397065132 /nfs/dbraw/zinc/06/51/32/1397065132.db2.gz LLCOKEZNKMERQE-HKUYNNGSSA-N 1 3 343.515 3.169 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC001689353667 1403685956 /nfs/dbraw/zinc/68/59/56/1403685956.db2.gz JVMFCYBBWSBEQT-ICSRJNTNSA-N 1 3 345.531 3.402 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001689353667 1403685962 /nfs/dbraw/zinc/68/59/62/1403685962.db2.gz JVMFCYBBWSBEQT-ICSRJNTNSA-N 1 3 345.531 3.402 10 0 EGAEHO CCCN(C)CC(=O)N(CCC)C1CC[NH+](CC2CCCC2)CC1 ZINC001690138637 1404336888 /nfs/dbraw/zinc/33/68/88/1404336888.db2.gz KMYFREXVMOPHIG-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001690368472 1404500451 /nfs/dbraw/zinc/50/04/51/1404500451.db2.gz ZDXOGQRQXSPJAA-KDURUIRLSA-N 1 3 331.504 3.035 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC(CC)CC)CC1 ZINC001690534287 1404624685 /nfs/dbraw/zinc/62/46/85/1404624685.db2.gz POIATDITDFXRIO-CTWPCTMYSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)N1CCCCCC1 ZINC001691172908 1405109045 /nfs/dbraw/zinc/10/90/45/1405109045.db2.gz VWHWAVAHPQWFTG-IHPCNDPISA-N 1 3 347.547 3.236 10 0 EGAEHO Cc1ccc(C)c([C@H](C)N2CC[C@@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394660 1405231705 /nfs/dbraw/zinc/23/17/05/1405231705.db2.gz BYOVUFZQMZYONK-RBUKOAKNSA-N 1 3 345.531 3.239 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1)N(C)C ZINC001691410875 1405249511 /nfs/dbraw/zinc/24/95/11/1405249511.db2.gz VBJYRXSTRIIWKF-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1)N(C)C ZINC001691410875 1405249514 /nfs/dbraw/zinc/24/95/14/1405249514.db2.gz VBJYRXSTRIIWKF-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691500977 1405306212 /nfs/dbraw/zinc/30/62/12/1405306212.db2.gz ARHYHBJPGXWBGT-KZNAEPCWSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)N1CCCC1 ZINC001691734445 1405456723 /nfs/dbraw/zinc/45/67/23/1405456723.db2.gz JANGZTFECSKZKW-KDURUIRLSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001691794159 1405504573 /nfs/dbraw/zinc/50/45/73/1405504573.db2.gz RQARYHSPMHRHJK-KRWDZBQOSA-N 1 3 325.541 3.077 10 0 EGAEHO CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001691794159 1405504574 /nfs/dbraw/zinc/50/45/74/1405504574.db2.gz RQARYHSPMHRHJK-KRWDZBQOSA-N 1 3 325.541 3.077 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823228 1405539133 /nfs/dbraw/zinc/53/91/33/1405539133.db2.gz LDUVPFDXNLIWJI-GIFJBRJJSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823228 1405539135 /nfs/dbraw/zinc/53/91/35/1405539135.db2.gz LDUVPFDXNLIWJI-GIFJBRJJSA-N 1 3 337.552 3.290 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001691825599 1405541742 /nfs/dbraw/zinc/54/17/42/1405541742.db2.gz PWXNLVCQBLHKGD-GUDVDZBRSA-N 1 3 345.531 3.191 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1)N(C)C ZINC001691885921 1405608925 /nfs/dbraw/zinc/60/89/25/1405608925.db2.gz SKPXIUQCXXDSLA-OTWHNJEPSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568873 1406172727 /nfs/dbraw/zinc/17/27/27/1406172727.db2.gz GWCPVROLXFOMDA-PMACEKPBSA-N 1 3 345.531 3.148 10 0 EGAEHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001732224534 1428473136 /nfs/dbraw/zinc/47/31/36/1428473136.db2.gz TWNXRSKKEPXUBC-IBGZPJMESA-N 1 3 345.531 3.282 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001732399890 1428566011 /nfs/dbraw/zinc/56/60/11/1428566011.db2.gz IZCBXOBNSMNRJV-IAGOWNOFSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C(C)(C)N1CCCC1 ZINC001732467422 1428597129 /nfs/dbraw/zinc/59/71/29/1428597129.db2.gz XJHKXSAEEXUMHH-LJQANCHMSA-N 1 3 345.531 3.182 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001732516477 1428635882 /nfs/dbraw/zinc/63/58/82/1428635882.db2.gz YRKVNPGBFPQPHZ-GOSISDBHSA-N 1 3 337.552 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068366 1412493745 /nfs/dbraw/zinc/49/37/45/1412493745.db2.gz XPNLAZSTRMVUDS-OALUTQOASA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]([NH2+]C/C=C\CNC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001699268267 1412606037 /nfs/dbraw/zinc/60/60/37/1412606037.db2.gz VLSBULBAHWKXHE-ABCZVMIZSA-N 1 3 349.906 3.147 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC001699336547 1412647238 /nfs/dbraw/zinc/64/72/38/1412647238.db2.gz SFQFJVCVJNYRRA-HFZJXRFXSA-N 1 3 349.906 3.005 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC001699336547 1412647240 /nfs/dbraw/zinc/64/72/40/1412647240.db2.gz SFQFJVCVJNYRRA-HFZJXRFXSA-N 1 3 349.906 3.005 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC/C=C\C[NH2+]CCC(C)(C)C)c1 ZINC001699345581 1412654902 /nfs/dbraw/zinc/65/49/02/1412654902.db2.gz PTKQKXCFUOPWII-SREVYHEPSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575700 1412932363 /nfs/dbraw/zinc/93/23/63/1412932363.db2.gz IBRVURQKJYTRNW-VQTJNVASSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)N1CCCCC1 ZINC001699622316 1412986265 /nfs/dbraw/zinc/98/62/65/1412986265.db2.gz QMFPVYYONUBXAN-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1)N1CCCCC1 ZINC001699622316 1412986268 /nfs/dbraw/zinc/98/62/68/1412986268.db2.gz QMFPVYYONUBXAN-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CC(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700191737 1413622091 /nfs/dbraw/zinc/62/20/91/1413622091.db2.gz HMWUJEPMBUKPMQ-UHFFFAOYSA-N 1 3 327.557 3.181 10 0 EGAEHO CN(CC(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700191737 1413622095 /nfs/dbraw/zinc/62/20/95/1413622095.db2.gz HMWUJEPMBUKPMQ-UHFFFAOYSA-N 1 3 327.557 3.181 10 0 EGAEHO CCC1([NH2+]C[C@H](C)CC(C)C)CCN(C(=O)CN2CCCC2)CC1 ZINC001700224944 1413676185 /nfs/dbraw/zinc/67/61/85/1413676185.db2.gz ORBXLKYMGQFIIA-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566287 1428758598 /nfs/dbraw/zinc/75/85/98/1428758598.db2.gz LRVBMHDIBCJIBW-PKOBYXMFSA-N 1 3 349.563 3.029 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001700463765 1414067651 /nfs/dbraw/zinc/06/76/51/1414067651.db2.gz MJVLEVAXTTXDSZ-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001700463765 1414067656 /nfs/dbraw/zinc/06/76/56/1414067656.db2.gz MJVLEVAXTTXDSZ-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CCC1 ZINC001700986719 1414628529 /nfs/dbraw/zinc/62/85/29/1414628529.db2.gz BUGMFXRDYCOCOA-QGZVFWFLSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC(CC)C[NH2+]CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732798415 1428978759 /nfs/dbraw/zinc/97/87/59/1428978759.db2.gz VFVTVUROCNSWQX-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1)N1CCCC1 ZINC001707110890 1417205500 /nfs/dbraw/zinc/20/55/00/1417205500.db2.gz MTINDWMHBLASGD-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001707233709 1417254988 /nfs/dbraw/zinc/25/49/88/1417254988.db2.gz JFDJHINXFQGTTF-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121512 1417687507 /nfs/dbraw/zinc/68/75/07/1417687507.db2.gz LASYHACWBZJZEY-UXHICEINSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713134107 1417711386 /nfs/dbraw/zinc/71/13/86/1417711386.db2.gz HFBKBXAOBOZHHH-SFHVURJKSA-N 1 3 337.552 3.101 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001713134107 1417711387 /nfs/dbraw/zinc/71/13/87/1417711387.db2.gz HFBKBXAOBOZHHH-SFHVURJKSA-N 1 3 337.552 3.101 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713169956 1417743400 /nfs/dbraw/zinc/74/34/00/1417743400.db2.gz PHZSIQRPHVFUOP-PMEOWRCESA-N 1 3 335.536 3.233 10 0 EGAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713275484 1417893448 /nfs/dbraw/zinc/89/34/48/1417893448.db2.gz JIDZQQYEUOILKS-MJGOQNOKSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713275484 1417893452 /nfs/dbraw/zinc/89/34/52/1417893452.db2.gz JIDZQQYEUOILKS-MJGOQNOKSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382162 1417992668 /nfs/dbraw/zinc/99/26/68/1417992668.db2.gz OLRDUEHKXZOSBI-IRXDYDNUSA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001713529528 1418276862 /nfs/dbraw/zinc/27/68/62/1418276862.db2.gz MJZFKODWXWUDPS-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001713529528 1418276871 /nfs/dbraw/zinc/27/68/71/1418276871.db2.gz MJZFKODWXWUDPS-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1cccc(F)c1 ZINC001713551858 1418335415 /nfs/dbraw/zinc/33/54/15/1418335415.db2.gz CIOVHRJIHBXXES-CALCHBBNSA-N 1 3 349.494 3.027 10 0 EGAEHO CCCN(CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)Cc1cccc(F)c1 ZINC001713551858 1418335418 /nfs/dbraw/zinc/33/54/18/1418335418.db2.gz CIOVHRJIHBXXES-CALCHBBNSA-N 1 3 349.494 3.027 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001713563373 1418367425 /nfs/dbraw/zinc/36/74/25/1418367425.db2.gz KATTXNIGJWYHFV-WOJBJXKFSA-N 1 3 345.531 3.084 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001713563373 1418367429 /nfs/dbraw/zinc/36/74/29/1418367429.db2.gz KATTXNIGJWYHFV-WOJBJXKFSA-N 1 3 345.531 3.084 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001714049151 1418847099 /nfs/dbraw/zinc/84/70/99/1418847099.db2.gz UEGHBAJFKRVTLP-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001714049151 1418847103 /nfs/dbraw/zinc/84/71/03/1418847103.db2.gz UEGHBAJFKRVTLP-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)NCc1ccccc1F ZINC001714105634 1418904954 /nfs/dbraw/zinc/90/49/54/1418904954.db2.gz BPOZIVMCIHIAFV-MJGOQNOKSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)NCc1ccccc1F ZINC001714105634 1418904958 /nfs/dbraw/zinc/90/49/58/1418904958.db2.gz BPOZIVMCIHIAFV-MJGOQNOKSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001714106805 1418906766 /nfs/dbraw/zinc/90/67/66/1418906766.db2.gz MBRUHFZTEYLPMM-MOPGFXCFSA-N 1 3 349.494 3.073 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154203 1418962274 /nfs/dbraw/zinc/96/22/74/1418962274.db2.gz RADWBMVFKOGBFZ-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154203 1418962275 /nfs/dbraw/zinc/96/22/75/1418962275.db2.gz RADWBMVFKOGBFZ-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155914 1418965811 /nfs/dbraw/zinc/96/58/11/1418965811.db2.gz LBUSRVGGHKWAPS-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155914 1418965813 /nfs/dbraw/zinc/96/58/13/1418965813.db2.gz LBUSRVGGHKWAPS-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433244 1419166101 /nfs/dbraw/zinc/16/61/01/1419166101.db2.gz BBHFKOGUKMGXPH-ROUUACIJSA-N 1 3 339.568 3.418 10 0 EGAEHO C[C@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001714840668 1419552786 /nfs/dbraw/zinc/55/27/86/1419552786.db2.gz XICWZYDRTNVSOU-FUHWJXTLSA-N 1 3 349.494 3.056 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883900 1419622439 /nfs/dbraw/zinc/62/24/39/1419622439.db2.gz XTKBKBFAMMNBQV-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001714910107 1419655167 /nfs/dbraw/zinc/65/51/67/1419655167.db2.gz SSPTUQMWAODMFR-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001714910107 1419655168 /nfs/dbraw/zinc/65/51/68/1419655168.db2.gz SSPTUQMWAODMFR-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226543 1429353088 /nfs/dbraw/zinc/35/30/88/1429353088.db2.gz OLZZQGLILBSSSK-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226543 1429353097 /nfs/dbraw/zinc/35/30/97/1429353097.db2.gz OLZZQGLILBSSSK-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCN1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226543 1429353099 /nfs/dbraw/zinc/35/30/99/1429353099.db2.gz OLZZQGLILBSSSK-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO CCc1cccc(CN2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001715033065 1419766072 /nfs/dbraw/zinc/76/60/72/1419766072.db2.gz OXQORIIMPVQVBN-FQEVSTJZSA-N 1 3 345.531 3.014 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCCCC2)CC1 ZINC001715165885 1419905638 /nfs/dbraw/zinc/90/56/38/1419905638.db2.gz UGKXDWMAQSHDHQ-FQEVSTJZSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001715188682 1419920824 /nfs/dbraw/zinc/92/08/24/1419920824.db2.gz HUROISMMDJCSHF-BXWFABGCSA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001715210416 1419943621 /nfs/dbraw/zinc/94/36/21/1419943621.db2.gz ODKCUFIHZXIXQA-ROUUACIJSA-N 1 3 339.568 3.371 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001715561774 1420253737 /nfs/dbraw/zinc/25/37/37/1420253737.db2.gz SOWQOWIZPRMXQB-DSQZMVHQSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCC1CCCCC1 ZINC001715592360 1420262780 /nfs/dbraw/zinc/26/27/80/1420262780.db2.gz ZWNVFLNOULCPKW-GOSISDBHSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001715718101 1420310023 /nfs/dbraw/zinc/31/00/23/1420310023.db2.gz YUIXCDXDYJWTAX-JXYKKQOOSA-N 1 3 343.515 3.059 10 0 EGAEHO CC[C@@H]([NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001715884664 1420382792 /nfs/dbraw/zinc/38/27/92/1420382792.db2.gz INKNKHXSNHYAPS-WHXUGTBJSA-N 1 3 343.515 3.132 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001716045629 1420508932 /nfs/dbraw/zinc/50/89/32/1420508932.db2.gz RGKZYSVZVRBDEP-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001716045629 1420508934 /nfs/dbraw/zinc/50/89/34/1420508934.db2.gz RGKZYSVZVRBDEP-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)c1cc(C)ccc1C)N(C)C ZINC001716249770 1420581849 /nfs/dbraw/zinc/58/18/49/1420581849.db2.gz KIZYEDWXHXHDPA-IEBWSBKVSA-N 1 3 333.520 3.143 10 0 EGAEHO C[C@H]([NH2+]C/C=C/CNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001716307285 1420599510 /nfs/dbraw/zinc/59/95/10/1420599510.db2.gz WNWQEYKYNWFDRR-BWPKMQGJSA-N 1 3 349.906 3.147 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001716465817 1420678676 /nfs/dbraw/zinc/67/86/76/1420678676.db2.gz KZEVMHHZZGHBBL-IRXDYDNUSA-N 1 3 341.499 3.335 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509230 1420741241 /nfs/dbraw/zinc/74/12/41/1420741241.db2.gz YUXPSYPBEOHEBH-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001716509230 1420741243 /nfs/dbraw/zinc/74/12/43/1420741243.db2.gz YUXPSYPBEOHEBH-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001716632193 1420791009 /nfs/dbraw/zinc/79/10/09/1420791009.db2.gz WMOCRALSBNRVOJ-XLIONFOSSA-N 1 3 345.531 3.189 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848293 1420975921 /nfs/dbraw/zinc/97/59/21/1420975921.db2.gz ARTMQDUHDTZQDI-RXVVDRJESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848293 1420975924 /nfs/dbraw/zinc/97/59/24/1420975924.db2.gz ARTMQDUHDTZQDI-RXVVDRJESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717162695 1421153011 /nfs/dbraw/zinc/15/30/11/1421153011.db2.gz FKEDFRONMDGXMD-HDICACEKSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)CCCN1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001717270701 1421227821 /nfs/dbraw/zinc/22/78/21/1421227821.db2.gz IDZQPXZWKNAQCV-UHFFFAOYSA-N 1 3 331.504 3.006 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001717292869 1421238699 /nfs/dbraw/zinc/23/86/99/1421238699.db2.gz BXRDTZPGABQSJA-PXNSSMCTSA-N 1 3 345.531 3.235 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001717334097 1421270033 /nfs/dbraw/zinc/27/00/33/1421270033.db2.gz PNDXWQJXYXDGAK-LUNNPTDRSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001717334097 1421270036 /nfs/dbraw/zinc/27/00/36/1421270036.db2.gz PNDXWQJXYXDGAK-LUNNPTDRSA-N 1 3 335.536 3.186 10 0 EGAEHO Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001717339230 1421277161 /nfs/dbraw/zinc/27/71/61/1421277161.db2.gz QTDHULATMCARFY-ICSRJNTNSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001717339230 1421277163 /nfs/dbraw/zinc/27/71/63/1421277163.db2.gz QTDHULATMCARFY-ICSRJNTNSA-N 1 3 345.531 3.113 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001717409576 1421342456 /nfs/dbraw/zinc/34/24/56/1421342456.db2.gz FJWBTYUZDGMNNM-IAGOWNOFSA-N 1 3 335.536 3.234 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)cc1C ZINC001717422376 1421352426 /nfs/dbraw/zinc/35/24/26/1421352426.db2.gz FPZPEDOWJSGTOF-QZTJIDSGSA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001717423424 1421353069 /nfs/dbraw/zinc/35/30/69/1421353069.db2.gz SIQMTXHGBSZJCG-HOTGVXAUSA-N 1 3 349.494 3.013 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001717844935 1421659426 /nfs/dbraw/zinc/65/94/26/1421659426.db2.gz AHRCGYCCYJFWHI-SLFFLAALSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717870068 1421679190 /nfs/dbraw/zinc/67/91/90/1421679190.db2.gz CWJRYPQZXFGQIO-YSKLNCTFSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001733327869 1429513568 /nfs/dbraw/zinc/51/35/68/1429513568.db2.gz MGHRHDOXDOIJGZ-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1)C1CCC1 ZINC001733340766 1429524446 /nfs/dbraw/zinc/52/44/46/1429524446.db2.gz RWWWDIOQQDCDPE-IBGZPJMESA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1)N1CCCC1 ZINC001723546332 1424460266 /nfs/dbraw/zinc/46/02/66/1424460266.db2.gz ZWUUGHZIUOMFRC-UHFFFAOYSA-N 1 3 349.563 3.460 10 0 EGAEHO CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723692406 1424533269 /nfs/dbraw/zinc/53/32/69/1424533269.db2.gz ZPKWOMGWJZCNCI-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723692406 1424533271 /nfs/dbraw/zinc/53/32/71/1424533271.db2.gz ZPKWOMGWJZCNCI-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173010 1424706973 /nfs/dbraw/zinc/70/69/73/1424706973.db2.gz GVIAJEZUXXSEKU-PZJWPPBQSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001724753104 1425122957 /nfs/dbraw/zinc/12/29/57/1425122957.db2.gz XWKCPIPUBXYEQC-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC)CC1 ZINC001724863285 1425246063 /nfs/dbraw/zinc/24/60/63/1425246063.db2.gz PAVZIBSMMXOSTL-KDURUIRLSA-N 1 3 335.536 3.116 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001724895607 1425286914 /nfs/dbraw/zinc/28/69/14/1425286914.db2.gz NPQMKCUICGNYFX-CTNGQTDRSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001724895607 1425286920 /nfs/dbraw/zinc/28/69/20/1425286920.db2.gz NPQMKCUICGNYFX-CTNGQTDRSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001725066430 1425507652 /nfs/dbraw/zinc/50/76/52/1425507652.db2.gz WHTAKWISWSWPSW-SOAGJPPSSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001725105616 1425555448 /nfs/dbraw/zinc/55/54/48/1425555448.db2.gz GTRBNMREJPSGEU-HOTGVXAUSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N(C)Cc1ccc(F)cc1 ZINC001725191410 1425736270 /nfs/dbraw/zinc/73/62/70/1425736270.db2.gz UYLFGJFFQVETOI-IAGOWNOFSA-N 1 3 349.494 3.027 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468633 1426137741 /nfs/dbraw/zinc/13/77/41/1426137741.db2.gz LHNHUWJVFPCQSI-APWZRJJASA-N 1 3 349.494 3.075 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625402 1426292520 /nfs/dbraw/zinc/29/25/20/1426292520.db2.gz COEUINOJJGTWJU-RTBURBONSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001725771382 1426455538 /nfs/dbraw/zinc/45/55/38/1426455538.db2.gz NLVVTVBUWPJUKL-SFHVURJKSA-N 1 3 345.531 3.054 10 0 EGAEHO CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001725787099 1426472642 /nfs/dbraw/zinc/47/26/42/1426472642.db2.gz QOYXQCPHXIMPMO-VOTSOKGWSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423809 1427403518 /nfs/dbraw/zinc/40/35/18/1427403518.db2.gz CCCOXMXQOQMWSE-RTBURBONSA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423809 1427403520 /nfs/dbraw/zinc/40/35/20/1427403520.db2.gz CCCOXMXQOQMWSE-RTBURBONSA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001731506587 1427493372 /nfs/dbraw/zinc/49/33/72/1427493372.db2.gz FMYQVVDBZIHVLS-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001731506587 1427493373 /nfs/dbraw/zinc/49/33/73/1427493373.db2.gz FMYQVVDBZIHVLS-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001731679643 1427727926 /nfs/dbraw/zinc/72/79/26/1427727926.db2.gz MTAWPLXJYFSHKD-RBUKOAKNSA-N 1 3 345.531 3.144 10 0 EGAEHO CCC(CC)C[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001733867554 1437694631 /nfs/dbraw/zinc/69/46/31/1437694631.db2.gz CPNPJDDKXNTCFF-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001734092479 1437876709 /nfs/dbraw/zinc/87/67/09/1437876709.db2.gz NCQPOFFKSYGARM-UHFFFAOYSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC001734308926 1438040353 /nfs/dbraw/zinc/04/03/53/1438040353.db2.gz PMOIFFGAVLEZMS-KXBFYZLASA-N 1 3 349.494 3.054 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494738 1438131864 /nfs/dbraw/zinc/13/18/64/1438131864.db2.gz BXYPTLZICAXDFY-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc(F)c1 ZINC000268820335 252270962 /nfs/dbraw/zinc/27/09/62/252270962.db2.gz RUJTZZJLOULWSX-CZAAIQMYSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cccc(F)c1 ZINC000268820335 252270964 /nfs/dbraw/zinc/27/09/64/252270964.db2.gz RUJTZZJLOULWSX-CZAAIQMYSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000337412102 154340633 /nfs/dbraw/zinc/34/06/33/154340633.db2.gz XIXFMCQBOTVPEJ-NRSPTQNISA-N 1 3 328.500 3.312 10 0 EGAEHO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028797 161904085 /nfs/dbraw/zinc/90/40/85/161904085.db2.gz ZZBYPCZHYHZYNR-QGZVFWFLSA-N 1 3 331.504 3.036 10 0 EGAEHO c1cn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000248406293 163002054 /nfs/dbraw/zinc/00/20/54/163002054.db2.gz SFPINVGBBLVFFH-PCCBWWKXSA-N 1 3 338.499 3.164 10 0 EGAEHO CCCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000248887684 163043069 /nfs/dbraw/zinc/04/30/69/163043069.db2.gz VENSOCLBRHWLJY-HKUYNNGSSA-N 1 3 331.504 3.017 10 0 EGAEHO C[C@@H](c1cccc(Cl)c1F)N(C)CCCN(C)CC[NH+](C)C ZINC000344069254 164096582 /nfs/dbraw/zinc/09/65/82/164096582.db2.gz QPQUJFWIYKUFNT-AWEZNQCLSA-N 1 3 329.891 3.355 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(OC)C2)CC1 ZINC000355197817 166130523 /nfs/dbraw/zinc/13/05/23/166130523.db2.gz JOGFGRKFBYGRNA-OAQYLSRUSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(OC)C2)CC1 ZINC000355197817 166130525 /nfs/dbraw/zinc/13/05/25/166130525.db2.gz JOGFGRKFBYGRNA-OAQYLSRUSA-N 1 3 345.531 3.220 10 0 EGAEHO c1cc(-c2ccc(C[NH2+]CC3CCN(c4ccncc4)CC3)o2)n[nH]1 ZINC000366857391 168148961 /nfs/dbraw/zinc/14/89/61/168148961.db2.gz WTGJIDUHWCLFBP-UHFFFAOYSA-N 1 3 337.427 3.071 10 0 EGAEHO CC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000289631659 276369138 /nfs/dbraw/zinc/36/91/38/276369138.db2.gz LZIQOKUSLPMDDT-HXUWFJFHSA-N 1 3 327.516 3.069 10 0 EGAEHO CC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000289631659 276369140 /nfs/dbraw/zinc/36/91/40/276369140.db2.gz LZIQOKUSLPMDDT-HXUWFJFHSA-N 1 3 327.516 3.069 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488151 278355350 /nfs/dbraw/zinc/35/53/50/278355350.db2.gz MHFLHDCYTXKBQJ-XLIONFOSSA-N 1 3 328.500 3.303 10 0 EGAEHO Cc1cccc([C@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000119613438 281254178 /nfs/dbraw/zinc/25/41/78/281254178.db2.gz PUOFLBIMMXZBAX-YBVXAUJNSA-N 1 3 327.516 3.299 10 0 EGAEHO Cc1cccc([C@H](C)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000119613438 281254181 /nfs/dbraw/zinc/25/41/81/281254181.db2.gz PUOFLBIMMXZBAX-YBVXAUJNSA-N 1 3 327.516 3.299 10 0 EGAEHO CCOc1c(OC)cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414810874 309103099 /nfs/dbraw/zinc/10/30/99/309103099.db2.gz OXDODVWAXABYPS-AWEZNQCLSA-N 1 3 344.455 3.412 10 0 EGAEHO CCCOc1ccc(Br)cc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414824912 309103944 /nfs/dbraw/zinc/10/39/44/309103944.db2.gz BLMGZJQZVBKWSX-ZDUSSCGKSA-N 1 3 341.293 3.327 10 0 EGAEHO Fc1ccc(Br)c(F)c1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414850636 309105520 /nfs/dbraw/zinc/10/55/20/309105520.db2.gz ZNTVLOQKOHKKIO-JTQLQIEISA-N 1 3 333.220 3.207 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414945388 309110621 /nfs/dbraw/zinc/11/06/21/309110621.db2.gz RKZOSMMISGKMBD-SCRDCRAPSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414945388 309110622 /nfs/dbraw/zinc/11/06/22/309110622.db2.gz RKZOSMMISGKMBD-SCRDCRAPSA-N 1 3 343.393 3.010 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415118042 309121512 /nfs/dbraw/zinc/12/15/12/309121512.db2.gz DNJOYILEMIWPET-AZUAARDMSA-N 1 3 332.488 3.030 10 0 EGAEHO FC(F)CN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377364 309203631 /nfs/dbraw/zinc/20/36/31/309203631.db2.gz CXQNWDPTAJXTBG-CADBVGFASA-N 1 3 349.469 3.111 10 0 EGAEHO FC(F)CN1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417377364 309203632 /nfs/dbraw/zinc/20/36/32/309203632.db2.gz CXQNWDPTAJXTBG-CADBVGFASA-N 1 3 349.469 3.111 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417528157 309209509 /nfs/dbraw/zinc/20/95/09/309209509.db2.gz FBBSHAWOKJBNFQ-LMMKCTJWSA-N 1 3 346.519 3.029 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN(C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369819 309284506 /nfs/dbraw/zinc/28/45/06/309284506.db2.gz JASUVVIQBIQINH-RRMPHLOHSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369819 309284507 /nfs/dbraw/zinc/28/45/07/309284507.db2.gz JASUVVIQBIQINH-RRMPHLOHSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1ccc([C@H](CN)C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369819 309284508 /nfs/dbraw/zinc/28/45/08/309284508.db2.gz JASUVVIQBIQINH-RRMPHLOHSA-N 1 3 340.467 3.062 10 0 EGAEHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422703099 309363764 /nfs/dbraw/zinc/36/37/64/309363764.db2.gz HAMVHYOADVYECS-NASSWSRMSA-N 1 3 343.515 3.174 10 0 EGAEHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422753840 309366651 /nfs/dbraw/zinc/36/66/51/309366651.db2.gz FERRIGFIZCBKMA-IPMKNSEASA-N 1 3 332.488 3.147 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422760606 309366972 /nfs/dbraw/zinc/36/69/72/309366972.db2.gz MCCCXIZMUKKFDH-GFCCVEGCSA-N 1 3 326.419 3.362 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422876108 309373369 /nfs/dbraw/zinc/37/33/69/309373369.db2.gz PUSWFMABSJUSJV-WJFTUGDTSA-N 1 3 343.515 3.174 10 0 EGAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000422930681 309376548 /nfs/dbraw/zinc/37/65/48/309376548.db2.gz VLZBZCZTYXFFDE-YLJYHZDGSA-N 1 3 343.515 3.192 10 0 EGAEHO c1ccc(C2(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104607 309386137 /nfs/dbraw/zinc/38/61/37/309386137.db2.gz HMNCWBTWCRKKHS-PGRDOPGGSA-N 1 3 349.478 3.349 10 0 EGAEHO c1ccc(C2(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104608 309386179 /nfs/dbraw/zinc/38/61/79/309386179.db2.gz HMNCWBTWCRKKHS-XMSQKQJNSA-N 1 3 349.478 3.349 10 0 EGAEHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCCC[NH3+] ZINC000423181633 309389346 /nfs/dbraw/zinc/38/93/46/309389346.db2.gz GHURNJHIMCGIEA-SECBINFHSA-N 1 3 337.773 3.014 10 0 EGAEHO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCN ZINC000423181633 309389347 /nfs/dbraw/zinc/38/93/47/309389347.db2.gz GHURNJHIMCGIEA-SECBINFHSA-N 1 3 337.773 3.014 10 0 EGAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423363226 309397060 /nfs/dbraw/zinc/39/70/60/309397060.db2.gz BPFODKOKCCONMV-JLZZUVOBSA-N 1 3 337.305 3.358 10 0 EGAEHO CN1CCC(O)(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447545233 309981746 /nfs/dbraw/zinc/98/17/46/309981746.db2.gz WUPMAOYGCRDKCP-FQEVSTJZSA-N 1 3 342.458 3.156 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000449071988 310034712 /nfs/dbraw/zinc/03/47/12/310034712.db2.gz CZRVZQDRAIUNCR-ICSRJNTNSA-N 1 3 341.543 3.156 10 0 EGAEHO CCC(CC)[C@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449154059 310040828 /nfs/dbraw/zinc/04/08/28/310040828.db2.gz GZWSREFFKVGDHN-LAUBAEHRSA-N 1 3 332.532 3.469 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2(N(C)C)CCC2)CC1 ZINC000449262562 310048405 /nfs/dbraw/zinc/04/84/05/310048405.db2.gz DNJOHDWKQUQSMH-GOSISDBHSA-N 1 3 329.532 3.156 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000449493590 310066586 /nfs/dbraw/zinc/06/65/86/310066586.db2.gz FDYDOMOVMGUPEF-NQIIRXRSSA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000449493590 310066587 /nfs/dbraw/zinc/06/65/87/310066587.db2.gz FDYDOMOVMGUPEF-NQIIRXRSSA-N 1 3 345.531 3.075 10 0 EGAEHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453197046 310263572 /nfs/dbraw/zinc/26/35/72/310263572.db2.gz MTZKHZPQQXRZTO-INIZCTEOSA-N 1 3 326.488 3.470 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000456732142 310420357 /nfs/dbraw/zinc/42/03/57/310420357.db2.gz VIQKUDPXGWJYPF-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000495175906 311540319 /nfs/dbraw/zinc/54/03/19/311540319.db2.gz VOXIEZVMNRLUDK-LJQANCHMSA-N 1 3 345.531 3.266 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000516464913 312324593 /nfs/dbraw/zinc/32/45/93/312324593.db2.gz GXLNNNKEJSGOPJ-PMACEKPBSA-N 1 3 339.483 3.220 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000516464913 312324594 /nfs/dbraw/zinc/32/45/94/312324594.db2.gz GXLNNNKEJSGOPJ-PMACEKPBSA-N 1 3 339.483 3.220 10 0 EGAEHO CCc1cc(N2CCC(C)(N3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000528189778 313036238 /nfs/dbraw/zinc/03/62/38/313036238.db2.gz OHBFCYXYCOIYQF-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000552040961 315191882 /nfs/dbraw/zinc/19/18/82/315191882.db2.gz PHNTXZQNGJDZEL-IPMKNSEASA-N 1 3 329.488 3.388 10 0 EGAEHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000552899102 315237050 /nfs/dbraw/zinc/23/70/50/315237050.db2.gz LPVBNOHUJIXQIB-OKZBNKHCSA-N 1 3 334.504 3.105 10 0 EGAEHO CC(C)C[C@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)NCC[NH+](C)C ZINC000553912158 315288299 /nfs/dbraw/zinc/28/82/99/315288299.db2.gz GRQIWMRNNVYIBZ-STQMWFEESA-N 1 3 345.940 3.145 10 0 EGAEHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000555350130 315380677 /nfs/dbraw/zinc/38/06/77/315380677.db2.gz NIJJQVGRWDAWLU-FQEVSTJZSA-N 1 3 343.515 3.229 10 0 EGAEHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000555350130 315380680 /nfs/dbraw/zinc/38/06/80/315380680.db2.gz NIJJQVGRWDAWLU-FQEVSTJZSA-N 1 3 343.515 3.229 10 0 EGAEHO Fc1cccc(-c2cnc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407976 317196246 /nfs/dbraw/zinc/19/62/46/317196246.db2.gz OCALOOHOPJXDDE-JKSUJKDBSA-N 1 3 329.419 3.302 10 0 EGAEHO NCc1cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625482 324995447 /nfs/dbraw/zinc/99/54/47/324995447.db2.gz ZIALZMRKCWNGKB-GJZGRUSLSA-N 1 3 343.393 3.400 10 0 EGAEHO COc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1OC ZINC000581005742 325320123 /nfs/dbraw/zinc/32/01/23/325320123.db2.gz HSPGNPUMRSVNMT-KZNAEPCWSA-N 1 3 332.488 3.147 10 0 EGAEHO CN1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000623477849 460570340 /nfs/dbraw/zinc/57/03/40/460570340.db2.gz ULXLXQAMISBJPO-JCGIZDLHSA-N 1 3 337.458 3.172 10 0 EGAEHO Cc1cc2c(c(-c3ccc(CN4CCCCC4)cn3)c1)O[C@@H](C[NH3+])C2 ZINC000067688339 453958001 /nfs/dbraw/zinc/95/80/01/453958001.db2.gz GKOPASVSBHZGTJ-GOSISDBHSA-N 1 3 337.467 3.305 10 0 EGAEHO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)N1[C@H](C)CC[C@@H]1C ZINC000101634993 454477782 /nfs/dbraw/zinc/47/77/82/454477782.db2.gz BOZVDSIUXIKTPO-BBWFWOEESA-N 1 3 329.488 3.482 10 0 EGAEHO C[C@H]1CCCCN1CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000156610737 455137921 /nfs/dbraw/zinc/13/79/21/455137921.db2.gz WZRKIDLUFQQLIT-IBGZPJMESA-N 1 3 329.532 3.158 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1)C(C)C ZINC000247508739 455614180 /nfs/dbraw/zinc/61/41/80/455614180.db2.gz VRAUUTCHVUVRDW-YLJYHZDGSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1)C(C)C ZINC000247508739 455614183 /nfs/dbraw/zinc/61/41/83/455614183.db2.gz VRAUUTCHVUVRDW-YLJYHZDGSA-N 1 3 343.515 3.226 10 0 EGAEHO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192800001 455696091 /nfs/dbraw/zinc/69/60/91/455696091.db2.gz SWYGLVNCQYQRHX-KRWDZBQOSA-N 1 3 349.567 3.013 10 0 EGAEHO Cc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248391920 455711919 /nfs/dbraw/zinc/71/19/19/455711919.db2.gz COEHJCVXCRJKTG-NJDAHSKKSA-N 1 3 338.499 3.082 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000249484681 455757473 /nfs/dbraw/zinc/75/74/73/455757473.db2.gz UDGWEJPXQNOFDL-ZBFHGGJFSA-N 1 3 336.442 3.276 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000249484681 455757477 /nfs/dbraw/zinc/75/74/77/455757477.db2.gz UDGWEJPXQNOFDL-ZBFHGGJFSA-N 1 3 336.442 3.276 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000617008097 460703916 /nfs/dbraw/zinc/70/39/16/460703916.db2.gz BGZMCWBXURDDQY-GOSISDBHSA-N 1 3 331.504 3.131 10 0 EGAEHO Fc1ccc(-c2c[nH]c([C@@H]3CCCN3CC3CC[NH2+]CC3)n2)cc1 ZINC000262149943 456004755 /nfs/dbraw/zinc/00/47/55/456004755.db2.gz FWZVKBDVGHCMBN-SFHVURJKSA-N 1 3 328.435 3.352 10 0 EGAEHO CCOc1c(OC)cc(C[NH2+]C2CCN(C3CCC3)CC2)cc1OC ZINC000263655659 456184237 /nfs/dbraw/zinc/18/42/37/456184237.db2.gz FSKMGFWPCLMAIC-UHFFFAOYSA-N 1 3 348.487 3.209 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000290027054 456219655 /nfs/dbraw/zinc/21/96/55/456219655.db2.gz NBWLBRGHXDCCBE-XLIONFOSSA-N 1 3 334.504 3.012 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000290027054 456219661 /nfs/dbraw/zinc/21/96/61/456219661.db2.gz NBWLBRGHXDCCBE-XLIONFOSSA-N 1 3 334.504 3.012 10 0 EGAEHO c1ccc(CC[NH+]2CCC(NCCOCC3CCCC3)CC2)cc1 ZINC000313248568 456597447 /nfs/dbraw/zinc/59/74/47/456597447.db2.gz BTWFTFURQMGPLA-UHFFFAOYSA-N 1 3 330.516 3.490 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@H]2CCC[C@H]21 ZINC000353410912 456683555 /nfs/dbraw/zinc/68/35/55/456683555.db2.gz XRVMZAFIUNAHNP-FRRDWIJNSA-N 1 3 329.307 3.473 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1c(F)cccc1F ZINC000353511351 456725151 /nfs/dbraw/zinc/72/51/51/456725151.db2.gz AZGUDTQFQZXPMC-BNEJOLLZSA-N 1 3 337.458 3.030 10 0 EGAEHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000356849523 457183589 /nfs/dbraw/zinc/18/35/89/457183589.db2.gz PRQNZINAWMEHGV-AWEZNQCLSA-N 1 3 347.894 3.303 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000354404097 457200806 /nfs/dbraw/zinc/20/08/06/457200806.db2.gz MOLBXWIEYXOGTJ-UXHICEINSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000354404097 457200816 /nfs/dbraw/zinc/20/08/16/457200816.db2.gz MOLBXWIEYXOGTJ-UXHICEINSA-N 1 3 343.515 3.032 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352448174 457375308 /nfs/dbraw/zinc/37/53/08/457375308.db2.gz FKHREPNBKJILQX-QGZVFWFLSA-N 1 3 326.488 3.297 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352448174 457375320 /nfs/dbraw/zinc/37/53/20/457375320.db2.gz FKHREPNBKJILQX-QGZVFWFLSA-N 1 3 326.488 3.297 10 0 EGAEHO CC(C)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352448174 457375327 /nfs/dbraw/zinc/37/53/27/457375327.db2.gz FKHREPNBKJILQX-QGZVFWFLSA-N 1 3 326.488 3.297 10 0 EGAEHO c1ccc(COC[C@@H]2CC[N@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000384175605 457426741 /nfs/dbraw/zinc/42/67/41/457426741.db2.gz YRKYANWBSJBJEO-LJQANCHMSA-N 1 3 336.479 3.371 10 0 EGAEHO c1ccc(COC[C@@H]2CC[N@@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000384175605 457426746 /nfs/dbraw/zinc/42/67/46/457426746.db2.gz YRKYANWBSJBJEO-LJQANCHMSA-N 1 3 336.479 3.371 10 0 EGAEHO C[C@@H]1C[C@H](C)N(CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000397340087 457486920 /nfs/dbraw/zinc/48/69/20/457486920.db2.gz VIXOZUJHURYMGF-RDBSUJKOSA-N 1 3 334.489 3.036 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397636994 457490354 /nfs/dbraw/zinc/49/03/54/457490354.db2.gz QLBQLPOBZBRJLC-UHFFFAOYSA-N 1 3 338.495 3.420 10 0 EGAEHO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000433381657 457826619 /nfs/dbraw/zinc/82/66/19/457826619.db2.gz KZTKQMHESTYBIP-LJQANCHMSA-N 1 3 335.536 3.022 10 0 EGAEHO CN1CCC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)[C@@H]1c1cccs1 ZINC000459439469 458370794 /nfs/dbraw/zinc/37/07/94/458370794.db2.gz TZTXAXCOOOEXNW-HNAYVOBHSA-N 1 3 333.545 3.347 10 0 EGAEHO Cc1ccc([C@@H](Cn2ccnc2)NC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000459442694 458372293 /nfs/dbraw/zinc/37/22/93/458372293.db2.gz CSYLZKOHIDKQKT-OAQYLSRUSA-N 1 3 338.499 3.458 10 0 EGAEHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)[C@H](C)N ZINC000423452682 458435665 /nfs/dbraw/zinc/43/56/65/458435665.db2.gz WOHMAZKTXOQINY-XHSDSOJGSA-N 1 3 338.455 3.300 10 0 EGAEHO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000377799639 458532797 /nfs/dbraw/zinc/53/27/97/458532797.db2.gz XFRXRLBESGPWPQ-OKYOBFRVSA-N 1 3 336.483 3.052 10 0 EGAEHO c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C2 ZINC000377799639 458532800 /nfs/dbraw/zinc/53/28/00/458532800.db2.gz XFRXRLBESGPWPQ-OKYOBFRVSA-N 1 3 336.483 3.052 10 0 EGAEHO CC(C)Oc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240381 458727304 /nfs/dbraw/zinc/72/73/04/458727304.db2.gz LIAKYRPNNBDTSO-IBGZPJMESA-N 1 3 332.488 3.064 10 0 EGAEHO CC(C)N1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000566482152 458947335 /nfs/dbraw/zinc/94/73/35/458947335.db2.gz MMFBYRKSFZVOCM-QGWWYQLQSA-N 1 3 337.458 3.348 10 0 EGAEHO C[C@H]([NH2+]C1(CN[C@@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812913 459098120 /nfs/dbraw/zinc/09/81/20/459098120.db2.gz AWNRUORZZJAXQN-FUHWJXTLSA-N 1 3 343.515 3.297 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000480265709 459190250 /nfs/dbraw/zinc/19/02/50/459190250.db2.gz NSEAXRXTXQLOKW-PZJWPPBQSA-N 1 3 329.532 3.363 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCN(C)C2)CC1 ZINC000569434404 459449618 /nfs/dbraw/zinc/44/96/18/459449618.db2.gz JXRGTZDPTKHMSZ-UYAOXDASSA-N 1 3 329.532 3.013 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380941 459529027 /nfs/dbraw/zinc/52/90/27/459529027.db2.gz NTZIASFJKJQXDH-WOJBJXKFSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000623063773 460401113 /nfs/dbraw/zinc/40/11/13/460401113.db2.gz LHGDANYVJLNLRS-AWEZNQCLSA-N 1 3 326.444 3.090 10 0 EGAEHO CCC[NH+]1CCC(CNCc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623402811 460531231 /nfs/dbraw/zinc/53/12/31/460531231.db2.gz AKZSJKXUGDVEJZ-UHFFFAOYSA-N 1 3 325.447 3.242 10 0 EGAEHO Cn1ccnc1C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435424 460547731 /nfs/dbraw/zinc/54/77/31/460547731.db2.gz DOSLMWMRBDIZGJ-ROUUACIJSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435424 460547734 /nfs/dbraw/zinc/54/77/34/460547734.db2.gz DOSLMWMRBDIZGJ-ROUUACIJSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623435424 460547736 /nfs/dbraw/zinc/54/77/36/460547736.db2.gz DOSLMWMRBDIZGJ-ROUUACIJSA-N 1 3 326.488 3.166 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623875125 460756862 /nfs/dbraw/zinc/75/68/62/460756862.db2.gz YNSXLPSWUVHHBC-CTNGQTDRSA-N 1 3 345.531 3.136 10 0 EGAEHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCOCCC[NH3+] ZINC000629542482 460801539 /nfs/dbraw/zinc/80/15/39/460801539.db2.gz YYDHOFZOBLOWNJ-LBPRGKRZSA-N 1 3 337.464 3.274 10 0 EGAEHO Cc1ccc(COc2ccc(C[NH2+]CC3(N)CCOCC3)cc2)cc1 ZINC000629654623 460849381 /nfs/dbraw/zinc/84/93/81/460849381.db2.gz NVVPMQLNGYDKGC-UHFFFAOYSA-N 1 3 340.467 3.172 10 0 EGAEHO Cc1cccc(C)c1OCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363785 461157823 /nfs/dbraw/zinc/15/78/23/461157823.db2.gz NLEOOFIYVOJKFB-GUDVDZBRSA-N 1 3 332.488 3.043 10 0 EGAEHO c1ccc(C[C@H]2c3ccccc3CC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662279514 461162160 /nfs/dbraw/zinc/16/21/60/461162160.db2.gz KUANLRCBOXZTHJ-UNMCSNQZSA-N 1 3 348.490 3.350 10 0 EGAEHO c1ccc(C[C@H]2c3ccccc3CC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662279514 461162177 /nfs/dbraw/zinc/16/21/77/461162177.db2.gz KUANLRCBOXZTHJ-UNMCSNQZSA-N 1 3 348.490 3.350 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000646697064 461374451 /nfs/dbraw/zinc/37/44/51/461374451.db2.gz SSXRTFGVIZKFNF-CEXWTWQISA-N 1 3 331.504 3.224 10 0 EGAEHO CC(C)C[C@@H](CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740725 461410148 /nfs/dbraw/zinc/41/01/48/461410148.db2.gz WTEAROBIIRZVFJ-PZJWPPBQSA-N 1 3 330.516 3.347 10 0 EGAEHO CC(C)C[C@@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740725 461410154 /nfs/dbraw/zinc/41/01/54/461410154.db2.gz WTEAROBIIRZVFJ-PZJWPPBQSA-N 1 3 330.516 3.347 10 0 EGAEHO COc1ccc([C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000655803215 461463461 /nfs/dbraw/zinc/46/34/61/461463461.db2.gz NMZMNDGOLVZEON-VPWXQRGCSA-N 1 3 325.456 3.109 10 0 EGAEHO C[NH+]1CCC(N2CC[C@@H](NCc3oc4ccccc4c3Cl)C2)CC1 ZINC000631070446 461522120 /nfs/dbraw/zinc/52/21/20/461522120.db2.gz YSFKDKJAOBPMAG-CQSZACIVSA-N 1 3 347.890 3.344 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCCc2c(F)cccc2F)C1 ZINC000655941817 461547945 /nfs/dbraw/zinc/54/79/45/461547945.db2.gz DGXPIBPCUKSPJP-MDASCCDHSA-N 1 3 338.442 3.258 10 0 EGAEHO Cc1ccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663503113 461676087 /nfs/dbraw/zinc/67/60/87/461676087.db2.gz OBJGXFZWJPQCBM-CZUORRHYSA-N 1 3 325.884 3.329 10 0 EGAEHO Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479367 461724933 /nfs/dbraw/zinc/72/49/33/461724933.db2.gz DMJFOLVUZJNDBC-RXVVDRJESA-N 1 3 338.499 3.360 10 0 EGAEHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000669691878 461768765 /nfs/dbraw/zinc/76/87/65/461768765.db2.gz WANVKBVWSZTWPC-GOSISDBHSA-N 1 3 333.520 3.152 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(OCC3CC3)cc2)C1 ZINC000650723483 461913974 /nfs/dbraw/zinc/91/39/74/461913974.db2.gz OXWLDUGRKJIQPR-HMXCVIKNSA-N 1 3 344.499 3.336 10 0 EGAEHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2c(C(F)(F)F)cnn2C)C1 ZINC000657313851 462037705 /nfs/dbraw/zinc/03/77/05/462037705.db2.gz VXUAVOAIDCGJFD-KBPBESRZSA-N 1 3 346.441 3.287 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CO1 ZINC000657432632 462119129 /nfs/dbraw/zinc/11/91/29/462119129.db2.gz ULYALDYMJDUPKS-WRTQPQOASA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657432632 462119132 /nfs/dbraw/zinc/11/91/32/462119132.db2.gz ULYALDYMJDUPKS-WRTQPQOASA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657432632 462119139 /nfs/dbraw/zinc/11/91/39/462119139.db2.gz ULYALDYMJDUPKS-WRTQPQOASA-N 1 3 328.500 3.444 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000657596498 462196901 /nfs/dbraw/zinc/19/69/01/462196901.db2.gz XATKFMQKTWLRKO-OAQYLSRUSA-N 1 3 338.495 3.468 10 0 EGAEHO Cc1cc(C)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000657596498 462196907 /nfs/dbraw/zinc/19/69/07/462196907.db2.gz XATKFMQKTWLRKO-OAQYLSRUSA-N 1 3 338.495 3.468 10 0 EGAEHO NCc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000667732993 462236573 /nfs/dbraw/zinc/23/65/73/462236573.db2.gz ZDMFGBCZIULOPV-UHFFFAOYSA-N 1 3 338.455 3.063 10 0 EGAEHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667789112 462262722 /nfs/dbraw/zinc/26/27/22/462262722.db2.gz FGHKUJUPNWQMTM-ICSRJNTNSA-N 1 3 332.488 3.064 10 0 EGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C(C)(C)C(F)F ZINC000657891708 462309700 /nfs/dbraw/zinc/30/97/00/462309700.db2.gz ILTUFCALBVLJTM-OAHLLOKOSA-N 1 3 331.495 3.206 10 0 EGAEHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc2cnccc2o1 ZINC000657924570 462319748 /nfs/dbraw/zinc/31/97/48/462319748.db2.gz BZDWGXLUKZNAHG-JCGIZDLHSA-N 1 3 343.471 3.246 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972934 462354934 /nfs/dbraw/zinc/35/49/34/462354934.db2.gz CFEGRIWUZOLTIL-WHZJULEDSA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972934 462354941 /nfs/dbraw/zinc/35/49/41/462354941.db2.gz CFEGRIWUZOLTIL-WHZJULEDSA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972934 462354948 /nfs/dbraw/zinc/35/49/48/462354948.db2.gz CFEGRIWUZOLTIL-WHZJULEDSA-N 1 3 326.484 3.054 10 0 EGAEHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCC[C@H](OC)C2)cc1 ZINC000665255689 462372187 /nfs/dbraw/zinc/37/21/87/462372187.db2.gz ZLPSEPIXEZBKSX-LEAZDLGRSA-N 1 3 332.488 3.078 10 0 EGAEHO C[C@@H]1C[C@@H](NC2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103313 462385423 /nfs/dbraw/zinc/38/54/23/462385423.db2.gz USSYWJBYEMOOOW-JYPHPWERSA-N 1 3 339.487 3.317 10 0 EGAEHO C[C@@H]1C[C@@H](NC2CCC([N@@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103313 462385426 /nfs/dbraw/zinc/38/54/26/462385426.db2.gz USSYWJBYEMOOOW-JYPHPWERSA-N 1 3 339.487 3.317 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144520 462407476 /nfs/dbraw/zinc/40/74/76/462407476.db2.gz MMQSJUBTLZCPDZ-YWZLYKJASA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144520 462407482 /nfs/dbraw/zinc/40/74/82/462407482.db2.gz MMQSJUBTLZCPDZ-YWZLYKJASA-N 1 3 328.431 3.243 10 0 EGAEHO c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000459784545 547943898 /nfs/dbraw/zinc/94/38/98/547943898.db2.gz AFBLIDXYPTZXIC-XSLAGTTESA-N 1 3 332.538 3.066 10 0 EGAEHO c1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)ccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000459784545 547943901 /nfs/dbraw/zinc/94/39/01/547943901.db2.gz AFBLIDXYPTZXIC-XSLAGTTESA-N 1 3 332.538 3.066 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H]2CCC[C@@H]21 ZINC000671746449 548351144 /nfs/dbraw/zinc/35/11/44/548351144.db2.gz MRQPIXIVFPZOBQ-LMSBXDPUSA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H]2CCC[C@@H]21 ZINC000671746449 548351146 /nfs/dbraw/zinc/35/11/46/548351146.db2.gz MRQPIXIVFPZOBQ-LMSBXDPUSA-N 1 3 335.442 3.006 10 0 EGAEHO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000678079676 549391798 /nfs/dbraw/zinc/39/17/98/549391798.db2.gz VMNSKGWBCIGYET-IEBWSBKVSA-N 1 3 327.516 3.386 10 0 EGAEHO CC[N@@H+]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)[C@@H](C)C1 ZINC000221870805 564036530 /nfs/dbraw/zinc/03/65/30/564036530.db2.gz XEUIBHBBSPOBQM-FXAWDEMLSA-N 1 3 345.531 3.033 10 0 EGAEHO CC[N@H+]1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)[C@@H](C)C1 ZINC000221870805 564036531 /nfs/dbraw/zinc/03/65/31/564036531.db2.gz XEUIBHBBSPOBQM-FXAWDEMLSA-N 1 3 345.531 3.033 10 0 EGAEHO CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OC ZINC000075780827 1292410976 /nfs/dbraw/zinc/41/09/76/1292410976.db2.gz FKCCHKUXMMFKNV-ZDUSSCGKSA-N 1 3 338.879 3.321 10 0 EGAEHO c1c(C[NH2+]CC[C@@H]2CCc3ccccc3N2)sc2c1CNCC2 ZINC000873213516 1297356257 /nfs/dbraw/zinc/35/62/57/1297356257.db2.gz GALCDVJTYKIGPO-INIZCTEOSA-N 1 3 327.497 3.300 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000382730306 1297562771 /nfs/dbraw/zinc/56/27/71/1297562771.db2.gz AAGZYBXQFSUJTM-SFHVURJKSA-N 1 3 335.495 3.039 10 0 EGAEHO C[C@H]1CCOCCN1CC(C[N@@H+]1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373487 1299954287 /nfs/dbraw/zinc/95/42/87/1299954287.db2.gz MMAZKFHSHGDEMV-ROUUACIJSA-N 1 3 338.536 3.014 10 0 EGAEHO C[C@H]1CCOCCN1CC(C[N@H+]1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373487 1299954298 /nfs/dbraw/zinc/95/42/98/1299954298.db2.gz MMAZKFHSHGDEMV-ROUUACIJSA-N 1 3 338.536 3.014 10 0 EGAEHO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526094 1303486736 /nfs/dbraw/zinc/48/67/36/1303486736.db2.gz FDCDPLKFHRWVAD-MQBSTWLZSA-N 1 3 330.516 3.426 10 0 EGAEHO CCCC[N@H+](C[C@@H](OC)[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034349 1329033882 /nfs/dbraw/zinc/03/38/82/1329033882.db2.gz ROYAKBUCUNDAAF-FUHWJXTLSA-N 1 3 340.552 3.449 10 0 EGAEHO CCCC[N@@H+](C[C@@H](OC)[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034349 1329033885 /nfs/dbraw/zinc/03/38/85/1329033885.db2.gz ROYAKBUCUNDAAF-FUHWJXTLSA-N 1 3 340.552 3.449 10 0 EGAEHO O[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329805 1322734923 /nfs/dbraw/zinc/73/49/23/1322734923.db2.gz YTFBVVABRLJKOU-BHDDXSALSA-N 1 3 338.495 3.207 10 0 EGAEHO C[C@]12CN(CCCn3ccnc3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931217389 1329072869 /nfs/dbraw/zinc/07/28/69/1329072869.db2.gz ORRPEROLXJOMSU-OYRHEFFESA-N 1 3 338.499 3.117 10 0 EGAEHO C[C@]12CN(CCCn3ccnc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931217389 1329072875 /nfs/dbraw/zinc/07/28/75/1329072875.db2.gz ORRPEROLXJOMSU-OYRHEFFESA-N 1 3 338.499 3.117 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCN(C(C)C)C2)n(C)n1 ZINC000924960761 1323228866 /nfs/dbraw/zinc/22/88/66/1323228866.db2.gz RVYAZHUOEFZCNC-WSTZPKSXSA-N 1 3 332.536 3.150 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccnn2C2CCC2)[C@@H](C)C1 ZINC000925079704 1323270438 /nfs/dbraw/zinc/27/04/38/1323270438.db2.gz YIQJREZXKOBQDJ-LNLFQRSKSA-N 1 3 348.535 3.396 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@H](c2ccccn2)C2CCC2)C[C@H](C)O1 ZINC000925440830 1325150685 /nfs/dbraw/zinc/15/06/85/1325150685.db2.gz VOQIPSMMYBXTMF-QKLQHJQFSA-N 1 3 331.504 3.402 10 0 EGAEHO COc1ccccc1[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)N1CCCCC1 ZINC000925481257 1325169026 /nfs/dbraw/zinc/16/90/26/1325169026.db2.gz IUWSLPWSILMPEW-IHPCNDPISA-N 1 3 343.515 3.082 10 0 EGAEHO COc1ccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c(OC)c1 ZINC000925513754 1325186113 /nfs/dbraw/zinc/18/61/13/1325186113.db2.gz AUKIGKMJQMZGRZ-OALUTQOASA-N 1 3 332.488 3.004 10 0 EGAEHO CC1(C)[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H]2CCCN[C@@H]21 ZINC000925566677 1325213546 /nfs/dbraw/zinc/21/35/46/1325213546.db2.gz KYSIFTKFPJHXCT-JEBQAFNWSA-N 1 3 333.545 3.321 10 0 EGAEHO CC1(C)[C@H](NCCCc2nc3c(s2)CCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925566677 1325213558 /nfs/dbraw/zinc/21/35/58/1325213558.db2.gz KYSIFTKFPJHXCT-JEBQAFNWSA-N 1 3 333.545 3.321 10 0 EGAEHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925584035 1325220424 /nfs/dbraw/zinc/22/04/24/1325220424.db2.gz OWCVXJZYJBWENB-ONERCXAPSA-N 1 3 341.268 3.379 10 0 EGAEHO CC(C)(CO)[C@@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1 ZINC000925607429 1325230367 /nfs/dbraw/zinc/23/03/67/1325230367.db2.gz PUYIIAJECLLXPP-XWSJACJDSA-N 1 3 330.516 3.155 10 0 EGAEHO CC(C)(CO)[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607429 1325230375 /nfs/dbraw/zinc/23/03/75/1325230375.db2.gz PUYIIAJECLLXPP-XWSJACJDSA-N 1 3 330.516 3.155 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000925780792 1325298982 /nfs/dbraw/zinc/29/89/82/1325298982.db2.gz GVBFLNZTSVQCCM-WPRPVWTQSA-N 1 3 338.229 3.471 10 0 EGAEHO Cc1ccc([C@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858510 1325332451 /nfs/dbraw/zinc/33/24/51/1325332451.db2.gz UIHJZQSLXBZCEE-FUHWJXTLSA-N 1 3 346.471 3.094 10 0 EGAEHO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1(Br)CC1 ZINC000926634519 1327645599 /nfs/dbraw/zinc/64/55/99/1327645599.db2.gz FOCRQUHMWRUJKP-IMJJTQAJSA-N 1 3 337.305 3.237 10 0 EGAEHO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1(Br)CC1 ZINC000926634519 1327645609 /nfs/dbraw/zinc/64/56/09/1327645609.db2.gz FOCRQUHMWRUJKP-IMJJTQAJSA-N 1 3 337.305 3.237 10 0 EGAEHO c1cc(CNC[C@H]2CC[N@@H+]2C2CCCCCC2)n(-c2ccncc2)n1 ZINC000865805216 1329740084 /nfs/dbraw/zinc/74/00/84/1329740084.db2.gz VDHYGBCXANXQRB-LJQANCHMSA-N 1 3 339.487 3.154 10 0 EGAEHO c1cc(CNC[C@H]2CC[N@H+]2C2CCCCCC2)n(-c2ccncc2)n1 ZINC000865805216 1329740086 /nfs/dbraw/zinc/74/00/86/1329740086.db2.gz VDHYGBCXANXQRB-LJQANCHMSA-N 1 3 339.487 3.154 10 0 EGAEHO c1cc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)n(-c2ccncc2)n1 ZINC000865805216 1329740088 /nfs/dbraw/zinc/74/00/88/1329740088.db2.gz VDHYGBCXANXQRB-LJQANCHMSA-N 1 3 339.487 3.154 10 0 EGAEHO c1ccc(CN2CCCC[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865803976 1329740156 /nfs/dbraw/zinc/74/01/56/1329740156.db2.gz NZPPWCQKUNNNSY-ACRUOGEOSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCCC[C@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865803976 1329740157 /nfs/dbraw/zinc/74/01/57/1329740157.db2.gz NZPPWCQKUNNNSY-ACRUOGEOSA-N 1 3 327.516 3.258 10 0 EGAEHO Cc1c([C@@H](C)NC2CCC(C)([NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000866515402 1330120658 /nfs/dbraw/zinc/12/06/58/1330120658.db2.gz ASJVOCGDFMWFLU-XRTORIHISA-N 1 3 341.503 3.489 10 0 EGAEHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000866704593 1330142833 /nfs/dbraw/zinc/14/28/33/1330142833.db2.gz OWRSMWYXUGIYJG-GOSISDBHSA-N 1 3 337.895 3.366 10 0 EGAEHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000866704593 1330142834 /nfs/dbraw/zinc/14/28/34/1330142834.db2.gz OWRSMWYXUGIYJG-GOSISDBHSA-N 1 3 337.895 3.366 10 0 EGAEHO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705263 1330142933 /nfs/dbraw/zinc/14/29/33/1330142933.db2.gz WMLSEAXWJZUCAC-IBGZPJMESA-N 1 3 349.544 3.434 10 0 EGAEHO CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705263 1330142934 /nfs/dbraw/zinc/14/29/34/1330142934.db2.gz WMLSEAXWJZUCAC-IBGZPJMESA-N 1 3 349.544 3.434 10 0 EGAEHO CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001323836982 1387469867 /nfs/dbraw/zinc/46/98/67/1387469867.db2.gz YEQRPQFXIXOIIS-GOSISDBHSA-N 1 3 337.552 3.221 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001324090955 1387538029 /nfs/dbraw/zinc/53/80/29/1387538029.db2.gz SBYWRAGLBYFFJR-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001324494627 1387647075 /nfs/dbraw/zinc/64/70/75/1387647075.db2.gz IDSIFDFBCLXUPZ-GOSISDBHSA-N 1 3 335.536 3.092 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CCCC1 ZINC001324496026 1387649843 /nfs/dbraw/zinc/64/98/43/1387649843.db2.gz SPRNETOQMUMAPD-SJLPKXTDSA-N 1 3 337.552 3.172 10 0 EGAEHO COC(=O)c1cccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001325026787 1387877198 /nfs/dbraw/zinc/87/71/98/1387877198.db2.gz GNJQRONTXCUBCW-UHFFFAOYSA-N 1 3 338.451 3.359 10 0 EGAEHO Cc1cc(-n2ccnc2)ccc1CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368602 1368799581 /nfs/dbraw/zinc/79/95/81/1368799581.db2.gz JKDLMDWOIQSCDD-SFHVURJKSA-N 1 3 347.466 3.286 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)CN(C)CC(C)(C)C ZINC001326458476 1388197619 /nfs/dbraw/zinc/19/76/19/1388197619.db2.gz NNADJIBTTYBKPM-UHFFFAOYSA-N 1 3 333.520 3.123 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)CC(C)(C)C ZINC001326458476 1388197624 /nfs/dbraw/zinc/19/76/24/1388197624.db2.gz NNADJIBTTYBKPM-UHFFFAOYSA-N 1 3 333.520 3.123 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)CCC1 ZINC001326522839 1388228244 /nfs/dbraw/zinc/22/82/44/1388228244.db2.gz ZBKIKTSTVICTKP-WGSAOQKQSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001327245776 1388461399 /nfs/dbraw/zinc/46/13/99/1388461399.db2.gz QDVAIFRGYLZGCS-AZUAARDMSA-N 1 3 345.531 3.239 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001327245776 1388461403 /nfs/dbraw/zinc/46/14/03/1388461403.db2.gz QDVAIFRGYLZGCS-AZUAARDMSA-N 1 3 345.531 3.239 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001266119440 1377195528 /nfs/dbraw/zinc/19/55/28/1377195528.db2.gz FNAYNKINYZOIIF-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001266119440 1377195530 /nfs/dbraw/zinc/19/55/30/1377195530.db2.gz FNAYNKINYZOIIF-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO CN(CC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1)CC(C)(C)C ZINC001266189293 1377220789 /nfs/dbraw/zinc/22/07/89/1377220789.db2.gz CCTYQIVXJNOPQX-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001267657849 1377464778 /nfs/dbraw/zinc/46/47/78/1377464778.db2.gz GIBDBCSHLZXLKO-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001267657849 1377464782 /nfs/dbraw/zinc/46/47/82/1377464782.db2.gz GIBDBCSHLZXLKO-RTBURBONSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001268164538 1377490578 /nfs/dbraw/zinc/49/05/78/1377490578.db2.gz AOZKEVUABHJGAZ-IBGZPJMESA-N 1 3 349.494 3.027 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001268182232 1377490872 /nfs/dbraw/zinc/49/08/72/1377490872.db2.gz UGBYOCNZNMDCGJ-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001268182234 1377490886 /nfs/dbraw/zinc/49/08/86/1377490886.db2.gz UGBYOCNZNMDCGJ-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001327488853 1388533682 /nfs/dbraw/zinc/53/36/82/1388533682.db2.gz SFZBWRZPLRVTPE-VOTSOKGWSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001277286454 1378216196 /nfs/dbraw/zinc/21/61/96/1378216196.db2.gz ZSUGPKWWZYSDKP-HXUWFJFHSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001277286454 1378216201 /nfs/dbraw/zinc/21/62/01/1378216201.db2.gz ZSUGPKWWZYSDKP-HXUWFJFHSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001279574194 1378313115 /nfs/dbraw/zinc/31/31/15/1378313115.db2.gz QJPJNVSFDXMBKV-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001279574194 1378313121 /nfs/dbraw/zinc/31/31/21/1378313121.db2.gz QJPJNVSFDXMBKV-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001282167562 1378482858 /nfs/dbraw/zinc/48/28/58/1378482858.db2.gz MDQSRSDJEWZTEE-MSOLQXFVSA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001282741926 1378592541 /nfs/dbraw/zinc/59/25/41/1378592541.db2.gz VSXNPLCMWQRXQA-MSOLQXFVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282832813 1378633573 /nfs/dbraw/zinc/63/35/73/1378633573.db2.gz GMKXLWRNQKLIAP-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001284088131 1379454500 /nfs/dbraw/zinc/45/45/00/1379454500.db2.gz UGUWYEPMFGQXPO-GBESFXJTSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001284529882 1379933990 /nfs/dbraw/zinc/93/39/90/1379933990.db2.gz NPFMERGGEVENGP-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)[C@H]1CCCN1C ZINC001284529882 1379933992 /nfs/dbraw/zinc/93/39/92/1379933992.db2.gz NPFMERGGEVENGP-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001284927660 1380317293 /nfs/dbraw/zinc/31/72/93/1380317293.db2.gz GCFOHOPURFQZDD-SFHVURJKSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001284927660 1380317294 /nfs/dbraw/zinc/31/72/94/1380317294.db2.gz GCFOHOPURFQZDD-SFHVURJKSA-N 1 3 337.552 3.147 10 0 EGAEHO CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001328458705 1388750509 /nfs/dbraw/zinc/75/05/09/1388750509.db2.gz JYJJCOJHCQKJQV-FXAWDEMLSA-N 1 3 345.531 3.108 10 0 EGAEHO C[C@@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC001290954638 1382117436 /nfs/dbraw/zinc/11/74/36/1382117436.db2.gz QLAVHSZYKIJNGI-CVEARBPZSA-N 1 3 342.487 3.284 10 0 EGAEHO C[C@@H](CNC(=O)c1ccc(NC2=NCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC001290954638 1382117437 /nfs/dbraw/zinc/11/74/37/1382117437.db2.gz QLAVHSZYKIJNGI-CVEARBPZSA-N 1 3 342.487 3.284 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001328674233 1388803749 /nfs/dbraw/zinc/80/37/49/1388803749.db2.gz QUMYBVZUJMGWPO-DBBZSVRUSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001297931140 1383296002 /nfs/dbraw/zinc/29/60/02/1383296002.db2.gz WUSKUCSUDLUXJC-KRWDZBQOSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC001297931140 1383296004 /nfs/dbraw/zinc/29/60/04/1383296004.db2.gz WUSKUCSUDLUXJC-KRWDZBQOSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1cc(C)ccc1C ZINC001316603871 1384472202 /nfs/dbraw/zinc/47/22/02/1384472202.db2.gz CIQLDDOXNGLTOT-MOPGFXCFSA-N 1 3 345.531 3.239 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1cc(C)ccc1C ZINC001316603871 1384472204 /nfs/dbraw/zinc/47/22/04/1384472204.db2.gz CIQLDDOXNGLTOT-MOPGFXCFSA-N 1 3 345.531 3.239 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001316718099 1384536127 /nfs/dbraw/zinc/53/61/27/1384536127.db2.gz APKQDKNODDINGT-BNCVPQAMSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001316718099 1384536128 /nfs/dbraw/zinc/53/61/28/1384536128.db2.gz APKQDKNODDINGT-BNCVPQAMSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001316757914 1384562692 /nfs/dbraw/zinc/56/26/92/1384562692.db2.gz ZGUCZCCKLCDPLK-YMHTTXFNSA-N 1 3 349.563 3.101 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001316757914 1384562695 /nfs/dbraw/zinc/56/26/95/1384562695.db2.gz ZGUCZCCKLCDPLK-YMHTTXFNSA-N 1 3 349.563 3.101 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCC(C)(C)C)N(C)C ZINC001316806330 1384598619 /nfs/dbraw/zinc/59/86/19/1384598619.db2.gz FXSJAJHJLJAOCI-DLBZAZTESA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C)N(C)C ZINC001316806330 1384598617 /nfs/dbraw/zinc/59/86/17/1384598617.db2.gz FXSJAJHJLJAOCI-DLBZAZTESA-N 1 3 325.541 3.076 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001316904762 1384684115 /nfs/dbraw/zinc/68/41/15/1384684115.db2.gz YZNXMGFHEPYSSU-PKOBYXMFSA-N 1 3 345.531 3.226 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001316904762 1384684121 /nfs/dbraw/zinc/68/41/21/1384684121.db2.gz YZNXMGFHEPYSSU-PKOBYXMFSA-N 1 3 345.531 3.226 10 0 EGAEHO Cc1cccc([C@H](C)[NH+]2CCC(N(C)C(=O)CN(C)C(C)C)CC2)c1 ZINC001316937062 1384708254 /nfs/dbraw/zinc/70/82/54/1384708254.db2.gz JFTSNMHUNNPLPP-SFHVURJKSA-N 1 3 345.531 3.319 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001316997927 1384754962 /nfs/dbraw/zinc/75/49/62/1384754962.db2.gz HVXSQLUXHSESLW-MHEJJFAZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014267 1384778864 /nfs/dbraw/zinc/77/88/64/1384778864.db2.gz SQCPHCIVGPETAJ-WOJBJXKFSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175780 1384946950 /nfs/dbraw/zinc/94/69/50/1384946950.db2.gz GNHKXOOISFFGDZ-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175780 1384946954 /nfs/dbraw/zinc/94/69/54/1384946954.db2.gz GNHKXOOISFFGDZ-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001317183044 1384958463 /nfs/dbraw/zinc/95/84/63/1384958463.db2.gz MDIOKYATQGOLIG-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317294814 1385067220 /nfs/dbraw/zinc/06/72/20/1385067220.db2.gz RLAGKNHHBOKIHK-WWDZGPRUSA-N 1 3 339.568 3.273 10 0 EGAEHO CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317384162 1385108872 /nfs/dbraw/zinc/10/88/72/1385108872.db2.gz LLMJRDKQPPJYHR-RBUKOAKNSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317384162 1385108875 /nfs/dbraw/zinc/10/88/75/1385108875.db2.gz LLMJRDKQPPJYHR-RBUKOAKNSA-N 1 3 337.552 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001317416327 1385125815 /nfs/dbraw/zinc/12/58/15/1385125815.db2.gz UKLXKNIYCKLFIF-BEFAXECRSA-N 1 3 349.494 3.028 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001329102176 1388968761 /nfs/dbraw/zinc/96/87/61/1388968761.db2.gz BRVHBEQVCOIASX-IAGOWNOFSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1=CCCCC1 ZINC001317490309 1385189757 /nfs/dbraw/zinc/18/97/57/1385189757.db2.gz YFIMZBGOOHUOFZ-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1=CCCCC1 ZINC001317490309 1385189759 /nfs/dbraw/zinc/18/97/59/1385189759.db2.gz YFIMZBGOOHUOFZ-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534670 1385265157 /nfs/dbraw/zinc/26/51/57/1385265157.db2.gz DBUWGQAJBNTPAK-OALUTQOASA-N 1 3 345.531 3.143 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534670 1385265162 /nfs/dbraw/zinc/26/51/62/1385265162.db2.gz DBUWGQAJBNTPAK-OALUTQOASA-N 1 3 345.531 3.143 10 0 EGAEHO CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001317684582 1385395018 /nfs/dbraw/zinc/39/50/18/1385395018.db2.gz SPUTXJWPMBYILA-KRWDZBQOSA-N 1 3 345.531 3.379 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317810804 1385508829 /nfs/dbraw/zinc/50/88/29/1385508829.db2.gz FRUJTSQSBNDVJT-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317810804 1385508834 /nfs/dbraw/zinc/50/88/34/1385508834.db2.gz FRUJTSQSBNDVJT-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001319151297 1385982476 /nfs/dbraw/zinc/98/24/76/1385982476.db2.gz ZSKMWGDLNYLJQP-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001319151297 1385982479 /nfs/dbraw/zinc/98/24/79/1385982479.db2.gz ZSKMWGDLNYLJQP-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001319224503 1386014041 /nfs/dbraw/zinc/01/40/41/1386014041.db2.gz IITDCAQVPFNYSS-HOTGVXAUSA-N 1 3 349.494 3.103 10 0 EGAEHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CCC(C)(C)C ZINC001319285415 1386042542 /nfs/dbraw/zinc/04/25/42/1386042542.db2.gz MAQAEYUYEOINFP-MRXNPFEDSA-N 1 3 333.520 3.140 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001319776587 1386292424 /nfs/dbraw/zinc/29/24/24/1386292424.db2.gz BUGMUUPOVQCGDF-IBGZPJMESA-N 1 3 346.519 3.283 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)N(C)C ZINC001322041948 1387037309 /nfs/dbraw/zinc/03/73/09/1387037309.db2.gz MJBDESSLAVRVLA-RNODOKPDSA-N 1 3 347.547 3.163 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl ZINC001329341951 1389068376 /nfs/dbraw/zinc/06/83/76/1389068376.db2.gz LFLFKHVUUANKSI-SIJIIQCFSA-N 1 3 343.943 3.076 10 0 EGAEHO CC[C@H](C)C[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001329818572 1389230716 /nfs/dbraw/zinc/23/07/16/1389230716.db2.gz KXMKVGMAHSXFOV-ROUUACIJSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045739 1389293239 /nfs/dbraw/zinc/29/32/39/1389293239.db2.gz DPZOBRGYHCQFKO-XLIONFOSSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001331074003 1389621049 /nfs/dbraw/zinc/62/10/49/1389621049.db2.gz GMHIKJHDSRIHTL-UHFFFAOYSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001331074003 1389621053 /nfs/dbraw/zinc/62/10/53/1389621053.db2.gz GMHIKJHDSRIHTL-UHFFFAOYSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075262 1389622203 /nfs/dbraw/zinc/62/22/03/1389622203.db2.gz UAYHHFWIUWXVIW-FQEVSTJZSA-N 1 3 345.531 3.401 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075262 1389622205 /nfs/dbraw/zinc/62/22/05/1389622205.db2.gz UAYHHFWIUWXVIW-FQEVSTJZSA-N 1 3 345.531 3.401 10 0 EGAEHO CC(C)[C@@H](CCNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC1CCC1 ZINC001331223919 1389659927 /nfs/dbraw/zinc/65/99/27/1389659927.db2.gz LGRRZESJDSHESB-RTBURBONSA-N 1 3 337.552 3.170 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651349 1389847987 /nfs/dbraw/zinc/84/79/87/1389847987.db2.gz XBQITSPPCSUNJS-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H]([NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001698762450 1406416813 /nfs/dbraw/zinc/41/68/13/1406416813.db2.gz UPJCSOYFUPIPKR-HKUYNNGSSA-N 1 3 345.531 3.354 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCCC(F)F)CC1 ZINC001339880279 1390181761 /nfs/dbraw/zinc/18/17/61/1390181761.db2.gz BZRZXCKOUPMCPA-UHFFFAOYSA-N 1 3 325.447 3.354 10 0 EGAEHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc(F)c(OC)c2)cc1 ZINC001333144533 1390256523 /nfs/dbraw/zinc/25/65/23/1390256523.db2.gz KTLLGWUPCZHXLX-HKUYNNGSSA-N 1 3 344.430 3.078 10 0 EGAEHO Fc1cc2[nH]c(CNCCC[NH+]3CCC3)cc2c(Br)c1 ZINC001333505855 1390321469 /nfs/dbraw/zinc/32/14/69/1390321469.db2.gz WFVKZMFIKYCRSL-UHFFFAOYSA-N 1 3 340.240 3.255 10 0 EGAEHO CC1(C)[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H]2CCCN[C@@H]21 ZINC001335251094 1390660023 /nfs/dbraw/zinc/66/00/23/1390660023.db2.gz IJDKUEUWVFBSIL-CEXWTWQISA-N 1 3 331.479 3.161 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)N1CCCCCC1 ZINC001479397842 1392233364 /nfs/dbraw/zinc/23/33/64/1392233364.db2.gz DSSQGBXBWAJGPR-BZSNNMDCSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729876 1392341418 /nfs/dbraw/zinc/34/14/18/1392341418.db2.gz MPKVFAPTHKNAAU-CNGCZUSVSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729876 1392341422 /nfs/dbraw/zinc/34/14/22/1392341422.db2.gz MPKVFAPTHKNAAU-CNGCZUSVSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479734164 1392345181 /nfs/dbraw/zinc/34/51/81/1392345181.db2.gz AJYGCWMVOSZJCG-UEKDZROGSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479734164 1392345185 /nfs/dbraw/zinc/34/51/85/1392345185.db2.gz AJYGCWMVOSZJCG-UEKDZROGSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)C)CC(C)(C)C1)N(C)C ZINC001479744637 1392359559 /nfs/dbraw/zinc/35/95/59/1392359559.db2.gz GTHXOBGCLUMLLM-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)C)CC(C)(C)C1)N(C)C ZINC001479744637 1392359562 /nfs/dbraw/zinc/35/95/62/1392359562.db2.gz GTHXOBGCLUMLLM-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC(CC)C[N@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479797132 1392396225 /nfs/dbraw/zinc/39/62/25/1392396225.db2.gz TYLJKGPSKRDKMS-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CCC(CC)C[N@@H+](C)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479797132 1392396230 /nfs/dbraw/zinc/39/62/30/1392396230.db2.gz TYLJKGPSKRDKMS-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479823634 1392412921 /nfs/dbraw/zinc/41/29/21/1392412921.db2.gz KRLMTFZDBVHFIL-ZMGAVLDPSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479831592 1392417927 /nfs/dbraw/zinc/41/79/27/1392417927.db2.gz NEVDDAAEKPTNIH-ROUUACIJSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480051664 1392552050 /nfs/dbraw/zinc/55/20/50/1392552050.db2.gz UHWPPEQJKUYTPS-ROUUACIJSA-N 1 3 337.552 3.170 10 0 EGAEHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)CC(C)(C)C ZINC001480182085 1392613841 /nfs/dbraw/zinc/61/38/41/1392613841.db2.gz INHMUFLSDKFMMH-YQQQUEKLSA-N 1 3 349.563 3.266 10 0 EGAEHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)CC(C)(C)C ZINC001480182085 1392613842 /nfs/dbraw/zinc/61/38/42/1392613842.db2.gz INHMUFLSDKFMMH-YQQQUEKLSA-N 1 3 349.563 3.266 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001480368472 1392710602 /nfs/dbraw/zinc/71/06/02/1392710602.db2.gz XSJCQAKOTOBGEK-RTBURBONSA-N 1 3 345.531 3.367 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595515 1392810507 /nfs/dbraw/zinc/81/05/07/1392810507.db2.gz BTXAPQKCLDIBQE-DLBZAZTESA-N 1 3 347.547 3.480 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001480697433 1392860999 /nfs/dbraw/zinc/86/09/99/1392860999.db2.gz FHPPZDBMTJCPFM-MOPGFXCFSA-N 1 3 349.563 3.458 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480697898 1392861625 /nfs/dbraw/zinc/86/16/25/1392861625.db2.gz JAGAYOFJQXVOJZ-PJHKVULZSA-N 1 3 335.536 3.234 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700934 1392864753 /nfs/dbraw/zinc/86/47/53/1392864753.db2.gz ZIDCIFSZJWCPHX-RBUKOAKNSA-N 1 3 349.563 3.458 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709844 1392872290 /nfs/dbraw/zinc/87/22/90/1392872290.db2.gz GWIPMGZUKAESCQ-RBUKOAKNSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@H](C)c1cccc(Cl)c1 ZINC001481018545 1393094968 /nfs/dbraw/zinc/09/49/68/1393094968.db2.gz BSWPIYNYHWYSTN-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@H](C)c1cccc(Cl)c1 ZINC001481018545 1393094975 /nfs/dbraw/zinc/09/49/75/1393094975.db2.gz BSWPIYNYHWYSTN-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001481327304 1393164337 /nfs/dbraw/zinc/16/43/37/1393164337.db2.gz FAOPPELLJUASKY-YLJYHZDGSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001490619189 1394285925 /nfs/dbraw/zinc/28/59/25/1394285925.db2.gz VXJQREDCWHVBTN-SFHVURJKSA-N 1 3 337.552 3.221 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481743285 1394488847 /nfs/dbraw/zinc/48/88/47/1394488847.db2.gz CQKGZBXNDHKBRP-RJCMGOLDSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481743285 1394488848 /nfs/dbraw/zinc/48/88/48/1394488848.db2.gz CQKGZBXNDHKBRP-RJCMGOLDSA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481964095 1394625949 /nfs/dbraw/zinc/62/59/49/1394625949.db2.gz OGISXPBJOXRSTG-WIYYLYMNSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001482006532 1394665799 /nfs/dbraw/zinc/66/57/99/1394665799.db2.gz APWFAYPRGXWKRA-GOSISDBHSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001482029628 1394689016 /nfs/dbraw/zinc/68/90/16/1394689016.db2.gz MCLJRLVBYMDGTR-LJQANCHMSA-N 1 3 331.504 3.065 10 0 EGAEHO C[C@H](F)CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001482238262 1394834592 /nfs/dbraw/zinc/83/45/92/1394834592.db2.gz LWDNDUJCCCJEIN-INIZCTEOSA-N 1 3 349.494 3.129 10 0 EGAEHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC(C)(C)C ZINC001698973411 1406739637 /nfs/dbraw/zinc/73/96/37/1406739637.db2.gz XSQMSCXBCFSLER-INIZCTEOSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001484975851 1395615557 /nfs/dbraw/zinc/61/55/57/1395615557.db2.gz JNPHFHNYWDJJJN-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001484975851 1395615562 /nfs/dbraw/zinc/61/55/62/1395615562.db2.gz JNPHFHNYWDJJJN-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+](C)CC1CCCCC1 ZINC001485359045 1395835475 /nfs/dbraw/zinc/83/54/75/1395835475.db2.gz SKVKCKZBYJGPGO-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+](C)CC1CCCCC1 ZINC001485359045 1395835481 /nfs/dbraw/zinc/83/54/81/1395835481.db2.gz SKVKCKZBYJGPGO-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483445 1395969502 /nfs/dbraw/zinc/96/95/02/1395969502.db2.gz WFZKYOFGHZDLKS-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001485483445 1395969506 /nfs/dbraw/zinc/96/95/06/1395969506.db2.gz WFZKYOFGHZDLKS-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521630 1395995271 /nfs/dbraw/zinc/99/52/71/1395995271.db2.gz DBELPCNVCXSDQB-PXNSSMCTSA-N 1 3 345.531 3.052 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521634 1395996065 /nfs/dbraw/zinc/99/60/65/1395996065.db2.gz DBELPCNVCXSDQB-YLJYHZDGSA-N 1 3 345.531 3.052 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960201 1396174081 /nfs/dbraw/zinc/17/40/81/1396174081.db2.gz BKQLVNLDUPEHMD-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001486208230 1396182486 /nfs/dbraw/zinc/18/24/86/1396182486.db2.gz OPTXMQXILRATQH-IRXDYDNUSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCCCN1C(C)C ZINC001496294263 1396637573 /nfs/dbraw/zinc/63/75/73/1396637573.db2.gz LKIHJEFGDJPWDF-ISIQUDIPSA-N 1 3 343.943 3.122 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001496490950 1396709013 /nfs/dbraw/zinc/70/90/13/1396709013.db2.gz KHRJWCYLDAASEK-ICSRJNTNSA-N 1 3 345.531 3.052 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001689056518 1396858122 /nfs/dbraw/zinc/85/81/22/1396858122.db2.gz VFSQIUKAOGKQQJ-QZTJIDSGSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)[NH2+]CCCCCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001689159924 1396954611 /nfs/dbraw/zinc/95/46/11/1396954611.db2.gz ZARBHCRAZBHGHX-LJQANCHMSA-N 1 3 343.531 3.216 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174502 1424709396 /nfs/dbraw/zinc/70/93/96/1424709396.db2.gz RDVJYBSRIZBTDK-QFBILLFUSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174502 1424709399 /nfs/dbraw/zinc/70/93/99/1424709399.db2.gz RDVJYBSRIZBTDK-QFBILLFUSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690394058 1404535907 /nfs/dbraw/zinc/53/59/07/1404535907.db2.gz RPVXJZAOUPWBHE-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690394058 1404535908 /nfs/dbraw/zinc/53/59/08/1404535908.db2.gz RPVXJZAOUPWBHE-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001690423048 1404550901 /nfs/dbraw/zinc/55/09/01/1404550901.db2.gz GEXJXYQCNHPVOM-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001690532383 1404624435 /nfs/dbraw/zinc/62/44/35/1404624435.db2.gz KLOGMQTZONADDZ-ABHNRTSZSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001690998178 1404914619 /nfs/dbraw/zinc/91/46/19/1404914619.db2.gz FWBGUIQZGGBVHT-QZTJIDSGSA-N 1 3 345.531 3.231 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062630 1404987420 /nfs/dbraw/zinc/98/74/20/1404987420.db2.gz UNJDIHHMHXOXBE-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001691062630 1404987425 /nfs/dbraw/zinc/98/74/25/1404987425.db2.gz UNJDIHHMHXOXBE-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001691692018 1405426334 /nfs/dbraw/zinc/42/63/34/1405426334.db2.gz IJQFEGBOMDNFCR-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001691793876 1405503712 /nfs/dbraw/zinc/50/37/12/1405503712.db2.gz GJCDEBOQXQMDBN-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001691793876 1405503715 /nfs/dbraw/zinc/50/37/15/1405503715.db2.gz GJCDEBOQXQMDBN-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001732021094 1428238344 /nfs/dbraw/zinc/23/83/44/1428238344.db2.gz AYGHVTCVWNSWNP-PKOBYXMFSA-N 1 3 345.531 3.354 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001732084770 1428344039 /nfs/dbraw/zinc/34/40/39/1428344039.db2.gz UWJPLQFEIOFIMF-IRXDYDNUSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001732084770 1428344043 /nfs/dbraw/zinc/34/40/43/1428344043.db2.gz UWJPLQFEIOFIMF-IRXDYDNUSA-N 1 3 349.494 3.007 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174773 1428420049 /nfs/dbraw/zinc/42/00/49/1428420049.db2.gz WIELYUUMYCZPIR-SJORKVTESA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174773 1428420051 /nfs/dbraw/zinc/42/00/51/1428420051.db2.gz WIELYUUMYCZPIR-SJORKVTESA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176357 1428421904 /nfs/dbraw/zinc/42/19/04/1428421904.db2.gz SUYUPSQIUKXDSN-UXHICEINSA-N 1 3 347.547 3.140 10 0 EGAEHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213441 1428461948 /nfs/dbraw/zinc/46/19/48/1428461948.db2.gz ZXVHJRNQQMAARX-WMZOPIPTSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001732228797 1428476354 /nfs/dbraw/zinc/47/63/54/1428476354.db2.gz LITJBPCRINOMOS-LJQANCHMSA-N 1 3 347.547 3.378 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CCC1CCCCC1)C1CC1 ZINC001732254546 1428495774 /nfs/dbraw/zinc/49/57/74/1428495774.db2.gz UHGFTXHXMVESRD-FQEVSTJZSA-N 1 3 346.519 3.106 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280689 1428512560 /nfs/dbraw/zinc/51/25/60/1428512560.db2.gz LOFIVMAKMNLBEA-WIYYLYMNSA-N 1 3 349.563 3.170 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001732312171 1428524753 /nfs/dbraw/zinc/52/47/53/1428524753.db2.gz QTKNUBYSXMUBTL-FHWLQOOXSA-N 1 3 335.536 3.233 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001732331292 1428537757 /nfs/dbraw/zinc/53/77/57/1428537757.db2.gz LRTJBHRDGHFHSL-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001732331292 1428537760 /nfs/dbraw/zinc/53/77/60/1428537760.db2.gz LRTJBHRDGHFHSL-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001699060934 1412492476 /nfs/dbraw/zinc/49/24/76/1412492476.db2.gz NOXXLJJZLSADAX-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001699314425 1412633698 /nfs/dbraw/zinc/63/36/98/1412633698.db2.gz NMCBARPFBAPCGC-AQWUKCDYSA-N 1 3 349.563 3.482 10 0 EGAEHO CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001699681752 1413075952 /nfs/dbraw/zinc/07/59/52/1413075952.db2.gz YWVAMXTXFVZWOQ-YQQQUEKLSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C)c1ccccc1 ZINC001699766262 1413171093 /nfs/dbraw/zinc/17/10/93/1413171093.db2.gz DBFYWTVLVKYTQT-RBUKOAKNSA-N 1 3 331.504 3.059 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC=C(C)C)C2)C1 ZINC001700197923 1413639748 /nfs/dbraw/zinc/63/97/48/1413639748.db2.gz NMLVVWGSYJASNA-WOJBJXKFSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC=C(C)C)C2)C1 ZINC001700197923 1413639750 /nfs/dbraw/zinc/63/97/50/1413639750.db2.gz NMLVVWGSYJASNA-WOJBJXKFSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001700324069 1413792709 /nfs/dbraw/zinc/79/27/09/1413792709.db2.gz RMRLHQBZUJBXIW-CSXIPAGWSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001700324069 1413792711 /nfs/dbraw/zinc/79/27/11/1413792711.db2.gz RMRLHQBZUJBXIW-CSXIPAGWSA-N 1 3 343.515 3.009 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689322 1414342341 /nfs/dbraw/zinc/34/23/41/1414342341.db2.gz KNFLPQSPYNPAIX-ICSRJNTNSA-N 1 3 345.531 3.244 10 0 EGAEHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588376 1428804999 /nfs/dbraw/zinc/80/49/99/1428804999.db2.gz KDUDCLLOYRUSGD-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588387 1428805704 /nfs/dbraw/zinc/80/57/04/1428805704.db2.gz KNDPBXQWJJWNNN-INIZCTEOSA-N 1 3 349.494 3.151 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001700753167 1414423594 /nfs/dbraw/zinc/42/35/94/1414423594.db2.gz SWDHPZNIOYXPOX-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001700974703 1414606900 /nfs/dbraw/zinc/60/69/00/1414606900.db2.gz LBLJICJHVRUIPQ-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001700974703 1414606901 /nfs/dbraw/zinc/60/69/01/1414606901.db2.gz LBLJICJHVRUIPQ-IBGZPJMESA-N 1 3 335.536 3.140 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001701001577 1414654331 /nfs/dbraw/zinc/65/43/31/1414654331.db2.gz SFKVRENSFJIXQF-ROUUACIJSA-N 1 3 339.568 3.418 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001732604853 1428859172 /nfs/dbraw/zinc/85/91/72/1428859172.db2.gz GJFSFLROTDVUDY-YMHTTXFNSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001732604853 1428859177 /nfs/dbraw/zinc/85/91/77/1428859177.db2.gz GJFSFLROTDVUDY-YMHTTXFNSA-N 1 3 349.563 3.243 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001732690400 1428911388 /nfs/dbraw/zinc/91/13/88/1428911388.db2.gz OVJSGKQLYFUFDO-AZUAARDMSA-N 1 3 345.531 3.161 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732801010 1428980063 /nfs/dbraw/zinc/98/00/63/1428980063.db2.gz DXWNTVXGNWAVBZ-ZWKOTPCHSA-N 1 3 349.544 3.012 10 0 EGAEHO CCN(CCNCc1csc(C)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001732801010 1428980068 /nfs/dbraw/zinc/98/00/68/1428980068.db2.gz DXWNTVXGNWAVBZ-ZWKOTPCHSA-N 1 3 349.544 3.012 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001732909056 1429042582 /nfs/dbraw/zinc/04/25/82/1429042582.db2.gz QQTQFGVNARCZCB-ZTBDEIDFSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707057961 1417174085 /nfs/dbraw/zinc/17/40/85/1417174085.db2.gz CQKHXWYSNDXEHF-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197371 1417240842 /nfs/dbraw/zinc/24/08/42/1417240842.db2.gz JXILXRLKDIRUOH-COLAKMGYSA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197371 1417240843 /nfs/dbraw/zinc/24/08/43/1417240843.db2.gz JXILXRLKDIRUOH-COLAKMGYSA-N 1 3 349.563 3.432 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707239816 1417260342 /nfs/dbraw/zinc/26/03/42/1417260342.db2.gz DAYVKBLINRMXSD-RTBURBONSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001707282060 1417292456 /nfs/dbraw/zinc/29/24/56/1417292456.db2.gz NZYIMDSHMOHFQP-QGZVFWFLSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001707282060 1417292458 /nfs/dbraw/zinc/29/24/58/1417292458.db2.gz NZYIMDSHMOHFQP-QGZVFWFLSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381523 1417304533 /nfs/dbraw/zinc/30/45/33/1417304533.db2.gz QHHCDEUOKQYSFL-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381523 1417304537 /nfs/dbraw/zinc/30/45/37/1417304537.db2.gz QHHCDEUOKQYSFL-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713278445 1417901785 /nfs/dbraw/zinc/90/17/85/1417901785.db2.gz DXVHXCBVBLODOZ-IEBWSBKVSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713278445 1417901788 /nfs/dbraw/zinc/90/17/88/1417901788.db2.gz DXVHXCBVBLODOZ-IEBWSBKVSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001713392822 1418005865 /nfs/dbraw/zinc/00/58/65/1418005865.db2.gz TVGPBYZJQNIOIO-RTBURBONSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001713392822 1418005868 /nfs/dbraw/zinc/00/58/68/1418005868.db2.gz TVGPBYZJQNIOIO-RTBURBONSA-N 1 3 337.552 3.362 10 0 EGAEHO CC(C)C[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001713705435 1418465697 /nfs/dbraw/zinc/46/56/97/1418465697.db2.gz YSIFZVBRFLLNDO-AZUAARDMSA-N 1 3 345.531 3.354 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](Cc1ccccc1)C1CC1 ZINC001713775413 1418591456 /nfs/dbraw/zinc/59/14/56/1418591456.db2.gz ILDHEFAFXAJSLG-HXUWFJFHSA-N 1 3 343.515 3.032 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001713775413 1418591457 /nfs/dbraw/zinc/59/14/57/1418591457.db2.gz ILDHEFAFXAJSLG-HXUWFJFHSA-N 1 3 343.515 3.032 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001713890792 1418686797 /nfs/dbraw/zinc/68/67/97/1418686797.db2.gz BOLHKOLGHPLFCP-QGZVFWFLSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001713890792 1418686799 /nfs/dbraw/zinc/68/67/99/1418686799.db2.gz BOLHKOLGHPLFCP-QGZVFWFLSA-N 1 3 337.552 3.077 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN(C)C(C)C)c1 ZINC001714141608 1418944139 /nfs/dbraw/zinc/94/41/39/1418944139.db2.gz CTMVMXKDLXXKNM-HXUWFJFHSA-N 1 3 345.531 3.060 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155918 1418966099 /nfs/dbraw/zinc/96/60/99/1418966099.db2.gz LBUSRVGGHKWAPS-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)cc1 ZINC001714155918 1418966105 /nfs/dbraw/zinc/96/61/05/1418966105.db2.gz LBUSRVGGHKWAPS-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO CCCCCC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001714192879 1418998913 /nfs/dbraw/zinc/99/89/13/1418998913.db2.gz JBQNGRDCPCTEFO-UHFFFAOYSA-N 1 3 337.552 3.458 10 0 EGAEHO C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268125 1419048996 /nfs/dbraw/zinc/04/89/96/1419048996.db2.gz PURJYXHUKVVTBV-YJBOKZPZSA-N 1 3 349.544 3.140 10 0 EGAEHO C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCc1ccsc1 ZINC001714268125 1419049002 /nfs/dbraw/zinc/04/90/02/1419049002.db2.gz PURJYXHUKVVTBV-YJBOKZPZSA-N 1 3 349.544 3.140 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001714319618 1419098080 /nfs/dbraw/zinc/09/80/80/1419098080.db2.gz LUKYTESAHOEKET-YDMXYTAQSA-N 1 3 349.906 3.019 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001714319618 1419098101 /nfs/dbraw/zinc/09/81/01/1419098101.db2.gz LUKYTESAHOEKET-YDMXYTAQSA-N 1 3 349.906 3.019 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714418891 1419155714 /nfs/dbraw/zinc/15/57/14/1419155714.db2.gz HMWWWWXCVSVNLO-AEFFLSMTSA-N 1 3 345.531 3.272 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001714514458 1419241269 /nfs/dbraw/zinc/24/12/69/1419241269.db2.gz YGLXXAQRQUEELM-IAGOWNOFSA-N 1 3 337.552 3.314 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2=CCCCC2)CCC1 ZINC001714520855 1419246710 /nfs/dbraw/zinc/24/67/10/1419246710.db2.gz XIABGVFOCCZBBJ-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CC2=CCCCC2)CCC1 ZINC001714520855 1419246711 /nfs/dbraw/zinc/24/67/11/1419246711.db2.gz XIABGVFOCCZBBJ-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC(C)(C)C1 ZINC001714595148 1419346470 /nfs/dbraw/zinc/34/64/70/1419346470.db2.gz OONJVJBLCXEIOB-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CC1CC(C)(C)C1 ZINC001714595148 1419346471 /nfs/dbraw/zinc/34/64/71/1419346471.db2.gz OONJVJBLCXEIOB-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH2+][C@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001714816185 1419526959 /nfs/dbraw/zinc/52/69/59/1419526959.db2.gz OSZMDKBIPHWGFS-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001714982753 1419716812 /nfs/dbraw/zinc/71/68/12/1419716812.db2.gz UNYYHAYOMDQGAS-HDICACEKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001715062090 1419800608 /nfs/dbraw/zinc/80/06/08/1419800608.db2.gz GFZZIGJNRCMPKL-ROUUACIJSA-N 1 3 345.531 3.333 10 0 EGAEHO O=C(CN1CCCC1)N1CCC(CC[NH2+]CCC2CCCCC2)CC1 ZINC001715178565 1419913733 /nfs/dbraw/zinc/91/37/33/1419913733.db2.gz IVTWOWODUBYGRA-UHFFFAOYSA-N 1 3 349.563 3.271 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001715417212 1420110940 /nfs/dbraw/zinc/11/09/40/1420110940.db2.gz MJUUGIRCGSMPMQ-MJGOQNOKSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CCCC1 ZINC001715496245 1420177453 /nfs/dbraw/zinc/17/74/53/1420177453.db2.gz QTGFUDAJNXVVLW-SFHVURJKSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C)c1 ZINC001715507756 1420190907 /nfs/dbraw/zinc/19/09/07/1420190907.db2.gz RROGLLJCLAVYGG-QUCCMNQESA-N 1 3 347.547 3.435 10 0 EGAEHO CC(C)CC[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC001715657333 1420281486 /nfs/dbraw/zinc/28/14/86/1420281486.db2.gz BSNWPESKAFCEJI-ROUUACIJSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H](NC/C=C/CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916498 1420395583 /nfs/dbraw/zinc/39/55/83/1420395583.db2.gz YDEZQMYAZLTAER-REMYHPOOSA-N 1 3 347.478 3.025 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001716007932 1420461530 /nfs/dbraw/zinc/46/15/30/1420461530.db2.gz DHUUGDYJRCWMED-AOCRQIFASA-N 1 3 339.568 3.273 10 0 EGAEHO C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001716452389 1420667667 /nfs/dbraw/zinc/66/76/67/1420667667.db2.gz ATNXUXHKLLBTSH-INIZCTEOSA-N 1 3 325.541 3.029 10 0 EGAEHO C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001716494783 1420717698 /nfs/dbraw/zinc/71/76/98/1420717698.db2.gz BCQMXEYAMKSTQA-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001716494783 1420717699 /nfs/dbraw/zinc/71/76/99/1420717699.db2.gz BCQMXEYAMKSTQA-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001716511937 1420742535 /nfs/dbraw/zinc/74/25/35/1420742535.db2.gz IVSRLFKRGXYZBV-RBUKOAKNSA-N 1 3 349.563 3.482 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716651384 1420804516 /nfs/dbraw/zinc/80/45/16/1420804516.db2.gz SGUCERPPOAKRPA-HHOLJBISSA-N 1 3 347.547 3.188 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716651384 1420804521 /nfs/dbraw/zinc/80/45/21/1420804521.db2.gz SGUCERPPOAKRPA-HHOLJBISSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001716683051 1420836840 /nfs/dbraw/zinc/83/68/40/1420836840.db2.gz RDOMKSLLXQFECO-HKUYNNGSSA-N 1 3 343.515 3.169 10 0 EGAEHO CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001716716028 1420872814 /nfs/dbraw/zinc/87/28/14/1420872814.db2.gz UXFMQWDWUFWPMX-QGZVFWFLSA-N 1 3 349.563 3.220 10 0 EGAEHO CC[C@@H](C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001716716028 1420872816 /nfs/dbraw/zinc/87/28/16/1420872816.db2.gz UXFMQWDWUFWPMX-QGZVFWFLSA-N 1 3 349.563 3.220 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H](C)C2)cc1 ZINC001716770192 1420914408 /nfs/dbraw/zinc/91/44/08/1420914408.db2.gz WMKYCKYTHSRLFH-YLJYHZDGSA-N 1 3 345.531 3.058 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CCCCCF)C2)c1 ZINC001716853686 1420984866 /nfs/dbraw/zinc/98/48/66/1420984866.db2.gz GKUMQRRVSQLPDM-HXUWFJFHSA-N 1 3 349.494 3.082 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](CCCCCF)C2)c1 ZINC001716853686 1420984869 /nfs/dbraw/zinc/98/48/69/1420984869.db2.gz GKUMQRRVSQLPDM-HXUWFJFHSA-N 1 3 349.494 3.082 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CCC1)N1CCCCC1 ZINC001717149992 1421141086 /nfs/dbraw/zinc/14/10/86/1421141086.db2.gz JZSDTUVJNKDJOG-UHFFFAOYSA-N 1 3 335.536 3.070 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@H]2CCC[C@H](C)C2)CCC1 ZINC001717163444 1421153324 /nfs/dbraw/zinc/15/33/24/1421153324.db2.gz YCDHDNLQBZQHBD-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197811 1421164503 /nfs/dbraw/zinc/16/45/03/1421164503.db2.gz GKTWOMQTXVLVRO-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717197811 1421164504 /nfs/dbraw/zinc/16/45/04/1421164504.db2.gz GKTWOMQTXVLVRO-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001717422820 1421352704 /nfs/dbraw/zinc/35/27/04/1421352704.db2.gz LFTUUSHBRKBQIP-IAGOWNOFSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001717555246 1421492129 /nfs/dbraw/zinc/49/21/29/1421492129.db2.gz RRYZRQPWENHQRU-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001717670136 1421559153 /nfs/dbraw/zinc/55/91/53/1421559153.db2.gz BNHOBQSIBNNKSA-QGZVFWFLSA-N 1 3 349.563 3.316 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001717758603 1421621414 /nfs/dbraw/zinc/62/14/14/1421621414.db2.gz YGTJGFPKPLTSHC-HKUYNNGSSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001717979426 1421750611 /nfs/dbraw/zinc/75/06/11/1421750611.db2.gz AVOHMQBTDNHFCK-IAGOWNOFSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384167 1429570473 /nfs/dbraw/zinc/57/04/73/1429570473.db2.gz RXSOEQDENUQHPW-KXBFYZLASA-N 1 3 349.494 3.103 10 0 EGAEHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1)N1CCCCC1 ZINC001722939603 1424266780 /nfs/dbraw/zinc/26/67/80/1424266780.db2.gz NCXXUQXEIYKOKH-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723854404 1424585650 /nfs/dbraw/zinc/58/56/50/1424585650.db2.gz AWDVEQLGWHDKGL-SJLPKXTDSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001724615262 1424961872 /nfs/dbraw/zinc/96/18/72/1424961872.db2.gz YKUJSPHWMGWUEY-REPLKXPHSA-N 1 3 347.547 3.186 10 0 EGAEHO CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001724615262 1424961875 /nfs/dbraw/zinc/96/18/75/1424961875.db2.gz YKUJSPHWMGWUEY-REPLKXPHSA-N 1 3 347.547 3.186 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001724711653 1425067641 /nfs/dbraw/zinc/06/76/41/1425067641.db2.gz HKBXWSIUOGUPCC-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001724741227 1425106115 /nfs/dbraw/zinc/10/61/15/1425106115.db2.gz NUSYYRQGIDJZDH-IAGOWNOFSA-N 1 3 331.504 3.017 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001724741227 1425106116 /nfs/dbraw/zinc/10/61/16/1425106116.db2.gz NUSYYRQGIDJZDH-IAGOWNOFSA-N 1 3 331.504 3.017 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001724839979 1425189269 /nfs/dbraw/zinc/18/92/69/1425189269.db2.gz VPSSODOFAAWNLY-DSQZMVHQSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001724839979 1425189271 /nfs/dbraw/zinc/18/92/71/1425189271.db2.gz VPSSODOFAAWNLY-DSQZMVHQSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001725334233 1425978919 /nfs/dbraw/zinc/97/89/19/1425978919.db2.gz LXYGGNQRAAWUBM-OTWHNJEPSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001725334233 1425978924 /nfs/dbraw/zinc/97/89/24/1425978924.db2.gz LXYGGNQRAAWUBM-OTWHNJEPSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001725334229 1425979339 /nfs/dbraw/zinc/97/93/39/1425979339.db2.gz LXYGGNQRAAWUBM-IPMKNSEASA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001725334229 1425979341 /nfs/dbraw/zinc/97/93/41/1425979341.db2.gz LXYGGNQRAAWUBM-IPMKNSEASA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C)c1 ZINC001725755713 1426434979 /nfs/dbraw/zinc/43/49/79/1426434979.db2.gz GFXVNLPRSBVHAX-IBGZPJMESA-N 1 3 347.547 3.264 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001725830870 1426508881 /nfs/dbraw/zinc/50/88/81/1426508881.db2.gz WSJDWKUSOAUNNL-QZTJIDSGSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001725830870 1426508883 /nfs/dbraw/zinc/50/88/83/1426508883.db2.gz WSJDWKUSOAUNNL-QZTJIDSGSA-N 1 3 347.547 3.188 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cs1 ZINC001731248020 1427201484 /nfs/dbraw/zinc/20/14/84/1427201484.db2.gz IPRYMYRZOKWFSY-MSOLQXFVSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN(C)CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cs1 ZINC001731248020 1427201488 /nfs/dbraw/zinc/20/14/88/1427201488.db2.gz IPRYMYRZOKWFSY-MSOLQXFVSA-N 1 3 349.544 3.012 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(Cc1ccsc1)C1CC1 ZINC001731333147 1427271974 /nfs/dbraw/zinc/27/19/74/1427271974.db2.gz GRPIRECGQYDNLE-GOSISDBHSA-N 1 3 349.544 3.092 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(Cc1ccsc1)C1CC1 ZINC001731333147 1427271978 /nfs/dbraw/zinc/27/19/78/1427271978.db2.gz GRPIRECGQYDNLE-GOSISDBHSA-N 1 3 349.544 3.092 10 0 EGAEHO CC(C)(C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)N1CCCCC1 ZINC001731391319 1427344244 /nfs/dbraw/zinc/34/42/44/1427344244.db2.gz FRLRAAAWKJSOCV-IBGZPJMESA-N 1 3 347.547 3.236 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1F ZINC001731486200 1427460399 /nfs/dbraw/zinc/46/03/99/1427460399.db2.gz KJLCFBLGQWGHQZ-HRCADAONSA-N 1 3 349.494 3.101 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001731573940 1427617076 /nfs/dbraw/zinc/61/70/76/1427617076.db2.gz UOUNLNSWUVKKOK-QLOJAFMTSA-N 1 3 343.515 3.031 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)N2CCCCCC2)c(C)c1 ZINC001731621431 1427672215 /nfs/dbraw/zinc/67/22/15/1427672215.db2.gz DAYJGIFOBJGEDX-MOPGFXCFSA-N 1 3 345.531 3.162 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688283 1427736071 /nfs/dbraw/zinc/73/60/71/1427736071.db2.gz XNXZOPZMRUNSNJ-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731712468 1427772437 /nfs/dbraw/zinc/77/24/37/1427772437.db2.gz RKJAVJMWONSDCA-GOSISDBHSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731712468 1427772441 /nfs/dbraw/zinc/77/24/41/1427772441.db2.gz RKJAVJMWONSDCA-GOSISDBHSA-N 1 3 339.568 3.323 10 0 EGAEHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001733861581 1437691018 /nfs/dbraw/zinc/69/10/18/1437691018.db2.gz OZYYYVANUWYFHW-APWZRJJASA-N 1 3 345.531 3.235 10 0 EGAEHO CCCc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001734453665 1438111199 /nfs/dbraw/zinc/11/11/99/1438111199.db2.gz AVQQZINFYBFEGD-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001734637611 1438196569 /nfs/dbraw/zinc/19/65/69/1438196569.db2.gz YWIAARIYBNTSIB-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001734637611 1438196572 /nfs/dbraw/zinc/19/65/72/1438196572.db2.gz YWIAARIYBNTSIB-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO COc1ccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1NC(C)=O ZINC000183949845 235268715 /nfs/dbraw/zinc/26/87/15/235268715.db2.gz FPWYFWNAYTUQHT-OAHLLOKOSA-N 1 3 347.503 3.426 10 0 EGAEHO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000230099121 242231055 /nfs/dbraw/zinc/23/10/55/242231055.db2.gz BYGIPVHXBIQZRN-CEWLAPEOSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230099121 242231058 /nfs/dbraw/zinc/23/10/58/242231058.db2.gz BYGIPVHXBIQZRN-CEWLAPEOSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230099121 242231062 /nfs/dbraw/zinc/23/10/62/242231062.db2.gz BYGIPVHXBIQZRN-CEWLAPEOSA-N 1 3 339.483 3.334 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[C@@H](C)O1 ZINC000175982747 207180214 /nfs/dbraw/zinc/18/02/14/207180214.db2.gz YAIKAUGNFIUNRB-IAGOWNOFSA-N 1 3 342.487 3.056 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000268878493 252327051 /nfs/dbraw/zinc/32/70/51/252327051.db2.gz WZWKNYLINOADDZ-NRSPTQNISA-N 1 3 329.532 3.219 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000347904954 141213408 /nfs/dbraw/zinc/21/34/08/141213408.db2.gz XWYXUMWFMSWGCV-HXUWFJFHSA-N 1 3 343.515 3.227 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000347904954 141213411 /nfs/dbraw/zinc/21/34/11/141213411.db2.gz XWYXUMWFMSWGCV-HXUWFJFHSA-N 1 3 343.515 3.227 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000165999297 286443152 /nfs/dbraw/zinc/44/31/52/286443152.db2.gz KPCUSVIOECGDFL-MJGOQNOKSA-N 1 3 334.504 3.464 10 0 EGAEHO CCN(CCn1ccnc1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000346278005 164364209 /nfs/dbraw/zinc/36/42/09/164364209.db2.gz NSZLWXJKWURKNA-YLJYHZDGSA-N 1 3 326.488 3.349 10 0 EGAEHO CCN(CCn1ccnc1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000346278005 164364211 /nfs/dbraw/zinc/36/42/11/164364211.db2.gz NSZLWXJKWURKNA-YLJYHZDGSA-N 1 3 326.488 3.349 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccc(OCCOC)cc2)CC1 ZINC000350174904 165015120 /nfs/dbraw/zinc/01/51/20/165015120.db2.gz DUABOOHBLLTNCG-UHFFFAOYSA-N 1 3 334.504 3.266 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000352049819 165209671 /nfs/dbraw/zinc/20/96/71/165209671.db2.gz TUNSEEARURYKOF-YZGWKJHDSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000352049819 165209675 /nfs/dbraw/zinc/20/96/75/165209675.db2.gz TUNSEEARURYKOF-YZGWKJHDSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CN1CCCCC1 ZINC000352163633 165264863 /nfs/dbraw/zinc/26/48/63/165264863.db2.gz FKGHKHVUFMWMAW-QGZVFWFLSA-N 1 3 326.488 3.299 10 0 EGAEHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000282193377 275610350 /nfs/dbraw/zinc/61/03/50/275610350.db2.gz NKRIQHXYKBAGPG-NRSPTQNISA-N 1 3 328.500 3.312 10 0 EGAEHO CCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368454723 276060281 /nfs/dbraw/zinc/06/02/81/276060281.db2.gz VNXIVFICQKHXCL-YLJYHZDGSA-N 1 3 343.515 3.060 10 0 EGAEHO CCN1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482723 276216746 /nfs/dbraw/zinc/21/67/46/276216746.db2.gz HGXVBNTWAUGRRR-YJNKEBTESA-N 1 3 347.469 3.112 10 0 EGAEHO CN1CCC(C[NH2+][C@@H]2CCc3c2cccc3F)(N2CCCCC2)CC1 ZINC000338238871 276885529 /nfs/dbraw/zinc/88/55/29/276885529.db2.gz QEPRAJDXXJSTJR-HXUWFJFHSA-N 1 3 345.506 3.353 10 0 EGAEHO CN(c1ccccc1CNC[C@H]1CCC(C)(C)O1)C1CC[NH+](C)CC1 ZINC000189718451 277003059 /nfs/dbraw/zinc/00/30/59/277003059.db2.gz IPFJWWMKKYQQPO-LJQANCHMSA-N 1 3 345.531 3.264 10 0 EGAEHO C[C@@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133239 278341647 /nfs/dbraw/zinc/34/16/47/278341647.db2.gz IUDFPGSLURNEHB-DYESRHJHSA-N 1 3 339.483 3.178 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133239 278341649 /nfs/dbraw/zinc/34/16/49/278341649.db2.gz IUDFPGSLURNEHB-DYESRHJHSA-N 1 3 339.483 3.178 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1)C(C)C ZINC000247378793 279235855 /nfs/dbraw/zinc/23/58/55/279235855.db2.gz PQVIUWVEUMIYMS-XLIONFOSSA-N 1 3 345.531 3.375 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1)C(C)C ZINC000247378793 279235856 /nfs/dbraw/zinc/23/58/56/279235856.db2.gz PQVIUWVEUMIYMS-XLIONFOSSA-N 1 3 345.531 3.375 10 0 EGAEHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414303597 309071657 /nfs/dbraw/zinc/07/16/57/309071657.db2.gz LSBNBPRNHBZYKI-AABGKKOBSA-N 1 3 328.500 3.182 10 0 EGAEHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000248417687 308002503 /nfs/dbraw/zinc/00/25/03/308002503.db2.gz RNZVRTQSQRGFDR-UAFMIMERSA-N 1 3 328.500 3.444 10 0 EGAEHO COc1cccc(NC(=O)C[C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414810270 309103046 /nfs/dbraw/zinc/10/30/46/309103046.db2.gz HRIFSFGECWZPKX-HUUCEWRRSA-N 1 3 341.455 3.222 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945387 309110624 /nfs/dbraw/zinc/11/06/24/309110624.db2.gz RKZOSMMISGKMBD-OUCADQQQSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414945387 309110625 /nfs/dbraw/zinc/11/06/25/309110625.db2.gz RKZOSMMISGKMBD-OUCADQQQSA-N 1 3 343.393 3.010 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415057076 309117105 /nfs/dbraw/zinc/11/71/05/309117105.db2.gz TVJBWXVGAXHEQX-VDZJLULYSA-N 1 3 334.479 3.477 10 0 EGAEHO CNCc1ccccc1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415894941 309146612 /nfs/dbraw/zinc/14/66/12/309146612.db2.gz AMFKEKFQQCNOEG-IYBDPMFKSA-N 1 3 346.519 3.284 10 0 EGAEHO CNCc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415894941 309146613 /nfs/dbraw/zinc/14/66/13/309146613.db2.gz AMFKEKFQQCNOEG-IYBDPMFKSA-N 1 3 346.519 3.284 10 0 EGAEHO COCc1cccc(OCC2(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)CCC2)c1 ZINC000420406375 309286928 /nfs/dbraw/zinc/28/69/28/309286928.db2.gz NUVWQHJXUYRTON-MJGOQNOKSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](C)[C@@H](CN)C3)CCC2)c1 ZINC000420406375 309286929 /nfs/dbraw/zinc/28/69/29/309286929.db2.gz NUVWQHJXUYRTON-MJGOQNOKSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@H+]3CC[C@@H](C)[C@@H](CN)C3)CCC2)c1 ZINC000420406375 309286930 /nfs/dbraw/zinc/28/69/30/309286930.db2.gz NUVWQHJXUYRTON-MJGOQNOKSA-N 1 3 346.515 3.299 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1F ZINC000422743379 309366311 /nfs/dbraw/zinc/36/63/11/309366311.db2.gz IKKJEUYDWPQCTN-YZGWKJHDSA-N 1 3 333.495 3.288 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cnccc1N ZINC000422833447 309370835 /nfs/dbraw/zinc/37/08/35/309370835.db2.gz GWTXBPQLARHAGI-LSDHHAIUSA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833447 309370836 /nfs/dbraw/zinc/37/08/36/309370836.db2.gz GWTXBPQLARHAGI-LSDHHAIUSA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833447 309370837 /nfs/dbraw/zinc/37/08/37/309370837.db2.gz GWTXBPQLARHAGI-LSDHHAIUSA-N 1 3 330.501 3.118 10 0 EGAEHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866358 309372668 /nfs/dbraw/zinc/37/26/68/309372668.db2.gz QGFZBZJQSGZPCZ-RZAIGCCYSA-N 1 3 329.394 3.278 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccnc(N2CCCCC2)c1 ZINC000422894942 309374703 /nfs/dbraw/zinc/37/47/03/309374703.db2.gz DPEJJSSSQJFUIQ-HNNXBMFYSA-N 1 3 339.487 3.085 10 0 EGAEHO COc1ccc(C)cc1C1(CN[C@@H]2CCCCC[C@H]2[NH3+])CCOCC1 ZINC000422895722 309374804 /nfs/dbraw/zinc/37/48/04/309374804.db2.gz GKFFYHURCIAVSO-RTBURBONSA-N 1 3 346.515 3.301 10 0 EGAEHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000422930678 309376543 /nfs/dbraw/zinc/37/65/43/309376543.db2.gz VLZBZCZTYXFFDE-FXAWDEMLSA-N 1 3 343.515 3.192 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCCCC1 ZINC000422935435 309376963 /nfs/dbraw/zinc/37/69/63/309376963.db2.gz AKCPKDFKCIRWPL-UYAOXDASSA-N 1 3 330.472 3.181 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000423009806 309380747 /nfs/dbraw/zinc/38/07/47/309380747.db2.gz DZFMFJSEJRSXIA-CEWLAPEOSA-N 1 3 335.451 3.378 10 0 EGAEHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096997 309385754 /nfs/dbraw/zinc/38/57/54/309385754.db2.gz QFVWYJNRBSQCSG-WSIUPNEHSA-N 1 3 334.891 3.333 10 0 EGAEHO COc1ccccc1NC(=O)C[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423293662 309394250 /nfs/dbraw/zinc/39/42/50/309394250.db2.gz RWACETWYXGXVIA-GJZGRUSLSA-N 1 3 341.455 3.222 10 0 EGAEHO c1ccc(-c2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cn2)nc1 ZINC000425407436 309478608 /nfs/dbraw/zinc/47/86/08/309478608.db2.gz PIAFORKGUWZZHX-UHFFFAOYSA-N 1 3 336.483 3.451 10 0 EGAEHO C[C@H](CC[S@](C)=O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449184273 310042849 /nfs/dbraw/zinc/04/28/49/310042849.db2.gz HDSCWKPDMMVQMI-QRQCRPRQSA-N 1 3 330.582 3.412 10 0 EGAEHO C[C@@H](CCS(C)(=O)=O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449186121 310043012 /nfs/dbraw/zinc/04/30/12/310043012.db2.gz HMVVXCMTHCLHMS-HNNXBMFYSA-N 1 3 346.581 3.078 10 0 EGAEHO CCN1CCN(CCC[NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474894591 310801041 /nfs/dbraw/zinc/80/10/41/310801041.db2.gz SSIISKMFBUNCAW-NRFANRHFSA-N 1 3 331.548 3.434 10 0 EGAEHO CN(C)CCNC(=O)c1cccc(C[NH2+]CCCC2CCCCC2)c1 ZINC000561953280 315791074 /nfs/dbraw/zinc/79/10/74/315791074.db2.gz OQVSVGZNJQHHHK-UHFFFAOYSA-N 1 3 345.531 3.428 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000563931188 316091798 /nfs/dbraw/zinc/09/17/98/316091798.db2.gz NETHZYOGISFLOJ-IBGZPJMESA-N 1 3 345.531 3.278 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000563931188 316091800 /nfs/dbraw/zinc/09/18/00/316091800.db2.gz NETHZYOGISFLOJ-IBGZPJMESA-N 1 3 345.531 3.278 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000384069186 324258566 /nfs/dbraw/zinc/25/85/66/324258566.db2.gz UYQGEHADFWPESU-PWRODBHTSA-N 1 3 328.500 3.303 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000579730831 325152100 /nfs/dbraw/zinc/15/21/00/325152100.db2.gz WHNSHPBGTQBYKI-SFHVURJKSA-N 1 3 343.515 3.021 10 0 EGAEHO COc1cc(Br)ccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459798849 458481638 /nfs/dbraw/zinc/48/16/38/458481638.db2.gz YCMLXJXDVUMWQT-CYBMUJFWSA-N 1 3 341.293 3.279 10 0 EGAEHO COc1cc(Br)ccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459798849 458481641 /nfs/dbraw/zinc/48/16/41/458481641.db2.gz YCMLXJXDVUMWQT-CYBMUJFWSA-N 1 3 341.293 3.279 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000241965684 455270475 /nfs/dbraw/zinc/27/04/75/455270475.db2.gz UUYSRAQLRODBNB-UYPUKZBLSA-N 1 3 328.500 3.443 10 0 EGAEHO C[NH+](C)[C@H]1C[C@@H](CNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623560396 460612383 /nfs/dbraw/zinc/61/23/83/460612383.db2.gz DRKXYSSOIRKBRA-BJHJDKERSA-N 1 3 334.357 3.197 10 0 EGAEHO CC(C)CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000048308675 454471521 /nfs/dbraw/zinc/47/15/21/454471521.db2.gz IHCDQQFVRCVTQF-FQEVSTJZSA-N 1 3 345.531 3.135 10 0 EGAEHO CC(C)CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000048308675 454471528 /nfs/dbraw/zinc/47/15/28/454471528.db2.gz IHCDQQFVRCVTQF-FQEVSTJZSA-N 1 3 345.531 3.135 10 0 EGAEHO COc1cc(Br)ccc1CN(C)CC1CC[NH+](C)CC1 ZINC000182160180 455449441 /nfs/dbraw/zinc/44/94/41/455449441.db2.gz AKIHSKHGILSFSW-UHFFFAOYSA-N 1 3 341.293 3.231 10 0 EGAEHO CCC[C@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000162370912 454771007 /nfs/dbraw/zinc/77/10/07/454771007.db2.gz OVSKHBACKXAWAN-VQTJNVASSA-N 1 3 345.531 3.087 10 0 EGAEHO CCC[C@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000162370912 454771008 /nfs/dbraw/zinc/77/10/08/454771008.db2.gz OVSKHBACKXAWAN-VQTJNVASSA-N 1 3 345.531 3.087 10 0 EGAEHO C[C@@](O)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000112526013 454889015 /nfs/dbraw/zinc/88/90/15/454889015.db2.gz GSOLGGOVRHIIAR-JOCHJYFZSA-N 1 3 338.495 3.191 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000154957853 454947514 /nfs/dbraw/zinc/94/75/14/454947514.db2.gz FYEZZPRWKMDJMN-VNQPRFMTSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000154957853 454947518 /nfs/dbraw/zinc/94/75/18/454947518.db2.gz FYEZZPRWKMDJMN-VNQPRFMTSA-N 1 3 344.421 3.023 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](NCCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157222133 455174910 /nfs/dbraw/zinc/17/49/10/455174910.db2.gz VGYAZGOETIEMGJ-BEFAXECRSA-N 1 3 340.458 3.234 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](NCCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157222133 455174914 /nfs/dbraw/zinc/17/49/14/455174914.db2.gz VGYAZGOETIEMGJ-BEFAXECRSA-N 1 3 340.458 3.234 10 0 EGAEHO Cc1cccc2c1[nH+]cc(C)c2N1CCC(CN2CCOCC2)CC1 ZINC000185275237 455532970 /nfs/dbraw/zinc/53/29/70/455532970.db2.gz JNHBAAFFXDCCFE-UHFFFAOYSA-N 1 3 339.483 3.400 10 0 EGAEHO CN(C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000192589553 455646859 /nfs/dbraw/zinc/64/68/59/455646859.db2.gz SAPBCHPJPTVNHX-IHWFROFDSA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@](C)(O)c1cccs1 ZINC000269052876 455777422 /nfs/dbraw/zinc/77/74/22/455777422.db2.gz RNXKPUALALHIOC-POAQFYNOSA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@](C)(O)c1cccs1 ZINC000269052876 455777427 /nfs/dbraw/zinc/77/74/27/455777427.db2.gz RNXKPUALALHIOC-POAQFYNOSA-N 1 3 344.524 3.456 10 0 EGAEHO COc1cc(CCC2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc(OC)c1 ZINC000261898232 455967308 /nfs/dbraw/zinc/96/73/08/455967308.db2.gz VJYQHLGVAOYHNV-NRFANRHFSA-N 1 3 346.515 3.348 10 0 EGAEHO Cc1cccc2c(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)ccnc12 ZINC000301695439 456189876 /nfs/dbraw/zinc/18/98/76/456189876.db2.gz YKNOQJOURQGNPQ-GOSISDBHSA-N 1 3 338.499 3.150 10 0 EGAEHO Cc1cccc2c(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)ccnc12 ZINC000301695439 456189885 /nfs/dbraw/zinc/18/98/85/456189885.db2.gz YKNOQJOURQGNPQ-GOSISDBHSA-N 1 3 338.499 3.150 10 0 EGAEHO Cc1ccc2nccc(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000302149945 456301045 /nfs/dbraw/zinc/30/10/45/456301045.db2.gz JWOVSFCJPKIBOG-GOSISDBHSA-N 1 3 338.499 3.150 10 0 EGAEHO Cc1ccc2nccc(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000302149945 456301053 /nfs/dbraw/zinc/30/10/53/456301053.db2.gz JWOVSFCJPKIBOG-GOSISDBHSA-N 1 3 338.499 3.150 10 0 EGAEHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340377042 456423776 /nfs/dbraw/zinc/42/37/76/456423776.db2.gz JSZPIFHXAKWIOA-CTNGQTDRSA-N 1 3 345.531 3.450 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[C@H]21 ZINC000340467735 456477755 /nfs/dbraw/zinc/47/77/55/456477755.db2.gz TXPLVKKMVIQNCL-HRCADAONSA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[C@H]21 ZINC000340467735 456477758 /nfs/dbraw/zinc/47/77/58/456477758.db2.gz TXPLVKKMVIQNCL-HRCADAONSA-N 1 3 327.394 3.105 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CCN1C ZINC000658320039 462476672 /nfs/dbraw/zinc/47/66/72/462476672.db2.gz MLZCUWRJMQQBQT-HMXCVIKNSA-N 1 3 341.543 3.361 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CN1Cc1ccccc1 ZINC000353396009 456672342 /nfs/dbraw/zinc/67/23/42/456672342.db2.gz SOJXKGWWSSPIRE-OBJCFNGXSA-N 1 3 327.516 3.112 10 0 EGAEHO Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000353525323 456736259 /nfs/dbraw/zinc/73/62/59/456736259.db2.gz YGFDOSUNAJBHQI-SFHVURJKSA-N 1 3 338.499 3.251 10 0 EGAEHO Cn1nccc1-c1ccccc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000353525323 456736264 /nfs/dbraw/zinc/73/62/64/456736264.db2.gz YGFDOSUNAJBHQI-SFHVURJKSA-N 1 3 338.499 3.251 10 0 EGAEHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000354206418 457130334 /nfs/dbraw/zinc/13/03/34/457130334.db2.gz JVIDJEQSLSWMEH-MISYRCLQSA-N 1 3 328.500 3.161 10 0 EGAEHO C[C@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347385085 457394162 /nfs/dbraw/zinc/39/41/62/457394162.db2.gz ZRINQQAHYSGLMV-TYGFWLQKSA-N 1 3 336.483 3.193 10 0 EGAEHO C[C@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347385085 457394166 /nfs/dbraw/zinc/39/41/66/457394166.db2.gz ZRINQQAHYSGLMV-TYGFWLQKSA-N 1 3 336.483 3.193 10 0 EGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390867969 457447684 /nfs/dbraw/zinc/44/76/84/457447684.db2.gz NPQDGOPZYPZXQW-QNXAMLQOSA-N 1 3 327.516 3.289 10 0 EGAEHO COCC[N@H+](C)CCCC1CCN(Cc2cncn2C(C)C)CC1 ZINC000425338492 457504653 /nfs/dbraw/zinc/50/46/53/457504653.db2.gz PUKVKKILRRXWNL-UHFFFAOYSA-N 1 3 336.524 3.034 10 0 EGAEHO COCC[N@@H+](C)CCCC1CCN(Cc2cncn2C(C)C)CC1 ZINC000425338492 457504663 /nfs/dbraw/zinc/50/46/63/457504663.db2.gz PUKVKKILRRXWNL-UHFFFAOYSA-N 1 3 336.524 3.034 10 0 EGAEHO Cc1cncc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000402708679 457533081 /nfs/dbraw/zinc/53/30/81/457533081.db2.gz QZSPUFSOXINHPG-SEJPIABJSA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1cncc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000402708679 457533083 /nfs/dbraw/zinc/53/30/83/457533083.db2.gz QZSPUFSOXINHPG-SEJPIABJSA-N 1 3 336.483 3.113 10 0 EGAEHO CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1c1ccccc1 ZINC000426977605 457931845 /nfs/dbraw/zinc/93/18/45/457931845.db2.gz LYMPRCDAKCSRTB-RTBURBONSA-N 1 3 343.515 3.060 10 0 EGAEHO CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1c1ccccc1 ZINC000426977603 457932729 /nfs/dbraw/zinc/93/27/29/457932729.db2.gz LYMPRCDAKCSRTB-OALUTQOASA-N 1 3 343.515 3.060 10 0 EGAEHO COc1cccc(CC[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000358770615 458206238 /nfs/dbraw/zinc/20/62/38/458206238.db2.gz JKMRPOVHOYBJPD-LPHOPBHVSA-N 1 3 331.504 3.265 10 0 EGAEHO CN1CCC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439470 458371366 /nfs/dbraw/zinc/37/13/66/458371366.db2.gz TZTXAXCOOOEXNW-KXBFYZLASA-N 1 3 333.545 3.347 10 0 EGAEHO Cc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)N(C)C)cc1 ZINC000460199714 458505000 /nfs/dbraw/zinc/50/50/00/458505000.db2.gz DVSHWVOVLZLHSL-IBGZPJMESA-N 1 3 345.531 3.226 10 0 EGAEHO CCc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000431556765 458587379 /nfs/dbraw/zinc/58/73/79/458587379.db2.gz MFKIOPAAFROJHQ-WOJBJXKFSA-N 1 3 345.531 3.232 10 0 EGAEHO CCc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000431556765 458587384 /nfs/dbraw/zinc/58/73/84/458587384.db2.gz MFKIOPAAFROJHQ-WOJBJXKFSA-N 1 3 345.531 3.232 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]C2CC(OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000493977334 458608588 /nfs/dbraw/zinc/60/85/88/458608588.db2.gz NGSIAXWUUXAPCP-IGBVOLGGSA-N 1 3 346.515 3.213 10 0 EGAEHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000424372794 458627262 /nfs/dbraw/zinc/62/72/62/458627262.db2.gz IKCCZTWAKCGCLQ-MGPQQGTHSA-N 1 3 327.241 3.435 10 0 EGAEHO O=C(CC[NH2+]C1CC(N2CCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000576936450 458950336 /nfs/dbraw/zinc/95/03/36/458950336.db2.gz HPMGIRISOXEUGZ-UHFFFAOYSA-N 1 3 335.879 3.275 10 0 EGAEHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000556920975 459032511 /nfs/dbraw/zinc/03/25/11/459032511.db2.gz RNXIUZQYFBQDPQ-HLAWJBBLSA-N 1 3 329.532 3.361 10 0 EGAEHO CC[NH+](CC)CC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532478732 459096936 /nfs/dbraw/zinc/09/69/36/459096936.db2.gz JGTODVXGCUWMMY-UHFFFAOYSA-N 1 3 344.503 3.186 10 0 EGAEHO C[C@@H]([NH2+]C1(CN[C@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812912 459097768 /nfs/dbraw/zinc/09/77/68/459097768.db2.gz AWNRUORZZJAXQN-AEFFLSMTSA-N 1 3 343.515 3.297 10 0 EGAEHO c1nc2cc(C[NH2+]C3CCN(CCc4ccccc4)CC3)ccc2[nH]1 ZINC000523107086 459279882 /nfs/dbraw/zinc/27/98/82/459279882.db2.gz GYAMGHQUELIVON-UHFFFAOYSA-N 1 3 334.467 3.360 10 0 EGAEHO c1nc2ccc(C[NH2+]C3CCN(CCc4ccccc4)CC3)cc2[nH]1 ZINC000523107086 459279885 /nfs/dbraw/zinc/27/98/85/459279885.db2.gz GYAMGHQUELIVON-UHFFFAOYSA-N 1 3 334.467 3.360 10 0 EGAEHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000560531868 459367540 /nfs/dbraw/zinc/36/75/40/459367540.db2.gz FWQYRBIEWUCNLC-NCYKPQTJSA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000560531868 459367543 /nfs/dbraw/zinc/36/75/43/459367543.db2.gz FWQYRBIEWUCNLC-NCYKPQTJSA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000560531868 459367545 /nfs/dbraw/zinc/36/75/45/459367545.db2.gz FWQYRBIEWUCNLC-NCYKPQTJSA-N 1 3 329.532 3.314 10 0 EGAEHO CN1CCC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409321 459730353 /nfs/dbraw/zinc/73/03/53/459730353.db2.gz BRSHGXKKXBRVBF-VQTJNVASSA-N 1 3 327.516 3.115 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1nc(-c2ccccc2)no1 ZINC000573858702 459746578 /nfs/dbraw/zinc/74/65/78/459746578.db2.gz SNMKMHZDIDVGHU-DDBAPUKQSA-N 1 3 340.471 3.303 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1nc(-c2ccccc2)no1 ZINC000573858702 459746583 /nfs/dbraw/zinc/74/65/83/459746583.db2.gz SNMKMHZDIDVGHU-DDBAPUKQSA-N 1 3 340.471 3.303 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917836 459772423 /nfs/dbraw/zinc/77/24/23/459772423.db2.gz UWKQNLVFFDPILA-DLBZAZTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527917836 459772426 /nfs/dbraw/zinc/77/24/26/459772426.db2.gz UWKQNLVFFDPILA-DLBZAZTESA-N 1 3 326.488 3.470 10 0 EGAEHO CCOC(=O)c1[nH]c(C)c(CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000600108593 460384862 /nfs/dbraw/zinc/38/48/62/460384862.db2.gz CWUUIDODJOZLDJ-UHFFFAOYSA-N 1 3 347.503 3.116 10 0 EGAEHO CC[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347943 460502685 /nfs/dbraw/zinc/50/26/85/460502685.db2.gz MOYQGRSRMUQEQX-UXHICEINSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347943 460502691 /nfs/dbraw/zinc/50/26/91/460502691.db2.gz MOYQGRSRMUQEQX-UXHICEINSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347943 460502695 /nfs/dbraw/zinc/50/26/95/460502695.db2.gz MOYQGRSRMUQEQX-UXHICEINSA-N 1 3 329.532 3.286 10 0 EGAEHO COc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1Br ZINC000623394409 460525769 /nfs/dbraw/zinc/52/57/69/460525769.db2.gz DPAABZJJMOJZAZ-ZDUSSCGKSA-N 1 3 341.293 3.420 10 0 EGAEHO Cc1nc(-c2cc([C@@H](C)NCCOCCC[NH3+])cs2)cs1 ZINC000629542354 460801172 /nfs/dbraw/zinc/80/11/72/460801172.db2.gz YQOSKSODBQDMDD-LLVKDONJSA-N 1 3 325.503 3.196 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCCCO1 ZINC000623979640 460807977 /nfs/dbraw/zinc/80/79/77/460807977.db2.gz HVWDVSMYDYGTLO-UZLBHIALSA-N 1 3 332.488 3.207 10 0 EGAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CO[C@@H](C4CC4)C2)C3)cc1 ZINC000624223408 460918175 /nfs/dbraw/zinc/91/81/75/460918175.db2.gz TVANRMHCQVMLAT-YMQHIKHWSA-N 1 3 326.484 3.339 10 0 EGAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CO[C@@H](C4CC4)C2)C3)cc1 ZINC000624223408 460918180 /nfs/dbraw/zinc/91/81/80/460918180.db2.gz TVANRMHCQVMLAT-YMQHIKHWSA-N 1 3 326.484 3.339 10 0 EGAEHO NC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC12CCOCC2 ZINC000662272397 461158857 /nfs/dbraw/zinc/15/88/57/461158857.db2.gz FTYPGZXVPIQPIW-MISYRCLQSA-N 1 3 328.500 3.258 10 0 EGAEHO NC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC12CCOCC2 ZINC000662272397 461158858 /nfs/dbraw/zinc/15/88/58/461158858.db2.gz FTYPGZXVPIQPIW-MISYRCLQSA-N 1 3 328.500 3.258 10 0 EGAEHO C[C@@H]1CC2(CN1Cc1cccc(F)c1OC(F)F)CC[NH2+]CC2 ZINC000662283863 461165802 /nfs/dbraw/zinc/16/58/02/461165802.db2.gz QTQKAYVSVXSLQZ-GFCCVEGCSA-N 1 3 328.378 3.391 10 0 EGAEHO CCN(C(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662297203 461175338 /nfs/dbraw/zinc/17/53/38/461175338.db2.gz OIIYZOJTHMKDKQ-IEBWSBKVSA-N 1 3 343.515 3.140 10 0 EGAEHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298706 461177814 /nfs/dbraw/zinc/17/78/14/461177814.db2.gz XFXBWYZUXOFCFA-IEBWSBKVSA-N 1 3 343.515 3.342 10 0 EGAEHO CN(C)CCN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C1CCCC1 ZINC000659316132 461289536 /nfs/dbraw/zinc/28/95/36/461289536.db2.gz AQWDTIPNMFRDJW-GOSISDBHSA-N 1 3 343.515 3.012 10 0 EGAEHO CN(C)CCN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C1CCCC1 ZINC000659316133 461289616 /nfs/dbraw/zinc/28/96/16/461289616.db2.gz AQWDTIPNMFRDJW-SFHVURJKSA-N 1 3 343.515 3.012 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)C1 ZINC000668489101 461302751 /nfs/dbraw/zinc/30/27/51/461302751.db2.gz BRZUUEIUTPJNOE-YPAWHYETSA-N 1 3 336.479 3.147 10 0 EGAEHO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CCCN3CCCCC3)CC2)n1 ZINC000649780198 461344896 /nfs/dbraw/zinc/34/48/96/461344896.db2.gz YHWOBCGUWZISFB-SJLPKXTDSA-N 1 3 346.519 3.324 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000646694125 461373090 /nfs/dbraw/zinc/37/30/90/461373090.db2.gz ZHTKOXZVHDIFMY-RBUKOAKNSA-N 1 3 331.504 3.191 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000646694125 461373099 /nfs/dbraw/zinc/37/30/99/461373099.db2.gz ZHTKOXZVHDIFMY-RBUKOAKNSA-N 1 3 331.504 3.191 10 0 EGAEHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000655710674 461380965 /nfs/dbraw/zinc/38/09/65/461380965.db2.gz CDPDQKWQINUYLS-MAUKXSAKSA-N 1 3 334.529 3.017 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCCc3c(F)cccc3F)C2)C1 ZINC000655939481 461547213 /nfs/dbraw/zinc/54/72/13/461547213.db2.gz IASSVMUTRNRJIP-KHYOSLBOSA-N 1 3 338.442 3.116 10 0 EGAEHO Cc1ccc(NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000663503939 461675891 /nfs/dbraw/zinc/67/58/91/461675891.db2.gz VGQFRZHOCYOJGT-UKRRQHHQSA-N 1 3 325.884 3.329 10 0 EGAEHO Cc1ccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663503114 461676553 /nfs/dbraw/zinc/67/65/53/461676553.db2.gz OBJGXFZWJPQCBM-XJKSGUPXSA-N 1 3 325.884 3.329 10 0 EGAEHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479366 461723960 /nfs/dbraw/zinc/72/39/60/461723960.db2.gz DMJFOLVUZJNDBC-NQIIRXRSSA-N 1 3 338.499 3.360 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479404 461725284 /nfs/dbraw/zinc/72/52/84/461725284.db2.gz GDFDJAARDWJIMN-KVSKMBFKSA-N 1 3 334.479 3.477 10 0 EGAEHO Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)n1 ZINC000643466207 461737000 /nfs/dbraw/zinc/73/70/00/461737000.db2.gz CWLGKAOEOJAGDI-NHHFINERSA-N 1 3 332.492 3.305 10 0 EGAEHO CCn1c2ccccc2nc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544395 461759480 /nfs/dbraw/zinc/75/94/80/461759480.db2.gz ZRMACMWKOJIQIZ-SJORKVTESA-N 1 3 326.488 3.268 10 0 EGAEHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[C@@H]1CSc2ccccc2O1 ZINC000647801261 461843330 /nfs/dbraw/zinc/84/33/30/461843330.db2.gz SZTYOCHKHBZSCK-CGTJXYLNSA-N 1 3 342.508 3.478 10 0 EGAEHO Cc1ccc(OCc2nc(CNCCC3(C[NH3+])CC3)cs2)cc1 ZINC000650713243 461906240 /nfs/dbraw/zinc/90/62/40/461906240.db2.gz LUIVKPYCTAHIRL-UHFFFAOYSA-N 1 3 331.485 3.249 10 0 EGAEHO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000651752579 462325347 /nfs/dbraw/zinc/32/53/47/462325347.db2.gz LQFBKLGQUVXRLS-AZUAARDMSA-N 1 3 331.504 3.036 10 0 EGAEHO COc1cccc2cc([C@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C)oc21 ZINC000658107761 462387311 /nfs/dbraw/zinc/38/73/11/462387311.db2.gz OLKVMZICRGSPTJ-HOTGVXAUSA-N 1 3 347.503 3.364 10 0 EGAEHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2csc(Cl)c2)CC1 ZINC000665289847 462387625 /nfs/dbraw/zinc/38/76/25/462387625.db2.gz YVCIBSZJALNROI-GFCCVEGCSA-N 1 3 343.924 3.043 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)C1 ZINC000658147281 462407227 /nfs/dbraw/zinc/40/72/27/462407227.db2.gz YGALSKXDZURMDP-IFMALSPDSA-N 1 3 336.479 3.420 10 0 EGAEHO Cc1ccc(C[N@H+](CCCN2CCN(C(C)C)CC2)CC2CC2)cn1 ZINC000646020182 462498155 /nfs/dbraw/zinc/49/81/55/462498155.db2.gz MXQKYAQXHVTWLX-UHFFFAOYSA-N 1 3 344.547 3.018 10 0 EGAEHO Cc1ccc(C[N@@H+](CCCN2CCN(C(C)C)CC2)CC2CC2)cn1 ZINC000646020182 462498160 /nfs/dbraw/zinc/49/81/60/462498160.db2.gz MXQKYAQXHVTWLX-UHFFFAOYSA-N 1 3 344.547 3.018 10 0 EGAEHO COCC[C@H](C)N1CCCC2(CCC[N@@H+]([C@@H](C)CCOC)C2)C1 ZINC000351994853 547678910 /nfs/dbraw/zinc/67/89/10/547678910.db2.gz LPFKNHILVCMTLP-ADUPEVMXSA-N 1 3 326.525 3.014 10 0 EGAEHO COCC[C@H](C)N1CCCC2(CCC[N@H+]([C@@H](C)CCOC)C2)C1 ZINC000351994853 547678914 /nfs/dbraw/zinc/67/89/14/547678914.db2.gz LPFKNHILVCMTLP-ADUPEVMXSA-N 1 3 326.525 3.014 10 0 EGAEHO C[C@@H]1C[C@H](C)CN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000675749361 548973750 /nfs/dbraw/zinc/97/37/50/548973750.db2.gz UCCKVCHOZDHFLX-IIZPIQPGSA-N 1 3 343.559 3.465 10 0 EGAEHO C[C@@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)c1ccncc1 ZINC000675928717 549006555 /nfs/dbraw/zinc/00/65/55/549006555.db2.gz VWPSFCDJZQUKAD-DLBZAZTESA-N 1 3 327.472 3.476 10 0 EGAEHO CCC[NH+]1CCC(Nc2ccccc2N2CCN(CC)CC2)CC1 ZINC000680875615 549921836 /nfs/dbraw/zinc/92/18/36/549921836.db2.gz HGGWGBNARKYRQQ-UHFFFAOYSA-N 1 3 330.520 3.115 10 0 EGAEHO c1cc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc2cn1 ZINC000683833357 550266822 /nfs/dbraw/zinc/26/68/22/550266822.db2.gz YVFQCJNRBPPLRF-UHFFFAOYSA-N 1 3 339.483 3.312 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684732 576168841 /nfs/dbraw/zinc/16/88/41/576168841.db2.gz BDIQXGAGYDLFNY-ICSRJNTNSA-N 1 3 331.479 3.035 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1)C(C)C ZINC000871153045 1296241695 /nfs/dbraw/zinc/24/16/95/1296241695.db2.gz DHBAVDJGHBYZIK-UHFFFAOYSA-N 1 3 345.531 3.473 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1)C(C)C ZINC000871153045 1296241704 /nfs/dbraw/zinc/24/17/04/1296241704.db2.gz DHBAVDJGHBYZIK-UHFFFAOYSA-N 1 3 345.531 3.473 10 0 EGAEHO CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)CCCCCC[NH3+] ZINC000872154830 1296772407 /nfs/dbraw/zinc/77/24/07/1296772407.db2.gz BUTMTHDWVPDDAZ-MRXNPFEDSA-N 1 3 337.533 3.035 10 0 EGAEHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CCCCCC[NH3+] ZINC000872154866 1296772949 /nfs/dbraw/zinc/77/29/49/1296772949.db2.gz CRSZXFUDVHGJCW-HOTGVXAUSA-N 1 3 337.533 3.251 10 0 EGAEHO Brc1cnc(CN[C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232204 1297372758 /nfs/dbraw/zinc/37/27/58/1297372758.db2.gz BSPQQYXPSNPHNB-NSHDSACASA-N 1 3 344.322 3.308 10 0 EGAEHO C[C@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659134 1297572183 /nfs/dbraw/zinc/57/21/83/1297572183.db2.gz IWXXWKQPKJYGLB-HZPDHXFCSA-N 1 3 339.524 3.273 10 0 EGAEHO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894454773 1308896827 /nfs/dbraw/zinc/89/68/27/1308896827.db2.gz XRTPBFSOEHCIGJ-CJGGRQNCSA-N 1 3 344.499 3.217 10 0 EGAEHO C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)CCN1c1cc[nH+]cc1 ZINC000895555738 1309398682 /nfs/dbraw/zinc/39/86/82/1309398682.db2.gz BXGQGAVMIOSRJN-OAHLLOKOSA-N 1 3 339.468 3.040 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000858227932 1328717268 /nfs/dbraw/zinc/71/72/68/1328717268.db2.gz SFJMSDRLCZYHJF-ZACQAIPSSA-N 1 3 349.519 3.135 10 0 EGAEHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000858227932 1328717272 /nfs/dbraw/zinc/71/72/72/1328717272.db2.gz SFJMSDRLCZYHJF-ZACQAIPSSA-N 1 3 349.519 3.135 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674142 1323105776 /nfs/dbraw/zinc/10/57/76/1323105776.db2.gz YCWTUCKKNIZHMJ-STQMWFEESA-N 1 3 349.466 3.444 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc2c1OCO2 ZINC000925070247 1323265106 /nfs/dbraw/zinc/26/51/06/1323265106.db2.gz DUVQIVUKFYLPKX-ZDUSSCGKSA-N 1 3 330.403 3.467 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439574 1325150628 /nfs/dbraw/zinc/15/06/28/1325150628.db2.gz MTXMWYBEERQBHU-KURKYZTESA-N 1 3 348.535 3.223 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C[C@H](C)O1 ZINC000925441283 1325151369 /nfs/dbraw/zinc/15/13/69/1325151369.db2.gz YZZKSLOIQDNUST-YOUFYPILSA-N 1 3 345.531 3.272 10 0 EGAEHO CC1(C)C[C@@H](NC[C@@H](O)c2ccccc2C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925484380 1325171378 /nfs/dbraw/zinc/17/13/78/1325171378.db2.gz DNNJVWJYUFUPRO-TYNCELHUSA-N 1 3 330.394 3.234 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925574580 1325217327 /nfs/dbraw/zinc/21/73/27/1325217327.db2.gz RVLYVDUHOSSVMV-YGBSJELFSA-N 1 3 334.479 3.396 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925574580 1325217334 /nfs/dbraw/zinc/21/73/34/1325217334.db2.gz RVLYVDUHOSSVMV-YGBSJELFSA-N 1 3 334.479 3.396 10 0 EGAEHO CC1(C)C[C@@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]([NH3+])C1 ZINC000925597847 1325227932 /nfs/dbraw/zinc/22/79/32/1325227932.db2.gz OJQYPMPXSIBDEH-CABCVRRESA-N 1 3 348.878 3.428 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925674898 1325258636 /nfs/dbraw/zinc/25/86/36/1325258636.db2.gz FAGKBTZGOJPKJD-QGWWYQLQSA-N 1 3 331.479 3.018 10 0 EGAEHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925774940 1325296170 /nfs/dbraw/zinc/29/61/70/1325296170.db2.gz APADKILXBXMRIZ-BBRMVZONSA-N 1 3 334.414 3.076 10 0 EGAEHO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925774940 1325296178 /nfs/dbraw/zinc/29/61/78/1325296178.db2.gz APADKILXBXMRIZ-BBRMVZONSA-N 1 3 334.414 3.076 10 0 EGAEHO c1cc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804978 1325308931 /nfs/dbraw/zinc/30/89/31/1325308931.db2.gz OQLMGGLWARZZBP-SFTDATJTSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cc(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804978 1325308940 /nfs/dbraw/zinc/30/89/40/1325308940.db2.gz OQLMGGLWARZZBP-SFTDATJTSA-N 1 3 338.499 3.173 10 0 EGAEHO FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)O1 ZINC000925828940 1325320064 /nfs/dbraw/zinc/32/00/64/1325320064.db2.gz KMMYLGVETRJKNI-UGUYLWEFSA-N 1 3 334.426 3.244 10 0 EGAEHO CCOC(=O)[C@H]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842047 1325324344 /nfs/dbraw/zinc/32/43/44/1325324344.db2.gz XBDOGQYRKAILHM-CTAFRAEOSA-N 1 3 342.483 3.290 10 0 EGAEHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1csc(C(F)(F)F)c1 ZINC000926356538 1325525354 /nfs/dbraw/zinc/52/53/54/1325525354.db2.gz IYCQDEBINJYBCA-GFCCVEGCSA-N 1 3 349.466 3.444 10 0 EGAEHO C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc([O-])cc(F)c1 ZINC000926677023 1327661654 /nfs/dbraw/zinc/66/16/54/1327661654.db2.gz NJTCRGAKUDOLSW-CQSZACIVSA-N 1 3 336.451 3.073 10 0 EGAEHO O=C(N[C@@H](C[NH2+]CCC1CCOCC1)C1CC1)C12CCC(CC1)CC2 ZINC001323114470 1387294504 /nfs/dbraw/zinc/29/45/04/1387294504.db2.gz RWRGCYVFYLGQGR-BSLVTKGXSA-N 1 3 348.531 3.258 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001323566232 1387390705 /nfs/dbraw/zinc/39/07/05/1387390705.db2.gz GGZNAHGGGOSZCS-SFHVURJKSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001324099388 1387541688 /nfs/dbraw/zinc/54/16/88/1387541688.db2.gz VUYWTFBBDCLVCM-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CN(C)C[C@H](NCC[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001196735715 1368672337 /nfs/dbraw/zinc/67/23/37/1368672337.db2.gz GHVDBCXDNVMGIF-INIZCTEOSA-N 1 3 330.303 3.282 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001325628271 1388014555 /nfs/dbraw/zinc/01/45/55/1388014555.db2.gz BCXDYTRYPHUDBB-AKHDSKFASA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001325628271 1388014559 /nfs/dbraw/zinc/01/45/59/1388014559.db2.gz BCXDYTRYPHUDBB-AKHDSKFASA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)N(C)C ZINC001326555245 1388238053 /nfs/dbraw/zinc/23/80/53/1388238053.db2.gz OHKXMHXWOMSXAN-FHWLQOOXSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001326602612 1388255578 /nfs/dbraw/zinc/25/55/78/1388255578.db2.gz DFHLJKZSSCDPHD-GOSISDBHSA-N 1 3 343.515 3.014 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001326602613 1388255897 /nfs/dbraw/zinc/25/58/97/1388255897.db2.gz DFHLJKZSSCDPHD-SFHVURJKSA-N 1 3 343.515 3.014 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)CC(C)(C)C ZINC001327148567 1388406629 /nfs/dbraw/zinc/40/66/29/1388406629.db2.gz UAJOZDAZGODBOZ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)CC(C)(C)C ZINC001327148567 1388406635 /nfs/dbraw/zinc/40/66/35/1388406635.db2.gz UAJOZDAZGODBOZ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001265681971 1377159264 /nfs/dbraw/zinc/15/92/64/1377159264.db2.gz INMUCHAMORRDRR-YSKLNCTFSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119872 1377196243 /nfs/dbraw/zinc/19/62/43/1377196243.db2.gz OGUHNYOISOFBAH-VQTJNVASSA-N 1 3 345.531 3.401 10 0 EGAEHO CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119872 1377196244 /nfs/dbraw/zinc/19/62/44/1377196244.db2.gz OGUHNYOISOFBAH-VQTJNVASSA-N 1 3 345.531 3.401 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001266247622 1377245150 /nfs/dbraw/zinc/24/51/50/1377245150.db2.gz QJZYQTOWLIGRFF-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001266247622 1377245151 /nfs/dbraw/zinc/24/51/51/1377245151.db2.gz QJZYQTOWLIGRFF-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001266884485 1377399638 /nfs/dbraw/zinc/39/96/38/1377399638.db2.gz PLTDWYRERQMWCT-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001267570527 1377460956 /nfs/dbraw/zinc/46/09/56/1377460956.db2.gz BPGYTWQBBIHYRT-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267570527 1377460957 /nfs/dbraw/zinc/46/09/57/1377460957.db2.gz BPGYTWQBBIHYRT-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001274340969 1378123332 /nfs/dbraw/zinc/12/33/32/1378123332.db2.gz ZNUWQQKGTUNSCS-WDJFIJIBSA-N 1 3 345.531 3.213 10 0 EGAEHO Cc1cccc(C[NH+]2CCC([C@@H](C)NC(=O)CN(C)C(C)C)CC2)c1 ZINC001279112578 1378298369 /nfs/dbraw/zinc/29/83/69/1378298369.db2.gz ZFDLASCDLHGODQ-GOSISDBHSA-N 1 3 345.531 3.052 10 0 EGAEHO CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001280349941 1378342516 /nfs/dbraw/zinc/34/25/16/1378342516.db2.gz BPKBRYNDVUVNBA-QFBILLFUSA-N 1 3 331.504 3.236 10 0 EGAEHO C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(CC2=CCCCC2)C1 ZINC001282744603 1378595400 /nfs/dbraw/zinc/59/54/00/1378595400.db2.gz LCQBPZHOIRBFIZ-SFHVURJKSA-N 1 3 347.547 3.189 10 0 EGAEHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001283101055 1378732612 /nfs/dbraw/zinc/73/26/12/1378732612.db2.gz CWOMUIUDQRYUPQ-LEAZDLGRSA-N 1 3 345.531 3.208 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001283267276 1378777045 /nfs/dbraw/zinc/77/70/45/1378777045.db2.gz ASLYXBZQXSXEGG-HNNXBMFYSA-N 1 3 346.519 3.106 10 0 EGAEHO CC/C=C/CC[N@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001283332004 1378815078 /nfs/dbraw/zinc/81/50/78/1378815078.db2.gz MIOIZFFUDQWWBI-CMDGGOBGSA-N 1 3 337.552 3.243 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001283332004 1378815082 /nfs/dbraw/zinc/81/50/82/1378815082.db2.gz MIOIZFFUDQWWBI-CMDGGOBGSA-N 1 3 337.552 3.243 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CC2CCC(C)CC2)CC1 ZINC001283344400 1378829295 /nfs/dbraw/zinc/82/92/95/1378829295.db2.gz QDITVJGHBCORNA-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001283344400 1378829304 /nfs/dbraw/zinc/82/93/04/1378829304.db2.gz QDITVJGHBCORNA-UHFFFAOYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001284034744 1379384917 /nfs/dbraw/zinc/38/49/17/1379384917.db2.gz VBZSMFOEHSVGSF-ZLQADLMRSA-N 1 3 343.515 3.297 10 0 EGAEHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001316643986 1384502598 /nfs/dbraw/zinc/50/25/98/1384502598.db2.gz JGMGNBNVWXBSNZ-XUVXKRRUSA-N 1 3 345.531 3.101 10 0 EGAEHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001316643986 1384502600 /nfs/dbraw/zinc/50/26/00/1384502600.db2.gz JGMGNBNVWXBSNZ-XUVXKRRUSA-N 1 3 345.531 3.101 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001316665452 1384511559 /nfs/dbraw/zinc/51/15/59/1384511559.db2.gz ZFFIKAQBKWSQOZ-AZUAARDMSA-N 1 3 345.531 3.020 10 0 EGAEHO CC/C=C\CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001316986671 1384743010 /nfs/dbraw/zinc/74/30/10/1384743010.db2.gz ROQHXEGGRGGDPS-IIMWHKGRSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C\CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001316986671 1384743013 /nfs/dbraw/zinc/74/30/13/1384743013.db2.gz ROQHXEGGRGGDPS-IIMWHKGRSA-N 1 3 347.547 3.330 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001317007043 1384770024 /nfs/dbraw/zinc/77/00/24/1384770024.db2.gz MYMIJKLRNPJNMG-IBGZPJMESA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001317024319 1384790609 /nfs/dbraw/zinc/79/06/09/1384790609.db2.gz JDMWRDIHFQUOSX-XLIONFOSSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001317043288 1384816509 /nfs/dbraw/zinc/81/65/09/1384816509.db2.gz JJHUKIUCYQMTQW-FQEVSTJZSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001317043288 1384816512 /nfs/dbraw/zinc/81/65/12/1384816512.db2.gz JJHUKIUCYQMTQW-FQEVSTJZSA-N 1 3 345.531 3.006 10 0 EGAEHO CC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001317048724 1384825069 /nfs/dbraw/zinc/82/50/69/1384825069.db2.gz CTFIKAPXIVLKOR-PYSGZSLQSA-N 1 3 347.547 3.284 10 0 EGAEHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)N(C)C ZINC001317097900 1384859732 /nfs/dbraw/zinc/85/97/32/1384859732.db2.gz HMMJFCLZTMYQBH-RAFMOHDBSA-N 1 3 349.563 3.265 10 0 EGAEHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)N(C)C ZINC001317097900 1384859735 /nfs/dbraw/zinc/85/97/35/1384859735.db2.gz HMMJFCLZTMYQBH-RAFMOHDBSA-N 1 3 349.563 3.265 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317099359 1384862222 /nfs/dbraw/zinc/86/22/22/1384862222.db2.gz BSQRQVQQKRJYOR-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317099359 1384862223 /nfs/dbraw/zinc/86/22/23/1384862223.db2.gz BSQRQVQQKRJYOR-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001317150655 1384917311 /nfs/dbraw/zinc/91/73/11/1384917311.db2.gz PKRVKUJOTDDQEZ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001317192994 1384967331 /nfs/dbraw/zinc/96/73/31/1384967331.db2.gz RDMKXEWJABJMHE-BDRZJWEDSA-N 1 3 343.515 3.011 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCCC1CCCC1 ZINC001317270667 1385041274 /nfs/dbraw/zinc/04/12/74/1385041274.db2.gz JQWVSKPUNNOVSY-MSOLQXFVSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001317397877 1385114043 /nfs/dbraw/zinc/11/40/43/1385114043.db2.gz YIURVGFSEBZCQW-MSOLQXFVSA-N 1 3 345.531 3.333 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001317414533 1385124820 /nfs/dbraw/zinc/12/48/20/1385124820.db2.gz ALBYKEYPWLNVRJ-CQOFWLJFSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505332 1385211715 /nfs/dbraw/zinc/21/17/15/1385211715.db2.gz KSYSQYFACPXGMH-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505332 1385211717 /nfs/dbraw/zinc/21/17/17/1385211717.db2.gz KSYSQYFACPXGMH-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(CC(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001317530315 1385255255 /nfs/dbraw/zinc/25/52/55/1385255255.db2.gz VUNHLEZFWJEIRV-LJQANCHMSA-N 1 3 349.563 3.293 10 0 EGAEHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001317530315 1385255259 /nfs/dbraw/zinc/25/52/59/1385255259.db2.gz VUNHLEZFWJEIRV-LJQANCHMSA-N 1 3 349.563 3.293 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317811990 1385512262 /nfs/dbraw/zinc/51/22/62/1385512262.db2.gz TYVFBXSEFUVPGV-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317811990 1385512265 /nfs/dbraw/zinc/51/22/65/1385512265.db2.gz TYVFBXSEFUVPGV-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001318953179 1385895109 /nfs/dbraw/zinc/89/51/09/1385895109.db2.gz NUQNSEGELYBNKN-VAMGGRTRSA-N 1 3 349.563 3.457 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)cc1 ZINC001319593464 1386195164 /nfs/dbraw/zinc/19/51/64/1386195164.db2.gz OJADVZVKMFZHTD-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CCC(C)(C)C ZINC001319849313 1386333521 /nfs/dbraw/zinc/33/35/21/1386333521.db2.gz OCFBWYUKLVFOCV-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001319868266 1386346695 /nfs/dbraw/zinc/34/66/95/1386346695.db2.gz KCMBVOVQGNBVKF-MJGOQNOKSA-N 1 3 335.536 3.044 10 0 EGAEHO CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)CN(C)C(C)C ZINC001320930227 1386761665 /nfs/dbraw/zinc/76/16/65/1386761665.db2.gz XGTWEJCWPNBAAP-GOSISDBHSA-N 1 3 333.520 3.143 10 0 EGAEHO CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001320929234 1386761868 /nfs/dbraw/zinc/76/18/68/1386761868.db2.gz RBDZILJDMAISCQ-KTZABMDBSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001321755860 1386975977 /nfs/dbraw/zinc/97/59/77/1386975977.db2.gz HLGHCOSXBSQZJZ-IAGOWNOFSA-N 1 3 333.520 3.306 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001322852437 1387246714 /nfs/dbraw/zinc/24/67/14/1387246714.db2.gz OLQSMQMASDTJJD-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001329500328 1389132170 /nfs/dbraw/zinc/13/21/70/1389132170.db2.gz HWGLZCCBKDKLSX-GOSISDBHSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C)c(C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N2CCCC2)c1 ZINC001329500328 1389132173 /nfs/dbraw/zinc/13/21/73/1389132173.db2.gz HWGLZCCBKDKLSX-GOSISDBHSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001329759138 1389219714 /nfs/dbraw/zinc/21/97/14/1389219714.db2.gz ALDVWXJXSIUMDQ-LPHOPBHVSA-N 1 3 343.531 3.070 10 0 EGAEHO CC(C)=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001330466178 1389420584 /nfs/dbraw/zinc/42/05/84/1389420584.db2.gz GXQWJDGGRYAXIA-GBESFXJTSA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001330466178 1389420588 /nfs/dbraw/zinc/42/05/88/1389420588.db2.gz GXQWJDGGRYAXIA-GBESFXJTSA-N 1 3 349.563 3.147 10 0 EGAEHO CCCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001698726915 1406377713 /nfs/dbraw/zinc/37/77/13/1406377713.db2.gz JZICCLFOWYLMLK-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001331323305 1389701265 /nfs/dbraw/zinc/70/12/65/1389701265.db2.gz CTYFMZDZSMUVPJ-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750472 1406401702 /nfs/dbraw/zinc/40/17/02/1406401702.db2.gz YFNBHQDGMCDBHG-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001331944306 1389921399 /nfs/dbraw/zinc/92/13/99/1389921399.db2.gz ONKGJHUQYOQAIA-XLIONFOSSA-N 1 3 345.531 3.058 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342339 1390091852 /nfs/dbraw/zinc/09/18/52/1390091852.db2.gz UCRLYLQVZMKKSX-MOPGFXCFSA-N 1 3 349.563 3.172 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]CCC(C)(C)C)C2)c1 ZINC001333153612 1390257195 /nfs/dbraw/zinc/25/71/95/1390257195.db2.gz LMFLZMKRZRGUSH-UHFFFAOYSA-N 1 3 345.531 3.377 10 0 EGAEHO CCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCN3C(C)C)CC2)CC1 ZINC001333180296 1390262506 /nfs/dbraw/zinc/26/25/06/1390262506.db2.gz FEHQMKIWNMXZHU-IBGZPJMESA-N 1 3 349.563 3.410 10 0 EGAEHO CCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCCC2)c(F)c1 ZINC001333469349 1390311739 /nfs/dbraw/zinc/31/17/39/1390311739.db2.gz DKBZUTHGDWUDSO-UHFFFAOYSA-N 1 3 349.494 3.206 10 0 EGAEHO Cc1ccnc(N)c1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001353581983 1392043676 /nfs/dbraw/zinc/04/36/76/1392043676.db2.gz RBYOICGZFHGIAB-QGZVFWFLSA-N 1 3 330.520 3.449 10 0 EGAEHO Cc1ccnc(N)c1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001353581983 1392043680 /nfs/dbraw/zinc/04/36/80/1392043680.db2.gz RBYOICGZFHGIAB-QGZVFWFLSA-N 1 3 330.520 3.449 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC001479337631 1392218954 /nfs/dbraw/zinc/21/89/54/1392218954.db2.gz DRJXCSYQBUYSMB-SXLOBPIMSA-N 1 3 345.531 3.135 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001479488870 1392255230 /nfs/dbraw/zinc/25/52/30/1392255230.db2.gz QFMYTPLXXJAFOM-ZWKOTPCHSA-N 1 3 344.503 3.026 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001479745154 1392360377 /nfs/dbraw/zinc/36/03/77/1392360377.db2.gz IUYXBJLNELXURG-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001479745154 1392360381 /nfs/dbraw/zinc/36/03/81/1392360381.db2.gz IUYXBJLNELXURG-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)N1CCCCCC1 ZINC001480051390 1392551704 /nfs/dbraw/zinc/55/17/04/1392551704.db2.gz QIILDZPTZQDXRD-XLIONFOSSA-N 1 3 347.547 3.236 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001480223316 1392626510 /nfs/dbraw/zinc/62/65/10/1392626510.db2.gz AABJQWNEXHMIHJ-YTQUADARSA-N 1 3 345.531 3.271 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001480409828 1392746119 /nfs/dbraw/zinc/74/61/19/1392746119.db2.gz UKXIAWHGKAYFOL-ZDYDXEFCSA-N 1 3 341.927 3.019 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481112501 1393122783 /nfs/dbraw/zinc/12/27/83/1393122783.db2.gz KEHDVFTWJRRECL-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481112501 1393122788 /nfs/dbraw/zinc/12/27/88/1393122788.db2.gz KEHDVFTWJRRECL-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001481343526 1393168690 /nfs/dbraw/zinc/16/86/90/1393168690.db2.gz OWCBMOYQHANCLB-QGZVFWFLSA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001481451605 1394307900 /nfs/dbraw/zinc/30/79/00/1394307900.db2.gz IWYYRJHZMRISCG-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001481451605 1394307907 /nfs/dbraw/zinc/30/79/07/1394307907.db2.gz IWYYRJHZMRISCG-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530411 1394386468 /nfs/dbraw/zinc/38/64/68/1394386468.db2.gz TXUROTJEQRAVKD-XSXCZSQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001481530411 1394386473 /nfs/dbraw/zinc/38/64/73/1394386473.db2.gz TXUROTJEQRAVKD-XSXCZSQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001481530411 1394386479 /nfs/dbraw/zinc/38/64/79/1394386479.db2.gz TXUROTJEQRAVKD-XSXCZSQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001491125129 1394441276 /nfs/dbraw/zinc/44/12/76/1394441276.db2.gz GYIANAHLAVYXDG-LJQANCHMSA-N 1 3 337.552 3.127 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001491125129 1394441280 /nfs/dbraw/zinc/44/12/80/1394441280.db2.gz GYIANAHLAVYXDG-LJQANCHMSA-N 1 3 337.552 3.127 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001491172433 1394458428 /nfs/dbraw/zinc/45/84/28/1394458428.db2.gz DZILOVPJKASLTD-GOSISDBHSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491191160 1394465251 /nfs/dbraw/zinc/46/52/51/1394465251.db2.gz PZTGZAWGGCVBIN-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CCC/C=C/CCN1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709913 1394468814 /nfs/dbraw/zinc/46/88/14/1394468814.db2.gz XMZZIQCQZPBNLP-LXORQPIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CCN(C(=O)CCCC[NH+](C)C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001481778741 1394523576 /nfs/dbraw/zinc/52/35/76/1394523576.db2.gz NXXPXTQVPCVZMK-FQEVSTJZSA-N 1 3 345.531 3.150 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001483958393 1395162785 /nfs/dbraw/zinc/16/27/85/1395162785.db2.gz HEPUHHPYOTVAOF-UXHICEINSA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057936 1395219933 /nfs/dbraw/zinc/21/99/33/1395219933.db2.gz MWURTMWGMTUIGB-CTNGQTDRSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057936 1395219936 /nfs/dbraw/zinc/21/99/36/1395219936.db2.gz MWURTMWGMTUIGB-CTNGQTDRSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057936 1395219941 /nfs/dbraw/zinc/21/99/41/1395219941.db2.gz MWURTMWGMTUIGB-CTNGQTDRSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCC[N@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001484557862 1395439563 /nfs/dbraw/zinc/43/95/63/1395439563.db2.gz YEHPOWOUNYBSGD-HDICACEKSA-N 1 3 345.531 3.408 10 0 EGAEHO CCCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001484557862 1395439567 /nfs/dbraw/zinc/43/95/67/1395439567.db2.gz YEHPOWOUNYBSGD-HDICACEKSA-N 1 3 345.531 3.408 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978917 1395619169 /nfs/dbraw/zinc/61/91/69/1395619169.db2.gz KIIVXDAKANWWMA-IEBWSBKVSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CCCCC1 ZINC001484978917 1395619174 /nfs/dbraw/zinc/61/91/74/1395619174.db2.gz KIIVXDAKANWWMA-IEBWSBKVSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC)C2)C1 ZINC001485082130 1395652266 /nfs/dbraw/zinc/65/22/66/1395652266.db2.gz MJFIUXIKVKSMCJ-MOPGFXCFSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CC)C2)C1 ZINC001485082130 1395652270 /nfs/dbraw/zinc/65/22/70/1395652270.db2.gz MJFIUXIKVKSMCJ-MOPGFXCFSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C(C)(C)C ZINC001717961415 1421733131 /nfs/dbraw/zinc/73/31/31/1421733131.db2.gz JLLGYHSMXNJIGI-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)=CCN1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001493123160 1396336123 /nfs/dbraw/zinc/33/61/23/1396336123.db2.gz CVZHOWKBUGYQSJ-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001494241917 1396407769 /nfs/dbraw/zinc/40/77/69/1396407769.db2.gz WBFZUOLJOBMXIN-DSQZMVHQSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001497268725 1396740767 /nfs/dbraw/zinc/74/07/67/1396740767.db2.gz PDLWETPZKYFFQE-LPHOPBHVSA-N 1 3 347.547 3.309 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001497994071 1396907560 /nfs/dbraw/zinc/90/75/60/1396907560.db2.gz WHCZDPKLSHHLMJ-QUCCMNQESA-N 1 3 345.531 3.081 10 0 EGAEHO CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001689271086 1397004558 /nfs/dbraw/zinc/00/45/58/1397004558.db2.gz BWROZOIPVFROST-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001689365856 1403705853 /nfs/dbraw/zinc/70/58/53/1403705853.db2.gz PWTSKSSNFFICKD-IBGZPJMESA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001689365856 1403705857 /nfs/dbraw/zinc/70/58/57/1403705857.db2.gz PWTSKSSNFFICKD-IBGZPJMESA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689912175 1404205441 /nfs/dbraw/zinc/20/54/41/1404205441.db2.gz RLBYOHHKMHWSFP-DLBZAZTESA-N 1 3 325.541 3.122 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001690131615 1404327351 /nfs/dbraw/zinc/32/73/51/1404327351.db2.gz VKDRAVJGNOZTKP-ZEVQVBBLSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154361 1404353050 /nfs/dbraw/zinc/35/30/50/1404353050.db2.gz ZBGUOEJPLLMIMG-VQTJNVASSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001690480255 1404599769 /nfs/dbraw/zinc/59/97/69/1404599769.db2.gz IONVFWAEKQHGOB-MOPGFXCFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1)N(CC)CC ZINC001691058710 1404981000 /nfs/dbraw/zinc/98/10/00/1404981000.db2.gz OHWLBLYUVNQDDR-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1)N(CC)CC ZINC001691058710 1404981002 /nfs/dbraw/zinc/98/10/02/1404981002.db2.gz OHWLBLYUVNQDDR-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CN(CC(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1)CC(C)(C)C ZINC001725676181 1426362279 /nfs/dbraw/zinc/36/22/79/1426362279.db2.gz LZNXIAKMWIQTHB-MRXNPFEDSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691098712 1405036798 /nfs/dbraw/zinc/03/67/98/1405036798.db2.gz WKPRTFNWBWLVKJ-KSZLIROESA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001691228135 1405168132 /nfs/dbraw/zinc/16/81/32/1405168132.db2.gz OXXYUWQTRZMYDY-LJQANCHMSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001691228135 1405168134 /nfs/dbraw/zinc/16/81/34/1405168134.db2.gz OXXYUWQTRZMYDY-LJQANCHMSA-N 1 3 349.563 3.266 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCCCC2)C1 ZINC001691661611 1405395150 /nfs/dbraw/zinc/39/51/50/1405395150.db2.gz VWPZRHUGERGJPH-QUCCMNQESA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCCCC2)C1 ZINC001691661611 1405395153 /nfs/dbraw/zinc/39/51/53/1405395153.db2.gz VWPZRHUGERGJPH-QUCCMNQESA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001692121737 1405784073 /nfs/dbraw/zinc/78/40/73/1405784073.db2.gz XJQGIGZGQAYVOC-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1)N(C)C ZINC001692280220 1405915128 /nfs/dbraw/zinc/91/51/28/1405915128.db2.gz RJOIFWIKTGDKPZ-IRXDYDNUSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1)N(C)C ZINC001692280220 1405915129 /nfs/dbraw/zinc/91/51/29/1405915129.db2.gz RJOIFWIKTGDKPZ-IRXDYDNUSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001698547336 1406143830 /nfs/dbraw/zinc/14/38/30/1406143830.db2.gz IGINNLHDJVYPOL-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001698547336 1406143831 /nfs/dbraw/zinc/14/38/31/1406143831.db2.gz IGINNLHDJVYPOL-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698553858 1406150808 /nfs/dbraw/zinc/15/08/08/1406150808.db2.gz QIYIBQLADJLJMC-PXDRNWIDSA-N 1 3 343.515 3.299 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698553858 1406150809 /nfs/dbraw/zinc/15/08/09/1406150809.db2.gz QIYIBQLADJLJMC-PXDRNWIDSA-N 1 3 343.515 3.299 10 0 EGAEHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580474 1406192215 /nfs/dbraw/zinc/19/22/15/1406192215.db2.gz DIMSZZMQEXQELP-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001698580474 1406192217 /nfs/dbraw/zinc/19/22/17/1406192217.db2.gz DIMSZZMQEXQELP-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698602527 1406229378 /nfs/dbraw/zinc/22/93/78/1406229378.db2.gz ZVSIFDCYRDWSDI-QGZVFWFLSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085036 1428343292 /nfs/dbraw/zinc/34/32/92/1428343292.db2.gz YGVVQEKXPOYYPY-MOPGFXCFSA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001732085036 1428343295 /nfs/dbraw/zinc/34/32/95/1428343295.db2.gz YGVVQEKXPOYYPY-MOPGFXCFSA-N 1 3 345.531 3.177 10 0 EGAEHO CCC[NH2+]C[C@@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@@H]1C ZINC001732258273 1428498832 /nfs/dbraw/zinc/49/88/32/1428498832.db2.gz CPRQKKPWZNJOEN-UWJYYQICSA-N 1 3 345.531 3.427 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)c1 ZINC001732515911 1428635511 /nfs/dbraw/zinc/63/55/11/1428635511.db2.gz HKIKLIXPNRMZPF-FQEVSTJZSA-N 1 3 343.515 3.133 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001699101852 1412510825 /nfs/dbraw/zinc/51/08/25/1412510825.db2.gz YFGDDVKFLUHART-UYAOXDASSA-N 1 3 345.531 3.161 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507814 1412896517 /nfs/dbraw/zinc/89/65/17/1412896517.db2.gz JMIXCGDCKODEBM-OALUTQOASA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC001699537224 1412912425 /nfs/dbraw/zinc/91/24/25/1412912425.db2.gz FDDVGWRTVTXVJL-QGZVFWFLSA-N 1 3 348.878 3.195 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001699554753 1412921699 /nfs/dbraw/zinc/92/16/99/1412921699.db2.gz YEUXMLVOXPOPAQ-UYAOXDASSA-N 1 3 345.531 3.369 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672649 1413063113 /nfs/dbraw/zinc/06/31/13/1413063113.db2.gz CBCLFJJOUUCEND-HKUYNNGSSA-N 1 3 346.519 3.236 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001699672649 1413063116 /nfs/dbraw/zinc/06/31/16/1413063116.db2.gz CBCLFJJOUUCEND-HKUYNNGSSA-N 1 3 346.519 3.236 10 0 EGAEHO CC(C)(C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCC1)N1CCCC1 ZINC001699797622 1413207492 /nfs/dbraw/zinc/20/74/92/1413207492.db2.gz UEOWFJJTHBFDGM-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@H](c1ccccc1Cl)N1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824708 1413248849 /nfs/dbraw/zinc/24/88/49/1413248849.db2.gz RIVLQPOECJRGKG-DNVCBOLYSA-N 1 3 349.906 3.077 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001699862394 1413296870 /nfs/dbraw/zinc/29/68/70/1413296870.db2.gz TUQWVNVASUFNOB-LIXSYLKWSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001699971191 1413409975 /nfs/dbraw/zinc/40/99/75/1413409975.db2.gz XAPYDJDPKOUBIA-CWDJHMJFSA-N 1 3 337.552 3.005 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094337 1413508445 /nfs/dbraw/zinc/50/84/45/1413508445.db2.gz SMMLEHJIODKHQJ-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001700100631 1413518217 /nfs/dbraw/zinc/51/82/17/1413518217.db2.gz WRDBNIJAYWBVRE-ZWKOTPCHSA-N 1 3 343.515 3.261 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181160 1413594830 /nfs/dbraw/zinc/59/48/30/1413594830.db2.gz PUHPCYAYZCXGDK-JTHGQSKGSA-N 1 3 337.552 3.291 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181160 1413594833 /nfs/dbraw/zinc/59/48/33/1413594833.db2.gz PUHPCYAYZCXGDK-JTHGQSKGSA-N 1 3 337.552 3.291 10 0 EGAEHO CN(CC(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1)C1CCC1 ZINC001700281161 1413725839 /nfs/dbraw/zinc/72/58/39/1413725839.db2.gz LNYJDQRLFUUMDK-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001700475712 1414101864 /nfs/dbraw/zinc/10/18/64/1414101864.db2.gz FWAZRLKHSXDUGO-QUCCMNQESA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001700475712 1414101865 /nfs/dbraw/zinc/10/18/65/1414101865.db2.gz FWAZRLKHSXDUGO-QUCCMNQESA-N 1 3 345.531 3.194 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001700860235 1414508790 /nfs/dbraw/zinc/50/87/90/1414508790.db2.gz SDTFYPTZSJCPEP-AJWBFMOXSA-N 1 3 343.515 3.297 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001700975295 1414608840 /nfs/dbraw/zinc/60/88/40/1414608840.db2.gz RPHMQUILYGRCCN-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001700975295 1414608845 /nfs/dbraw/zinc/60/88/45/1414608845.db2.gz RPHMQUILYGRCCN-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO CCCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001701009812 1414668455 /nfs/dbraw/zinc/66/84/55/1414668455.db2.gz OIMYVZQQVWPOJE-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CCC1CCCC1)[NH+]1CCCC1 ZINC001707062225 1417177613 /nfs/dbraw/zinc/17/76/13/1417177613.db2.gz LTWHBSYVNYPAFF-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1F ZINC001707436360 1417341112 /nfs/dbraw/zinc/34/11/12/1417341112.db2.gz OVEHUZGDDSOBTC-LPHOPBHVSA-N 1 3 349.494 3.025 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CCCC(C)(C)C ZINC001712990941 1417542678 /nfs/dbraw/zinc/54/26/78/1417542678.db2.gz KJCGMRVJNVDNON-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CCCC(C)(C)C ZINC001712990941 1417542680 /nfs/dbraw/zinc/54/26/80/1417542680.db2.gz KJCGMRVJNVDNON-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)c1 ZINC001713175883 1417748938 /nfs/dbraw/zinc/74/89/38/1417748938.db2.gz SAUFMMIJDPPQFV-MXVIHJGJSA-N 1 3 343.515 3.179 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001713266035 1417874236 /nfs/dbraw/zinc/87/42/36/1417874236.db2.gz FCFIMQMCIVTYHQ-ZEVQVBBLSA-N 1 3 337.552 3.291 10 0 EGAEHO CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001713288218 1417915358 /nfs/dbraw/zinc/91/53/58/1417915358.db2.gz KACWVUADVAWQPC-SOAGJPPSSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001713506700 1418230186 /nfs/dbraw/zinc/23/01/86/1418230186.db2.gz YLFYXGKCXVQAOZ-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001713506700 1418230190 /nfs/dbraw/zinc/23/01/90/1418230190.db2.gz YLFYXGKCXVQAOZ-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCCN2CC)cc1 ZINC001713666848 1418422312 /nfs/dbraw/zinc/42/23/12/1418422312.db2.gz FTMSQHAOZUIDJE-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]([NH2+]CCCF)c1ccccc1)N1CCCCC1 ZINC001713701418 1418458929 /nfs/dbraw/zinc/45/89/29/1418458929.db2.gz AAEUHEDNUKCFMY-GOSISDBHSA-N 1 3 349.494 3.058 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](Cc1ccccc1)C1CC1 ZINC001713775412 1418591221 /nfs/dbraw/zinc/59/12/21/1418591221.db2.gz ILDHEFAFXAJSLG-FQEVSTJZSA-N 1 3 343.515 3.032 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001713775412 1418591227 /nfs/dbraw/zinc/59/12/27/1418591227.db2.gz ILDHEFAFXAJSLG-FQEVSTJZSA-N 1 3 343.515 3.032 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001714106811 1418906566 /nfs/dbraw/zinc/90/65/66/1418906566.db2.gz MBRUHFZTEYLPMM-RBUKOAKNSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001714107557 1418907210 /nfs/dbraw/zinc/90/72/10/1418907210.db2.gz RSVQQCPSIMUUFG-QUCCMNQESA-N 1 3 345.531 3.244 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154204 1418962549 /nfs/dbraw/zinc/96/25/49/1418962549.db2.gz RADWBMVFKOGBFZ-QZTJIDSGSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001714154204 1418962551 /nfs/dbraw/zinc/96/25/51/1418962551.db2.gz RADWBMVFKOGBFZ-QZTJIDSGSA-N 1 3 339.568 3.227 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001733198351 1429300813 /nfs/dbraw/zinc/30/08/13/1429300813.db2.gz KJWUNFDOHBUTOD-OALUTQOASA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001714390156 1419139050 /nfs/dbraw/zinc/13/90/50/1419139050.db2.gz BYPOMYSYUWPCKF-IEBWSBKVSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001714395613 1419141442 /nfs/dbraw/zinc/14/14/42/1419141442.db2.gz DZNMEXLQNMOZRT-MJGOQNOKSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001714408194 1419148739 /nfs/dbraw/zinc/14/87/39/1419148739.db2.gz PLFNWNQITPWHDI-QZTJIDSGSA-N 1 3 337.552 3.458 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001714650282 1419427484 /nfs/dbraw/zinc/42/74/84/1419427484.db2.gz RETVVIKKWQUCLN-RBUKOAKNSA-N 1 3 345.531 3.144 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001714650282 1419427486 /nfs/dbraw/zinc/42/74/86/1419427486.db2.gz RETVVIKKWQUCLN-RBUKOAKNSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001714664972 1419452361 /nfs/dbraw/zinc/45/23/61/1419452361.db2.gz CWQRWHOPMCQTGA-PXNSSMCTSA-N 1 3 347.547 3.333 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714921862 1419674280 /nfs/dbraw/zinc/67/42/80/1419674280.db2.gz XZUZHIAMWBLEDD-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001714921862 1419674282 /nfs/dbraw/zinc/67/42/82/1419674282.db2.gz XZUZHIAMWBLEDD-WYNBNGFRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001715075617 1419810445 /nfs/dbraw/zinc/81/04/45/1419810445.db2.gz OYJJETSMFHOABH-SJORKVTESA-N 1 3 325.541 3.172 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001715082056 1419818586 /nfs/dbraw/zinc/81/85/86/1419818586.db2.gz DBJNYWQQLWXDRK-IBGZPJMESA-N 1 3 347.547 3.309 10 0 EGAEHO CC(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001715195807 1419927757 /nfs/dbraw/zinc/92/77/57/1419927757.db2.gz LYECGUHUCBMEAU-FQEVSTJZSA-N 1 3 345.531 3.311 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001715495430 1420176581 /nfs/dbraw/zinc/17/65/81/1420176581.db2.gz YVXYSUFKWQKKRH-RTBURBONSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1)c1ccc(Cl)cc1 ZINC001733251821 1429400641 /nfs/dbraw/zinc/40/06/41/1429400641.db2.gz YJYUQOARJJSABH-CQSZACIVSA-N 1 3 349.906 3.124 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)cc1C ZINC001715578609 1420260818 /nfs/dbraw/zinc/26/08/18/1420260818.db2.gz RTFFBUUOTKDLPK-PMACEKPBSA-N 1 3 345.531 3.018 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)c1cccc(F)c1 ZINC001715828642 1420358712 /nfs/dbraw/zinc/35/87/12/1420358712.db2.gz XSGWHQVRKFBCTC-HLIGJIKWSA-N 1 3 347.478 3.023 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)c1cccc(F)c1 ZINC001715828642 1420358714 /nfs/dbraw/zinc/35/87/14/1420358714.db2.gz XSGWHQVRKFBCTC-HLIGJIKWSA-N 1 3 347.478 3.023 10 0 EGAEHO CCN(CC[NH2+]CCC1CCCCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001716239825 1420577822 /nfs/dbraw/zinc/57/78/22/1420577822.db2.gz QYEXJHOKKAHSEH-GOSISDBHSA-N 1 3 337.552 3.127 10 0 EGAEHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)CN(C)CC(C)(C)C ZINC001716412651 1420641984 /nfs/dbraw/zinc/64/19/84/1420641984.db2.gz KKXDMKOZTTVWTJ-MRXNPFEDSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1 ZINC001716900782 1421031542 /nfs/dbraw/zinc/03/15/42/1421031542.db2.gz UUBYNPAZMGSVPC-TZIWHRDSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001716900782 1421031545 /nfs/dbraw/zinc/03/15/45/1421031545.db2.gz UUBYNPAZMGSVPC-TZIWHRDSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001717446994 1421376505 /nfs/dbraw/zinc/37/65/05/1421376505.db2.gz LEXJKVBQVLGDQD-SOAGJPPSSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668046 1421558386 /nfs/dbraw/zinc/55/83/86/1421558386.db2.gz RZBYASZCYLXEDA-IEBWSBKVSA-N 1 3 335.536 3.234 10 0 EGAEHO CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001717964885 1421736674 /nfs/dbraw/zinc/73/66/74/1421736674.db2.gz GHLHOLQUWIATMR-QZTJIDSGSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001717985058 1421757498 /nfs/dbraw/zinc/75/74/98/1421757498.db2.gz WMJJNOMRSRLTRS-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001733336188 1429520769 /nfs/dbraw/zinc/52/07/69/1429520769.db2.gz RKNQRXPNKXQNCY-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001733360746 1429544399 /nfs/dbraw/zinc/54/43/99/1429544399.db2.gz YVDZNDDIOATYQT-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001723544210 1424458433 /nfs/dbraw/zinc/45/84/33/1424458433.db2.gz DBKOSJLASQSYNK-QGZVFWFLSA-N 1 3 343.515 3.169 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001724025799 1424633229 /nfs/dbraw/zinc/63/32/29/1424633229.db2.gz JLDWOZIDDCABOW-IAGOWNOFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001724180509 1424715419 /nfs/dbraw/zinc/71/54/19/1424715419.db2.gz WXQWOBKQUFKNHC-OAQYLSRUSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001724180509 1424715422 /nfs/dbraw/zinc/71/54/22/1424715422.db2.gz WXQWOBKQUFKNHC-OAQYLSRUSA-N 1 3 345.531 3.232 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001724532029 1424896950 /nfs/dbraw/zinc/89/69/50/1424896950.db2.gz MYBDZYLLXOPAKK-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001724760331 1425130941 /nfs/dbraw/zinc/13/09/41/1425130941.db2.gz WKNJGSZKBUILGV-SFHVURJKSA-N 1 3 343.515 3.012 10 0 EGAEHO CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001724884334 1425266442 /nfs/dbraw/zinc/26/64/42/1425266442.db2.gz MEVIVQGBFAWTPM-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001724890969 1425278055 /nfs/dbraw/zinc/27/80/55/1425278055.db2.gz IMXVEQNINFBDNZ-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725060435 1425500465 /nfs/dbraw/zinc/50/04/65/1425500465.db2.gz UEHSNNSPYKBVQC-FQEVSTJZSA-N 1 3 345.531 3.331 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725060435 1425500469 /nfs/dbraw/zinc/50/04/69/1425500469.db2.gz UEHSNNSPYKBVQC-FQEVSTJZSA-N 1 3 345.531 3.331 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001725159157 1425654847 /nfs/dbraw/zinc/65/48/47/1425654847.db2.gz HACLOTQBYCKYGR-AZUAARDMSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001725159157 1425654852 /nfs/dbraw/zinc/65/48/52/1425654852.db2.gz HACLOTQBYCKYGR-AZUAARDMSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccccc1C[NH2+][C@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001725216088 1425781263 /nfs/dbraw/zinc/78/12/63/1425781263.db2.gz ZXDFPWOAXIIUJS-HXUWFJFHSA-N 1 3 345.531 3.054 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725451957 1426117632 /nfs/dbraw/zinc/11/76/32/1426117632.db2.gz GYVITCMESDRJSJ-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)[C@H]2CCCN2C)C(C)C)c1 ZINC001725726308 1426386770 /nfs/dbraw/zinc/38/67/70/1426386770.db2.gz SHQPBIPWOMHECU-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cc(C)cc(C[N@H+](C)CCN(C(=O)[C@H]2CCCN2C)C(C)C)c1 ZINC001725726308 1426386777 /nfs/dbraw/zinc/38/67/77/1426386777.db2.gz SHQPBIPWOMHECU-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730216 1426398382 /nfs/dbraw/zinc/39/83/82/1426398382.db2.gz QKGOCSOBOXFIIS-MSOLQXFVSA-N 1 3 348.535 3.337 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730216 1426398385 /nfs/dbraw/zinc/39/83/85/1426398385.db2.gz QKGOCSOBOXFIIS-MSOLQXFVSA-N 1 3 348.535 3.337 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001725743489 1426420086 /nfs/dbraw/zinc/42/00/86/1426420086.db2.gz ZDMSTVUASCJWTK-MOPGFXCFSA-N 1 3 345.531 3.182 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001725764618 1426446961 /nfs/dbraw/zinc/44/69/61/1426446961.db2.gz YOWGSHIICWHUBK-GOSISDBHSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCC2CCCC2)CC1)N(C)C ZINC001725770598 1426454731 /nfs/dbraw/zinc/45/47/31/1426454731.db2.gz FEECKLDTRWGOHE-LPHOPBHVSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725798804 1426483236 /nfs/dbraw/zinc/48/32/36/1426483236.db2.gz ZEGNPYWZXNFFQC-CALCHBBNSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544553 1427560604 /nfs/dbraw/zinc/56/06/04/1427560604.db2.gz WFFCNFYARQTHPK-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1)N1CCCCCC1 ZINC001731544553 1427560610 /nfs/dbraw/zinc/56/06/10/1427560610.db2.gz WFFCNFYARQTHPK-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)c(C)c1 ZINC001731621821 1427672208 /nfs/dbraw/zinc/67/22/08/1427672208.db2.gz HPPCKARFHVGMGM-QUCCMNQESA-N 1 3 345.531 3.161 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688282 1427736409 /nfs/dbraw/zinc/73/64/09/1427736409.db2.gz XNXZOPZMRUNSNJ-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710163 1427765813 /nfs/dbraw/zinc/76/58/13/1427765813.db2.gz DRVVOBYGQVNNIC-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)C1 ZINC001731710163 1427765817 /nfs/dbraw/zinc/76/58/17/1427765817.db2.gz DRVVOBYGQVNNIC-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832363 1428043097 /nfs/dbraw/zinc/04/30/97/1428043097.db2.gz BFWNJQGWRXBEPF-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832363 1428043101 /nfs/dbraw/zinc/04/31/01/1428043101.db2.gz BFWNJQGWRXBEPF-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842344 1428065109 /nfs/dbraw/zinc/06/51/09/1428065109.db2.gz PDDMFJAGFLSHKN-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842344 1428065115 /nfs/dbraw/zinc/06/51/15/1428065115.db2.gz PDDMFJAGFLSHKN-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001731852067 1428082118 /nfs/dbraw/zinc/08/21/18/1428082118.db2.gz BDRNFBDYLNUMCZ-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001731852067 1428082121 /nfs/dbraw/zinc/08/21/21/1428082121.db2.gz BDRNFBDYLNUMCZ-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001733688311 1429904280 /nfs/dbraw/zinc/90/42/80/1429904280.db2.gz CEBKVDFDWFMSRP-QOPIIRDPSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733974235 1437774212 /nfs/dbraw/zinc/77/42/12/1437774212.db2.gz UDALGOAMZTXZEG-SJORKVTESA-N 1 3 325.541 3.170 10 0 EGAEHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001734013633 1437804841 /nfs/dbraw/zinc/80/48/41/1437804841.db2.gz QONLZRZOTNXVPT-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262029 1437979392 /nfs/dbraw/zinc/97/93/92/1437979392.db2.gz HQUCFFFVSHHCHP-MJGOQNOKSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)=CCN1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001734456711 1438114062 /nfs/dbraw/zinc/11/40/62/1438114062.db2.gz IAWQVQWIQLMXKN-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CN1CCC[C@H](C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000092253951 218130262 /nfs/dbraw/zinc/13/02/62/218130262.db2.gz CRIYUTDLBXXENC-IBGZPJMESA-N 1 3 339.483 3.434 10 0 EGAEHO CN1CCC[C@H](C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000092253951 218130265 /nfs/dbraw/zinc/13/02/65/218130265.db2.gz CRIYUTDLBXXENC-IBGZPJMESA-N 1 3 339.483 3.434 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000268746463 252197411 /nfs/dbraw/zinc/19/74/11/252197411.db2.gz HUBNJVKMOBLGEZ-LAUBAEHRSA-N 1 3 327.516 3.113 10 0 EGAEHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000246832272 141037407 /nfs/dbraw/zinc/03/74/07/141037407.db2.gz ALSAMGSZCPNMGE-VQTJNVASSA-N 1 3 333.495 3.079 10 0 EGAEHO COC(C)(C)CCN1CCC[C@H]([N@H+](C)CCC(C)(C)OC)CC1 ZINC000346440131 141194818 /nfs/dbraw/zinc/19/48/18/141194818.db2.gz WUMOQEWCJRKWPA-KRWDZBQOSA-N 1 3 328.541 3.403 10 0 EGAEHO COC(C)(C)CCN1CCC[C@H]([N@@H+](C)CCC(C)(C)OC)CC1 ZINC000346440131 141194821 /nfs/dbraw/zinc/19/48/21/141194821.db2.gz WUMOQEWCJRKWPA-KRWDZBQOSA-N 1 3 328.541 3.403 10 0 EGAEHO COC(C)(C)CCN(C)[C@H]1CCC[N@H+](CCC(C)(C)OC)CC1 ZINC000346440131 141194823 /nfs/dbraw/zinc/19/48/23/141194823.db2.gz WUMOQEWCJRKWPA-KRWDZBQOSA-N 1 3 328.541 3.403 10 0 EGAEHO COC(C)(C)CCN(C)[C@H]1CCC[N@@H+](CCC(C)(C)OC)CC1 ZINC000346440131 141194826 /nfs/dbraw/zinc/19/48/26/141194826.db2.gz WUMOQEWCJRKWPA-KRWDZBQOSA-N 1 3 328.541 3.403 10 0 EGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000352930442 141270810 /nfs/dbraw/zinc/27/08/10/141270810.db2.gz KKTKPCOIWNNIBY-HXUWFJFHSA-N 1 3 345.531 3.361 10 0 EGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000352930442 141270813 /nfs/dbraw/zinc/27/08/13/141270813.db2.gz KKTKPCOIWNNIBY-HXUWFJFHSA-N 1 3 345.531 3.361 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000354606003 141313711 /nfs/dbraw/zinc/31/37/11/141313711.db2.gz UOMIITFWFWECAC-LJQANCHMSA-N 1 3 347.503 3.220 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)o1 ZINC000353494359 292255153 /nfs/dbraw/zinc/25/51/53/292255153.db2.gz BOYVXNJVCITSCN-MKXGPGLRSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)o1 ZINC000353494359 292255156 /nfs/dbraw/zinc/25/51/56/292255156.db2.gz BOYVXNJVCITSCN-MKXGPGLRSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)N2CCCC2)o1 ZINC000353494359 292255159 /nfs/dbraw/zinc/25/51/59/292255159.db2.gz BOYVXNJVCITSCN-MKXGPGLRSA-N 1 3 331.504 3.187 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189560890 153078466 /nfs/dbraw/zinc/07/84/66/153078466.db2.gz UDGWEJPXQNOFDL-GOEBONIOSA-N 1 3 336.442 3.276 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189560890 153078470 /nfs/dbraw/zinc/07/84/70/153078470.db2.gz UDGWEJPXQNOFDL-GOEBONIOSA-N 1 3 336.442 3.276 10 0 EGAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2ccccc2)no1 ZINC000193056189 153274625 /nfs/dbraw/zinc/27/46/25/153274625.db2.gz HCSNKONTGCOTPD-LNRIEFBSSA-N 1 3 326.444 3.055 10 0 EGAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccccc2)no1 ZINC000193056189 153274627 /nfs/dbraw/zinc/27/46/27/153274627.db2.gz HCSNKONTGCOTPD-LNRIEFBSSA-N 1 3 326.444 3.055 10 0 EGAEHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1nc(-c2ccccc2)no1 ZINC000193056189 153274633 /nfs/dbraw/zinc/27/46/33/153274633.db2.gz HCSNKONTGCOTPD-LNRIEFBSSA-N 1 3 326.444 3.055 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000336876261 154225992 /nfs/dbraw/zinc/22/59/92/154225992.db2.gz BXVOCSUFYJHWBI-RCCFBDPRSA-N 1 3 326.488 3.327 10 0 EGAEHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337984122 154591353 /nfs/dbraw/zinc/59/13/53/154591353.db2.gz ATENYSAMIGOVAU-LEWJYISDSA-N 1 3 328.500 3.312 10 0 EGAEHO COc1c(C)cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000093734995 162025241 /nfs/dbraw/zinc/02/52/41/162025241.db2.gz LKKFLWPDOZDNTI-UHFFFAOYSA-N 1 3 346.515 3.389 10 0 EGAEHO C[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338785313 163348371 /nfs/dbraw/zinc/34/83/71/163348371.db2.gz MZPWIZUXGRZTLT-VDGAXYAQSA-N 1 3 339.483 3.304 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344599335 164197131 /nfs/dbraw/zinc/19/71/31/164197131.db2.gz DVAPFINDMOUBJE-WMZOPIPTSA-N 1 3 331.504 3.106 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CN1CCCCC1 ZINC000352163632 165264889 /nfs/dbraw/zinc/26/48/89/165264889.db2.gz FKGHKHVUFMWMAW-KRWDZBQOSA-N 1 3 326.488 3.299 10 0 EGAEHO c1ccc(CCN2CCC([NH2+]C3CC(N4CCCCC4)C3)CC2)cc1 ZINC000366280227 168102027 /nfs/dbraw/zinc/10/20/27/168102027.db2.gz IMPUVAFGJYOEOX-UHFFFAOYSA-N 1 3 341.543 3.300 10 0 EGAEHO Cn1cc(-c2ccc(CN3CCC(C[NH+]4CCCC4)CC3)s2)cn1 ZINC000367344628 168211416 /nfs/dbraw/zinc/21/14/16/168211416.db2.gz ZLECHSQYTLOQAN-UHFFFAOYSA-N 1 3 344.528 3.456 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177966 309065039 /nfs/dbraw/zinc/06/50/39/309065039.db2.gz JKWXXXCSELWHRZ-DLBZAZTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177966 309065040 /nfs/dbraw/zinc/06/50/40/309065040.db2.gz JKWXXXCSELWHRZ-DLBZAZTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@H](NCc1ccc2cncn2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000414188993 309065812 /nfs/dbraw/zinc/06/58/12/309065812.db2.gz QVIXNCAKFTVPKL-INIZCTEOSA-N 1 3 338.455 3.126 10 0 EGAEHO OC1(C[NH2+]C2CCC3(CC3)CC2)CCN(Cc2ccccc2)CC1 ZINC000414304230 309071630 /nfs/dbraw/zinc/07/16/30/309071630.db2.gz MAAKKGJBAINGSW-UHFFFAOYSA-N 1 3 328.500 3.326 10 0 EGAEHO OC1(C[NH2+][C@@H]2CCC23CCCC3)CCN(Cc2ccccc2)CC1 ZINC000414309495 309072199 /nfs/dbraw/zinc/07/21/99/309072199.db2.gz RVQOMBIYCLWXKL-LJQANCHMSA-N 1 3 328.500 3.326 10 0 EGAEHO C[C@H](Cc1ccccc1)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000248537650 308005194 /nfs/dbraw/zinc/00/51/94/308005194.db2.gz AABXUNXETWZRNG-NJYVYQBISA-N 1 3 343.559 3.356 10 0 EGAEHO C[C@H](Cc1ccccc1)CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000248537650 308005195 /nfs/dbraw/zinc/00/51/95/308005195.db2.gz AABXUNXETWZRNG-NJYVYQBISA-N 1 3 343.559 3.356 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000293728539 308156617 /nfs/dbraw/zinc/15/66/17/308156617.db2.gz MVBLFTCBLWILSM-JQWIXIFHSA-N 1 3 329.307 3.429 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000293753528 308158814 /nfs/dbraw/zinc/15/88/14/308158814.db2.gz OISYNUGYDXDHGC-CVEARBPZSA-N 1 3 331.460 3.026 10 0 EGAEHO CCOc1cc2nccc(N3CC[NH+]4CCC3CC4)c2cc1OCC ZINC000302778938 308745123 /nfs/dbraw/zinc/74/51/23/308745123.db2.gz QKJDEBVBVXHZHS-UHFFFAOYSA-N 1 3 341.455 3.317 10 0 EGAEHO C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000397554269 308904495 /nfs/dbraw/zinc/90/44/95/308904495.db2.gz JYXWIQBNSFVULD-QWFCFKBJSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@@H]1CCC[NH2+]C1 ZINC000414865213 309106347 /nfs/dbraw/zinc/10/63/47/309106347.db2.gz ZCMQZKPRDJGKJT-NWDGAFQWSA-N 1 3 329.257 3.108 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414910409 309108841 /nfs/dbraw/zinc/10/88/41/309108841.db2.gz CSBWPWVETUYPRX-LERXQTSPSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414910409 309108842 /nfs/dbraw/zinc/10/88/42/309108842.db2.gz CSBWPWVETUYPRX-LERXQTSPSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414952149 309111117 /nfs/dbraw/zinc/11/11/17/309111117.db2.gz QNZLDPZFTZFASL-SUNKGSAMSA-N 1 3 329.257 3.249 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414952149 309111118 /nfs/dbraw/zinc/11/11/18/309111118.db2.gz QNZLDPZFTZFASL-SUNKGSAMSA-N 1 3 329.257 3.249 10 0 EGAEHO Fc1ccc(OCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000415078660 309118743 /nfs/dbraw/zinc/11/87/43/309118743.db2.gz GRJBRSOUSROMHF-SJLPKXTDSA-N 1 3 332.394 3.427 10 0 EGAEHO CC(C)C[C@H](N)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415079086 309118804 /nfs/dbraw/zinc/11/88/04/309118804.db2.gz HEZJDTJVXZQTBN-YJBOKZPZSA-N 1 3 340.471 3.358 10 0 EGAEHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707017 309364038 /nfs/dbraw/zinc/36/40/38/309364038.db2.gz GLMCYCNKRNPIGE-MTQWCTHYSA-N 1 3 333.495 3.329 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000422757171 309366865 /nfs/dbraw/zinc/36/68/65/309366865.db2.gz IFPJIIVCNSSNOH-NWDGAFQWSA-N 1 3 335.398 3.245 10 0 EGAEHO COC[C@@H](CCC[NH3+])NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858138 309372311 /nfs/dbraw/zinc/37/23/11/309372311.db2.gz INFYFNBKSCQSNL-CYBMUJFWSA-N 1 3 345.468 3.400 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422876109 309373413 /nfs/dbraw/zinc/37/34/13/309373413.db2.gz PUSWFMABSJUSJV-ZSYWTGECSA-N 1 3 343.515 3.174 10 0 EGAEHO Fc1ccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934610 309376904 /nfs/dbraw/zinc/37/69/04/309376904.db2.gz GAYXVVAGOMSPEI-QUCCMNQESA-N 1 3 342.414 3.050 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423045224 309382812 /nfs/dbraw/zinc/38/28/12/309382812.db2.gz CPILCEMDVJTKDB-HZUJVAHNSA-N 1 3 338.499 3.020 10 0 EGAEHO COCCCOc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423098702 309385954 /nfs/dbraw/zinc/38/59/54/309385954.db2.gz DIWKTZSYFISEAH-OAHLLOKOSA-N 1 3 343.471 3.115 10 0 EGAEHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1)N1CCCCC1 ZINC000423106561 309386284 /nfs/dbraw/zinc/38/62/84/309386284.db2.gz ZZTFLCZJMWJOFP-UJMXGEILSA-N 1 3 347.547 3.068 10 0 EGAEHO CC[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000423183730 309389531 /nfs/dbraw/zinc/38/95/31/309389531.db2.gz GUCRFRMSGKFDTR-GOSISDBHSA-N 1 3 341.455 3.073 10 0 EGAEHO Cc1ccc([C@@H](CCn2cncn2)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423242518 309392057 /nfs/dbraw/zinc/39/20/57/309392057.db2.gz MCQJCYYELJCCJH-WOJBJXKFSA-N 1 3 335.455 3.008 10 0 EGAEHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423390766 309398448 /nfs/dbraw/zinc/39/84/48/309398448.db2.gz KKGDORYAFIBZQP-RLFYNMQTSA-N 1 3 332.492 3.209 10 0 EGAEHO CCN1CC[C@@H](C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449088546 310036109 /nfs/dbraw/zinc/03/61/09/310036109.db2.gz HXSFETDHNPGZHZ-ICSRJNTNSA-N 1 3 329.532 3.013 10 0 EGAEHO CSC[C@@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449166204 310041778 /nfs/dbraw/zinc/04/17/78/310041778.db2.gz ZFPMQOQMDUQVQM-SFHVURJKSA-N 1 3 330.582 3.369 10 0 EGAEHO CO[C@H]1COCC[C@@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457555 310063494 /nfs/dbraw/zinc/06/34/94/310063494.db2.gz HQUARAJPOOARBZ-AEFFLSMTSA-N 1 3 340.552 3.307 10 0 EGAEHO CO[C@H]1COCC[C@@H]1C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449457555 310063495 /nfs/dbraw/zinc/06/34/95/310063495.db2.gz HQUARAJPOOARBZ-AEFFLSMTSA-N 1 3 340.552 3.307 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(CC)OC)CC1 ZINC000449478371 310065378 /nfs/dbraw/zinc/06/53/78/310065378.db2.gz RQUANUZJXNPYDG-FQEVSTJZSA-N 1 3 333.520 3.123 10 0 EGAEHO CC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027442 310253433 /nfs/dbraw/zinc/25/34/33/310253433.db2.gz VJADXVOARBQZPS-UXHICEINSA-N 1 3 330.516 3.380 10 0 EGAEHO CC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027442 310253434 /nfs/dbraw/zinc/25/34/34/310253434.db2.gz VJADXVOARBQZPS-UXHICEINSA-N 1 3 330.516 3.380 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@H](NCC3=CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453280644 310269020 /nfs/dbraw/zinc/26/90/20/310269020.db2.gz FYPSUNQLHRTVEO-NJDAHSKKSA-N 1 3 326.484 3.366 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@H](NCC3=CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453280644 310269021 /nfs/dbraw/zinc/26/90/21/310269021.db2.gz FYPSUNQLHRTVEO-NJDAHSKKSA-N 1 3 326.484 3.366 10 0 EGAEHO CN(C)CC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCCC1 ZINC000453576595 310282617 /nfs/dbraw/zinc/28/26/17/310282617.db2.gz WEUKUMPCARRDMZ-UHFFFAOYSA-N 1 3 330.501 3.417 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064485 314022931 /nfs/dbraw/zinc/02/29/31/314022931.db2.gz VINNNWPTFJGDJN-KBPBESRZSA-N 1 3 327.875 3.156 10 0 EGAEHO c1ccc2c(CN3CCC(OCC[NH+]4CCCC4)CC3)ccnc2c1 ZINC000536665887 314136859 /nfs/dbraw/zinc/13/68/59/314136859.db2.gz FXNLGYLJQTUPAD-UHFFFAOYSA-N 1 3 339.483 3.312 10 0 EGAEHO CN(C)[C@@H]1CCOc2c(NC3CC[NH+](CC4CC4)CC3)cccc21 ZINC000567551716 316632728 /nfs/dbraw/zinc/63/27/28/316632728.db2.gz IGPNCDOUZCUZSA-LJQANCHMSA-N 1 3 329.488 3.358 10 0 EGAEHO Fc1cccc(-c2cnc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407972 317196085 /nfs/dbraw/zinc/19/60/85/317196085.db2.gz OCALOOHOPJXDDE-CVEARBPZSA-N 1 3 329.419 3.302 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1ccsc1 ZINC000572731168 317383877 /nfs/dbraw/zinc/38/38/77/317383877.db2.gz CAHDKIPFKNLTKG-GOSISDBHSA-N 1 3 345.512 3.062 10 0 EGAEHO CCC[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180044853 323420633 /nfs/dbraw/zinc/42/06/33/323420633.db2.gz HUKJSFXKSUVCTE-QGZVFWFLSA-N 1 3 331.504 3.038 10 0 EGAEHO COc1cccc2c1CCC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000580708727 325286884 /nfs/dbraw/zinc/28/68/84/325286884.db2.gz PYCBAHCNXOWNME-LJQANCHMSA-N 1 3 325.456 3.237 10 0 EGAEHO COc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1OC ZINC000581005743 325320131 /nfs/dbraw/zinc/32/01/31/325320131.db2.gz HSPGNPUMRSVNMT-OKZBNKHCSA-N 1 3 332.488 3.147 10 0 EGAEHO C[C@H](N[C@@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809177 460568530 /nfs/dbraw/zinc/56/85/30/460568530.db2.gz MHLZSOXWOHHQJW-MAUKXSAKSA-N 1 3 328.460 3.009 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475600 460570670 /nfs/dbraw/zinc/57/06/70/460570670.db2.gz UDVXCUWPGVOEHH-GDBMZVCRSA-N 1 3 328.460 3.303 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475600 460570672 /nfs/dbraw/zinc/57/06/72/460570672.db2.gz UDVXCUWPGVOEHH-GDBMZVCRSA-N 1 3 328.460 3.303 10 0 EGAEHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000623477848 460570692 /nfs/dbraw/zinc/57/06/92/460570692.db2.gz ULXLXQAMISBJPO-FHLIZLRMSA-N 1 3 337.458 3.172 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000245679784 455354231 /nfs/dbraw/zinc/35/42/31/455354231.db2.gz IQBNEOWUVRWBKG-QYWQTSRKSA-N 1 3 339.527 3.397 10 0 EGAEHO C[C@@H](NCCOCCC[NH3+])c1cc2cc(Br)ccc2o1 ZINC000629537985 460799752 /nfs/dbraw/zinc/79/97/52/460799752.db2.gz LNNMDAZSKITWMY-LLVKDONJSA-N 1 3 341.249 3.211 10 0 EGAEHO CN1CCCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000245937929 455404080 /nfs/dbraw/zinc/40/40/80/455404080.db2.gz AGVGHBLLDJYRAD-IBGZPJMESA-N 1 3 335.923 3.408 10 0 EGAEHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1Cl ZINC000047972956 454426062 /nfs/dbraw/zinc/42/60/62/454426062.db2.gz UDMSHLWQIZLKIN-UHFFFAOYSA-N 1 3 349.906 3.476 10 0 EGAEHO CN(C)c1ccncc1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121791330 454478122 /nfs/dbraw/zinc/47/81/22/454478122.db2.gz NJNNGFBRXAFIQV-OAQYLSRUSA-N 1 3 338.499 3.292 10 0 EGAEHO CN(C)c1ccncc1CNC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121791330 454478126 /nfs/dbraw/zinc/47/81/26/454478126.db2.gz NJNNGFBRXAFIQV-OAQYLSRUSA-N 1 3 338.499 3.292 10 0 EGAEHO CCC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC000162171522 454756774 /nfs/dbraw/zinc/75/67/74/454756774.db2.gz LAVVMBXEUYBFCH-LPHOPBHVSA-N 1 3 331.504 3.059 10 0 EGAEHO [NH3+]C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCCCCC1 ZINC000237779119 455216968 /nfs/dbraw/zinc/21/69/68/455216968.db2.gz HOFLYFKSAVJRQM-UHFFFAOYSA-N 1 3 329.488 3.064 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc2c(c1)sc(=O)n2C ZINC000192476840 455627954 /nfs/dbraw/zinc/62/79/54/455627954.db2.gz DAALQDAVPXSCEH-HNNXBMFYSA-N 1 3 347.528 3.344 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc2c(c1)sc(=O)n2C ZINC000192476840 455627959 /nfs/dbraw/zinc/62/79/59/455627959.db2.gz DAALQDAVPXSCEH-HNNXBMFYSA-N 1 3 347.528 3.344 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000250103297 455784792 /nfs/dbraw/zinc/78/47/92/455784792.db2.gz RTHZYOGYCFTYBW-XUVXKRRUSA-N 1 3 328.500 3.039 10 0 EGAEHO COc1ccc([C@H](C)NCCCC[NH+](C)C)c(Br)c1 ZINC000271860942 455790309 /nfs/dbraw/zinc/79/03/09/455790309.db2.gz KFUGIDOGEZVNQM-LBPRGKRZSA-N 1 3 329.282 3.450 10 0 EGAEHO [NH3+]Cc1ccc(-c2noc(-c3cccc(CN4CCCC4)c3)n2)cc1 ZINC000261938455 455974989 /nfs/dbraw/zinc/97/49/89/455974989.db2.gz DLFKKRJFIYPZAX-UHFFFAOYSA-N 1 3 334.423 3.458 10 0 EGAEHO COc1cc(CCC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000261995675 455982611 /nfs/dbraw/zinc/98/26/11/455982611.db2.gz SVXZTVCPCFGXAQ-IBGZPJMESA-N 1 3 346.515 3.348 10 0 EGAEHO COc1cc(CCC2CC[NH+](C[C@H]3CCCNC3)CC2)cc(OC)c1 ZINC000261995675 455982617 /nfs/dbraw/zinc/98/26/17/455982617.db2.gz SVXZTVCPCFGXAQ-IBGZPJMESA-N 1 3 346.515 3.348 10 0 EGAEHO c1ccc(OC2CCCC2)c(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261995414 455982855 /nfs/dbraw/zinc/98/28/55/455982855.db2.gz TYMGOXYILOCDEC-XUVXKRRUSA-N 1 3 344.499 3.255 10 0 EGAEHO C[C@H](NC[C@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572607 455998950 /nfs/dbraw/zinc/99/89/50/455998950.db2.gz IODFXVFSXAKRGI-VLCRHTCISA-N 1 3 338.495 3.263 10 0 EGAEHO C[C@H](NC[C@H](CO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272572607 455998952 /nfs/dbraw/zinc/99/89/52/455998952.db2.gz IODFXVFSXAKRGI-VLCRHTCISA-N 1 3 338.495 3.263 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000272766939 456065204 /nfs/dbraw/zinc/06/52/04/456065204.db2.gz MGYBOUOZJFDAGP-KVSKMBFKSA-N 1 3 326.488 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n[nH]1 ZINC000272766939 456065208 /nfs/dbraw/zinc/06/52/08/456065208.db2.gz MGYBOUOZJFDAGP-KVSKMBFKSA-N 1 3 326.488 3.149 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000281104437 456135048 /nfs/dbraw/zinc/13/50/48/456135048.db2.gz RBJIRACSNKUOCS-JQHSSLGASA-N 1 3 348.487 3.009 10 0 EGAEHO CN1CCN(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1(C)C ZINC000282242283 456452965 /nfs/dbraw/zinc/45/29/65/456452965.db2.gz JECRHMNBDUETJO-GOSISDBHSA-N 1 3 335.923 3.407 10 0 EGAEHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348465118 456700152 /nfs/dbraw/zinc/70/01/52/456700152.db2.gz KEWJVKQSFBCNMU-XBPNIJIESA-N 1 3 343.515 3.075 10 0 EGAEHO CN(C)[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000433351943 457818480 /nfs/dbraw/zinc/81/84/80/457818480.db2.gz KVXFKQYOBHFTKU-HXUWFJFHSA-N 1 3 343.515 3.014 10 0 EGAEHO CN1CCC(O)(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447545234 458308794 /nfs/dbraw/zinc/30/87/94/458308794.db2.gz WUPMAOYGCRDKCP-HXUWFJFHSA-N 1 3 342.458 3.156 10 0 EGAEHO COCCC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(Br)cc1 ZINC000423453488 458435531 /nfs/dbraw/zinc/43/55/31/458435531.db2.gz XSOJJVNIQNINPF-JMSVASOKSA-N 1 3 329.282 3.242 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423483574 458440782 /nfs/dbraw/zinc/44/07/82/458440782.db2.gz QHCLKYXHVGRKNF-RDGPPVDQSA-N 1 3 349.469 3.016 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423483574 458440784 /nfs/dbraw/zinc/44/07/84/458440784.db2.gz QHCLKYXHVGRKNF-RDGPPVDQSA-N 1 3 349.469 3.016 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531365 458452998 /nfs/dbraw/zinc/45/29/98/458452998.db2.gz SPJACLNYBXWUMO-GZINOTJKSA-N 1 3 332.532 3.325 10 0 EGAEHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Br)c(F)c2)C1 ZINC000459743125 458465517 /nfs/dbraw/zinc/46/55/17/458465517.db2.gz WHGIFJKFQGJRBN-GFCCVEGCSA-N 1 3 329.257 3.410 10 0 EGAEHO C[N@H+]1CCC[C@H](CCNCc2ccc(Br)c(F)c2)C1 ZINC000459743125 458465523 /nfs/dbraw/zinc/46/55/23/458465523.db2.gz WHGIFJKFQGJRBN-GFCCVEGCSA-N 1 3 329.257 3.410 10 0 EGAEHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NCCC[NH3+] ZINC000437772653 458491239 /nfs/dbraw/zinc/49/12/39/458491239.db2.gz KGMGOCUJJRIFJK-SECBINFHSA-N 1 3 337.773 3.014 10 0 EGAEHO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCN ZINC000437772653 458491240 /nfs/dbraw/zinc/49/12/40/458491240.db2.gz KGMGOCUJJRIFJK-SECBINFHSA-N 1 3 337.773 3.014 10 0 EGAEHO C[C@H](O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020404 458517147 /nfs/dbraw/zinc/51/71/47/458517147.db2.gz PGMWQEUQLQLUHK-ABSDTBQOSA-N 1 3 330.516 3.378 10 0 EGAEHO C[C@H](O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020404 458517149 /nfs/dbraw/zinc/51/71/49/458517149.db2.gz PGMWQEUQLQLUHK-ABSDTBQOSA-N 1 3 330.516 3.378 10 0 EGAEHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCOc1ccccc1 ZINC000438113957 458535071 /nfs/dbraw/zinc/53/50/71/458535071.db2.gz CYMFNZNIDVYVTB-MISYRCLQSA-N 1 3 332.488 3.029 10 0 EGAEHO [NH3+]CC1CCC(NCc2cc(F)c(Br)cc2F)CC1 ZINC000530220215 458721957 /nfs/dbraw/zinc/72/19/57/458721957.db2.gz MKAGXEZHPZIQEV-UHFFFAOYSA-N 1 3 333.220 3.334 10 0 EGAEHO c1ccc(OCC2CC2)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247630 458730597 /nfs/dbraw/zinc/73/05/97/458730597.db2.gz BEHBDEQZQYVNOP-HXUWFJFHSA-N 1 3 344.499 3.066 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000494926070 458765962 /nfs/dbraw/zinc/76/59/62/458765962.db2.gz WCQIEVHBKZZSSF-SFHLNBCPSA-N 1 3 329.532 3.219 10 0 EGAEHO C[C@@H]1CCCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000480620645 459209301 /nfs/dbraw/zinc/20/93/01/459209301.db2.gz VRIJXXJQENJMHO-SBHAEUEKSA-N 1 3 329.532 3.219 10 0 EGAEHO CSCC1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000595067583 459234576 /nfs/dbraw/zinc/23/45/76/459234576.db2.gz GEKOZHUJHJMTMU-MHJFOBGBSA-N 1 3 348.556 3.265 10 0 EGAEHO CC[NH+](CC)Cc1ccc(NC(=O)CCN(C)c2ccncc2)cc1 ZINC000527053558 459582980 /nfs/dbraw/zinc/58/29/80/459582980.db2.gz VNVVISSOGYTHNW-UHFFFAOYSA-N 1 3 340.471 3.388 10 0 EGAEHO CC(C)C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983001 460116583 /nfs/dbraw/zinc/11/65/83/460116583.db2.gz WYHYDPRWOGFNOT-CVEARBPZSA-N 1 3 326.525 3.453 10 0 EGAEHO CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983001 460116587 /nfs/dbraw/zinc/11/65/87/460116587.db2.gz WYHYDPRWOGFNOT-CVEARBPZSA-N 1 3 326.525 3.453 10 0 EGAEHO C[NH+](C)CCOc1ccc(CNCc2ccc3cccnc3c2)cc1 ZINC000589641689 460119527 /nfs/dbraw/zinc/11/95/27/460119527.db2.gz ZCSCSBQFSCQCRC-UHFFFAOYSA-N 1 3 335.451 3.465 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1(C)C ZINC000623383177 460520172 /nfs/dbraw/zinc/52/01/72/460520172.db2.gz HPGOFXDXFPWMSW-VQTJNVASSA-N 1 3 329.532 3.361 10 0 EGAEHO CN1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CC1(C)C ZINC000623415329 460536745 /nfs/dbraw/zinc/53/67/45/460536745.db2.gz HQERVMREGXQRCG-QGZVFWFLSA-N 1 3 339.593 3.201 10 0 EGAEHO Cn1ccnc1C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435425 460547976 /nfs/dbraw/zinc/54/79/76/460547976.db2.gz DOSLMWMRBDIZGJ-ZWKOTPCHSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623435425 460547981 /nfs/dbraw/zinc/54/79/81/460547981.db2.gz DOSLMWMRBDIZGJ-ZWKOTPCHSA-N 1 3 326.488 3.166 10 0 EGAEHO Cn1ccnc1C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000623435425 460547988 /nfs/dbraw/zinc/54/79/88/460547988.db2.gz DOSLMWMRBDIZGJ-ZWKOTPCHSA-N 1 3 326.488 3.166 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000623879265 460759072 /nfs/dbraw/zinc/75/90/72/460759072.db2.gz BSRZHWALMQDADU-DYESRHJHSA-N 1 3 346.515 3.454 10 0 EGAEHO NC1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CCOCC1 ZINC000629519924 460792678 /nfs/dbraw/zinc/79/26/78/460792678.db2.gz IXWAXQJQKDKSQL-IBGZPJMESA-N 1 3 328.431 3.207 10 0 EGAEHO C/C=C/COc1ccc(CC[C@H](C)NCC2([NH3+])CCOCC2)cc1 ZINC000629521416 460793897 /nfs/dbraw/zinc/79/38/97/460793897.db2.gz PFFKKLFGZFUWFU-IDOMTICXSA-N 1 3 332.488 3.060 10 0 EGAEHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629521651 460794071 /nfs/dbraw/zinc/79/40/71/460794071.db2.gz QCUPXYQFXSCQJQ-CYBMUJFWSA-N 1 3 331.485 3.277 10 0 EGAEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000629521649 460794533 /nfs/dbraw/zinc/79/45/33/460794533.db2.gz QBGVNYIEBBULPM-KRWDZBQOSA-N 1 3 340.467 3.424 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000629528781 460797896 /nfs/dbraw/zinc/79/78/96/460797896.db2.gz JBUHFJGPAAOKCD-AWEZNQCLSA-N 1 3 333.501 3.314 10 0 EGAEHO C[C@H](NCCOCCC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000629536046 460799895 /nfs/dbraw/zinc/79/98/95/460799895.db2.gz DPZWYNUGPIIBHE-ZDUSSCGKSA-N 1 3 338.398 3.457 10 0 EGAEHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCOCCC[NH3+] ZINC000629542481 460801121 /nfs/dbraw/zinc/80/11/21/460801121.db2.gz YYDHOFZOBLOWNJ-GFCCVEGCSA-N 1 3 337.464 3.274 10 0 EGAEHO COc1ccccc1-c1ccc([C@@H](C)NCCOCCC[NH3+])cc1 ZINC000629541941 460801438 /nfs/dbraw/zinc/80/14/38/460801438.db2.gz UOTCTQXAEHKXFI-MRXNPFEDSA-N 1 3 328.456 3.378 10 0 EGAEHO Clc1cccc2c(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556172 460804918 /nfs/dbraw/zinc/80/49/18/460804918.db2.gz LUCNAZKWNDDXAF-KBAYOESNSA-N 1 3 347.890 3.111 10 0 EGAEHO Cc1cc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)oc2cc1C ZINC000617505439 460884014 /nfs/dbraw/zinc/88/40/14/460884014.db2.gz CKJSKORXBZKPFF-INIZCTEOSA-N 1 3 345.487 3.051 10 0 EGAEHO Cc1cc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)oc2cc1C ZINC000617505439 460884021 /nfs/dbraw/zinc/88/40/21/460884021.db2.gz CKJSKORXBZKPFF-INIZCTEOSA-N 1 3 345.487 3.051 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624224100 460917821 /nfs/dbraw/zinc/91/78/21/460917821.db2.gz MNWSWKRMVOSBBF-MAODMQOUSA-N 1 3 328.500 3.239 10 0 EGAEHO CCN(Cc1ccnn1-c1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160835 461145536 /nfs/dbraw/zinc/14/55/36/461145536.db2.gz IDSYPJSBNLSMHK-UHFFFAOYSA-N 1 3 349.482 3.351 10 0 EGAEHO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662284046 461165092 /nfs/dbraw/zinc/16/50/92/461165092.db2.gz WUJIRAXLZCJYFD-ZWKOTPCHSA-N 1 3 342.508 3.451 10 0 EGAEHO OCCCOC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000663097084 461455681 /nfs/dbraw/zinc/45/56/81/461455681.db2.gz MVCSESABCZCPQV-UHFFFAOYSA-N 1 3 346.515 3.036 10 0 EGAEHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccnn2-c2ccccn2)C1 ZINC000647171324 461540253 /nfs/dbraw/zinc/54/02/53/461540253.db2.gz FXVFFUUNQSTGSW-ROUUACIJSA-N 1 3 341.503 3.115 10 0 EGAEHO OC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CCCC1 ZINC000663368863 461595231 /nfs/dbraw/zinc/59/52/31/461595231.db2.gz QADWBAGQAXXAQR-IBGZPJMESA-N 1 3 328.500 3.183 10 0 EGAEHO COC[C@H](CC(C)(C)C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201266 461646044 /nfs/dbraw/zinc/64/60/44/461646044.db2.gz MTQIZKJPYANQDQ-RIFZZMRRSA-N 1 3 332.488 3.283 10 0 EGAEHO Fc1ccc(C(C[NH2+]CC23CC(C2)CN3)c2ccc(F)cc2)cc1 ZINC000663501820 461674567 /nfs/dbraw/zinc/67/45/67/461674567.db2.gz YJDUNOXPNUAFKG-UHFFFAOYSA-N 1 3 328.406 3.438 10 0 EGAEHO Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)n1 ZINC000643466208 461736846 /nfs/dbraw/zinc/73/68/46/461736846.db2.gz CWLGKAOEOJAGDI-NUUXYWTLSA-N 1 3 332.492 3.305 10 0 EGAEHO Fc1ccc(-n2cc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786499 461897204 /nfs/dbraw/zinc/89/72/04/461897204.db2.gz TWFZEAKRQRAAEJ-SFHVURJKSA-N 1 3 342.462 3.223 10 0 EGAEHO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccnn2-c2ccncc2)C1 ZINC000657357377 462069219 /nfs/dbraw/zinc/06/92/19/462069219.db2.gz NAPRXCUSTVXRHE-KRWDZBQOSA-N 1 3 341.503 3.258 10 0 EGAEHO C[C@H]1C[C@H](CCNCc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415865 462108864 /nfs/dbraw/zinc/10/88/64/462108864.db2.gz ODELTFWJOIDRLG-HKUYNNGSSA-N 1 3 338.499 3.220 10 0 EGAEHO C[C@H]1C[C@H](CCNCc2cnn3c2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657415865 462108870 /nfs/dbraw/zinc/10/88/70/462108870.db2.gz ODELTFWJOIDRLG-HKUYNNGSSA-N 1 3 338.499 3.220 10 0 EGAEHO COc1ccc([C@H]2CCN(Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667569657 462148821 /nfs/dbraw/zinc/14/88/21/462148821.db2.gz PGVMHRIPBGUKME-KRWDZBQOSA-N 1 3 334.423 3.265 10 0 EGAEHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657595363 462196053 /nfs/dbraw/zinc/19/60/53/462196053.db2.gz HEGSUDDYEYHNTK-IOMROCGXSA-N 1 3 328.500 3.335 10 0 EGAEHO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657597008 462199372 /nfs/dbraw/zinc/19/93/72/462199372.db2.gz QPRIOYWCGMNBEV-PGRDOPGGSA-N 1 3 338.495 3.282 10 0 EGAEHO C[C@H](N)C[C@H](C)[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265068 462375149 /nfs/dbraw/zinc/37/51/49/462375149.db2.gz ONEQBQLKCTWSNU-STQMWFEESA-N 1 3 325.294 3.487 10 0 EGAEHO C[C@H]([NH3+])C[C@H](C)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000665265068 462375153 /nfs/dbraw/zinc/37/51/53/462375153.db2.gz ONEQBQLKCTWSNU-STQMWFEESA-N 1 3 325.294 3.487 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263343 462376071 /nfs/dbraw/zinc/37/60/71/462376071.db2.gz KTXGIDDHGVMRBJ-FNHZYXHNSA-N 1 3 325.456 3.072 10 0 EGAEHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1nccc2ccccc21 ZINC000658109307 462390073 /nfs/dbraw/zinc/39/00/73/462390073.db2.gz VOQGYIGFYTZNFA-DLBZAZTESA-N 1 3 328.504 3.157 10 0 EGAEHO FC1(F)Oc2ccc(CCNC3CC[NH+](CC4CC4)CC3)cc2O1 ZINC000652041958 462415668 /nfs/dbraw/zinc/41/56/68/462415668.db2.gz ZHAUVUQFLPHQLC-UHFFFAOYSA-N 1 3 338.398 3.015 10 0 EGAEHO Cc1cncc(CCNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000658262306 462446533 /nfs/dbraw/zinc/44/65/33/462446533.db2.gz QIYAICBBMNSOAJ-SFHVURJKSA-N 1 3 338.499 3.013 10 0 EGAEHO CN(CCN(Cc1ccccc1)C[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000649414286 462502929 /nfs/dbraw/zinc/50/29/29/462502929.db2.gz QAFAJYMTUKOKIB-QFIPXVFZSA-N 1 3 337.511 3.230 10 0 EGAEHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000187384286 536778472 /nfs/dbraw/zinc/77/84/72/536778472.db2.gz XJTRMKKLCVOHDX-UHFFFAOYSA-N 1 3 333.520 3.269 10 0 EGAEHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000187384286 536778475 /nfs/dbraw/zinc/77/84/75/536778475.db2.gz XJTRMKKLCVOHDX-UHFFFAOYSA-N 1 3 333.520 3.269 10 0 EGAEHO CCC[NH+]1CCC(N[C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675922999 549005466 /nfs/dbraw/zinc/00/54/66/549005466.db2.gz QYKJNMJLNORVRY-IBGZPJMESA-N 1 3 326.488 3.168 10 0 EGAEHO CCCN1CCC([NH2+][C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675922999 549005472 /nfs/dbraw/zinc/00/54/72/549005472.db2.gz QYKJNMJLNORVRY-IBGZPJMESA-N 1 3 326.488 3.168 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000679022339 549616802 /nfs/dbraw/zinc/61/68/02/549616802.db2.gz DATYIKYOXODCCE-XUVXKRRUSA-N 1 3 348.494 3.217 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@@H]2CC[N@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000679022339 549616806 /nfs/dbraw/zinc/61/68/06/549616806.db2.gz DATYIKYOXODCCE-XUVXKRRUSA-N 1 3 348.494 3.217 10 0 EGAEHO CO[C@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000684371182 550321218 /nfs/dbraw/zinc/32/12/18/550321218.db2.gz MEIJOITXYCYQLP-FPOVZHCZSA-N 1 3 345.531 3.136 10 0 EGAEHO C[N@H+](CCCCCC[NH3+])Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000872155334 1296773053 /nfs/dbraw/zinc/77/30/53/1296773053.db2.gz IZPGNIMGUNLGKN-UHFFFAOYSA-N 1 3 328.416 3.033 10 0 EGAEHO C[N@@H+](CCCCCC[NH3+])Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000872155334 1296773069 /nfs/dbraw/zinc/77/30/69/1296773069.db2.gz IZPGNIMGUNLGKN-UHFFFAOYSA-N 1 3 328.416 3.033 10 0 EGAEHO CC(C)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000398079059 1297714384 /nfs/dbraw/zinc/71/43/84/1297714384.db2.gz GKGCCIAICJAQGG-WIYYLYMNSA-N 1 3 329.532 3.359 10 0 EGAEHO CN(Cc1ccccc1)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000717553369 1298301840 /nfs/dbraw/zinc/30/18/40/1298301840.db2.gz DBDNVAKBPDCACP-JOCHJYFZSA-N 1 3 338.495 3.491 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000925774775 1325293564 /nfs/dbraw/zinc/29/35/64/1325293564.db2.gz CIBPBRZRDMGGKC-RISCZKNCSA-N 1 3 345.231 3.271 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CC1)COCCO2 ZINC000895695959 1309470982 /nfs/dbraw/zinc/47/09/82/1309470982.db2.gz KDJZYKYZNIVUMW-UHFFFAOYSA-N 1 3 346.515 3.026 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CC1)COCCO2 ZINC000895695959 1309470987 /nfs/dbraw/zinc/47/09/87/1309470987.db2.gz KDJZYKYZNIVUMW-UHFFFAOYSA-N 1 3 346.515 3.026 10 0 EGAEHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)c2c1 ZINC000925485851 1325172878 /nfs/dbraw/zinc/17/28/78/1325172878.db2.gz DPVVERKODCKKAM-PZJWPPBQSA-N 1 3 341.499 3.477 10 0 EGAEHO COc1ccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c(OC)c1 ZINC000925513752 1325185991 /nfs/dbraw/zinc/18/59/91/1325185991.db2.gz AUKIGKMJQMZGRZ-MOPGFXCFSA-N 1 3 332.488 3.004 10 0 EGAEHO CC[C@@H]1Oc2cc([C@H](C)N[C@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529105 1325192154 /nfs/dbraw/zinc/19/21/54/1325192154.db2.gz YWFRTNLYTQDWRZ-QEWYBTABSA-N 1 3 345.487 3.353 10 0 EGAEHO CC[C@@H]1Oc2cc([C@H](C)N[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529102 1325192482 /nfs/dbraw/zinc/19/24/82/1325192482.db2.gz YWFRTNLYTQDWRZ-FAYQHZLMSA-N 1 3 345.487 3.353 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000925530641 1325193378 /nfs/dbraw/zinc/19/33/78/1325193378.db2.gz GFKXPZUAIYSBAX-NFAWXSAZSA-N 1 3 346.393 3.114 10 0 EGAEHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925584051 1325221326 /nfs/dbraw/zinc/22/13/26/1325221326.db2.gz OWCVXJZYJBWENB-WKPIXPDZSA-N 1 3 341.268 3.379 10 0 EGAEHO Fc1ccc(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1F ZINC000925638239 1325242730 /nfs/dbraw/zinc/24/27/30/1325242730.db2.gz YXYZEHSCSBNBGY-GDBMZVCRSA-N 1 3 326.406 3.404 10 0 EGAEHO Fc1ccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c(F)c1F ZINC000925638239 1325242739 /nfs/dbraw/zinc/24/27/39/1325242739.db2.gz YXYZEHSCSBNBGY-GDBMZVCRSA-N 1 3 326.406 3.404 10 0 EGAEHO CC1(C)[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925648096 1325245781 /nfs/dbraw/zinc/24/57/81/1325245781.db2.gz OJYRCMFPDQTGHP-IEWDOMPSSA-N 1 3 332.463 3.412 10 0 EGAEHO CC1(C)[C@H](N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648096 1325245791 /nfs/dbraw/zinc/24/57/91/1325245791.db2.gz OJYRCMFPDQTGHP-IEWDOMPSSA-N 1 3 332.463 3.412 10 0 EGAEHO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC2 ZINC000925658086 1325252195 /nfs/dbraw/zinc/25/21/95/1325252195.db2.gz NCLYNLXJBUJZBO-GUDVDZBRSA-N 1 3 330.520 3.079 10 0 EGAEHO CC1(C)C[C@@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925728223 1325272387 /nfs/dbraw/zinc/27/23/87/1325272387.db2.gz JYJVAHQIVSLANC-TVFCKZIOSA-N 1 3 330.472 3.004 10 0 EGAEHO CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926693775 1327670128 /nfs/dbraw/zinc/67/01/28/1327670128.db2.gz PXILMCZQKMFEFO-UXHICEINSA-N 1 3 333.520 3.213 10 0 EGAEHO CC(C)CC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1 ZINC000926879774 1327753689 /nfs/dbraw/zinc/75/36/89/1327753689.db2.gz WJCIZERZITXLEL-QGZVKYPTSA-N 1 3 338.536 3.059 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865835465 1329743700 /nfs/dbraw/zinc/74/37/00/1329743700.db2.gz RGUBNTPBQZFXQD-CENPHQPOSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865835465 1329743702 /nfs/dbraw/zinc/74/37/02/1329743702.db2.gz RGUBNTPBQZFXQD-CENPHQPOSA-N 1 3 347.300 3.304 10 0 EGAEHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001323287751 1387324795 /nfs/dbraw/zinc/32/47/95/1387324795.db2.gz UHUGARSGXPFWJT-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001323287751 1387324801 /nfs/dbraw/zinc/32/48/01/1387324801.db2.gz UHUGARSGXPFWJT-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001323509067 1387379023 /nfs/dbraw/zinc/37/90/23/1387379023.db2.gz RAIPIBVMFPOLEW-QZTJIDSGSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccc(C[NH+]2CCC(C)(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001324904132 1387813554 /nfs/dbraw/zinc/81/35/54/1387813554.db2.gz FIFDLKHSIOMENQ-UHFFFAOYSA-N 1 3 345.531 3.054 10 0 EGAEHO C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960677 1387855889 /nfs/dbraw/zinc/85/58/89/1387855889.db2.gz IGJDXAHWJKOJRK-GHTZIAJQSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960677 1387855896 /nfs/dbraw/zinc/85/58/96/1387855896.db2.gz IGJDXAHWJKOJRK-GHTZIAJQSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)CC(C)(C)C ZINC001327148568 1388406006 /nfs/dbraw/zinc/40/60/06/1388406006.db2.gz UAJOZDAZGODBOZ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)CC(C)(C)C ZINC001327148568 1388406010 /nfs/dbraw/zinc/40/60/10/1388406010.db2.gz UAJOZDAZGODBOZ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)CCC2CCCCC2)CCC1 ZINC001327212760 1388444738 /nfs/dbraw/zinc/44/47/38/1388444738.db2.gz HYTRWTBJRXVPET-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)CCC2CCCCC2)CCC1 ZINC001327212760 1388444742 /nfs/dbraw/zinc/44/47/42/1388444742.db2.gz HYTRWTBJRXVPET-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001267250854 1377432740 /nfs/dbraw/zinc/43/27/40/1377432740.db2.gz XBDWKJBFTUSWFC-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001267250854 1377432742 /nfs/dbraw/zinc/43/27/42/1377432742.db2.gz XBDWKJBFTUSWFC-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001268741761 1377523601 /nfs/dbraw/zinc/52/36/01/1377523601.db2.gz YBPJVNBNBVJTJX-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001268741761 1377523604 /nfs/dbraw/zinc/52/36/04/1377523604.db2.gz YBPJVNBNBVJTJX-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001280349942 1378342469 /nfs/dbraw/zinc/34/24/69/1378342469.db2.gz BPKBRYNDVUVNBA-VQIMIIECSA-N 1 3 331.504 3.236 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001281939474 1378459951 /nfs/dbraw/zinc/45/99/51/1378459951.db2.gz GUUDRSVVMLRNEI-SFHVURJKSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001281939474 1378459953 /nfs/dbraw/zinc/45/99/53/1378459953.db2.gz GUUDRSVVMLRNEI-SFHVURJKSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001282715105 1378573706 /nfs/dbraw/zinc/57/37/06/1378573706.db2.gz OLMYRCXUPDIHKD-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001283677963 1379105429 /nfs/dbraw/zinc/10/54/29/1379105429.db2.gz KUZYVZGMOCEAPZ-LPHOPBHVSA-N 1 3 333.520 3.087 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001284104904 1379477719 /nfs/dbraw/zinc/47/77/19/1379477719.db2.gz ZVZWUKRLOFPVTD-GBESFXJTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001284295840 1379684450 /nfs/dbraw/zinc/68/44/50/1379684450.db2.gz MFNCPSQRYFOQRH-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)Cc1c(C)cccc1C)C(C)C)N(C)C ZINC001284544554 1379952334 /nfs/dbraw/zinc/95/23/34/1379952334.db2.gz NNIPXDMDZCYREK-FQEVSTJZSA-N 1 3 347.547 3.312 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1c(C)cccc1C)C(C)C)N(C)C ZINC001284544554 1379952336 /nfs/dbraw/zinc/95/23/36/1379952336.db2.gz NNIPXDMDZCYREK-FQEVSTJZSA-N 1 3 347.547 3.312 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCCC3CCCC3)CC2)C1 ZINC001328016885 1388645312 /nfs/dbraw/zinc/64/53/12/1388645312.db2.gz FDRPLPVQADFGBQ-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001328051594 1388655124 /nfs/dbraw/zinc/65/51/24/1388655124.db2.gz WHXNXKCCHWLCOO-GOSISDBHSA-N 1 3 349.494 3.081 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1CC(C)(C)C ZINC001300648168 1383675469 /nfs/dbraw/zinc/67/54/69/1383675469.db2.gz TVKCKUHIIDRJBL-KRWDZBQOSA-N 1 3 347.547 3.277 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1CC(C)(C)C ZINC001300648168 1383675473 /nfs/dbraw/zinc/67/54/73/1383675473.db2.gz TVKCKUHIIDRJBL-KRWDZBQOSA-N 1 3 347.547 3.277 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001316771456 1384570183 /nfs/dbraw/zinc/57/01/83/1384570183.db2.gz GKIUTJDRTZYLHG-GOSISDBHSA-N 1 3 346.519 3.283 10 0 EGAEHO CN(CC(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001317139255 1384905294 /nfs/dbraw/zinc/90/52/94/1384905294.db2.gz IIKBKIPEMWNKPY-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO CN(CC(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001317139255 1384905296 /nfs/dbraw/zinc/90/52/96/1384905296.db2.gz IIKBKIPEMWNKPY-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001317164637 1384927537 /nfs/dbraw/zinc/92/75/37/1384927537.db2.gz ZGVCXRRVYRZHQF-PMACEKPBSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001317169284 1384934200 /nfs/dbraw/zinc/93/42/00/1384934200.db2.gz YJMXAKCCHPISDC-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001317434892 1385138559 /nfs/dbraw/zinc/13/85/59/1385138559.db2.gz NQTPIIQNBFHKIQ-WOJBJXKFSA-N 1 3 349.563 3.412 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001317434892 1385138560 /nfs/dbraw/zinc/13/85/60/1385138560.db2.gz NQTPIIQNBFHKIQ-WOJBJXKFSA-N 1 3 349.563 3.412 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCC2=CCCCC2)CC1 ZINC001317868829 1385550638 /nfs/dbraw/zinc/55/06/38/1385550638.db2.gz MEHXMHHSSBFEFD-FQEVSTJZSA-N 1 3 347.547 3.142 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001317868829 1385550641 /nfs/dbraw/zinc/55/06/41/1385550641.db2.gz MEHXMHHSSBFEFD-FQEVSTJZSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830800 1386323674 /nfs/dbraw/zinc/32/36/74/1386323674.db2.gz GPTBELDTPNCOSX-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001319868572 1386346274 /nfs/dbraw/zinc/34/62/74/1386346274.db2.gz LPHSCHOMBLQPGW-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919109 1386391060 /nfs/dbraw/zinc/39/10/60/1386391060.db2.gz SGNMKBMHQSNKRY-UXHICEINSA-N 1 3 345.531 3.100 10 0 EGAEHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001319966958 1386423957 /nfs/dbraw/zinc/42/39/57/1386423957.db2.gz ASUDZARRKMPZFS-GOSISDBHSA-N 1 3 339.568 3.273 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001320135006 1386531156 /nfs/dbraw/zinc/53/11/56/1386531156.db2.gz SZNBDQQBZOHXPV-QZTJIDSGSA-N 1 3 337.552 3.316 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163874 1386542827 /nfs/dbraw/zinc/54/28/27/1386542827.db2.gz KIIGWLFWVKECDZ-RBUKOAKNSA-N 1 3 349.563 3.339 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001321755861 1386976050 /nfs/dbraw/zinc/97/60/50/1386976050.db2.gz HLGHCOSXBSQZJZ-SJORKVTESA-N 1 3 333.520 3.306 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001329256739 1389038052 /nfs/dbraw/zinc/03/80/52/1389038052.db2.gz MOUUHSDFQLJFKQ-OFLPRAFFSA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001330176516 1389327867 /nfs/dbraw/zinc/32/78/67/1389327867.db2.gz ZDKHATVJNPSMAS-FWZVCBSNSA-N 1 3 327.516 3.112 10 0 EGAEHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001330501595 1389433424 /nfs/dbraw/zinc/43/34/24/1389433424.db2.gz GKGUWJXGBAIJBS-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001330501595 1389433428 /nfs/dbraw/zinc/43/34/28/1389433428.db2.gz GKGUWJXGBAIJBS-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCCC[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001332971415 1390226481 /nfs/dbraw/zinc/22/64/81/1390226481.db2.gz AEWZOWBHWPHHIU-OAHLLOKOSA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479260358 1392200060 /nfs/dbraw/zinc/20/00/60/1392200060.db2.gz VZOSXUZCMXWNCE-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO CC(C)(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001479470159 1392250467 /nfs/dbraw/zinc/25/04/67/1392250467.db2.gz HMJKPYAZCJXNFP-DLBZAZTESA-N 1 3 337.552 3.172 10 0 EGAEHO CCC(CC)C[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479797133 1392395572 /nfs/dbraw/zinc/39/55/72/1392395572.db2.gz TYLJKGPSKRDKMS-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CCC(CC)C[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479797133 1392395575 /nfs/dbraw/zinc/39/55/75/1392395575.db2.gz TYLJKGPSKRDKMS-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860228 1406569979 /nfs/dbraw/zinc/56/99/79/1406569979.db2.gz IEVRFVHFGVFQOH-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001480304651 1392668159 /nfs/dbraw/zinc/66/81/59/1392668159.db2.gz ZQQXSTPXDPKDMM-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN(C)C(C)C)c(C)c1 ZINC001480368473 1392710582 /nfs/dbraw/zinc/71/05/82/1392710582.db2.gz XSVKUOVWPQZZGK-HXUWFJFHSA-N 1 3 345.531 3.114 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001480742958 1392909746 /nfs/dbraw/zinc/90/97/46/1392909746.db2.gz SXXXRYINDMYVJU-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001480742958 1392909748 /nfs/dbraw/zinc/90/97/48/1392909748.db2.gz SXXXRYINDMYVJU-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001480952209 1393043154 /nfs/dbraw/zinc/04/31/54/1393043154.db2.gz ZOUKCJBTHGKFBE-UYAOXDASSA-N 1 3 345.531 3.287 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001480952209 1393043156 /nfs/dbraw/zinc/04/31/56/1393043156.db2.gz ZOUKCJBTHGKFBE-UYAOXDASSA-N 1 3 345.531 3.287 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530408 1394386667 /nfs/dbraw/zinc/38/66/67/1394386667.db2.gz TXUROTJEQRAVKD-BGEOSOQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001481530408 1394386671 /nfs/dbraw/zinc/38/66/71/1394386671.db2.gz TXUROTJEQRAVKD-BGEOSOQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001481530408 1394386676 /nfs/dbraw/zinc/38/66/76/1394386676.db2.gz TXUROTJEQRAVKD-BGEOSOQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001482022761 1394679807 /nfs/dbraw/zinc/67/98/07/1394679807.db2.gz LYASIYCWOMLIAB-GUDVDZBRSA-N 1 3 337.552 3.457 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)CCC1 ZINC001482058581 1394719957 /nfs/dbraw/zinc/71/99/57/1394719957.db2.gz AQPNCKZYLAKDQI-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2)CCCC1 ZINC001482238027 1394833359 /nfs/dbraw/zinc/83/33/59/1394833359.db2.gz DGFMCZVJQFLZOU-MRXNPFEDSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001482368737 1394931106 /nfs/dbraw/zinc/93/11/06/1394931106.db2.gz IWBWANIYWNHTGI-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO CCC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CCCCC1 ZINC001482409833 1394974593 /nfs/dbraw/zinc/97/45/93/1394974593.db2.gz QWOOGNKZFWNRIQ-QGZVFWFLSA-N 1 3 325.541 3.029 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001482432725 1394993047 /nfs/dbraw/zinc/99/30/47/1394993047.db2.gz IDALENXPZUTOLV-SJORKVTESA-N 1 3 339.568 3.227 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CN(C)C(C)C)c1 ZINC001482501205 1395053569 /nfs/dbraw/zinc/05/35/69/1395053569.db2.gz MMJYQKGENCOXEG-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115966 1395260444 /nfs/dbraw/zinc/26/04/44/1395260444.db2.gz YPUKMYBQVURRSH-PZJWPPBQSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C)CC1 ZINC001484132449 1395271487 /nfs/dbraw/zinc/27/14/87/1395271487.db2.gz RVGMWAUKTABJKY-HPFMTEOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1)N(C)C ZINC001484723966 1395487559 /nfs/dbraw/zinc/48/75/59/1395487559.db2.gz LTURTAGWUDIRLA-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1)N(C)C ZINC001484723966 1395487560 /nfs/dbraw/zinc/48/75/60/1395487560.db2.gz LTURTAGWUDIRLA-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1cccc(C)c1C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728557 1395491630 /nfs/dbraw/zinc/49/16/30/1395491630.db2.gz RFDZBKAGNDNPKE-IBGZPJMESA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001484728557 1395491634 /nfs/dbraw/zinc/49/16/34/1395491634.db2.gz RFDZBKAGNDNPKE-IBGZPJMESA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)C)C2)N(C)C ZINC001484875571 1395579055 /nfs/dbraw/zinc/57/90/55/1395579055.db2.gz KARKABYRLJEIDX-IBGZPJMESA-N 1 3 331.504 3.005 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)C)C2)N(C)C ZINC001484875571 1395579058 /nfs/dbraw/zinc/57/90/58/1395579058.db2.gz KARKABYRLJEIDX-IBGZPJMESA-N 1 3 331.504 3.005 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C ZINC001485357695 1395832306 /nfs/dbraw/zinc/83/23/06/1395832306.db2.gz LIKWQANXDWUZJX-IRXDYDNUSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001485357695 1395832314 /nfs/dbraw/zinc/83/23/14/1395832314.db2.gz LIKWQANXDWUZJX-IRXDYDNUSA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CC1CCCCC1 ZINC001485359047 1395834809 /nfs/dbraw/zinc/83/48/09/1395834809.db2.gz SKVKCKZBYJGPGO-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CC1CCCCC1 ZINC001485359047 1395834812 /nfs/dbraw/zinc/83/48/12/1395834812.db2.gz SKVKCKZBYJGPGO-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001501392145 1396193766 /nfs/dbraw/zinc/19/37/66/1396193766.db2.gz WFVSEZVDYNQXGN-QSAAVLFXSA-N 1 3 347.547 3.282 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001501392145 1396193767 /nfs/dbraw/zinc/19/37/67/1396193767.db2.gz WFVSEZVDYNQXGN-QSAAVLFXSA-N 1 3 347.547 3.282 10 0 EGAEHO CCCCC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001502650872 1396213674 /nfs/dbraw/zinc/21/36/74/1396213674.db2.gz QFGHROIHKSMHHX-UHFFFAOYSA-N 1 3 343.515 3.293 10 0 EGAEHO CCCCC[N@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001502650872 1396213675 /nfs/dbraw/zinc/21/36/75/1396213675.db2.gz QFGHROIHKSMHHX-UHFFFAOYSA-N 1 3 343.515 3.293 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1C(C)C ZINC001689149533 1396949314 /nfs/dbraw/zinc/94/93/14/1396949314.db2.gz BUDVSULQZJZMFY-NMLBUPMWSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1C(C)C ZINC001689149533 1396949317 /nfs/dbraw/zinc/94/93/17/1396949317.db2.gz BUDVSULQZJZMFY-NMLBUPMWSA-N 1 3 349.563 3.076 10 0 EGAEHO CC[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001689267073 1396998566 /nfs/dbraw/zinc/99/85/66/1396998566.db2.gz DENPQKFKDDQVGZ-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174500 1424709274 /nfs/dbraw/zinc/70/92/74/1424709274.db2.gz RDVJYBSRIZBTDK-APWZRJJASA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174500 1424709277 /nfs/dbraw/zinc/70/92/77/1424709277.db2.gz RDVJYBSRIZBTDK-APWZRJJASA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001689365695 1403706645 /nfs/dbraw/zinc/70/66/45/1403706645.db2.gz LCAWMBIQBUZNCC-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001689365695 1403706652 /nfs/dbraw/zinc/70/66/52/1403706652.db2.gz LCAWMBIQBUZNCC-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1)N1CCCC1 ZINC001690162438 1404360686 /nfs/dbraw/zinc/36/06/86/1404360686.db2.gz HRQJLZXAZCKTFR-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757186 1404711293 /nfs/dbraw/zinc/71/12/93/1404711293.db2.gz CHQNBZIIRXOVRT-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097225 1405033192 /nfs/dbraw/zinc/03/31/92/1405033192.db2.gz HYCQETWQSROJEZ-VQTJNVASSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001691733396 1405456175 /nfs/dbraw/zinc/45/61/75/1405456175.db2.gz PNRLNUFAVYRXCH-IEBWSBKVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC001692104523 1405773601 /nfs/dbraw/zinc/77/36/01/1405773601.db2.gz SCTVRLFVFNJBPM-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC001692104523 1405773602 /nfs/dbraw/zinc/77/36/02/1405773602.db2.gz SCTVRLFVFNJBPM-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692257571 1405885781 /nfs/dbraw/zinc/88/57/81/1405885781.db2.gz JCCQVSCXXAWWHU-HEVSSNLLSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692257571 1405885783 /nfs/dbraw/zinc/88/57/83/1405885783.db2.gz JCCQVSCXXAWWHU-HEVSSNLLSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568878 1406172490 /nfs/dbraw/zinc/17/24/90/1406172490.db2.gz GWCPVROLXFOMDA-VQTJNVASSA-N 1 3 345.531 3.148 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1 ZINC001732024388 1428242881 /nfs/dbraw/zinc/24/28/81/1428242881.db2.gz KTGDUXAQLAUINY-OALUTQOASA-N 1 3 331.504 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001732082855 1428339105 /nfs/dbraw/zinc/33/91/05/1428339105.db2.gz FTVVBZANGPELOW-SJORKVTESA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001732082855 1428339109 /nfs/dbraw/zinc/33/91/09/1428339109.db2.gz FTVVBZANGPELOW-SJORKVTESA-N 1 3 349.494 3.007 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200308 1428450858 /nfs/dbraw/zinc/45/08/58/1428450858.db2.gz XKGAUAOBFBEMLA-RBUKOAKNSA-N 1 3 349.563 3.314 10 0 EGAEHO Cc1ccc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001732313160 1428525337 /nfs/dbraw/zinc/52/53/37/1428525337.db2.gz PZZPSBWDFSVVEB-MXVIHJGJSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141361 1412532092 /nfs/dbraw/zinc/53/20/92/1412532092.db2.gz UVAADUDZUYPNQI-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443026 1412774479 /nfs/dbraw/zinc/77/44/79/1412774479.db2.gz SQWUCKVVKUBOAS-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1 ZINC001699443026 1412774482 /nfs/dbraw/zinc/77/44/82/1412774482.db2.gz SQWUCKVVKUBOAS-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001699606895 1412970374 /nfs/dbraw/zinc/97/03/74/1412970374.db2.gz OPZXDQUFXHOSOC-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001699767961 1413173124 /nfs/dbraw/zinc/17/31/24/1413173124.db2.gz YTFXTMGHXRUOGZ-XJDXJNMNSA-N 1 3 343.515 3.299 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC001699800103 1413210732 /nfs/dbraw/zinc/21/07/32/1413210732.db2.gz QPZIGLKRIOWMME-FXAWDEMLSA-N 1 3 345.531 3.352 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001699852630 1413281957 /nfs/dbraw/zinc/28/19/57/1413281957.db2.gz DZETXXHLLSMVGS-QUCCMNQESA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001699868511 1413311534 /nfs/dbraw/zinc/31/15/34/1413311534.db2.gz MRTHLNLRMQJQKJ-TZIWHRDSSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001699868511 1413311539 /nfs/dbraw/zinc/31/15/39/1413311539.db2.gz MRTHLNLRMQJQKJ-TZIWHRDSSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700086297 1413497401 /nfs/dbraw/zinc/49/74/01/1413497401.db2.gz CDBMAKMNSJUDGS-IBGZPJMESA-N 1 3 337.552 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[N@H+](C)CC2=CCCCC2)CC1 ZINC001732551488 1428735332 /nfs/dbraw/zinc/73/53/32/1428735332.db2.gz YRNBUCHIQBKYAY-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[N@@H+](C)CC2=CCCCC2)CC1 ZINC001732551488 1428735336 /nfs/dbraw/zinc/73/53/36/1428735336.db2.gz YRNBUCHIQBKYAY-UHFFFAOYSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC1(C)C)C1CCC1 ZINC001700291041 1413742955 /nfs/dbraw/zinc/74/29/55/1413742955.db2.gz FLWNNMJRZKDJHS-LJQANCHMSA-N 1 3 347.547 3.188 10 0 EGAEHO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)CC1(C)C)C1CCC1 ZINC001700291041 1413742957 /nfs/dbraw/zinc/74/29/57/1413742957.db2.gz FLWNNMJRZKDJHS-LJQANCHMSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001700382110 1413908321 /nfs/dbraw/zinc/90/83/21/1413908321.db2.gz IOKWHIIQBFQPAH-UHFFFAOYSA-N 1 3 345.531 3.135 10 0 EGAEHO CC(C)=CC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001700435189 1414001245 /nfs/dbraw/zinc/00/12/45/1414001245.db2.gz DCOHBYQFFVWISF-UHFFFAOYSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2C1 ZINC001700617879 1414285409 /nfs/dbraw/zinc/28/54/09/1414285409.db2.gz UZWVFWSUZZGHGS-XUVXKRRUSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C1 ZINC001700617879 1414285412 /nfs/dbraw/zinc/28/54/12/1414285412.db2.gz UZWVFWSUZZGHGS-XUVXKRRUSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001700624253 1414296317 /nfs/dbraw/zinc/29/63/17/1414296317.db2.gz TUKBJWTVGZOEDX-SMBCEPQPSA-N 1 3 349.563 3.099 10 0 EGAEHO CC/C=C/CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001700624253 1414296320 /nfs/dbraw/zinc/29/63/20/1414296320.db2.gz TUKBJWTVGZOEDX-SMBCEPQPSA-N 1 3 349.563 3.099 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001732585504 1428798765 /nfs/dbraw/zinc/79/87/65/1428798765.db2.gz QARNBCVKPXQZSE-FQEVSTJZSA-N 1 3 345.531 3.014 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001732585504 1428798769 /nfs/dbraw/zinc/79/87/69/1428798769.db2.gz QARNBCVKPXQZSE-FQEVSTJZSA-N 1 3 345.531 3.014 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688332 1414340984 /nfs/dbraw/zinc/34/09/84/1414340984.db2.gz DLACNKSADAVWGD-MJGOQNOKSA-N 1 3 335.536 3.236 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001700923669 1414576176 /nfs/dbraw/zinc/57/61/76/1414576176.db2.gz OXNVFTTWVMMRMD-PWBPZBFBSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001701008561 1414666408 /nfs/dbraw/zinc/66/64/08/1414666408.db2.gz RDBXJGRKXNLESX-QZTJIDSGSA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001732728657 1428931852 /nfs/dbraw/zinc/93/18/52/1428931852.db2.gz KMLAPKVOIVYZFX-QZTJIDSGSA-N 1 3 345.531 3.136 10 0 EGAEHO CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001732799472 1428979467 /nfs/dbraw/zinc/97/94/67/1428979467.db2.gz CQQZGBJQQMUSKJ-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732953313 1429077597 /nfs/dbraw/zinc/07/75/97/1429077597.db2.gz BMNRFVLNTXRLOO-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CCN2CCCC(C)C)C1 ZINC001707051763 1417164770 /nfs/dbraw/zinc/16/47/70/1417164770.db2.gz SSWWKYZEEZPUTA-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CCN2CCCC(C)C)C1 ZINC001707051763 1417164772 /nfs/dbraw/zinc/16/47/72/1417164772.db2.gz SSWWKYZEEZPUTA-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001707122439 1417209925 /nfs/dbraw/zinc/20/99/25/1417209925.db2.gz AILPERRBXQXWLP-FQQSSWHASA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1cc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)cs1 ZINC001707266998 1417273979 /nfs/dbraw/zinc/27/39/79/1417273979.db2.gz DOCUSHIIWOVBKO-AEFFLSMTSA-N 1 3 349.544 3.012 10 0 EGAEHO CN(CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccsc1 ZINC001712952242 1417510355 /nfs/dbraw/zinc/51/03/55/1417510355.db2.gz JNZIIFYOMPRDFH-GOSISDBHSA-N 1 3 349.544 3.093 10 0 EGAEHO CN(CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccsc1 ZINC001712952242 1417510358 /nfs/dbraw/zinc/51/03/58/1417510358.db2.gz JNZIIFYOMPRDFH-GOSISDBHSA-N 1 3 349.544 3.093 10 0 EGAEHO C[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001712972292 1417526286 /nfs/dbraw/zinc/52/62/86/1417526286.db2.gz SJNHWOIEGMTZNP-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO C[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001712972292 1417526288 /nfs/dbraw/zinc/52/62/88/1417526288.db2.gz SJNHWOIEGMTZNP-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC001713532959 1418283174 /nfs/dbraw/zinc/28/31/74/1418283174.db2.gz CUCPYYJHVNUCFQ-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC001713532959 1418283176 /nfs/dbraw/zinc/28/31/76/1418283176.db2.gz CUCPYYJHVNUCFQ-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[NH+]1CCC(C(=O)NCCN(CC2=CCCCC2)C2CC2)CC1 ZINC001713564380 1418371223 /nfs/dbraw/zinc/37/12/23/1418371223.db2.gz VQJGKXOQKOHEBI-UHFFFAOYSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001713674097 1418426750 /nfs/dbraw/zinc/42/67/50/1418426750.db2.gz QJJUKBNMXBEWKW-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713738720 1418537283 /nfs/dbraw/zinc/53/72/83/1418537283.db2.gz KMAQCNRFVSZVGS-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713738720 1418537286 /nfs/dbraw/zinc/53/72/86/1418537286.db2.gz KMAQCNRFVSZVGS-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978115 1418758804 /nfs/dbraw/zinc/75/88/04/1418758804.db2.gz MBYVPZSXYQLXHN-MOPGFXCFSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978115 1418758807 /nfs/dbraw/zinc/75/88/07/1418758807.db2.gz MBYVPZSXYQLXHN-MOPGFXCFSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714003082 1418782570 /nfs/dbraw/zinc/78/25/70/1418782570.db2.gz AGAGZAJXBPOJTH-QZTJIDSGSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714003082 1418782572 /nfs/dbraw/zinc/78/25/72/1418782572.db2.gz AGAGZAJXBPOJTH-QZTJIDSGSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001714275334 1419055607 /nfs/dbraw/zinc/05/56/07/1419055607.db2.gz YQVODHSYNGADBP-QGZVFWFLSA-N 1 3 347.547 3.382 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001714390155 1419139140 /nfs/dbraw/zinc/13/91/40/1419139140.db2.gz BYPOMYSYUWPCKF-HKUYNNGSSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001714408193 1419148861 /nfs/dbraw/zinc/14/88/61/1419148861.db2.gz PLFNWNQITPWHDI-MSOLQXFVSA-N 1 3 337.552 3.458 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001714486169 1419209319 /nfs/dbraw/zinc/20/93/19/1419209319.db2.gz GLFYNSMVNIVRCF-UYAOXDASSA-N 1 3 347.547 3.182 10 0 EGAEHO CC[C@H](F)C[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001714513509 1419240901 /nfs/dbraw/zinc/24/09/01/1419240901.db2.gz HRVUKUBHDSFKII-SFHVURJKSA-N 1 3 349.494 3.129 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001714543288 1419268983 /nfs/dbraw/zinc/26/89/83/1419268983.db2.gz VHPWWAZNVHMSRE-HXUWFJFHSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001714543288 1419268984 /nfs/dbraw/zinc/26/89/84/1419268984.db2.gz VHPWWAZNVHMSRE-HXUWFJFHSA-N 1 3 345.531 3.379 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)[C@H](C)c2ccc(F)cc2)CC[N@@H+]1C ZINC001714582465 1419322618 /nfs/dbraw/zinc/32/26/18/1419322618.db2.gz BKFFLOWRARTLKJ-AYOQOUSVSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)[C@H](C)c2ccc(F)cc2)CC[N@H+]1C ZINC001714582465 1419322620 /nfs/dbraw/zinc/32/26/20/1419322620.db2.gz BKFFLOWRARTLKJ-AYOQOUSVSA-N 1 3 349.494 3.055 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648587 1419424994 /nfs/dbraw/zinc/42/49/94/1419424994.db2.gz TURAHMDZNDMQND-ROUUACIJSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648587 1419424995 /nfs/dbraw/zinc/42/49/95/1419424995.db2.gz TURAHMDZNDMQND-ROUUACIJSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769677 1419500616 /nfs/dbraw/zinc/50/06/16/1419500616.db2.gz FKYJDRPGJVVGCR-WMZOPIPTSA-N 1 3 337.552 3.122 10 0 EGAEHO CCCCCC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001714810782 1419521721 /nfs/dbraw/zinc/52/17/21/1419521721.db2.gz DOLSHJXJPFBHTO-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862430 1419585364 /nfs/dbraw/zinc/58/53/64/1419585364.db2.gz GMMIAXXANPXEOM-ZMBJWTFHSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862430 1419585368 /nfs/dbraw/zinc/58/53/68/1419585368.db2.gz GMMIAXXANPXEOM-ZMBJWTFHSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714921859 1419674253 /nfs/dbraw/zinc/67/42/53/1419674253.db2.gz XZUZHIAMWBLEDD-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001714921859 1419674255 /nfs/dbraw/zinc/67/42/55/1419674255.db2.gz XZUZHIAMWBLEDD-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001715072265 1419807344 /nfs/dbraw/zinc/80/73/44/1419807344.db2.gz UNTMHXRSFBWFIE-QAPCUYQASA-N 1 3 349.494 3.246 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC001715251461 1419976381 /nfs/dbraw/zinc/97/63/81/1419976381.db2.gz BGXSBSDIIDRKTD-GOSISDBHSA-N 1 3 349.494 3.028 10 0 EGAEHO CC/C=C\CC[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001715484056 1420164174 /nfs/dbraw/zinc/16/41/74/1420164174.db2.gz YDYVYDBAVAPXLI-SREVYHEPSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001715484056 1420164176 /nfs/dbraw/zinc/16/41/76/1420164176.db2.gz YDYVYDBAVAPXLI-SREVYHEPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001715540768 1420239088 /nfs/dbraw/zinc/23/90/88/1420239088.db2.gz ZHHLWBMHFFHONY-IBGZPJMESA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001715540768 1420239089 /nfs/dbraw/zinc/23/90/89/1420239089.db2.gz ZHHLWBMHFFHONY-IBGZPJMESA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCC1CCCCC1 ZINC001715592365 1420262751 /nfs/dbraw/zinc/26/27/51/1420262751.db2.gz ZWNVFLNOULCPKW-SFHVURJKSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001715655290 1420280542 /nfs/dbraw/zinc/28/05/42/1420280542.db2.gz MCESPXGHSQJUHU-QGZVFWFLSA-N 1 3 345.531 3.279 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001716075932 1420530587 /nfs/dbraw/zinc/53/05/87/1420530587.db2.gz TUQGTVOJJRAPBH-AZUAARDMSA-N 1 3 345.531 3.018 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001716414886 1420644107 /nfs/dbraw/zinc/64/41/07/1420644107.db2.gz WRSVLBXXDPIKHM-YLJYHZDGSA-N 1 3 345.531 3.106 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC(C)CC1 ZINC001716587035 1420769247 /nfs/dbraw/zinc/76/92/47/1420769247.db2.gz OAODBCXHUSFVRE-ACBHZAAOSA-N 1 3 337.552 3.125 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001716653948 1420807739 /nfs/dbraw/zinc/80/77/39/1420807739.db2.gz SBNUXMUMOWQGMO-RTBURBONSA-N 1 3 335.536 3.022 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCN1CCC1CCCCC1 ZINC001716653948 1420807741 /nfs/dbraw/zinc/80/77/41/1420807741.db2.gz SBNUXMUMOWQGMO-RTBURBONSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001716704650 1420859112 /nfs/dbraw/zinc/85/91/12/1420859112.db2.gz YOBTVHBUFXJFMN-AZUAARDMSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001716704650 1420859113 /nfs/dbraw/zinc/85/91/13/1420859113.db2.gz YOBTVHBUFXJFMN-AZUAARDMSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001717123238 1421126078 /nfs/dbraw/zinc/12/60/78/1421126078.db2.gz QOODXDAXLJNPIP-MISYRCLQSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001717249082 1421220052 /nfs/dbraw/zinc/22/00/52/1421220052.db2.gz NYAHWXRGUBXWAZ-FQEVSTJZSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001717249082 1421220054 /nfs/dbraw/zinc/22/00/54/1421220054.db2.gz NYAHWXRGUBXWAZ-FQEVSTJZSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@H](c1cccc(F)c1)N1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310200 1421253245 /nfs/dbraw/zinc/25/32/45/1421253245.db2.gz CPYDODWVNDNSFN-QAPCUYQASA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717486639 1421423641 /nfs/dbraw/zinc/42/36/41/1421423641.db2.gz BLXQNJFMTPURFE-QFBILLFUSA-N 1 3 343.531 3.216 10 0 EGAEHO CCCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717486639 1421423643 /nfs/dbraw/zinc/42/36/43/1421423643.db2.gz BLXQNJFMTPURFE-QFBILLFUSA-N 1 3 343.531 3.216 10 0 EGAEHO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001717490021 1421427738 /nfs/dbraw/zinc/42/77/38/1421427738.db2.gz DMAQKIOSDKBPNO-AZUAARDMSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001717490021 1421427739 /nfs/dbraw/zinc/42/77/39/1421427739.db2.gz DMAQKIOSDKBPNO-AZUAARDMSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)(C)CCC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001717582650 1421508777 /nfs/dbraw/zinc/50/87/77/1421508777.db2.gz NLSNEFXCIYLEQT-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)(C)CCC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001717582650 1421508778 /nfs/dbraw/zinc/50/87/78/1421508778.db2.gz NLSNEFXCIYLEQT-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)c1ccc(F)cc1 ZINC001717758655 1421621359 /nfs/dbraw/zinc/62/13/59/1421621359.db2.gz ZHDMULWYJLRRHM-CRAIPNDOSA-N 1 3 337.483 3.054 10 0 EGAEHO CCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001717960007 1421731906 /nfs/dbraw/zinc/73/19/06/1421731906.db2.gz UNISSUBSWOCQHU-IAGOWNOFSA-N 1 3 325.541 3.170 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(C)(C)C ZINC001717961414 1421733180 /nfs/dbraw/zinc/73/31/80/1421733180.db2.gz JLLGYHSMXNJIGI-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]1CNCc1ccccc1F)[NH+](CC)CC ZINC001733348245 1429529952 /nfs/dbraw/zinc/52/99/52/1429529952.db2.gz IKJMGXLMXDJNHJ-PKOBYXMFSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001733426512 1429633921 /nfs/dbraw/zinc/63/39/21/1429633921.db2.gz SZLNXULDCSMFQX-YLJYHZDGSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)N1CCCCCC1 ZINC001723570514 1424469489 /nfs/dbraw/zinc/46/94/89/1424469489.db2.gz KFOWPBWYHLRVOC-SFHVURJKSA-N 1 3 347.547 3.380 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001724025798 1424633284 /nfs/dbraw/zinc/63/32/84/1424633284.db2.gz JLDWOZIDDCABOW-CALCHBBNSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537829 1429743977 /nfs/dbraw/zinc/74/39/77/1429743977.db2.gz IHUWUCSPKQIUJF-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173009 1424706750 /nfs/dbraw/zinc/70/67/50/1424706750.db2.gz GVIAJEZUXXSEKU-FPOVZHCZSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001724750170 1425119952 /nfs/dbraw/zinc/11/99/52/1425119952.db2.gz RHPWGIWULSHTGO-VQIMIIECSA-N 1 3 349.494 3.043 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001724750170 1425119954 /nfs/dbraw/zinc/11/99/54/1425119954.db2.gz RHPWGIWULSHTGO-VQIMIIECSA-N 1 3 349.494 3.043 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC1=CCCCC1 ZINC001724862019 1425244818 /nfs/dbraw/zinc/24/48/18/1425244818.db2.gz XWXKUIDIKMRTNB-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC1=CCCCC1 ZINC001724862019 1425244824 /nfs/dbraw/zinc/24/48/24/1425244824.db2.gz XWXKUIDIKMRTNB-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725108534 1425561843 /nfs/dbraw/zinc/56/18/43/1425561843.db2.gz MPDMGDPZDSNNQA-WOKGBUJHSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001725427680 1426091506 /nfs/dbraw/zinc/09/15/06/1426091506.db2.gz MLKHANSIQMMYOH-FQEVSTJZSA-N 1 3 345.531 3.278 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+][C@H](C)c1ccccc1)C(C)C ZINC001725446920 1426110759 /nfs/dbraw/zinc/11/07/59/1426110759.db2.gz KWELTIIBVKIAHD-CRAIPNDOSA-N 1 3 342.487 3.142 10 0 EGAEHO CC1CCC(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001725450151 1426115683 /nfs/dbraw/zinc/11/56/83/1426115683.db2.gz AHKVHNAKPJXMHF-UHYCVJNDSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001725649280 1426332146 /nfs/dbraw/zinc/33/21/46/1426332146.db2.gz GKUPWUGQDCDMRE-OALUTQOASA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730218 1426398471 /nfs/dbraw/zinc/39/84/71/1426398471.db2.gz QKGOCSOBOXFIIS-QZTJIDSGSA-N 1 3 348.535 3.337 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730218 1426398475 /nfs/dbraw/zinc/39/84/75/1426398475.db2.gz QKGOCSOBOXFIIS-QZTJIDSGSA-N 1 3 348.535 3.337 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001725770529 1426454597 /nfs/dbraw/zinc/45/45/97/1426454597.db2.gz DAYXFUCADOGMGT-HNNXBMFYSA-N 1 3 346.519 3.058 10 0 EGAEHO CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001725787098 1426472802 /nfs/dbraw/zinc/47/28/02/1426472802.db2.gz QOYXQCPHXIMPMO-SREVYHEPSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+]2CC=C(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001725827952 1426505175 /nfs/dbraw/zinc/50/51/75/1426505175.db2.gz AYXJKOUUAJZYLE-GOSISDBHSA-N 1 3 343.515 3.145 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+]2CC=C(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001725827952 1426505181 /nfs/dbraw/zinc/50/51/81/1426505181.db2.gz AYXJKOUUAJZYLE-GOSISDBHSA-N 1 3 343.515 3.145 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCC1 ZINC001731543378 1427556570 /nfs/dbraw/zinc/55/65/70/1427556570.db2.gz WYPDWQXFCHIUEQ-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)N1CCCC1 ZINC001731543378 1427556573 /nfs/dbraw/zinc/55/65/73/1427556573.db2.gz WYPDWQXFCHIUEQ-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001731550946 1427570595 /nfs/dbraw/zinc/57/05/95/1427570595.db2.gz YQIWXWDOKXUISP-ZYHOBAKYSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)N2CCCCCC2)c(C)c1 ZINC001731621434 1427672234 /nfs/dbraw/zinc/67/22/34/1427672234.db2.gz DAYJGIFOBJGEDX-RTBURBONSA-N 1 3 345.531 3.162 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001731750627 1427844672 /nfs/dbraw/zinc/84/46/72/1427844672.db2.gz KVVHLCAYXXXDOA-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CCC(C)(C)C)CCC1 ZINC001731750627 1427844674 /nfs/dbraw/zinc/84/46/74/1427844674.db2.gz KVVHLCAYXXXDOA-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@@H]1CCCN1C(C)C)CC1CC(C)(C)C1 ZINC001731864460 1428109705 /nfs/dbraw/zinc/10/97/05/1428109705.db2.gz JRZJWDKWDYUADO-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C(C)C)CC1CC(C)(C)C1 ZINC001731864460 1428109709 /nfs/dbraw/zinc/10/97/09/1428109709.db2.gz JRZJWDKWDYUADO-SFHVURJKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677605 1429876027 /nfs/dbraw/zinc/87/60/27/1429876027.db2.gz RYOBAASKQVKMTE-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]C/C=C/c2ccccc2)CC1 ZINC001733869482 1437696010 /nfs/dbraw/zinc/69/60/10/1437696010.db2.gz JXNRIBSFIHZEOV-DHZHZOJOSA-N 1 3 343.515 3.011 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001733941946 1437758314 /nfs/dbraw/zinc/75/83/14/1437758314.db2.gz RSUKWWDILSQSGZ-HXUWFJFHSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001733941946 1437758315 /nfs/dbraw/zinc/75/83/15/1437758315.db2.gz RSUKWWDILSQSGZ-HXUWFJFHSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001734194657 1437935375 /nfs/dbraw/zinc/93/53/75/1437935375.db2.gz UENFPZDYPYWNER-HSALFYBXSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001734194657 1437935377 /nfs/dbraw/zinc/93/53/77/1437935377.db2.gz UENFPZDYPYWNER-HSALFYBXSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481872 1438127319 /nfs/dbraw/zinc/12/73/19/1438127319.db2.gz MSVDVWMUJAUHLV-MOPGFXCFSA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001734488840 1438129745 /nfs/dbraw/zinc/12/97/45/1438129745.db2.gz SGQKQEZAIYZKOU-YLJYHZDGSA-N 1 3 343.515 3.203 10 0 EGAEHO CCCN(C)CC(=O)N(CC[N@H+](C)[C@H]1CCc2ccccc21)C(C)C ZINC001734554990 1438154030 /nfs/dbraw/zinc/15/40/30/1438154030.db2.gz VWPBVAKSAXPSKE-FQEVSTJZSA-N 1 3 345.531 3.185 10 0 EGAEHO CCCN(C)CC(=O)N(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(C)C ZINC001734554990 1438154032 /nfs/dbraw/zinc/15/40/32/1438154032.db2.gz VWPBVAKSAXPSKE-FQEVSTJZSA-N 1 3 345.531 3.185 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001734571439 1438165345 /nfs/dbraw/zinc/16/53/45/1438165345.db2.gz URAZKXNDNOILEV-QZTJIDSGSA-N 1 3 337.552 3.312 10 0 EGAEHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001750931861 1440113586 /nfs/dbraw/zinc/11/35/86/1440113586.db2.gz ZVTNVXLWBBMVIA-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001750931861 1440113587 /nfs/dbraw/zinc/11/35/87/1440113587.db2.gz ZVTNVXLWBBMVIA-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO C[C@@H](N)c1cc(Br)ccc1OCCC[NH+]1CCCC1 ZINC000052066787 214114493 /nfs/dbraw/zinc/11/44/93/214114493.db2.gz CLANOXCBAXDCRI-GFCCVEGCSA-N 1 3 327.266 3.334 10 0 EGAEHO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3ccc(CN4CCCC4)cn3)c2O1 ZINC000067772481 215209968 /nfs/dbraw/zinc/20/99/68/215209968.db2.gz CALZTZGEOSWGML-INIZCTEOSA-N 1 3 343.858 3.260 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000350178088 284583208 /nfs/dbraw/zinc/58/32/08/284583208.db2.gz WRNZJUZLNMRSOO-UHFFFAOYSA-N 1 3 345.531 3.077 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccccc1F ZINC000268766441 141058977 /nfs/dbraw/zinc/05/89/77/141058977.db2.gz BYQGRXCCDXSSPL-HBGVWJBISA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccccc1F ZINC000268766441 141058978 /nfs/dbraw/zinc/05/89/78/141058978.db2.gz BYQGRXCCDXSSPL-HBGVWJBISA-N 1 3 342.458 3.359 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454383 141299809 /nfs/dbraw/zinc/29/98/09/141299809.db2.gz JNJQVAYHSKLJRT-FCGDIQPGSA-N 1 3 331.504 3.269 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454383 141299812 /nfs/dbraw/zinc/29/98/12/141299812.db2.gz JNJQVAYHSKLJRT-FCGDIQPGSA-N 1 3 331.504 3.269 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353454383 141299815 /nfs/dbraw/zinc/29/98/15/141299815.db2.gz JNJQVAYHSKLJRT-FCGDIQPGSA-N 1 3 331.504 3.269 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000353464396 141302872 /nfs/dbraw/zinc/30/28/72/141302872.db2.gz UNOBVKGHIPPCCX-QYZOEREBSA-N 1 3 329.488 3.365 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000372766582 157378477 /nfs/dbraw/zinc/37/84/77/157378477.db2.gz LJZHKZAEFGCWAX-CEWLAPEOSA-N 1 3 346.515 3.312 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)CC2CCOCC2)CC1 ZINC000093314678 162002080 /nfs/dbraw/zinc/00/20/80/162002080.db2.gz STUCEXFEKDNAEG-UHFFFAOYSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)CC2CCOCC2)CC1 ZINC000093314678 162002085 /nfs/dbraw/zinc/00/20/85/162002085.db2.gz STUCEXFEKDNAEG-UHFFFAOYSA-N 1 3 345.531 3.077 10 0 EGAEHO CCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248880159 163041972 /nfs/dbraw/zinc/04/19/72/163041972.db2.gz KLIJHZMILORTMQ-NCYKPQTJSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248880159 163041975 /nfs/dbraw/zinc/04/19/75/163041975.db2.gz KLIJHZMILORTMQ-NCYKPQTJSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248880159 163041977 /nfs/dbraw/zinc/04/19/77/163041977.db2.gz KLIJHZMILORTMQ-NCYKPQTJSA-N 1 3 327.516 3.256 10 0 EGAEHO CC[NH+]1CCC(CCNCc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000338462052 163232731 /nfs/dbraw/zinc/23/27/31/163232731.db2.gz QMNVMJFFXSGSMG-UHFFFAOYSA-N 1 3 341.503 3.096 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000352049818 165209405 /nfs/dbraw/zinc/20/94/05/165209405.db2.gz TUNSEEARURYKOF-RLLQIKCJSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000352049818 165209406 /nfs/dbraw/zinc/20/94/06/165209406.db2.gz TUNSEEARURYKOF-RLLQIKCJSA-N 1 3 343.515 3.203 10 0 EGAEHO COc1cnccc1N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000360253050 167283530 /nfs/dbraw/zinc/28/35/30/167283530.db2.gz YBZBEJLCETVCLR-UHFFFAOYSA-N 1 3 334.423 3.273 10 0 EGAEHO COc1cccc([C@@H](C)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000175785726 265137332 /nfs/dbraw/zinc/13/73/32/265137332.db2.gz DKYJQSXEFOSAAH-QGZVFWFLSA-N 1 3 332.488 3.333 10 0 EGAEHO C[C@H](Cc1ccccc1F)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000188083433 265649501 /nfs/dbraw/zinc/64/95/01/265649501.db2.gz SUYRMEDFORGMGT-GOSISDBHSA-N 1 3 347.522 3.297 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000193007681 266002749 /nfs/dbraw/zinc/00/27/49/266002749.db2.gz AGSLWHWEOBLBCY-AWEZNQCLSA-N 1 3 329.941 3.468 10 0 EGAEHO c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000358942185 275063117 /nfs/dbraw/zinc/06/31/17/275063117.db2.gz MVIKVIFCAKJCET-UZLBHIALSA-N 1 3 336.483 3.324 10 0 EGAEHO COc1ccc(OCCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971352 275144450 /nfs/dbraw/zinc/14/44/50/275144450.db2.gz RDUPBNQFVXJQGE-UHFFFAOYSA-N 1 3 332.488 3.272 10 0 EGAEHO C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504304 275641429 /nfs/dbraw/zinc/64/14/29/275641429.db2.gz SDXVCEBXAMUBOW-HNAYVOBHSA-N 1 3 342.487 3.089 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000373869056 276288056 /nfs/dbraw/zinc/28/80/56/276288056.db2.gz TYYMNEAUXJCOSG-OGWHTMIXSA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000373869056 276288058 /nfs/dbraw/zinc/28/80/58/276288058.db2.gz TYYMNEAUXJCOSG-OGWHTMIXSA-N 1 3 336.520 3.351 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCSCC1 ZINC000414304970 309071822 /nfs/dbraw/zinc/07/18/22/309071822.db2.gz MUUSUOQBZVLXGQ-KRWDZBQOSA-N 1 3 348.556 3.135 10 0 EGAEHO C[C@H](CCC(F)(F)F)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414311463 309072186 /nfs/dbraw/zinc/07/21/86/309072186.db2.gz VBEFLOXTAKRFSR-OAHLLOKOSA-N 1 3 344.421 3.334 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000414498011 309084571 /nfs/dbraw/zinc/08/45/71/309084571.db2.gz LXJSAZOCVBJOLG-AEFFLSMTSA-N 1 3 333.545 3.202 10 0 EGAEHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000414808893 309102953 /nfs/dbraw/zinc/10/29/53/309102953.db2.gz LHSMIUPPFHYKQZ-CYBMUJFWSA-N 1 3 330.428 3.022 10 0 EGAEHO Cc1cccc2c(N3CCC(OCCC[NH+](C)C)CC3)ccnc12 ZINC000301664357 308709777 /nfs/dbraw/zinc/70/97/77/308709777.db2.gz KXRCHUJUIGUHJL-UHFFFAOYSA-N 1 3 327.472 3.480 10 0 EGAEHO CCc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c2ccccc2n1 ZINC000301798939 308715713 /nfs/dbraw/zinc/71/57/13/308715713.db2.gz RFODXSXIXAWPEH-INIZCTEOSA-N 1 3 341.499 3.326 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@]1(C)CCC[NH2+]C1 ZINC000414918807 309109243 /nfs/dbraw/zinc/10/92/43/309109243.db2.gz VHIANHKGELNMMV-BLLLJJGKSA-N 1 3 343.284 3.499 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414918807 309109244 /nfs/dbraw/zinc/10/92/44/309109244.db2.gz VHIANHKGELNMMV-BLLLJJGKSA-N 1 3 343.284 3.499 10 0 EGAEHO COc1cc(CN[C@H](CCC[NH3+])c2ccccc2)cc2c1OCCO2 ZINC000415049998 309116663 /nfs/dbraw/zinc/11/66/63/309116663.db2.gz IALNHUMDGGLSSO-QGZVFWFLSA-N 1 3 342.439 3.036 10 0 EGAEHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)ccc1F ZINC000415111584 309121052 /nfs/dbraw/zinc/12/10/52/309121052.db2.gz RGHBYRORLXEUFG-CTNGQTDRSA-N 1 3 341.474 3.470 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1F ZINC000415111584 309121053 /nfs/dbraw/zinc/12/10/53/309121053.db2.gz RGHBYRORLXEUFG-CTNGQTDRSA-N 1 3 341.474 3.470 10 0 EGAEHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119525 309121563 /nfs/dbraw/zinc/12/15/63/309121563.db2.gz FPKJAJBNVCECCZ-FPOVZHCZSA-N 1 3 344.499 3.194 10 0 EGAEHO FC(F)CN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377365 309203620 /nfs/dbraw/zinc/20/36/20/309203620.db2.gz CXQNWDPTAJXTBG-MKXGPGLRSA-N 1 3 349.469 3.111 10 0 EGAEHO FC(F)CN1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417377365 309203621 /nfs/dbraw/zinc/20/36/21/309203621.db2.gz CXQNWDPTAJXTBG-MKXGPGLRSA-N 1 3 349.469 3.111 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1F ZINC000422743378 309366323 /nfs/dbraw/zinc/36/63/23/309366323.db2.gz IKKJEUYDWPQCTN-YSIASYRMSA-N 1 3 333.495 3.288 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000422757153 309366867 /nfs/dbraw/zinc/36/68/67/309366867.db2.gz IFFPXAYFENPQFO-HZPDHXFCSA-N 1 3 327.472 3.352 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000422789722 309368506 /nfs/dbraw/zinc/36/85/06/309368506.db2.gz BMPXTOPHSNRVNW-AWEZNQCLSA-N 1 3 340.471 3.294 10 0 EGAEHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(Cl)c1 ZINC000422892391 309374565 /nfs/dbraw/zinc/37/45/65/309374565.db2.gz YGLMHCPOSWAAFO-AUUYWEPGSA-N 1 3 332.875 3.439 10 0 EGAEHO c1ccc(C2(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104606 309386186 /nfs/dbraw/zinc/38/61/86/309386186.db2.gz HMNCWBTWCRKKHS-GCJKJVERSA-N 1 3 349.478 3.349 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOCC1CCCC1 ZINC000423157369 309388670 /nfs/dbraw/zinc/38/86/70/309388670.db2.gz ARHULHGZDDFTQJ-QUCCMNQESA-N 1 3 330.472 3.039 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](N)c2ccccc2)CC1 ZINC000423249571 309392280 /nfs/dbraw/zinc/39/22/80/309392280.db2.gz OVSHGUSQACILGC-PGRDOPGGSA-N 1 3 337.511 3.372 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@H]3CC[C@@H]3SC)CC2)cc1 ZINC000425352249 309475320 /nfs/dbraw/zinc/47/53/20/309475320.db2.gz MQJRPXFWSFBFGJ-OALUTQOASA-N 1 3 334.529 3.391 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2(SC)CC2)CC1 ZINC000433188486 309681234 /nfs/dbraw/zinc/68/12/34/309681234.db2.gz AHYWQZHACAMLLU-UHFFFAOYSA-N 1 3 333.545 3.204 10 0 EGAEHO C[N@H+]1CC=C(CNCc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449246986 310047344 /nfs/dbraw/zinc/04/73/44/310047344.db2.gz FDOYQIBGHSCRPB-UHFFFAOYSA-N 1 3 335.423 3.440 10 0 EGAEHO C[N@@H+]1CC=C(CNCc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449246986 310047345 /nfs/dbraw/zinc/04/73/45/310047345.db2.gz FDOYQIBGHSCRPB-UHFFFAOYSA-N 1 3 335.423 3.440 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](CC/C=C\c3ccccc3)CC2)CC1 ZINC000450744007 310140577 /nfs/dbraw/zinc/14/05/77/310140577.db2.gz KHPXYNQMWRLOOO-POHAHGRESA-N 1 3 341.543 3.439 10 0 EGAEHO CC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027444 310253461 /nfs/dbraw/zinc/25/34/61/310253461.db2.gz VJADXVOARBQZPS-VQTJNVASSA-N 1 3 330.516 3.380 10 0 EGAEHO CC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027444 310253462 /nfs/dbraw/zinc/25/34/62/310253462.db2.gz VJADXVOARBQZPS-VQTJNVASSA-N 1 3 330.516 3.380 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453059151 310255125 /nfs/dbraw/zinc/25/51/25/310255125.db2.gz IJYFXGJEYICHJJ-MBDNFAEBSA-N 1 3 341.543 3.361 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453063470 310255332 /nfs/dbraw/zinc/25/53/32/310255332.db2.gz NRPFJFAVRQEKQG-ATZDWAIDSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453063470 310255333 /nfs/dbraw/zinc/25/53/33/310255333.db2.gz NRPFJFAVRQEKQG-ATZDWAIDSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453063470 310255334 /nfs/dbraw/zinc/25/53/34/310255334.db2.gz NRPFJFAVRQEKQG-ATZDWAIDSA-N 1 3 336.907 3.362 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000453232113 310265664 /nfs/dbraw/zinc/26/56/64/310265664.db2.gz JCGAFKIIEJYLAT-JLSDUUJJSA-N 1 3 344.890 3.488 10 0 EGAEHO CC(C)N1CCN(CCC[NH+]2CCC(F)(c3ccccc3)CC2)CC1 ZINC000501869956 311955729 /nfs/dbraw/zinc/95/57/29/311955729.db2.gz JUVXVKHDTYVBQV-UHFFFAOYSA-N 1 3 347.522 3.363 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000514100015 312225221 /nfs/dbraw/zinc/22/52/21/312225221.db2.gz SLYZNDFORUJPJP-UFYCRDLUSA-N 1 3 342.531 3.424 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000514100015 312225224 /nfs/dbraw/zinc/22/52/24/312225224.db2.gz SLYZNDFORUJPJP-UFYCRDLUSA-N 1 3 342.531 3.424 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000514100015 312225226 /nfs/dbraw/zinc/22/52/26/312225226.db2.gz SLYZNDFORUJPJP-UFYCRDLUSA-N 1 3 342.531 3.424 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)CC(C)(C)OC)CC1 ZINC000537724715 314205194 /nfs/dbraw/zinc/20/51/94/314205194.db2.gz HOPJFGUHCHSFIH-UHFFFAOYSA-N 1 3 333.520 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)CC(C)(C)OC)CC1 ZINC000537724715 314205198 /nfs/dbraw/zinc/20/51/98/314205198.db2.gz HOPJFGUHCHSFIH-UHFFFAOYSA-N 1 3 333.520 3.075 10 0 EGAEHO CN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000548392269 315003507 /nfs/dbraw/zinc/00/35/07/315003507.db2.gz OMEBRZBZCUOSHG-FPOVZHCZSA-N 1 3 343.515 3.203 10 0 EGAEHO CN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1c1ccccc1 ZINC000548392269 315003510 /nfs/dbraw/zinc/00/35/10/315003510.db2.gz OMEBRZBZCUOSHG-FPOVZHCZSA-N 1 3 343.515 3.203 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000384069183 324258340 /nfs/dbraw/zinc/25/83/40/324258340.db2.gz UYQGEHADFWPESU-ACRUOGEOSA-N 1 3 328.500 3.303 10 0 EGAEHO c1nc(CC[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383378 455267709 /nfs/dbraw/zinc/26/77/09/455267709.db2.gz MUYFVQRVMNTVMC-WDSOQIARSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383378 455267714 /nfs/dbraw/zinc/26/77/14/455267714.db2.gz MUYFVQRVMNTVMC-WDSOQIARSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383378 455267718 /nfs/dbraw/zinc/26/77/18/455267718.db2.gz MUYFVQRVMNTVMC-WDSOQIARSA-N 1 3 327.497 3.186 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000013113458 453444907 /nfs/dbraw/zinc/44/49/07/453444907.db2.gz GCLRZSOLNBUYPJ-SJORKVTESA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000013113458 453444916 /nfs/dbraw/zinc/44/49/16/453444916.db2.gz GCLRZSOLNBUYPJ-SJORKVTESA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1 ZINC000013113458 453444924 /nfs/dbraw/zinc/44/49/24/453444924.db2.gz GCLRZSOLNBUYPJ-SJORKVTESA-N 1 3 347.503 3.266 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969735 460599586 /nfs/dbraw/zinc/59/95/86/460599586.db2.gz XQIAYHLBANUFJO-GJZGRUSLSA-N 1 3 346.302 3.053 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000076380926 453994834 /nfs/dbraw/zinc/99/48/34/453994834.db2.gz RREXGAJYPUAUNQ-KRWDZBQOSA-N 1 3 331.504 3.133 10 0 EGAEHO CC(C)[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)c(F)c1 ZINC000182065280 455427733 /nfs/dbraw/zinc/42/77/33/455427733.db2.gz FIPBLSUJMJDJOI-IBGZPJMESA-N 1 3 339.474 3.279 10 0 EGAEHO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000097057084 454398101 /nfs/dbraw/zinc/39/81/01/454398101.db2.gz BYGIPVHXBIQZRN-SESVDKBCSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000097057084 454398104 /nfs/dbraw/zinc/39/81/04/454398104.db2.gz BYGIPVHXBIQZRN-SESVDKBCSA-N 1 3 339.483 3.334 10 0 EGAEHO Cc1noc(C)c1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000097057084 454398105 /nfs/dbraw/zinc/39/81/05/454398105.db2.gz BYGIPVHXBIQZRN-SESVDKBCSA-N 1 3 339.483 3.334 10 0 EGAEHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)Nc1cccc(Cl)c1 ZINC000047972965 454426154 /nfs/dbraw/zinc/42/61/54/454426154.db2.gz QCAGQOFWOXQUCH-UHFFFAOYSA-N 1 3 349.906 3.476 10 0 EGAEHO COCCCOc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152694289 454714339 /nfs/dbraw/zinc/71/43/39/454714339.db2.gz WPFYQSMSSQQJSH-UHFFFAOYSA-N 1 3 346.515 3.410 10 0 EGAEHO CCN1CCN(CCCC[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000138071809 454788674 /nfs/dbraw/zinc/78/86/74/454788674.db2.gz DOOOVZGVXUURJJ-UHFFFAOYSA-N 1 3 331.548 3.360 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177238580 454841633 /nfs/dbraw/zinc/84/16/33/454841633.db2.gz LOVZQCMPKQNJDJ-IBGZPJMESA-N 1 3 335.536 3.163 10 0 EGAEHO CCc1ccc(CNCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000177771589 454902219 /nfs/dbraw/zinc/90/22/19/454902219.db2.gz YVVCHQGDNLTXCL-NRFANRHFSA-N 1 3 342.483 3.377 10 0 EGAEHO C[C@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(C)(C)C1 ZINC000183530915 455303759 /nfs/dbraw/zinc/30/37/59/455303759.db2.gz RLJIPYGNQJBSJW-DLBZAZTESA-N 1 3 349.563 3.124 10 0 EGAEHO CCC[N@H+](C)CC(C)(C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000620624251 460710201 /nfs/dbraw/zinc/71/02/01/460710201.db2.gz SFCVMIJWHSAYJO-UHFFFAOYSA-N 1 3 345.531 3.135 10 0 EGAEHO CCC[N@@H+](C)CC(C)(C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000620624251 460710205 /nfs/dbraw/zinc/71/02/05/460710205.db2.gz SFCVMIJWHSAYJO-UHFFFAOYSA-N 1 3 345.531 3.135 10 0 EGAEHO CCN(CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236939281 456206122 /nfs/dbraw/zinc/20/61/22/456206122.db2.gz SMDVVDSGAQIGPF-NEWSRXKRSA-N 1 3 329.488 3.388 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H]1CCc2cccc(Br)c2C1 ZINC000665282005 462383398 /nfs/dbraw/zinc/38/33/98/462383398.db2.gz OLJKPLDBXFIQFG-XJKSGUPXSA-N 1 3 325.294 3.269 10 0 EGAEHO CC(C)[C@H](N)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000665282005 462383402 /nfs/dbraw/zinc/38/34/02/462383402.db2.gz OLJKPLDBXFIQFG-XJKSGUPXSA-N 1 3 325.294 3.269 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000343449295 456628375 /nfs/dbraw/zinc/62/83/75/456628375.db2.gz WARBPICCHZBRAC-NQIIRXRSSA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000343449295 456628380 /nfs/dbraw/zinc/62/83/80/456628380.db2.gz WARBPICCHZBRAC-NQIIRXRSSA-N 1 3 345.531 3.075 10 0 EGAEHO CCN(CC)Cc1cccc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000324946682 456676375 /nfs/dbraw/zinc/67/63/75/456676375.db2.gz SJLGBXZEZGEVPJ-UHFFFAOYSA-N 1 3 325.456 3.282 10 0 EGAEHO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c(OC)c1 ZINC000326673014 456697952 /nfs/dbraw/zinc/69/79/52/456697952.db2.gz KBERJRZTLXJSDX-HNNXBMFYSA-N 1 3 341.455 3.418 10 0 EGAEHO COC1(C[C@@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000277174905 456709182 /nfs/dbraw/zinc/70/91/82/456709182.db2.gz SJEVJJUIVDGWJN-QGZVFWFLSA-N 1 3 346.515 3.081 10 0 EGAEHO CCC[NH+]1CCC(CNCc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000338435219 456817620 /nfs/dbraw/zinc/81/76/20/456817620.db2.gz KFVHXAIJKQPONW-UHFFFAOYSA-N 1 3 341.503 3.096 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000354095690 457059407 /nfs/dbraw/zinc/05/94/07/457059407.db2.gz DDCQDLDUQASPHC-IBGZPJMESA-N 1 3 342.487 3.009 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000386208578 457429066 /nfs/dbraw/zinc/42/90/66/457429066.db2.gz MKXPCXVCBPBKPZ-FDFHNCONSA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000386208578 457429072 /nfs/dbraw/zinc/42/90/72/457429072.db2.gz MKXPCXVCBPBKPZ-FDFHNCONSA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC000386208578 457429083 /nfs/dbraw/zinc/42/90/83/457429083.db2.gz MKXPCXVCBPBKPZ-FDFHNCONSA-N 1 3 336.479 3.179 10 0 EGAEHO NC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390867974 457447769 /nfs/dbraw/zinc/44/77/69/457447769.db2.gz NPQDGOPZYPZXQW-WNTWWTRPSA-N 1 3 327.516 3.289 10 0 EGAEHO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000342704374 457467675 /nfs/dbraw/zinc/46/76/75/457467675.db2.gz YABCUXKADMWNQV-INIZCTEOSA-N 1 3 333.520 3.282 10 0 EGAEHO c1cc(CNC2CC[NH+](C3CC3)CC2)cc(COC2CCOCC2)c1 ZINC000459401916 458359286 /nfs/dbraw/zinc/35/92/86/458359286.db2.gz JFZDOXKFMFOOOY-UHFFFAOYSA-N 1 3 344.499 3.099 10 0 EGAEHO c1ccc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]2CCOC2)cc1 ZINC000459460113 458378539 /nfs/dbraw/zinc/37/85/39/458378539.db2.gz IQQNOHNDTLKLEU-NQIIRXRSSA-N 1 3 337.467 3.418 10 0 EGAEHO Cc1nc2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2s1 ZINC000494017810 458616620 /nfs/dbraw/zinc/61/66/20/458616620.db2.gz NVMFRLMLUVQHNS-MRXNPFEDSA-N 1 3 345.512 3.195 10 0 EGAEHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)[C@@H](C)C1 ZINC000470254911 458626145 /nfs/dbraw/zinc/62/61/45/458626145.db2.gz MZZLHVQOARGUJH-BJLQDIEVSA-N 1 3 346.515 3.230 10 0 EGAEHO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876333 458663119 /nfs/dbraw/zinc/66/31/19/458663119.db2.gz DMTRSZPIHFZAHP-STQMWFEESA-N 1 3 335.398 3.461 10 0 EGAEHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876333 458663126 /nfs/dbraw/zinc/66/31/26/458663126.db2.gz DMTRSZPIHFZAHP-STQMWFEESA-N 1 3 335.398 3.461 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)ccn1 ZINC000474040183 458857395 /nfs/dbraw/zinc/85/73/95/458857395.db2.gz ZLZRWVRQXQGQMG-SESVDKBCSA-N 1 3 343.515 3.483 10 0 EGAEHO OCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582002411 459290711 /nfs/dbraw/zinc/29/07/11/459290711.db2.gz JDPFAFBOHKSJAI-OAQYLSRUSA-N 1 3 336.479 3.466 10 0 EGAEHO OCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000582002411 459290718 /nfs/dbraw/zinc/29/07/18/459290718.db2.gz JDPFAFBOHKSJAI-OAQYLSRUSA-N 1 3 336.479 3.466 10 0 EGAEHO CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC12CCCCC2 ZINC000568528361 459303822 /nfs/dbraw/zinc/30/38/22/459303822.db2.gz PPQMKXSWZYOMJM-FQEVSTJZSA-N 1 3 327.516 3.211 10 0 EGAEHO CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC12CCCCC2 ZINC000568528361 459303826 /nfs/dbraw/zinc/30/38/26/459303826.db2.gz PPQMKXSWZYOMJM-FQEVSTJZSA-N 1 3 327.516 3.211 10 0 EGAEHO CN1CCC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409297 459730019 /nfs/dbraw/zinc/73/00/19/459730019.db2.gz BRSHGXKKXBRVBF-PMACEKPBSA-N 1 3 327.516 3.115 10 0 EGAEHO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629519259 460792095 /nfs/dbraw/zinc/79/20/95/460792095.db2.gz FINYBSKORQGCMY-HXUWFJFHSA-N 1 3 340.467 3.077 10 0 EGAEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000629521684 460794277 /nfs/dbraw/zinc/79/42/77/460794277.db2.gz REPOBCKTTDYKOR-KRWDZBQOSA-N 1 3 340.467 3.424 10 0 EGAEHO NC1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629521319 460794835 /nfs/dbraw/zinc/79/48/35/460794835.db2.gz PUKDPBRPZDVJGH-HNNXBMFYSA-N 1 3 344.377 3.134 10 0 EGAEHO Cc1ccc(-c2nc3c(s2)[C@@H](NCCOCCC[NH3+])CCC3)cc1 ZINC000629538088 460800851 /nfs/dbraw/zinc/80/08/51/460800851.db2.gz MIAKZJDLCMWBFB-INIZCTEOSA-N 1 3 345.512 3.451 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2COc3cccc(C)c3C2)[C@H](C)C1 ZINC000624072088 460846087 /nfs/dbraw/zinc/84/60/87/460846087.db2.gz UANMWUKOUCBBOR-GGPKGHCWSA-N 1 3 346.515 3.025 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](N[C@H]2COc3cccc(C)c3C2)[C@H](C)C1 ZINC000624072088 460846094 /nfs/dbraw/zinc/84/60/94/460846094.db2.gz UANMWUKOUCBBOR-GGPKGHCWSA-N 1 3 346.515 3.025 10 0 EGAEHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC1CC1 ZINC000628279953 461070381 /nfs/dbraw/zinc/07/03/81/461070381.db2.gz IZJHRHSPJZULST-GOSISDBHSA-N 1 3 344.499 3.400 10 0 EGAEHO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC000628337744 461093377 /nfs/dbraw/zinc/09/33/77/461093377.db2.gz POFOVVNVYIQPNQ-XMSQKQJNSA-N 1 3 338.495 3.455 10 0 EGAEHO Fc1cccc(Cl)c1C[C@@H]1CCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252370 461144037 /nfs/dbraw/zinc/14/40/37/461144037.db2.gz NHLQGNULCXHGJO-KBPBESRZSA-N 1 3 338.854 3.007 10 0 EGAEHO CC[N@H+](CCC1CCN(Cc2cnn3c2CCC3)CC1)CC(C)C ZINC000668167980 461151486 /nfs/dbraw/zinc/15/14/86/461151486.db2.gz JLQOKENHVVXYPK-UHFFFAOYSA-N 1 3 332.536 3.409 10 0 EGAEHO CC[N@@H+](CCC1CCN(Cc2cnn3c2CCC3)CC1)CC(C)C ZINC000668167980 461151492 /nfs/dbraw/zinc/15/14/92/461151492.db2.gz JLQOKENHVVXYPK-UHFFFAOYSA-N 1 3 332.536 3.409 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2cccc(Cl)c2)C1 ZINC000652360326 461155232 /nfs/dbraw/zinc/15/52/32/461155232.db2.gz FLYMBDHZPWSDBY-BPQIPLTHSA-N 1 3 338.879 3.080 10 0 EGAEHO CC(C)[C@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280057 461162329 /nfs/dbraw/zinc/16/23/29/461162329.db2.gz BXDSYFNLKRIEJM-CJNGLKHVSA-N 1 3 326.843 3.287 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662402029 461232654 /nfs/dbraw/zinc/23/26/54/461232654.db2.gz FGNUIARWZXWRNA-JTDSTZFVSA-N 1 3 343.515 3.094 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662402029 461232663 /nfs/dbraw/zinc/23/26/63/461232663.db2.gz FGNUIARWZXWRNA-JTDSTZFVSA-N 1 3 343.515 3.094 10 0 EGAEHO CC[N@H+](CCCNC(=O)[C@@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000653201014 461557023 /nfs/dbraw/zinc/55/70/23/461557023.db2.gz WYXKGKJBVGMHOW-IBGZPJMESA-N 1 3 349.494 3.029 10 0 EGAEHO CC[N@@H+](CCCNC(=O)[C@@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000653201014 461557033 /nfs/dbraw/zinc/55/70/33/461557033.db2.gz WYXKGKJBVGMHOW-IBGZPJMESA-N 1 3 349.494 3.029 10 0 EGAEHO C[N@@H+]1C[C@@H](CN[C@@H]2CCN(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000647248918 461589580 /nfs/dbraw/zinc/58/95/80/461589580.db2.gz OYNKBKQGSNSYQR-SJBKTWHCSA-N 1 3 335.495 3.200 10 0 EGAEHO C[N@H+]1C[C@@H](CN[C@@H]2CCN(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000647248918 461589584 /nfs/dbraw/zinc/58/95/84/461589584.db2.gz OYNKBKQGSNSYQR-SJBKTWHCSA-N 1 3 335.495 3.200 10 0 EGAEHO c1ccc2c(c1)O[C@@H](CCNC1CC[NH+](CC3CC3)CC1)CS2 ZINC000647320931 461632425 /nfs/dbraw/zinc/63/24/25/461632425.db2.gz MVIIEFBHBDBDEZ-KRWDZBQOSA-N 1 3 332.513 3.394 10 0 EGAEHO C[C@H](NCC1(c2cccc(OC(F)(F)F)c2)CCC1)C1C[NH2+]C1 ZINC000656199894 461644145 /nfs/dbraw/zinc/64/41/45/461644145.db2.gz GEBRVHLPBBOYQO-LBPRGKRZSA-N 1 3 328.378 3.204 10 0 EGAEHO C[C@H]([NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1)C1CNC1 ZINC000656199894 461644153 /nfs/dbraw/zinc/64/41/53/461644153.db2.gz GEBRVHLPBBOYQO-LBPRGKRZSA-N 1 3 328.378 3.204 10 0 EGAEHO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cc(OC(F)F)ccc2n1 ZINC000656211738 461651345 /nfs/dbraw/zinc/65/13/45/461651345.db2.gz JYGHFSHFELROAV-BETUJISGSA-N 1 3 335.398 3.319 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC000669686259 461767437 /nfs/dbraw/zinc/76/74/37/461767437.db2.gz DMEJAWFKTGPFFB-UHFFFAOYSA-N 1 3 337.467 3.441 10 0 EGAEHO CC[C@@H](NCCC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653875740 461912393 /nfs/dbraw/zinc/91/23/93/461912393.db2.gz ZBRZHGSZLHXOGE-QGFMHUBQSA-N 1 3 326.525 3.251 10 0 EGAEHO CC[C@@H]([NH2+]CCCN[C@@H](CC)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653875740 461912400 /nfs/dbraw/zinc/91/24/00/461912400.db2.gz ZBRZHGSZLHXOGE-QGFMHUBQSA-N 1 3 326.525 3.251 10 0 EGAEHO C[NH+]1CCC2(CC1)CN(CCCCCOc1ccccc1)CCO2 ZINC000648072002 461968288 /nfs/dbraw/zinc/96/82/88/461968288.db2.gz GKIRLIPBKYXAHL-UHFFFAOYSA-N 1 3 332.488 3.032 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432628 462119402 /nfs/dbraw/zinc/11/94/02/462119402.db2.gz ULYALDYMJDUPKS-JRSUCEMESA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432628 462119407 /nfs/dbraw/zinc/11/94/07/462119407.db2.gz ULYALDYMJDUPKS-JRSUCEMESA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432628 462119413 /nfs/dbraw/zinc/11/94/13/462119413.db2.gz ULYALDYMJDUPKS-JRSUCEMESA-N 1 3 328.500 3.444 10 0 EGAEHO c1c2ccccc2oc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536446 462170618 /nfs/dbraw/zinc/17/06/18/462170618.db2.gz JCMAKDOICOQXLD-UHFFFAOYSA-N 1 3 328.456 3.413 10 0 EGAEHO Cc1cccc2[nH]c(CNCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cc21 ZINC000657598064 462199570 /nfs/dbraw/zinc/19/95/70/462199570.db2.gz XQIHHILLUNWTOS-FQEVSTJZSA-N 1 3 349.478 3.333 10 0 EGAEHO Cc1cccc2[nH]c(CNCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cc21 ZINC000657598064 462199580 /nfs/dbraw/zinc/19/95/80/462199580.db2.gz XQIHHILLUNWTOS-FQEVSTJZSA-N 1 3 349.478 3.333 10 0 EGAEHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)(C)C(F)F ZINC000657874726 462304685 /nfs/dbraw/zinc/30/46/85/462304685.db2.gz YPYKCKOHRITTNH-AWEZNQCLSA-N 1 3 328.447 3.439 10 0 EGAEHO CN1CCC(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)(N2CCCCC2)CC1 ZINC000657892807 462310263 /nfs/dbraw/zinc/31/02/63/462310263.db2.gz MWEVWBMAZMVSNB-CEXWTWQISA-N 1 3 333.564 3.351 10 0 EGAEHO OC[C@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713788 462312470 /nfs/dbraw/zinc/31/24/70/462312470.db2.gz DOTGESZRRRAQPY-GDBMZVCRSA-N 1 3 340.870 3.293 10 0 EGAEHO OC[C@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713788 462312475 /nfs/dbraw/zinc/31/24/75/462312475.db2.gz DOTGESZRRRAQPY-GDBMZVCRSA-N 1 3 340.870 3.293 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657919964 462318370 /nfs/dbraw/zinc/31/83/70/462318370.db2.gz SKGDMMGWDBQBLY-OWCLPIDISA-N 1 3 331.460 3.368 10 0 EGAEHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)c1ccccn1 ZINC000658063632 462363371 /nfs/dbraw/zinc/36/33/71/462363371.db2.gz KQVSPFQOJMXREC-SJORKVTESA-N 1 3 327.472 3.476 10 0 EGAEHO COC[C@@H](CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000658081115 462374845 /nfs/dbraw/zinc/37/48/45/462374845.db2.gz FXGXFFLSJAVAPE-QGZVFWFLSA-N 1 3 328.541 3.307 10 0 EGAEHO Cc1cc(Br)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000665267271 462377194 /nfs/dbraw/zinc/37/71/94/462377194.db2.gz TUTDDFCQXHEXGX-IJLUTSLNSA-N 1 3 329.307 3.297 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000665281264 462383280 /nfs/dbraw/zinc/38/32/80/462383280.db2.gz YRZIUYGJZOZFTL-CRAIPNDOSA-N 1 3 330.476 3.023 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137324 462400254 /nfs/dbraw/zinc/40/02/54/462400254.db2.gz KJGJYFINLOMJSF-RTWAWAEBSA-N 1 3 328.500 3.312 10 0 EGAEHO Cc1ccsc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138322 462403073 /nfs/dbraw/zinc/40/30/73/462403073.db2.gz JDYSZDZSVZPDTA-MAUKXSAKSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccsc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138322 462403078 /nfs/dbraw/zinc/40/30/78/462403078.db2.gz JDYSZDZSVZPDTA-MAUKXSAKSA-N 1 3 330.497 3.474 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@]3(CCN(CCC[C@@H]4CCOC4)C3)C2)cc1 ZINC000645910629 462465377 /nfs/dbraw/zinc/46/53/77/462465377.db2.gz SNEDZFWTYPPQMQ-RTWAWAEBSA-N 1 3 328.500 3.401 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@]3(CCN(CCC[C@@H]4CCOC4)C3)C2)cc1 ZINC000645910629 462465383 /nfs/dbraw/zinc/46/53/83/462465383.db2.gz SNEDZFWTYPPQMQ-RTWAWAEBSA-N 1 3 328.500 3.401 10 0 EGAEHO Cc1ccccc1[C@H](C)NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000182012914 547075306 /nfs/dbraw/zinc/07/53/06/547075306.db2.gz YYBYQIMJBYSEKQ-FXAWDEMLSA-N 1 3 339.483 3.065 10 0 EGAEHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000383697005 547821531 /nfs/dbraw/zinc/82/15/31/547821531.db2.gz ROXMITOBUIGQHZ-JRSUCEMESA-N 1 3 328.500 3.444 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000678994666 549612726 /nfs/dbraw/zinc/61/27/26/549612726.db2.gz RNRPXWWNSWPWPH-KRWDZBQOSA-N 1 3 337.458 3.496 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3cnccc3c2)C1 ZINC000683833262 550267096 /nfs/dbraw/zinc/26/70/96/550267096.db2.gz VKNOLCVDWAKDSA-HXUWFJFHSA-N 1 3 327.472 3.168 10 0 EGAEHO COc1cccc(-c2n[nH]cc2C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000684425284 550328768 /nfs/dbraw/zinc/32/87/68/550328768.db2.gz KDSAHDJVHCZQOD-UHFFFAOYSA-N 1 3 340.471 3.192 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000871152693 1296240507 /nfs/dbraw/zinc/24/05/07/1296240507.db2.gz OIFDFMGWWUSWIJ-UHFFFAOYSA-N 1 3 331.504 3.085 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)CCCCCC[NH3+] ZINC000872155229 1296772674 /nfs/dbraw/zinc/77/26/74/1296772674.db2.gz OPTRSPPUOIZFGU-LSDHHAIUSA-N 1 3 339.911 3.357 10 0 EGAEHO C[C@@H](NCCN1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000925808212 1325309838 /nfs/dbraw/zinc/30/98/38/1325309838.db2.gz BABCODHQZFKLPZ-SNVBAGLBSA-N 1 3 334.266 3.206 10 0 EGAEHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886609557 1303522107 /nfs/dbraw/zinc/52/21/07/1303522107.db2.gz WKIKRHUXDIWEEZ-PPQDBTBKSA-N 1 3 328.500 3.302 10 0 EGAEHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)c1OC ZINC000894780079 1309067469 /nfs/dbraw/zinc/06/74/69/1309067469.db2.gz WLQANZCOLQUBAT-HNNXBMFYSA-N 1 3 336.451 3.007 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CC[C@@H](CO)C1)c1ccccc1 ZINC000929697102 1328670704 /nfs/dbraw/zinc/67/07/04/1328670704.db2.gz QNTNVTSCOHNWJS-IRLDBZIGSA-N 1 3 338.495 3.216 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@@H](CO)C1)c1ccccc1 ZINC000929697102 1328670710 /nfs/dbraw/zinc/67/07/10/1328670710.db2.gz QNTNVTSCOHNWJS-IRLDBZIGSA-N 1 3 338.495 3.216 10 0 EGAEHO O=c1[nH]c2cccc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)c2o1 ZINC000922075543 1322449246 /nfs/dbraw/zinc/44/92/46/1322449246.db2.gz BXGPPILBKJMGTM-MRXNPFEDSA-N 1 3 337.423 3.145 10 0 EGAEHO CCSc1ccccc1C[C@@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000924657549 1323097786 /nfs/dbraw/zinc/09/77/86/1323097786.db2.gz HIEZNPOFFURBAK-GOSISDBHSA-N 1 3 349.588 3.347 10 0 EGAEHO CN1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000924746820 1323143672 /nfs/dbraw/zinc/14/36/72/1323143672.db2.gz HQBBWLOAWFJWQN-WVVQBRDUSA-N 1 3 327.516 3.256 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)nc2c1 ZINC000925480402 1325168599 /nfs/dbraw/zinc/16/85/99/1325168599.db2.gz KAQNKKBJYVKCOX-DLBZAZTESA-N 1 3 326.488 3.253 10 0 EGAEHO C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515992 1325186098 /nfs/dbraw/zinc/18/60/98/1325186098.db2.gz QWSDUFOPWYIHCA-BYCMXARLSA-N 1 3 339.277 3.076 10 0 EGAEHO COc1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OC(F)F ZINC000925510895 1325184554 /nfs/dbraw/zinc/18/45/54/1325184554.db2.gz BHOGMOXXLLWUFQ-CHWSQXEVSA-N 1 3 328.403 3.292 10 0 EGAEHO COc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536321 1325196369 /nfs/dbraw/zinc/19/63/69/1325196369.db2.gz CZLGGIGIKACACM-CHWSQXEVSA-N 1 3 328.403 3.292 10 0 EGAEHO CC1(C)[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925648098 1325246741 /nfs/dbraw/zinc/24/67/41/1325246741.db2.gz OJYRCMFPDQTGHP-ZSXDVEMLSA-N 1 3 332.463 3.412 10 0 EGAEHO CC1(C)[C@H](N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648098 1325246755 /nfs/dbraw/zinc/24/67/55/1325246755.db2.gz OJYRCMFPDQTGHP-ZSXDVEMLSA-N 1 3 332.463 3.412 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925653556 1325248295 /nfs/dbraw/zinc/24/82/95/1325248295.db2.gz NCHRJBKPGKRVRY-RSPOEFSDSA-N 1 3 327.516 3.269 10 0 EGAEHO [NH3+]CCC[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccccc1 ZINC000925723319 1325270172 /nfs/dbraw/zinc/27/01/72/1325270172.db2.gz PJIBMDXNGNYBLQ-HUUCEWRRSA-N 1 3 326.366 3.056 10 0 EGAEHO CCC[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cccnc1 ZINC000925817867 1325314454 /nfs/dbraw/zinc/31/44/54/1325314454.db2.gz SFKIEKUOTJSKTF-NRFANRHFSA-N 1 3 338.499 3.118 10 0 EGAEHO C[C@@H](C[NH2+][C@@H]1CCCc2ncc(Br)cc21)CN(C)C ZINC000926473612 1325566851 /nfs/dbraw/zinc/56/68/51/1325566851.db2.gz MFIKWROSEWJWIF-SMDDNHRTSA-N 1 3 326.282 3.009 10 0 EGAEHO c1cc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)ccn1 ZINC000926691925 1327668250 /nfs/dbraw/zinc/66/82/50/1327668250.db2.gz FHOQVUHGIZAKSE-YQQQUEKLSA-N 1 3 331.529 3.310 10 0 EGAEHO CC(C)C[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)NC(=O)OC(C)(C)C ZINC000862482204 1329489569 /nfs/dbraw/zinc/48/95/69/1329489569.db2.gz FURPEANQCBQRGF-DLBZAZTESA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@H](CNC[C@@H]1CCCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482204 1329489571 /nfs/dbraw/zinc/48/95/71/1329489571.db2.gz FURPEANQCBQRGF-DLBZAZTESA-N 1 3 341.540 3.247 10 0 EGAEHO CC(C)C[C@H](CNC[C@@H]1CCCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482204 1329489572 /nfs/dbraw/zinc/48/95/72/1329489572.db2.gz FURPEANQCBQRGF-DLBZAZTESA-N 1 3 341.540 3.247 10 0 EGAEHO CCOc1cccc(CNCC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC000865773467 1329737013 /nfs/dbraw/zinc/73/70/13/1329737013.db2.gz AJBXHPFAVKLHSL-UHFFFAOYSA-N 1 3 339.483 3.234 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001323509068 1387379111 /nfs/dbraw/zinc/37/91/11/1387379111.db2.gz RAIPIBVMFPOLEW-ROUUACIJSA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645089 1387416447 /nfs/dbraw/zinc/41/64/47/1387416447.db2.gz XLNGBKOEGRAIAJ-YAUKXXINSA-N 1 3 344.503 3.012 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001323645089 1387416449 /nfs/dbraw/zinc/41/64/49/1387416449.db2.gz XLNGBKOEGRAIAJ-YAUKXXINSA-N 1 3 344.503 3.012 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C)N(CC)CC ZINC001324538303 1387663851 /nfs/dbraw/zinc/66/38/51/1387663851.db2.gz ZGXHAXISNUMLFN-CEXWTWQISA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C)N(CC)CC ZINC001324538303 1387663854 /nfs/dbraw/zinc/66/38/54/1387663854.db2.gz ZGXHAXISNUMLFN-CEXWTWQISA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001325465650 1387982318 /nfs/dbraw/zinc/98/23/18/1387982318.db2.gz HYKYGNXCGNZVKL-YLJYHZDGSA-N 1 3 343.515 3.155 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC001326470232 1388205782 /nfs/dbraw/zinc/20/57/82/1388205782.db2.gz ZGHSJOACRFDFKX-PXNSSMCTSA-N 1 3 345.531 3.484 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001327173189 1388421461 /nfs/dbraw/zinc/42/14/61/1388421461.db2.gz OAEFGLGLZPBZIR-VQIMIIECSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)CC1 ZINC001327173189 1388421463 /nfs/dbraw/zinc/42/14/63/1388421463.db2.gz OAEFGLGLZPBZIR-VQIMIIECSA-N 1 3 349.494 3.198 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001265978421 1377174543 /nfs/dbraw/zinc/17/45/43/1377174543.db2.gz MLNGDZOMZKWEOL-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001265978421 1377174546 /nfs/dbraw/zinc/17/45/46/1377174546.db2.gz MLNGDZOMZKWEOL-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001266234682 1377240971 /nfs/dbraw/zinc/24/09/71/1377240971.db2.gz IZDPSULEPNMSGW-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001266234682 1377240975 /nfs/dbraw/zinc/24/09/75/1377240975.db2.gz IZDPSULEPNMSGW-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC001135926519 1377265442 /nfs/dbraw/zinc/26/54/42/1377265442.db2.gz LCRPBJKRQNFVQD-AABGKKOBSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001266501709 1377323487 /nfs/dbraw/zinc/32/34/87/1377323487.db2.gz HTIVDQVPMBAXGJ-BGYRXZFFSA-N 1 3 343.515 3.227 10 0 EGAEHO CN(CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1)C1CCC1 ZINC001267521226 1377451068 /nfs/dbraw/zinc/45/10/68/1377451068.db2.gz RKWUCTOQBZEAPN-IBGZPJMESA-N 1 3 345.531 3.354 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CCC(C)(C)C)C2)CCC1 ZINC001270966207 1377619638 /nfs/dbraw/zinc/61/96/38/1377619638.db2.gz VQHGFALYGVEKHO-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](CCC(C)(C)C)C2)CCC1 ZINC001270966207 1377619640 /nfs/dbraw/zinc/61/96/40/1377619640.db2.gz VQHGFALYGVEKHO-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1cccc(CN(C)CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001272152603 1377658826 /nfs/dbraw/zinc/65/88/26/1377658826.db2.gz YVOBOABMXUQNON-UXHICEINSA-N 1 3 345.531 3.006 10 0 EGAEHO CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327489314 1388533835 /nfs/dbraw/zinc/53/38/35/1388533835.db2.gz XPZJDTKWWKCQMY-GOSISDBHSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001280264737 1378338591 /nfs/dbraw/zinc/33/85/91/1378338591.db2.gz ZNONRQYWXCPTQU-MOPGFXCFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC(C)CC1 ZINC001281968817 1378465675 /nfs/dbraw/zinc/46/56/75/1378465675.db2.gz PFEXEIQGZDHUEW-CTWPCTMYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC(C)CC1 ZINC001281968817 1378465677 /nfs/dbraw/zinc/46/56/77/1378465677.db2.gz PFEXEIQGZDHUEW-CTWPCTMYSA-N 1 3 337.552 3.076 10 0 EGAEHO CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001282312621 1378496098 /nfs/dbraw/zinc/49/60/98/1378496098.db2.gz FIUBPWCORYZEGO-UHFFFAOYSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069431 1379430104 /nfs/dbraw/zinc/43/01/04/1379430104.db2.gz QHSOBLJGHMJUAW-WSTZPKSXSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC1CCC1)CC2)N(CC)CC ZINC001284069431 1379430110 /nfs/dbraw/zinc/43/01/10/1379430110.db2.gz QHSOBLJGHMJUAW-WSTZPKSXSA-N 1 3 335.536 3.020 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284193952 1379587292 /nfs/dbraw/zinc/58/72/92/1379587292.db2.gz HSYIHHUZDFSREO-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001327995134 1388640982 /nfs/dbraw/zinc/64/09/82/1388640982.db2.gz HKKMCLAXEHVEBK-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001284695525 1380109061 /nfs/dbraw/zinc/10/90/61/1380109061.db2.gz SPQUAPJQINDTHM-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CCCC3CCCC3)CC2)C1 ZINC001328016887 1388645673 /nfs/dbraw/zinc/64/56/73/1388645673.db2.gz FDRPLPVQADFGBQ-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CCCC(C)(C)C)C1 ZINC001328763403 1388847225 /nfs/dbraw/zinc/84/72/25/1388847225.db2.gz CQSNTPMQFHTCGU-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001328763403 1388847229 /nfs/dbraw/zinc/84/72/29/1388847229.db2.gz CQSNTPMQFHTCGU-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H](CC[NH+](C)C)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001302852463 1383770856 /nfs/dbraw/zinc/77/08/56/1383770856.db2.gz NIWRKOCMTDKWIQ-AZUAARDMSA-N 1 3 345.531 3.087 10 0 EGAEHO CC[C@H](C(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001328877388 1388893405 /nfs/dbraw/zinc/89/34/05/1388893405.db2.gz ZMKORCIVZASCCP-DAWZGUTISA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)[C@H](O)CCN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308008766 1384074252 /nfs/dbraw/zinc/07/42/52/1384074252.db2.gz NMVUCHLTGITKDM-HKBOAZHASA-N 1 3 330.516 3.237 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001316811266 1384608060 /nfs/dbraw/zinc/60/80/60/1384608060.db2.gz KSCLYZZXJRZQAR-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001316811266 1384608061 /nfs/dbraw/zinc/60/80/61/1384608061.db2.gz KSCLYZZXJRZQAR-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CN(CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1)C1CCC1 ZINC001316934826 1384706397 /nfs/dbraw/zinc/70/63/97/1384706397.db2.gz XFEWUISINGDVEN-UHFFFAOYSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001317150652 1384917104 /nfs/dbraw/zinc/91/71/04/1384917104.db2.gz PKRVKUJOTDDQEZ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001317165651 1384929475 /nfs/dbraw/zinc/92/94/75/1384929475.db2.gz IXDMVOHOKDKAPC-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001317513245 1385225988 /nfs/dbraw/zinc/22/59/88/1385225988.db2.gz IZETXKSOJPKAPQ-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001317513245 1385225990 /nfs/dbraw/zinc/22/59/90/1385225990.db2.gz IZETXKSOJPKAPQ-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812281 1385511517 /nfs/dbraw/zinc/51/15/17/1385511517.db2.gz XDKUWPSMLSKUPQ-ROUUACIJSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812281 1385511518 /nfs/dbraw/zinc/51/15/18/1385511518.db2.gz XDKUWPSMLSKUPQ-ROUUACIJSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001318553995 1385752474 /nfs/dbraw/zinc/75/24/74/1385752474.db2.gz DRRRIWCCENJRAV-QAPCUYQASA-N 1 3 349.494 3.246 10 0 EGAEHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)C ZINC001318568621 1385761623 /nfs/dbraw/zinc/76/16/23/1385761623.db2.gz BEFQNIXBLUOQEM-LPHOPBHVSA-N 1 3 343.531 3.120 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc2ccccc2s1 ZINC001698615969 1406249034 /nfs/dbraw/zinc/24/90/34/1406249034.db2.gz AUXLPGSFVCREGQ-MRXNPFEDSA-N 1 3 347.528 3.226 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C\c1ccccc1)N(C)C ZINC001319085850 1385956692 /nfs/dbraw/zinc/95/66/92/1385956692.db2.gz WAZPHCZENHQFFC-YFLQNJEDSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cc1 ZINC001319472818 1386136787 /nfs/dbraw/zinc/13/67/87/1386136787.db2.gz LHRVEWZPVAELSX-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001319778986 1386293115 /nfs/dbraw/zinc/29/31/15/1386293115.db2.gz BIIZFLXLTJVLGQ-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1cc2ccccc2s1 ZINC001320067709 1386486982 /nfs/dbraw/zinc/48/69/82/1386486982.db2.gz CDMGYSOQASJBMG-UHFFFAOYSA-N 1 3 347.528 3.133 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1cc2ccccc2s1 ZINC001320067709 1386486987 /nfs/dbraw/zinc/48/69/87/1386486987.db2.gz CDMGYSOQASJBMG-UHFFFAOYSA-N 1 3 347.528 3.133 10 0 EGAEHO CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCCCN1CC ZINC001320928102 1386760925 /nfs/dbraw/zinc/76/09/25/1386760925.db2.gz GDGVCVZMXBPORL-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCc1ccccc1CN(C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322178734 1387089824 /nfs/dbraw/zinc/08/98/24/1387089824.db2.gz ZJPFXTBONWBDNY-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1CN(C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001322178734 1387089829 /nfs/dbraw/zinc/08/98/29/1387089829.db2.gz ZJPFXTBONWBDNY-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)c1ccc(CN(C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001322229840 1387111388 /nfs/dbraw/zinc/11/13/88/1387111388.db2.gz FUEPXGPLERCZEA-KRWDZBQOSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]Cc2ccccc2C)CC1 ZINC001698701246 1406343859 /nfs/dbraw/zinc/34/38/59/1406343859.db2.gz LXBLCLYMYUSFPX-UHFFFAOYSA-N 1 3 345.531 3.055 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CCC2CCCCC2)CC1)N(C)C ZINC001333433322 1390303534 /nfs/dbraw/zinc/30/35/34/1390303534.db2.gz MODNQEMDJZOYEZ-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CCC2CCCCC2)CC1)N(C)C ZINC001333433322 1390303538 /nfs/dbraw/zinc/30/35/38/1390303538.db2.gz MODNQEMDJZOYEZ-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001488871771 1391736927 /nfs/dbraw/zinc/73/69/27/1391736927.db2.gz FJLPQWXRLJEKRC-GUDVDZBRSA-N 1 3 337.552 3.027 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001479672734 1392312370 /nfs/dbraw/zinc/31/23/70/1392312370.db2.gz NKKRFQZNJBKLRB-CNUAAPAUSA-N 1 3 349.563 3.099 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001479672734 1392312374 /nfs/dbraw/zinc/31/23/74/1392312374.db2.gz NKKRFQZNJBKLRB-CNUAAPAUSA-N 1 3 349.563 3.099 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001479694744 1392325269 /nfs/dbraw/zinc/32/52/69/1392325269.db2.gz RZCZRNGZAPFXCF-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1ccccc1F ZINC001479845331 1392427624 /nfs/dbraw/zinc/42/76/24/1392427624.db2.gz RESUKWOLASBKBN-INIZCTEOSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1ccccc1F ZINC001479845331 1392427625 /nfs/dbraw/zinc/42/76/25/1392427625.db2.gz RESUKWOLASBKBN-INIZCTEOSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001479910071 1392477894 /nfs/dbraw/zinc/47/78/94/1392477894.db2.gz FCUVDYBQHRVYQM-UXHICEINSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCC[NH+]1CCC(N(CCC)C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001479996607 1392528849 /nfs/dbraw/zinc/52/88/49/1392528849.db2.gz OJBXEKMAOUWYQK-ROUUACIJSA-N 1 3 337.552 3.362 10 0 EGAEHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001480099732 1392584725 /nfs/dbraw/zinc/58/47/25/1392584725.db2.gz IZDYCXXNFSFFKW-CEXWTWQISA-N 1 3 337.552 3.218 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001480266461 1392651376 /nfs/dbraw/zinc/65/13/76/1392651376.db2.gz STYRCSPWLYFXIX-WEPWYQGCSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001480266461 1392651377 /nfs/dbraw/zinc/65/13/77/1392651377.db2.gz STYRCSPWLYFXIX-WEPWYQGCSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001480332982 1392691721 /nfs/dbraw/zinc/69/17/21/1392691721.db2.gz VRPCKLNKGXZKRM-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001480332982 1392691722 /nfs/dbraw/zinc/69/17/22/1392691722.db2.gz VRPCKLNKGXZKRM-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](F)C[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001480411204 1392746972 /nfs/dbraw/zinc/74/69/72/1392746972.db2.gz IESBTWJZCOZRDJ-VIQWUECVSA-N 1 3 349.494 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595516 1392810762 /nfs/dbraw/zinc/81/07/62/1392810762.db2.gz BTXAPQKCLDIBQE-IAGOWNOFSA-N 1 3 347.547 3.480 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001481147260 1393133429 /nfs/dbraw/zinc/13/34/29/1393133429.db2.gz AYPXOCOCMIJFCE-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001481147260 1393133430 /nfs/dbraw/zinc/13/34/30/1393133430.db2.gz AYPXOCOCMIJFCE-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939211 1406678877 /nfs/dbraw/zinc/67/88/77/1406678877.db2.gz OWKPYUXQAZFNRJ-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001491079804 1394421178 /nfs/dbraw/zinc/42/11/78/1394421178.db2.gz GNXLOFUYFQLUGT-KDURUIRLSA-N 1 3 345.531 3.061 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481743283 1394489273 /nfs/dbraw/zinc/48/92/73/1394489273.db2.gz CQKGZBXNDHKBRP-OXUXSNCKSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481743283 1394489276 /nfs/dbraw/zinc/48/92/76/1394489276.db2.gz CQKGZBXNDHKBRP-OXUXSNCKSA-N 1 3 335.536 3.138 10 0 EGAEHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccsc1 ZINC001481880197 1394574844 /nfs/dbraw/zinc/57/48/44/1394574844.db2.gz CLUIUGAHACLAIZ-SFHVURJKSA-N 1 3 345.512 3.108 10 0 EGAEHO CN(C)C1(C(=O)N2CCC(CC[NH2+]CC3CC(C)(C)C3)CC2)CCC1 ZINC001481999825 1394659236 /nfs/dbraw/zinc/65/92/36/1394659236.db2.gz WTLHBFSNVXHAOG-UHFFFAOYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001482021093 1394677837 /nfs/dbraw/zinc/67/78/37/1394677837.db2.gz OOJXIWQTISGPRL-IYARVYRRSA-N 1 3 339.568 3.418 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960350 1406713427 /nfs/dbraw/zinc/71/34/27/1406713427.db2.gz HGQIKLAPRBQHBD-MOPGFXCFSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962372 1406716798 /nfs/dbraw/zinc/71/67/98/1406716798.db2.gz PRUYPBQNAHFLHH-MSOLQXFVSA-N 1 3 337.552 3.026 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001482174278 1394787528 /nfs/dbraw/zinc/78/75/28/1394787528.db2.gz XPHSWNDQGNSLCB-GJZGRUSLSA-N 1 3 339.911 3.083 10 0 EGAEHO CC[C@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CCCC1)N(C)C ZINC001482222415 1394816392 /nfs/dbraw/zinc/81/63/92/1394816392.db2.gz KWBKQHWWVVJKMZ-GOSISDBHSA-N 1 3 335.536 3.236 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001482452341 1395010937 /nfs/dbraw/zinc/01/09/37/1395010937.db2.gz ILOZRJRBAPSKJL-VQTJNVASSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1c(C)cc(C)cc1C)C(C)C)N(C)C ZINC001482538706 1395078112 /nfs/dbraw/zinc/07/81/12/1395078112.db2.gz VFBCMXKOKDWNBT-WOJBJXKFSA-N 1 3 347.547 3.182 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)N(C)C ZINC001484011859 1395185463 /nfs/dbraw/zinc/18/54/63/1395185463.db2.gz DNXBWOBMFJZQSC-RBUKOAKNSA-N 1 3 335.536 3.092 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057939 1395220575 /nfs/dbraw/zinc/22/05/75/1395220575.db2.gz MWURTMWGMTUIGB-PZJWPPBQSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057939 1395220580 /nfs/dbraw/zinc/22/05/80/1395220580.db2.gz MWURTMWGMTUIGB-PZJWPPBQSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057939 1395220582 /nfs/dbraw/zinc/22/05/82/1395220582.db2.gz MWURTMWGMTUIGB-PZJWPPBQSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001484768839 1395525440 /nfs/dbraw/zinc/52/54/40/1395525440.db2.gz IDIWZMVWEMKXQS-MRXNPFEDSA-N 1 3 337.483 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001484768839 1395525442 /nfs/dbraw/zinc/52/54/42/1395525442.db2.gz IDIWZMVWEMKXQS-MRXNPFEDSA-N 1 3 337.483 3.007 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C)N(CC)CC ZINC001485482106 1395965574 /nfs/dbraw/zinc/96/55/74/1395965574.db2.gz IQSJZWXDGKUCPA-RTBURBONSA-N 1 3 337.552 3.434 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC=C(C)C)N(CC)CC ZINC001485482106 1395965579 /nfs/dbraw/zinc/96/55/79/1395965579.db2.gz IQSJZWXDGKUCPA-RTBURBONSA-N 1 3 337.552 3.434 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001485703211 1396109581 /nfs/dbraw/zinc/10/95/81/1396109581.db2.gz SULYSCGHGFBFLA-CGBFIWBNSA-N 1 3 345.531 3.127 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486238208 1396186734 /nfs/dbraw/zinc/18/67/34/1396186734.db2.gz NGSPQTHSVRWSBB-OZSKJFCKSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001505394516 1396282505 /nfs/dbraw/zinc/28/25/05/1396282505.db2.gz GGVWOOIMLUZBHL-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001505394516 1396282509 /nfs/dbraw/zinc/28/25/09/1396282509.db2.gz GGVWOOIMLUZBHL-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001495963718 1396579341 /nfs/dbraw/zinc/57/93/41/1396579341.db2.gz PECWEIJUNIZSDA-GOSISDBHSA-N 1 3 345.531 3.415 10 0 EGAEHO CN(C)C1(C(=O)N(C)C2CC[NH+](CCC3=CCCCC3)CC2)CCC1 ZINC001690023483 1404262579 /nfs/dbraw/zinc/26/25/79/1404262579.db2.gz UTFLBNKIXKFFQL-UHFFFAOYSA-N 1 3 347.547 3.284 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690778326 1404727510 /nfs/dbraw/zinc/72/75/10/1404727510.db2.gz XYYCORHULHDURZ-MSOLQXFVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001690826385 1404764332 /nfs/dbraw/zinc/76/43/32/1404764332.db2.gz FPHYGGJJHDBDAQ-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001690826385 1404764335 /nfs/dbraw/zinc/76/43/35/1404764335.db2.gz FPHYGGJJHDBDAQ-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001690982375 1404895343 /nfs/dbraw/zinc/89/53/43/1404895343.db2.gz ZFLUTYVJDCNNCJ-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CCCCC1 ZINC001690982375 1404895349 /nfs/dbraw/zinc/89/53/49/1404895349.db2.gz ZFLUTYVJDCNNCJ-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097446 1405034639 /nfs/dbraw/zinc/03/46/39/1405034639.db2.gz LUJRSJBNKUJAJK-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1)N(CC)CC ZINC001691097446 1405034641 /nfs/dbraw/zinc/03/46/41/1405034641.db2.gz LUJRSJBNKUJAJK-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CN(C[C@H]1CCN1CCC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691391652 1405228581 /nfs/dbraw/zinc/22/85/81/1405228581.db2.gz ARLBIJIUKHLUDF-LJQANCHMSA-N 1 3 347.547 3.284 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001691623381 1405362537 /nfs/dbraw/zinc/36/25/37/1405362537.db2.gz UYMVJBSSDSWGEP-QGZVFWFLSA-N 1 3 333.520 3.259 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001691636629 1405372419 /nfs/dbraw/zinc/37/24/19/1405372419.db2.gz JTCOEJYLQYPQFU-LJQANCHMSA-N 1 3 349.494 3.027 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001692394368 1405995893 /nfs/dbraw/zinc/99/58/93/1405995893.db2.gz BLJIJRXIHNXDBN-QYZOEREBSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)[C@H]1C ZINC001692394368 1405995896 /nfs/dbraw/zinc/99/58/96/1405995896.db2.gz BLJIJRXIHNXDBN-QYZOEREBSA-N 1 3 337.552 3.410 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1 ZINC001732024393 1428242603 /nfs/dbraw/zinc/24/26/03/1428242603.db2.gz KTGDUXAQLAUINY-RTBURBONSA-N 1 3 331.504 3.106 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001732084771 1428343664 /nfs/dbraw/zinc/34/36/64/1428343664.db2.gz UWJPLQFEIOFIMF-SJORKVTESA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001732084771 1428343665 /nfs/dbraw/zinc/34/36/65/1428343665.db2.gz UWJPLQFEIOFIMF-SJORKVTESA-N 1 3 349.494 3.007 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201901 1428452569 /nfs/dbraw/zinc/45/25/69/1428452569.db2.gz SCUJFXPVBICKMW-RTBURBONSA-N 1 3 337.552 3.316 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](CC[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001732272103 1428508390 /nfs/dbraw/zinc/50/83/90/1428508390.db2.gz NJJXJVXYEYJFCK-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001732367588 1428550981 /nfs/dbraw/zinc/55/09/81/1428550981.db2.gz WNXUGVHNRQOVLL-MJGOQNOKSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001732497623 1428618899 /nfs/dbraw/zinc/61/88/99/1428618899.db2.gz CGQWTEBNZLAJBP-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001732517735 1428636342 /nfs/dbraw/zinc/63/63/42/1428636342.db2.gz MTFGMKBPOZPUSD-LJQANCHMSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1ccccc1Cl ZINC001699160523 1412544442 /nfs/dbraw/zinc/54/44/42/1412544442.db2.gz RJZBVDLTLSWLFI-HUUCEWRRSA-N 1 3 339.911 3.226 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001699345923 1412654482 /nfs/dbraw/zinc/65/44/82/1412654482.db2.gz RKMHTIJEWUUTFE-QULHZPMSSA-N 1 3 333.520 3.013 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001699531011 1412908600 /nfs/dbraw/zinc/90/86/00/1412908600.db2.gz SQBTTZSWTJKAMM-PKOBYXMFSA-N 1 3 333.520 3.080 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)c1 ZINC001699676860 1413071004 /nfs/dbraw/zinc/07/10/04/1413071004.db2.gz WZIQZNVETVAXTL-UHFFFAOYSA-N 1 3 343.515 3.036 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699874772 1413329282 /nfs/dbraw/zinc/32/92/82/1413329282.db2.gz QTIPNTDIFNTCQY-GHOSXJJBSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699874772 1413329287 /nfs/dbraw/zinc/32/92/87/1413329287.db2.gz QTIPNTDIFNTCQY-GHOSXJJBSA-N 1 3 335.536 3.045 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001699937834 1413381233 /nfs/dbraw/zinc/38/12/33/1413381233.db2.gz VDEFNFKOIWRJNG-YQJUVHNHSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001700398043 1413930704 /nfs/dbraw/zinc/93/07/04/1413930704.db2.gz SQFWAXWULDWSKR-ROUUACIJSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001700461653 1414061117 /nfs/dbraw/zinc/06/11/17/1414061117.db2.gz AJABRHZILJSWKV-MRDYICJFSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001700461653 1414061124 /nfs/dbraw/zinc/06/11/24/1414061124.db2.gz AJABRHZILJSWKV-MRDYICJFSA-N 1 3 343.515 3.009 10 0 EGAEHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)CC=C(C)C)C(C)C)C1 ZINC001700972866 1414599813 /nfs/dbraw/zinc/59/98/13/1414599813.db2.gz XDSSDJBEVIDSCI-IBGZPJMESA-N 1 3 337.552 3.243 10 0 EGAEHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)CC=C(C)C)C(C)C)C1 ZINC001700972866 1414599815 /nfs/dbraw/zinc/59/98/15/1414599815.db2.gz XDSSDJBEVIDSCI-IBGZPJMESA-N 1 3 337.552 3.243 10 0 EGAEHO CC[C@H](C(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1)N(C)C ZINC001701032283 1414695711 /nfs/dbraw/zinc/69/57/11/1414695711.db2.gz SNTODDPJZLWRIK-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN(CC[NH2+]CC1CCCCC1)C(=O)c1cccc(CN(C)C)c1 ZINC001732812595 1428990761 /nfs/dbraw/zinc/99/07/61/1428990761.db2.gz QOAQSRUWHFTPPY-UHFFFAOYSA-N 1 3 345.531 3.380 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039070 1429166445 /nfs/dbraw/zinc/16/64/45/1429166445.db2.gz RQAFRVGTOLVKDF-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001733039070 1429166446 /nfs/dbraw/zinc/16/64/46/1429166446.db2.gz RQAFRVGTOLVKDF-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001707424895 1417331407 /nfs/dbraw/zinc/33/14/07/1417331407.db2.gz ZGASKGNINMZDGM-UYAOXDASSA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001707424895 1417331409 /nfs/dbraw/zinc/33/14/09/1417331409.db2.gz ZGASKGNINMZDGM-UYAOXDASSA-N 1 3 345.531 3.369 10 0 EGAEHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001713201285 1417772126 /nfs/dbraw/zinc/77/21/26/1417772126.db2.gz OCRYYBJFUPJPBH-CEXWTWQISA-N 1 3 345.531 3.352 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713224623 1417812872 /nfs/dbraw/zinc/81/28/72/1417812872.db2.gz YUVVECXWCTYVBR-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713224623 1417812876 /nfs/dbraw/zinc/81/28/76/1417812876.db2.gz YUVVECXWCTYVBR-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CCC(CC)C[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001713289665 1417917357 /nfs/dbraw/zinc/91/73/57/1417917357.db2.gz PHZAFWJEHJRDDF-UHFFFAOYSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001713666752 1418422490 /nfs/dbraw/zinc/42/24/90/1418422490.db2.gz BFOOTNCPTVBPPI-UHFFFAOYSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713683993 1418437077 /nfs/dbraw/zinc/43/70/77/1418437077.db2.gz GNYUAGXMNSHGBP-MSOLQXFVSA-N 1 3 345.531 3.305 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)c1ccccc1)N(C)C ZINC001713700092 1418456916 /nfs/dbraw/zinc/45/69/16/1418456916.db2.gz AYCKCGFPXCDMOO-PMACEKPBSA-N 1 3 343.515 3.274 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)N1CCCCCC1 ZINC001713705047 1418464824 /nfs/dbraw/zinc/46/48/24/1418464824.db2.gz QJSPMXYHIYEOAO-FXAWDEMLSA-N 1 3 343.515 3.108 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001714043780 1418835320 /nfs/dbraw/zinc/83/53/20/1418835320.db2.gz ZAZZVAPWKJHATP-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001714043780 1418835323 /nfs/dbraw/zinc/83/53/23/1418835323.db2.gz ZAZZVAPWKJHATP-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1c(C)cccc1C ZINC001714095646 1418889415 /nfs/dbraw/zinc/88/94/15/1418889415.db2.gz KZTMKXCVSZEEEJ-SFHVURJKSA-N 1 3 345.531 3.162 10 0 EGAEHO CCC(CC)C[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001714152729 1418959570 /nfs/dbraw/zinc/95/95/70/1418959570.db2.gz ZNFUQKPLRXCOLL-IAGOWNOFSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714754007 1419495197 /nfs/dbraw/zinc/49/51/97/1419495197.db2.gz WWTKCZIECNUSBY-LPHOPBHVSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001714880352 1419616390 /nfs/dbraw/zinc/61/63/90/1419616390.db2.gz CKSDYLKNGNLOFB-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001714880352 1419616393 /nfs/dbraw/zinc/61/63/93/1419616393.db2.gz CKSDYLKNGNLOFB-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714884485 1419623790 /nfs/dbraw/zinc/62/37/90/1419623790.db2.gz NDHLPCXVPDSBQC-WOJBJXKFSA-N 1 3 347.547 3.189 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001714884485 1419623791 /nfs/dbraw/zinc/62/37/91/1419623791.db2.gz NDHLPCXVPDSBQC-WOJBJXKFSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001715143296 1419889994 /nfs/dbraw/zinc/88/99/94/1419889994.db2.gz UVXSOZZZTTYXGK-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CC3CCCC3)CC2)C1 ZINC001715498699 1420180602 /nfs/dbraw/zinc/18/06/02/1420180602.db2.gz OUIVMLRLLQESHB-GOSISDBHSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CC3CCCC3)CC2)C1 ZINC001715498699 1420180603 /nfs/dbraw/zinc/18/06/03/1420180603.db2.gz OUIVMLRLLQESHB-GOSISDBHSA-N 1 3 349.563 3.079 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001716145017 1420541074 /nfs/dbraw/zinc/54/10/74/1420541074.db2.gz CAMNEOMEUUOIBN-QZTJIDSGSA-N 1 3 345.531 3.333 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001716728005 1420886545 /nfs/dbraw/zinc/88/65/45/1420886545.db2.gz MHLLEMZKFZIDSA-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001716952607 1421048496 /nfs/dbraw/zinc/04/84/96/1421048496.db2.gz IMMWHMKZULJAJC-HXUWFJFHSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H](c1cccc(F)c1)N1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310198 1421253237 /nfs/dbraw/zinc/25/32/37/1421253237.db2.gz CPYDODWVNDNSFN-CRAIPNDOSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001717375888 1421317524 /nfs/dbraw/zinc/31/75/24/1421317524.db2.gz FXKYDMUUFQQJEC-MOPGFXCFSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001717375888 1421317527 /nfs/dbraw/zinc/31/75/27/1421317527.db2.gz FXKYDMUUFQQJEC-MOPGFXCFSA-N 1 3 337.552 3.364 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001717423426 1421353077 /nfs/dbraw/zinc/35/30/77/1421353077.db2.gz SIQMTXHGBSZJCG-JKSUJKDBSA-N 1 3 349.494 3.013 10 0 EGAEHO CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001717542893 1421483574 /nfs/dbraw/zinc/48/35/74/1421483574.db2.gz NUZBJYLVXMXAFQ-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001717542893 1421483576 /nfs/dbraw/zinc/48/35/76/1421483576.db2.gz NUZBJYLVXMXAFQ-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001717582651 1421509089 /nfs/dbraw/zinc/50/90/89/1421509089.db2.gz NLSNEFXCIYLEQT-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)(C)CCC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001717582651 1421509090 /nfs/dbraw/zinc/50/90/90/1421509090.db2.gz NLSNEFXCIYLEQT-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001717631185 1421541256 /nfs/dbraw/zinc/54/12/56/1421541256.db2.gz OXVJBAXIHOTSKT-OYRHEFFESA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001717631185 1421541259 /nfs/dbraw/zinc/54/12/59/1421541259.db2.gz OXVJBAXIHOTSKT-OYRHEFFESA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758680 1421621376 /nfs/dbraw/zinc/62/13/76/1421621376.db2.gz ZNLWCXHXWKPSBZ-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001733327317 1429512638 /nfs/dbraw/zinc/51/26/38/1429512638.db2.gz NCKCDMBBRYPCNS-IAGOWNOFSA-N 1 3 337.552 3.266 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)cccc1C ZINC001723202337 1424320243 /nfs/dbraw/zinc/32/02/43/1424320243.db2.gz CBTWQIAAJDNDEU-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723854402 1424585942 /nfs/dbraw/zinc/58/59/42/1424585942.db2.gz AWDVEQLGWHDKGL-FUHWJXTLSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533231 1429739892 /nfs/dbraw/zinc/73/98/92/1429739892.db2.gz ITBRWSIYYUKIGJ-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537835 1429744286 /nfs/dbraw/zinc/74/42/86/1429744286.db2.gz IHUWUCSPKQIUJF-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001724176685 1424712676 /nfs/dbraw/zinc/71/26/76/1424712676.db2.gz XTFANXAKNIXAQG-YZKSSJSGSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001724176685 1424712681 /nfs/dbraw/zinc/71/26/81/1424712681.db2.gz XTFANXAKNIXAQG-YZKSSJSGSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001724176682 1424713559 /nfs/dbraw/zinc/71/35/59/1424713559.db2.gz XTFANXAKNIXAQG-OANMOWAGSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001724176682 1424713563 /nfs/dbraw/zinc/71/35/63/1424713563.db2.gz XTFANXAKNIXAQG-OANMOWAGSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1)N1CCCCC1 ZINC001724342917 1424841149 /nfs/dbraw/zinc/84/11/49/1424841149.db2.gz FMNVBMPTPPXPES-UYAOXDASSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1)N1CCCCC1 ZINC001724342917 1424841154 /nfs/dbraw/zinc/84/11/54/1424841154.db2.gz FMNVBMPTPPXPES-UYAOXDASSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001724711654 1425067259 /nfs/dbraw/zinc/06/72/59/1425067259.db2.gz HKBXWSIUOGUPCC-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(CC(=O)NCc1ccccc1C[N@H+](C)CC1CC1)CC(C)(C)C ZINC001724737883 1425098715 /nfs/dbraw/zinc/09/87/15/1425098715.db2.gz FUGADGXBVACEII-UHFFFAOYSA-N 1 3 345.531 3.123 10 0 EGAEHO CN(CC(=O)NCc1ccccc1C[N@@H+](C)CC1CC1)CC(C)(C)C ZINC001724737883 1425098721 /nfs/dbraw/zinc/09/87/21/1425098721.db2.gz FUGADGXBVACEII-UHFFFAOYSA-N 1 3 345.531 3.123 10 0 EGAEHO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001724860153 1425242977 /nfs/dbraw/zinc/24/29/77/1425242977.db2.gz GZMMKELZMOORMM-BGYRXZFFSA-N 1 3 347.547 3.116 10 0 EGAEHO CC[C@H]([NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001725076555 1425516284 /nfs/dbraw/zinc/51/62/84/1425516284.db2.gz RJFBGPFLZFRQOX-PPSBMQLTSA-N 1 3 349.494 3.101 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001725094460 1425537469 /nfs/dbraw/zinc/53/74/69/1425537469.db2.gz PDEFTGXFWRJKRE-HZPDHXFCSA-N 1 3 343.515 3.031 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001725171867 1425681576 /nfs/dbraw/zinc/68/15/76/1425681576.db2.gz NUHNGTRMRZWNEB-UZLBHIALSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001725171867 1425681577 /nfs/dbraw/zinc/68/15/77/1425681577.db2.gz NUHNGTRMRZWNEB-UZLBHIALSA-N 1 3 345.531 3.087 10 0 EGAEHO CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)C(C)(C)N1CCCCC1 ZINC001725191502 1425736954 /nfs/dbraw/zinc/73/69/54/1425736954.db2.gz ZINYIKPSIUCSOO-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001725229061 1425799389 /nfs/dbraw/zinc/79/93/89/1425799389.db2.gz KDVLXEOOXKEFKR-MRXNPFEDSA-N 1 3 348.535 3.352 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001725362807 1426013486 /nfs/dbraw/zinc/01/34/86/1426013486.db2.gz AUCYDEMQASXDSQ-WGSAOQKQSA-N 1 3 349.563 3.339 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCC2=CCCCC2)CC1 ZINC001725428249 1426093710 /nfs/dbraw/zinc/09/37/10/1426093710.db2.gz ZZHSFXVYLNZOPV-UHFFFAOYSA-N 1 3 335.536 3.142 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC001725428249 1426093716 /nfs/dbraw/zinc/09/37/16/1426093716.db2.gz ZZHSFXVYLNZOPV-UHFFFAOYSA-N 1 3 335.536 3.142 10 0 EGAEHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC(C)CC1 ZINC001725508898 1426194751 /nfs/dbraw/zinc/19/47/51/1426194751.db2.gz YKTDUGUGRDHQOX-ADKAHSJRSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001725623008 1426289203 /nfs/dbraw/zinc/28/92/03/1426289203.db2.gz LHAGFAGNENTSMM-CEXWTWQISA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001725667351 1426350543 /nfs/dbraw/zinc/35/05/43/1426350543.db2.gz DXUYQUDSEWYNTC-QZTJIDSGSA-N 1 3 337.552 3.122 10 0 EGAEHO CN(CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)CC(C)(C)C ZINC001725678240 1426365090 /nfs/dbraw/zinc/36/50/90/1426365090.db2.gz QUFLVXLGGMKLMB-GOSISDBHSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730220 1426398439 /nfs/dbraw/zinc/39/84/39/1426398439.db2.gz QKGOCSOBOXFIIS-ROUUACIJSA-N 1 3 348.535 3.337 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730220 1426398445 /nfs/dbraw/zinc/39/84/45/1426398445.db2.gz QKGOCSOBOXFIIS-ROUUACIJSA-N 1 3 348.535 3.337 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC001725762326 1426443160 /nfs/dbraw/zinc/44/31/60/1426443160.db2.gz AHFRUFALKIFUCG-FUHIMQAGSA-N 1 3 345.531 3.305 10 0 EGAEHO CCC[NH+]1CCC(C2(NC(=O)[C@@H](C)N3CCCCCC3)CC2)CC1 ZINC001725795539 1426481114 /nfs/dbraw/zinc/48/11/14/1426481114.db2.gz YCKKFADRFDAYEU-QGZVFWFLSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+]([C@H](CC)c2ccccc2)CC1 ZINC001725834111 1426512994 /nfs/dbraw/zinc/51/29/94/1426512994.db2.gz PLLXGNANCLSNIE-HXUWFJFHSA-N 1 3 343.515 3.228 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+]([C@H](CC)c2ccccc2)CC1 ZINC001725834111 1426513000 /nfs/dbraw/zinc/51/30/00/1426513000.db2.gz PLLXGNANCLSNIE-HXUWFJFHSA-N 1 3 343.515 3.228 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423807 1427403687 /nfs/dbraw/zinc/40/36/87/1427403687.db2.gz CCCOXMXQOQMWSE-OALUTQOASA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001731423807 1427403691 /nfs/dbraw/zinc/40/36/91/1427403691.db2.gz CCCOXMXQOQMWSE-OALUTQOASA-N 1 3 339.568 3.179 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001731488222 1427462842 /nfs/dbraw/zinc/46/28/42/1427462842.db2.gz RKJYXVLKVVZCJR-OKYOBFRVSA-N 1 3 337.552 3.168 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001731528382 1427518019 /nfs/dbraw/zinc/51/80/19/1427518019.db2.gz ZQGXTMXHGFAPOK-IBGZPJMESA-N 1 3 337.552 3.127 10 0 EGAEHO Cc1c(C)c(C)c(C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)c(C)c1C ZINC001731640973 1427700527 /nfs/dbraw/zinc/70/05/27/1427700527.db2.gz RLMOPBNCIMKUAS-CQSZACIVSA-N 1 3 347.547 3.163 10 0 EGAEHO CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001731746730 1427837675 /nfs/dbraw/zinc/83/76/75/1427837675.db2.gz JAPYHHZBGGTUHZ-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001731746730 1427837678 /nfs/dbraw/zinc/83/76/78/1427837678.db2.gz JAPYHHZBGGTUHZ-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832364 1428043901 /nfs/dbraw/zinc/04/39/01/1428043901.db2.gz BFWNJQGWRXBEPF-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832364 1428043903 /nfs/dbraw/zinc/04/39/03/1428043903.db2.gz BFWNJQGWRXBEPF-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001733665105 1429858722 /nfs/dbraw/zinc/85/87/22/1429858722.db2.gz CPPCCBQEGSPINC-GOSISDBHSA-N 1 3 346.519 3.141 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676474 1429871833 /nfs/dbraw/zinc/87/18/33/1429871833.db2.gz NDFNMFOTLQLWBT-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001733682757 1429896516 /nfs/dbraw/zinc/89/65/16/1429896516.db2.gz VRVQJIQNNOTMTA-APWZRJJASA-N 1 3 349.494 3.186 10 0 EGAEHO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C)c1ccccc1 ZINC001733710468 1429926601 /nfs/dbraw/zinc/92/66/01/1429926601.db2.gz JXGXAQGQZHQTFI-VAMGGRTRSA-N 1 3 345.531 3.449 10 0 EGAEHO CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCC1 ZINC001733724467 1429948812 /nfs/dbraw/zinc/94/88/12/1429948812.db2.gz INQXYHACHUCHMV-SFHVURJKSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCC1)N1CCCCCC1 ZINC001733724710 1429949181 /nfs/dbraw/zinc/94/91/81/1429949181.db2.gz LUCAJWBNFHVYQL-SFHVURJKSA-N 1 3 349.563 3.460 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733783055 1430049926 /nfs/dbraw/zinc/04/99/26/1430049926.db2.gz VQOFPEMPROHPAA-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733783055 1430049931 /nfs/dbraw/zinc/04/99/31/1430049931.db2.gz VQOFPEMPROHPAA-VQTJNVASSA-N 1 3 349.563 3.220 10 0 EGAEHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001733861583 1437691267 /nfs/dbraw/zinc/69/12/67/1437691267.db2.gz OZYYYVANUWYFHW-QFBILLFUSA-N 1 3 345.531 3.235 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733974229 1437773956 /nfs/dbraw/zinc/77/39/56/1437773956.db2.gz UDALGOAMZTXZEG-DLBZAZTESA-N 1 3 325.541 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006575 1437798575 /nfs/dbraw/zinc/79/85/75/1437798575.db2.gz PYXGNZZFICUOLO-SJORKVTESA-N 1 3 347.547 3.307 10 0 EGAEHO CN(CC(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1)C1CCC1 ZINC001734010422 1437802020 /nfs/dbraw/zinc/80/20/20/1437802020.db2.gz AYOXYCIMRAMZIY-UHFFFAOYSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)C[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001734094693 1437878900 /nfs/dbraw/zinc/87/89/00/1437878900.db2.gz FIQIVFVQQGLYQB-SFHVURJKSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001734123738 1437903719 /nfs/dbraw/zinc/90/37/19/1437903719.db2.gz IDQAORYFQDCEHC-IRXDYDNUSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001734485005 1438128439 /nfs/dbraw/zinc/12/84/39/1438128439.db2.gz IUWAEXIWSMISQS-ROUUACIJSA-N 1 3 344.503 3.026 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC001734494744 1438131902 /nfs/dbraw/zinc/13/19/02/1438131902.db2.gz BYIXSONJXDACAQ-TYFAACHXSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)CN1CCCC1 ZINC001734555072 1438154254 /nfs/dbraw/zinc/15/42/54/1438154254.db2.gz ZBLQJHLXXNEMAF-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCCCCC1)C(=O)CN1CCCC1 ZINC001734555072 1438154255 /nfs/dbraw/zinc/15/42/55/1438154255.db2.gz ZBLQJHLXXNEMAF-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCC(C)(C)C)C1 ZINC001750933130 1440114164 /nfs/dbraw/zinc/11/41/64/1440114164.db2.gz YVAXLUZCBFUOPB-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCC(C)(C)C)C1 ZINC001750933130 1440114165 /nfs/dbraw/zinc/11/41/65/1440114165.db2.gz YVAXLUZCBFUOPB-ROUUACIJSA-N 1 3 337.552 3.077 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353432398 283138633 /nfs/dbraw/zinc/13/86/33/283138633.db2.gz BRFDELLZBVGYFZ-XLAORIBOSA-N 1 3 333.545 3.347 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353432398 283138637 /nfs/dbraw/zinc/13/86/37/283138637.db2.gz BRFDELLZBVGYFZ-XLAORIBOSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353432398 283138643 /nfs/dbraw/zinc/13/86/43/283138643.db2.gz BRFDELLZBVGYFZ-XLAORIBOSA-N 1 3 333.545 3.347 10 0 EGAEHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081363186 217388365 /nfs/dbraw/zinc/38/83/65/217388365.db2.gz RCSBIPHRRZIKTF-LJQANCHMSA-N 1 3 343.515 3.086 10 0 EGAEHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081363186 217388368 /nfs/dbraw/zinc/38/83/68/217388368.db2.gz RCSBIPHRRZIKTF-LJQANCHMSA-N 1 3 343.515 3.086 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000268746466 252196690 /nfs/dbraw/zinc/19/66/90/252196690.db2.gz HUBNJVKMOBLGEZ-UTKZUKDTSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@H]1CCCCN1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118772693 221180068 /nfs/dbraw/zinc/18/00/68/221180068.db2.gz LYHLFXLIVPYLEH-HNNXBMFYSA-N 1 3 343.471 3.099 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000353461594 141301830 /nfs/dbraw/zinc/30/18/30/141301830.db2.gz MLHSYYADBNYZKM-KURKYZTESA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000353461594 141301833 /nfs/dbraw/zinc/30/18/33/141301833.db2.gz MLHSYYADBNYZKM-KURKYZTESA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1OC ZINC000353461594 141301835 /nfs/dbraw/zinc/30/18/35/141301835.db2.gz MLHSYYADBNYZKM-KURKYZTESA-N 1 3 332.488 3.446 10 0 EGAEHO C[C@@H](c1cccc(Cl)c1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000187363778 144157827 /nfs/dbraw/zinc/15/78/27/144157827.db2.gz CFPCUCOWKNTHLN-AWEZNQCLSA-N 1 3 341.902 3.498 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000191464006 153198198 /nfs/dbraw/zinc/19/81/98/153198198.db2.gz WDIOTLHIVCRUBR-NRFANRHFSA-N 1 3 347.522 3.249 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000191464006 153198202 /nfs/dbraw/zinc/19/82/02/153198202.db2.gz WDIOTLHIVCRUBR-NRFANRHFSA-N 1 3 347.522 3.249 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349079167 156345825 /nfs/dbraw/zinc/34/58/25/156345825.db2.gz IOUZRZFQLQZZSK-HXUWFJFHSA-N 1 3 343.515 3.163 10 0 EGAEHO CCCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000248887689 163043370 /nfs/dbraw/zinc/04/33/70/163043370.db2.gz VENSOCLBRHWLJY-PKOBYXMFSA-N 1 3 331.504 3.017 10 0 EGAEHO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000359854264 167249768 /nfs/dbraw/zinc/24/97/68/167249768.db2.gz VENOBENOXCIZHA-UHFFFAOYSA-N 1 3 345.531 3.476 10 0 EGAEHO c1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)n(-c2ccccc2)n1 ZINC000279080479 275302110 /nfs/dbraw/zinc/30/21/10/275302110.db2.gz HCORSPPVWNSTOQ-UHFFFAOYSA-N 1 3 347.466 3.274 10 0 EGAEHO CC(=O)N1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)c2ccc(F)cc2C1 ZINC000184522854 277009583 /nfs/dbraw/zinc/00/95/83/277009583.db2.gz UZHSYCBLWOPBIU-FQEVSTJZSA-N 1 3 347.478 3.081 10 0 EGAEHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCCC1 ZINC000248407237 308002473 /nfs/dbraw/zinc/00/24/73/308002473.db2.gz CSVJORWIVHWJBR-HSALFYBXSA-N 1 3 328.500 3.182 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000293728547 308156685 /nfs/dbraw/zinc/15/66/85/308156685.db2.gz MVBLFTCBLWILSM-ZYHUDNBSSA-N 1 3 329.307 3.429 10 0 EGAEHO CCCCC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414674387 309094972 /nfs/dbraw/zinc/09/49/72/309094972.db2.gz DVTODNRDGQYFQI-GOSISDBHSA-N 1 3 349.494 3.015 10 0 EGAEHO CCCCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414674387 309094973 /nfs/dbraw/zinc/09/49/73/309094973.db2.gz DVTODNRDGQYFQI-GOSISDBHSA-N 1 3 349.494 3.015 10 0 EGAEHO C[C@H]1CCC[C@H](C)C1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397564711 308904540 /nfs/dbraw/zinc/90/45/40/308904540.db2.gz UZRZPPZXBVGJJW-ROUUACIJSA-N 1 3 330.516 3.428 10 0 EGAEHO CCCN1CCN(c2ccccc2CNc2ccc(C[NH3+])cc2)CC1 ZINC000414916012 309109046 /nfs/dbraw/zinc/10/90/46/309109046.db2.gz RUBLMJFAUMMGKD-UHFFFAOYSA-N 1 3 338.499 3.289 10 0 EGAEHO CN(C)Cc1cc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)ccc1F ZINC000415111586 309120997 /nfs/dbraw/zinc/12/09/97/309120997.db2.gz RGHBYRORLXEUFG-FPOVZHCZSA-N 1 3 341.474 3.470 10 0 EGAEHO CN(C)Cc1cc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccc1F ZINC000415111586 309120998 /nfs/dbraw/zinc/12/09/98/309120998.db2.gz RGHBYRORLXEUFG-FPOVZHCZSA-N 1 3 341.474 3.470 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000415898451 309146666 /nfs/dbraw/zinc/14/66/66/309146666.db2.gz HKZWHHLCRBXBBN-UHFFFAOYSA-N 1 3 332.492 3.040 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000415957806 309151251 /nfs/dbraw/zinc/15/12/51/309151251.db2.gz PVISPDHJTANLEE-MRXNPFEDSA-N 1 3 332.492 3.038 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)cc1 ZINC000417816316 309223768 /nfs/dbraw/zinc/22/37/68/309223768.db2.gz PUHYMMHNQNCFFO-RDTXWAMCSA-N 1 3 325.456 3.049 10 0 EGAEHO C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)CN(C)C ZINC000419751452 309271501 /nfs/dbraw/zinc/27/15/01/309271501.db2.gz URDVXQWKCMWMDG-INIZCTEOSA-N 1 3 341.503 3.348 10 0 EGAEHO C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)CN(C)C ZINC000419751453 309271560 /nfs/dbraw/zinc/27/15/60/309271560.db2.gz URDVXQWKCMWMDG-MRXNPFEDSA-N 1 3 341.503 3.348 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744293 309366329 /nfs/dbraw/zinc/36/63/29/309366329.db2.gz JVKZSQFQDUKXBF-ICSRJNTNSA-N 1 3 327.472 3.017 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422921670 309376207 /nfs/dbraw/zinc/37/62/07/309376207.db2.gz OOMKFVXBMVBTNF-TYCQWZJGSA-N 1 3 343.515 3.240 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422921670 309376208 /nfs/dbraw/zinc/37/62/08/309376208.db2.gz OOMKFVXBMVBTNF-TYCQWZJGSA-N 1 3 343.515 3.240 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423045226 309382878 /nfs/dbraw/zinc/38/28/78/309382878.db2.gz CPILCEMDVJTKDB-LDBYXDLTSA-N 1 3 338.499 3.020 10 0 EGAEHO Cc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc(N2CCCC2)n1 ZINC000423120525 309386808 /nfs/dbraw/zinc/38/68/08/309386808.db2.gz HARSTDHIIZVRPB-OAHLLOKOSA-N 1 3 339.487 3.003 10 0 EGAEHO Cc1ccc(C[C@H](CO)N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1C ZINC000423158223 309388710 /nfs/dbraw/zinc/38/87/10/309388710.db2.gz CMJFLXGZMGKSLS-IVAOSVALSA-N 1 3 330.516 3.107 10 0 EGAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3ccoc3)cc2)CC1 ZINC000449083352 310035615 /nfs/dbraw/zinc/03/56/15/310035615.db2.gz SZHNSEHTNQTITI-SFHVURJKSA-N 1 3 341.499 3.138 10 0 EGAEHO C[C@@H](CC[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[S@@](C)=O ZINC000449219168 310045408 /nfs/dbraw/zinc/04/54/08/310045408.db2.gz CLCYWIHTUJUBTH-OYHNWAKOSA-N 1 3 330.582 3.412 10 0 EGAEHO C[C@H](CC[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[S@](C)=O ZINC000449219169 310045517 /nfs/dbraw/zinc/04/55/17/310045517.db2.gz CLCYWIHTUJUBTH-QRQCRPRQSA-N 1 3 330.582 3.412 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)C(F)F ZINC000449421358 310060636 /nfs/dbraw/zinc/06/06/36/310060636.db2.gz IMNNAKCPVXFAPQ-ORQFMDKSSA-N 1 3 326.431 3.034 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)C(F)F ZINC000449421358 310060637 /nfs/dbraw/zinc/06/06/37/310060637.db2.gz IMNNAKCPVXFAPQ-ORQFMDKSSA-N 1 3 326.431 3.034 10 0 EGAEHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000449853651 310090699 /nfs/dbraw/zinc/09/06/99/310090699.db2.gz WGAUWUQZIHNCGC-PMACEKPBSA-N 1 3 347.547 3.260 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000450744186 310140515 /nfs/dbraw/zinc/14/05/15/310140515.db2.gz LGKMUVQWZLPBKI-QGZVFWFLSA-N 1 3 343.506 3.161 10 0 EGAEHO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000453316405 310270701 /nfs/dbraw/zinc/27/07/01/310270701.db2.gz WJYHWZMNHDWADR-MRXNPFEDSA-N 1 3 338.467 3.044 10 0 EGAEHO CN1CCC(C[NH2+]CCc2ccc(Cl)cc2)(N2CCCCC2)CC1 ZINC000459425833 310551826 /nfs/dbraw/zinc/55/18/26/310551826.db2.gz SLHFIPXGNWSEDC-UHFFFAOYSA-N 1 3 349.950 3.422 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCSC[C@H](C)C2)CC1 ZINC000488376149 311062773 /nfs/dbraw/zinc/06/27/73/311062773.db2.gz DLWOOTXFQIMNRF-GOSISDBHSA-N 1 3 347.572 3.404 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCSC[C@H](C)C2)CC1 ZINC000488376149 311062775 /nfs/dbraw/zinc/06/27/75/311062775.db2.gz DLWOOTXFQIMNRF-GOSISDBHSA-N 1 3 347.572 3.404 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527741085 312929646 /nfs/dbraw/zinc/92/96/46/312929646.db2.gz XVTAXFNGYQIBKF-IBGZPJMESA-N 1 3 345.531 3.125 10 0 EGAEHO OCc1ccc(F)c(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000528417880 313088341 /nfs/dbraw/zinc/08/83/41/313088341.db2.gz AECVSCJTKFNVIX-UHFFFAOYSA-N 1 3 334.479 3.406 10 0 EGAEHO C[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208609 313497039 /nfs/dbraw/zinc/49/70/39/313497039.db2.gz FXXQBWRVDNIIPI-VIPLHTEESA-N 1 3 330.472 3.117 10 0 EGAEHO Fc1ccc(-c2nc(CC[NH2+]C3CCN(CC4CC4)CC3)co2)cc1 ZINC000540409190 314378726 /nfs/dbraw/zinc/37/87/26/314378726.db2.gz ADQYAFJTFIPJBN-UHFFFAOYSA-N 1 3 343.446 3.487 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000552998275 315240657 /nfs/dbraw/zinc/24/06/57/315240657.db2.gz ZCCWIVIAEVFWJG-ROUUACIJSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000552998275 315240660 /nfs/dbraw/zinc/24/06/60/315240660.db2.gz ZCCWIVIAEVFWJG-ROUUACIJSA-N 1 3 343.515 3.019 10 0 EGAEHO COCCNC1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000570974143 317134341 /nfs/dbraw/zinc/13/43/41/317134341.db2.gz MRAHISWUDMBVPR-UHFFFAOYSA-N 1 3 326.484 3.473 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000572632889 317367852 /nfs/dbraw/zinc/36/78/52/317367852.db2.gz YBFORRZWOUJKCW-RTBURBONSA-N 1 3 348.531 3.404 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192785084 455692139 /nfs/dbraw/zinc/69/21/39/455692139.db2.gz LNSBDXINGKFSCM-OAHLLOKOSA-N 1 3 325.447 3.032 10 0 EGAEHO CCC[NH+]1CCC(CN[C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182830637 323578022 /nfs/dbraw/zinc/57/80/22/323578022.db2.gz ANXHGSAFLGNRMC-GOSISDBHSA-N 1 3 326.431 3.364 10 0 EGAEHO CNCc1cccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000579691493 325146122 /nfs/dbraw/zinc/14/61/22/325146122.db2.gz VRQWTDSTKSRGSH-UHFFFAOYSA-N 1 3 337.467 3.200 10 0 EGAEHO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000241287482 455266689 /nfs/dbraw/zinc/26/66/89/455266689.db2.gz LLULCWNESNCMDO-GMXVVIOVSA-N 1 3 329.257 3.188 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)Nc2cc(CN3CCCC3)ccc2C)CC[N@@H+]1C ZINC000631947795 460601012 /nfs/dbraw/zinc/60/10/12/460601012.db2.gz MOINLBYUEBJLPG-PKOBYXMFSA-N 1 3 329.488 3.260 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)Nc2cc(CN3CCCC3)ccc2C)CC[N@H+]1C ZINC000631947795 460601020 /nfs/dbraw/zinc/60/10/20/460601020.db2.gz MOINLBYUEBJLPG-PKOBYXMFSA-N 1 3 329.488 3.260 10 0 EGAEHO CCn1c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000067452618 453932000 /nfs/dbraw/zinc/93/20/00/453932000.db2.gz BVZAPLZFVRDXBW-CALCHBBNSA-N 1 3 344.503 3.035 10 0 EGAEHO COc1ccc([C@@H]2[C@H](CN[C@@H](C)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000095982624 454249370 /nfs/dbraw/zinc/24/93/70/454249370.db2.gz QERKCKAFEGHNIQ-ZAAXVRCTSA-N 1 3 325.456 3.434 10 0 EGAEHO COc1ccc([C@@H]2[C@H](CN[C@@H](C)c3ccncc3)CC[N@H+]2C)cc1 ZINC000095982624 454249375 /nfs/dbraw/zinc/24/93/75/454249375.db2.gz QERKCKAFEGHNIQ-ZAAXVRCTSA-N 1 3 325.456 3.434 10 0 EGAEHO CC(=O)c1c(C)cc(C)c(CN2CCC(OCC[NH+](C)C)CC2)c1C ZINC000072280918 454282251 /nfs/dbraw/zinc/28/22/51/454282251.db2.gz KEJHOGULCJZOAR-UHFFFAOYSA-N 1 3 346.515 3.357 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000246245359 455456786 /nfs/dbraw/zinc/45/67/86/455456786.db2.gz JGSVONFGWIUOHM-BTHPGYMESA-N 1 3 343.515 3.015 10 0 EGAEHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165727414 454903312 /nfs/dbraw/zinc/90/33/12/454903312.db2.gz DDTJFXDWMALJOV-SLFFLAALSA-N 1 3 343.515 3.093 10 0 EGAEHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128254063 455039875 /nfs/dbraw/zinc/03/98/75/455039875.db2.gz FAWQVQQGKZRBEK-OAHLLOKOSA-N 1 3 343.968 3.340 10 0 EGAEHO CCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245639574 455345715 /nfs/dbraw/zinc/34/57/15/455345715.db2.gz ALJBVAXOOVHTPK-WOZUAGRISA-N 1 3 327.516 3.256 10 0 EGAEHO C[NH+](C)CCCCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000270181005 455895536 /nfs/dbraw/zinc/89/55/36/455895536.db2.gz FPZBYMKSYLXMAX-UHFFFAOYSA-N 1 3 342.274 3.006 10 0 EGAEHO NCc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035811 456082731 /nfs/dbraw/zinc/08/27/31/456082731.db2.gz VBBFPGAOEGGURI-UGFHNGPFSA-N 1 3 341.377 3.023 10 0 EGAEHO c1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000236698347 456171781 /nfs/dbraw/zinc/17/17/81/456171781.db2.gz FSXSNHXSDIHLKG-UHFFFAOYSA-N 1 3 337.511 3.374 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000340517487 456503656 /nfs/dbraw/zinc/50/36/56/456503656.db2.gz QTPFYWIQMVSWBG-FQEVSTJZSA-N 1 3 341.503 3.078 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353633253 456817536 /nfs/dbraw/zinc/81/75/36/456817536.db2.gz VXNKITAMZGOTBM-UXHICEINSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353633253 456817547 /nfs/dbraw/zinc/81/75/47/456817547.db2.gz VXNKITAMZGOTBM-UXHICEINSA-N 1 3 343.515 3.032 10 0 EGAEHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CCN(C)CC1 ZINC000342164874 457145575 /nfs/dbraw/zinc/14/55/75/457145575.db2.gz NFESMQRWUOTXQA-UVTDQMKNSA-N 1 3 342.405 3.155 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000356304596 457563071 /nfs/dbraw/zinc/56/30/71/457563071.db2.gz JGPTYQQTURTUNB-RTBURBONSA-N 1 3 345.531 3.123 10 0 EGAEHO CN1CCC[C@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CC[C@H]21 ZINC000361669305 457815713 /nfs/dbraw/zinc/81/57/13/457815713.db2.gz AHHVISZZASQLSJ-LSDHHAIUSA-N 1 3 346.500 3.147 10 0 EGAEHO CN1CCC[C@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CC[C@H]21 ZINC000361669305 457815718 /nfs/dbraw/zinc/81/57/18/457815718.db2.gz AHHVISZZASQLSJ-LSDHHAIUSA-N 1 3 346.500 3.147 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C[C@H](C)O1 ZINC000361889984 457933703 /nfs/dbraw/zinc/93/37/03/457933703.db2.gz RZQAUBPIBRHZND-PXTPFGJHSA-N 1 3 338.536 3.061 10 0 EGAEHO OC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000447578155 458315120 /nfs/dbraw/zinc/31/51/20/458315120.db2.gz DAHBRACJOIFKNF-NXOAAHMSSA-N 1 3 342.405 3.085 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000431572597 458590153 /nfs/dbraw/zinc/59/01/53/458590153.db2.gz XECZKFMBRLBSQH-DLBZAZTESA-N 1 3 349.544 3.266 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000431572597 458590158 /nfs/dbraw/zinc/59/01/58/458590158.db2.gz XECZKFMBRLBSQH-DLBZAZTESA-N 1 3 349.544 3.266 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC12CCCCC2 ZINC000462467684 458622445 /nfs/dbraw/zinc/62/24/45/458622445.db2.gz JYSBWWZLRHAVBO-KRWDZBQOSA-N 1 3 347.547 3.022 10 0 EGAEHO Cc1cccc2c1ncc(C)c2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432875547 458805140 /nfs/dbraw/zinc/80/51/40/458805140.db2.gz XFGLTOVDYVRIDF-KRWDZBQOSA-N 1 3 327.472 3.186 10 0 EGAEHO Cc1cccc2c1ncc(C)c2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432875547 458805144 /nfs/dbraw/zinc/80/51/44/458805144.db2.gz XFGLTOVDYVRIDF-KRWDZBQOSA-N 1 3 327.472 3.186 10 0 EGAEHO C[C@@H]1CN(C)C[C@@H]1NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682937 458959708 /nfs/dbraw/zinc/95/97/08/458959708.db2.gz KLINKZLOOSXYJR-IIMDRIAPSA-N 1 3 329.532 3.204 10 0 EGAEHO C[C@@H]1CN(C)C[C@@H]1NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682937 458959712 /nfs/dbraw/zinc/95/97/12/458959712.db2.gz KLINKZLOOSXYJR-IIMDRIAPSA-N 1 3 329.532 3.204 10 0 EGAEHO CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)C1CC1 ZINC000556890675 459028397 /nfs/dbraw/zinc/02/83/97/459028397.db2.gz VCZZXIGKBOMGEK-LNRXMEIDSA-N 1 3 341.543 3.359 10 0 EGAEHO CC[C@@H](c1ccccc1)N(CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000520174614 459036038 /nfs/dbraw/zinc/03/60/38/459036038.db2.gz RBQBJVPKRMXXGN-FQEVSTJZSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000532514660 459103748 /nfs/dbraw/zinc/10/37/48/459103748.db2.gz MTLAZMIZKIKUSG-BEFAXECRSA-N 1 3 335.923 3.092 10 0 EGAEHO O=C(CCN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc2ccccc21 ZINC000583025426 459469140 /nfs/dbraw/zinc/46/91/40/459469140.db2.gz ZZXMHTPTMGSHQD-NRFANRHFSA-N 1 3 337.467 3.244 10 0 EGAEHO O=C(CC[N@@H+]1CC[C@@]2(C1)CCCNC2)Nc1cccc2ccccc21 ZINC000583025426 459469149 /nfs/dbraw/zinc/46/91/49/459469149.db2.gz ZZXMHTPTMGSHQD-NRFANRHFSA-N 1 3 337.467 3.244 10 0 EGAEHO O=C(CC[N@H+]1CC[C@@]2(C1)CCCNC2)Nc1cccc2ccccc21 ZINC000583025426 459469156 /nfs/dbraw/zinc/46/91/56/459469156.db2.gz ZZXMHTPTMGSHQD-NRFANRHFSA-N 1 3 337.467 3.244 10 0 EGAEHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cn2ccccc2n1 ZINC000583035924 459471787 /nfs/dbraw/zinc/47/17/87/459471787.db2.gz YBMHWBSAPYEKPW-INIZCTEOSA-N 1 3 335.455 3.297 10 0 EGAEHO CN(c1ccccc1C[NH2+]CC[C@H]1CCCOC1)C1CCN(C)CC1 ZINC000527739363 459720029 /nfs/dbraw/zinc/72/00/29/459720029.db2.gz MQESTIHNHHBEDD-GOSISDBHSA-N 1 3 345.531 3.123 10 0 EGAEHO CN1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409322 459730652 /nfs/dbraw/zinc/73/06/52/459730652.db2.gz BRSHGXKKXBRVBF-WOJBJXKFSA-N 1 3 327.516 3.115 10 0 EGAEHO COC(=O)c1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1Cl ZINC000597046170 459824127 /nfs/dbraw/zinc/82/41/27/459824127.db2.gz AJLSRRCRUDKMJY-UHFFFAOYSA-N 1 3 336.863 3.233 10 0 EGAEHO CC(C)C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983004 460115490 /nfs/dbraw/zinc/11/54/90/460115490.db2.gz WYHYDPRWOGFNOT-JKSUJKDBSA-N 1 3 326.525 3.453 10 0 EGAEHO CC(C)C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983004 460115499 /nfs/dbraw/zinc/11/54/99/460115499.db2.gz WYHYDPRWOGFNOT-JKSUJKDBSA-N 1 3 326.525 3.453 10 0 EGAEHO C(CN1CCCCC1)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625998244 460331416 /nfs/dbraw/zinc/33/14/16/460331416.db2.gz CCLHVJAUBIHGOC-UHFFFAOYSA-N 1 3 346.519 3.468 10 0 EGAEHO F[C@@H](c1nc(-c2cccc(CN3CCCCC3)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000634553716 460417653 /nfs/dbraw/zinc/41/76/53/460417653.db2.gz FRTSNFISVQFZLA-IAGOWNOFSA-N 1 3 344.434 3.343 10 0 EGAEHO CCn1c2ccccc2c2cc(C[NH2+]CC3(N)CCOCC3)ccc21 ZINC000629389201 460746962 /nfs/dbraw/zinc/74/69/62/460746962.db2.gz ZLBVEFGUOXWSBD-UHFFFAOYSA-N 1 3 337.467 3.412 10 0 EGAEHO NC1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CCOCC1 ZINC000629525057 460795920 /nfs/dbraw/zinc/79/59/20/460795920.db2.gz QTXTUAAEVJWGFB-ZDUSSCGKSA-N 1 3 345.306 3.059 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000629528964 460797068 /nfs/dbraw/zinc/79/70/68/460797068.db2.gz OBELQYRQRHEPJX-NSHDSACASA-N 1 3 325.503 3.067 10 0 EGAEHO CC[C@H](c1ccc(Br)cc1)N(C)CCOCC[NH2+]C ZINC000629572208 460812723 /nfs/dbraw/zinc/81/27/23/460812723.db2.gz XXGTVVUBAIMDCG-OAHLLOKOSA-N 1 3 329.282 3.068 10 0 EGAEHO C[C@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000624078765 460849777 /nfs/dbraw/zinc/84/97/77/460849777.db2.gz TXFMSATYACHNLY-XGWLTEMNSA-N 1 3 342.405 3.241 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000624123987 460872859 /nfs/dbraw/zinc/87/28/59/460872859.db2.gz VFWQBZVRTJGDBI-PZJWPPBQSA-N 1 3 343.559 3.404 10 0 EGAEHO CN(CCCO)C1CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC000621258058 460964187 /nfs/dbraw/zinc/96/41/87/460964187.db2.gz WHWDVRCXCKYUTM-UHFFFAOYSA-N 1 3 338.923 3.441 10 0 EGAEHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(-n2cccn2)c1 ZINC000662284704 461165107 /nfs/dbraw/zinc/16/51/07/461165107.db2.gz ZLUIPBAXYUWZKD-MRXNPFEDSA-N 1 3 332.451 3.369 10 0 EGAEHO O=C(C[C@@H]1NCc2ccccc21)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000659321519 461292934 /nfs/dbraw/zinc/29/29/34/461292934.db2.gz WBARLCMZVWXERQ-NRFANRHFSA-N 1 3 349.478 3.498 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H](CN[C@H]3CO[C@@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713325 461392009 /nfs/dbraw/zinc/39/20/09/461392009.db2.gz MQESQTKLGUAKAU-PWRODBHTSA-N 1 3 340.511 3.446 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H](CN[C@H]3CO[C@@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713325 461392014 /nfs/dbraw/zinc/39/20/14/461392014.db2.gz MQESQTKLGUAKAU-PWRODBHTSA-N 1 3 340.511 3.446 10 0 EGAEHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1O ZINC000647344752 461647243 /nfs/dbraw/zinc/64/72/43/461647243.db2.gz YMPKJINWQNQZKE-LZQZEXGQSA-N 1 3 340.467 3.397 10 0 EGAEHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000663598549 461720842 /nfs/dbraw/zinc/72/08/42/461720842.db2.gz VBJYZVVKKATRQT-FQEVSTJZSA-N 1 3 343.515 3.106 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C[C@H]2CCCCO2)cc1 ZINC000656402404 461734167 /nfs/dbraw/zinc/73/41/67/461734167.db2.gz FYDOOAHZTSFSQQ-POHUPDAJSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C[C@H]2CCCCO2)cc1 ZINC000656402404 461734175 /nfs/dbraw/zinc/73/41/75/461734175.db2.gz FYDOOAHZTSFSQQ-POHUPDAJSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCCO2)cc1 ZINC000656402404 461734185 /nfs/dbraw/zinc/73/41/85/461734185.db2.gz FYDOOAHZTSFSQQ-POHUPDAJSA-N 1 3 340.511 3.398 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@H]2CCCCO2)cc1 ZINC000656402404 461734192 /nfs/dbraw/zinc/73/41/92/461734192.db2.gz FYDOOAHZTSFSQQ-POHUPDAJSA-N 1 3 340.511 3.398 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](NCCc2noc3ccccc23)[C@H](C)C1 ZINC000653619961 461765851 /nfs/dbraw/zinc/76/58/51/461765851.db2.gz JYGILSFFHTXCJA-AEFFLSMTSA-N 1 3 345.487 3.097 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](NCCc2noc3ccccc23)[C@H](C)C1 ZINC000653619961 461765857 /nfs/dbraw/zinc/76/58/57/461765857.db2.gz JYGILSFFHTXCJA-AEFFLSMTSA-N 1 3 345.487 3.097 10 0 EGAEHO COc1cc2c(c(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)O[C@@H](C)C2 ZINC000656785502 461895136 /nfs/dbraw/zinc/89/51/36/461895136.db2.gz KXKNDZXSGJXQRL-DOTOQJQBSA-N 1 3 344.499 3.230 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650757976 461938453 /nfs/dbraw/zinc/93/84/53/461938453.db2.gz FWLMNWFNOUBHKH-CQSZACIVSA-N 1 3 337.467 3.487 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000650758026 461938537 /nfs/dbraw/zinc/93/85/37/461938537.db2.gz HEPCKJJLBBQICD-KRWDZBQOSA-N 1 3 339.483 3.093 10 0 EGAEHO Cc1ccc2nccc(NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)c2c1 ZINC000664238110 461993035 /nfs/dbraw/zinc/99/30/35/461993035.db2.gz WFQMDBDQCBUYBO-IBGZPJMESA-N 1 3 347.462 3.144 10 0 EGAEHO Cc1ccc2nccc(NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)c2c1 ZINC000664238110 461993041 /nfs/dbraw/zinc/99/30/41/461993041.db2.gz WFQMDBDQCBUYBO-IBGZPJMESA-N 1 3 347.462 3.144 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1nc(-c2ccccc2)cs1 ZINC000657572877 462186705 /nfs/dbraw/zinc/18/67/05/462186705.db2.gz FDWUULJQZUFLPG-INIZCTEOSA-N 1 3 346.544 3.172 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc4[nH]ccc4c3)cc2)C1 ZINC000657594856 462196096 /nfs/dbraw/zinc/19/60/96/462196096.db2.gz DOWQKHWEDJKKRD-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4[nH]ccc4c3)cc2)C1 ZINC000657594856 462196099 /nfs/dbraw/zinc/19/60/99/462196099.db2.gz DOWQKHWEDJKKRD-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3coc4ccccc34)cc2)C1 ZINC000657594876 462196649 /nfs/dbraw/zinc/19/66/49/462196649.db2.gz DZOIUNRGINJSGJ-LJQANCHMSA-N 1 3 336.435 3.289 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3coc4ccccc34)cc2)C1 ZINC000657594876 462196655 /nfs/dbraw/zinc/19/66/55/462196655.db2.gz DZOIUNRGINJSGJ-LJQANCHMSA-N 1 3 336.435 3.289 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657594622 462197913 /nfs/dbraw/zinc/19/79/13/462197913.db2.gz CIBPFXZDLNPZAJ-ZLGUVYLKSA-N 1 3 328.500 3.335 10 0 EGAEHO Cc1c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cnn1C ZINC000657772380 462259897 /nfs/dbraw/zinc/25/98/97/462259897.db2.gz MKRLMMHWPKKZKD-HXUWFJFHSA-N 1 3 338.499 3.120 10 0 EGAEHO COC[C@@H](CC1CCOCC1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000657859956 462300767 /nfs/dbraw/zinc/30/07/67/462300767.db2.gz ZRIPLVNINHETTH-HXUWFJFHSA-N 1 3 338.536 3.062 10 0 EGAEHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000657859956 462300774 /nfs/dbraw/zinc/30/07/74/462300774.db2.gz ZRIPLVNINHETTH-HXUWFJFHSA-N 1 3 338.536 3.062 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C(C)(C)C(F)F ZINC000657872869 462304118 /nfs/dbraw/zinc/30/41/18/462304118.db2.gz JBLZRLISBPJCJQ-AWEZNQCLSA-N 1 3 340.458 3.413 10 0 EGAEHO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000651752580 462325736 /nfs/dbraw/zinc/32/57/36/462325736.db2.gz LQFBKLGQUVXRLS-ICSRJNTNSA-N 1 3 331.504 3.036 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000658057169 462362067 /nfs/dbraw/zinc/36/20/67/462362067.db2.gz NODVTNJUFBGGDQ-SJLPKXTDSA-N 1 3 333.520 3.150 10 0 EGAEHO Cc1nc([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)c(C)s1 ZINC000658066708 462364385 /nfs/dbraw/zinc/36/43/85/462364385.db2.gz DAUJHFYSVWBWSH-ZDUSSCGKSA-N 1 3 337.533 3.302 10 0 EGAEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccncc1Cl ZINC000658069500 462366728 /nfs/dbraw/zinc/36/67/28/462366728.db2.gz GBKUSDYUECULBQ-AWEZNQCLSA-N 1 3 337.895 3.277 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc2cnccc2o1 ZINC000658071075 462367689 /nfs/dbraw/zinc/36/76/89/462367689.db2.gz SSRVIIYGXYUFAO-OAHLLOKOSA-N 1 3 343.471 3.369 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000658093647 462379653 /nfs/dbraw/zinc/37/96/53/462379653.db2.gz CLORBDYNWJTILZ-VDGAXYAQSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000658093647 462379659 /nfs/dbraw/zinc/37/96/59/462379659.db2.gz CLORBDYNWJTILZ-VDGAXYAQSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000658093638 462379686 /nfs/dbraw/zinc/37/96/86/462379686.db2.gz CLORBDYNWJTILZ-FFZOFVMBSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000658093638 462379692 /nfs/dbraw/zinc/37/96/92/462379692.db2.gz CLORBDYNWJTILZ-FFZOFVMBSA-N 1 3 338.536 3.061 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000658136396 462400659 /nfs/dbraw/zinc/40/06/59/462400659.db2.gz HBSBNLUINTWGHP-JXFKEZNVSA-N 1 3 339.483 3.116 10 0 EGAEHO Cc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000658136396 462400665 /nfs/dbraw/zinc/40/06/65/462400665.db2.gz HBSBNLUINTWGHP-JXFKEZNVSA-N 1 3 339.483 3.116 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCO[C@@H]2CC2(F)F)CC1 ZINC000658169599 462418310 /nfs/dbraw/zinc/41/83/10/462418310.db2.gz HJMNJBOXIMAUOM-MAUKXSAKSA-N 1 3 338.442 3.096 10 0 EGAEHO CN(c1ccccc1CN1CC[C@]2(CC2(F)F)C1)C1CC[NH+](C)CC1 ZINC000652063710 462422571 /nfs/dbraw/zinc/42/25/71/462422571.db2.gz SQBTZSXBXXELIZ-IBGZPJMESA-N 1 3 349.469 3.448 10 0 EGAEHO CC[NH+]1CCC(CCN[C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183675667 528970433 /nfs/dbraw/zinc/97/04/33/528970433.db2.gz LPJWDMPYIWIQSJ-MRXNPFEDSA-N 1 3 348.487 3.011 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130483823 529143400 /nfs/dbraw/zinc/14/34/00/529143400.db2.gz HFNOPCVMNUXISO-LEWJYISDSA-N 1 3 329.532 3.330 10 0 EGAEHO CCCN1CCC([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000678774116 549558654 /nfs/dbraw/zinc/55/86/54/549558654.db2.gz DUHBKNDKEFTBJT-RBUKOAKNSA-N 1 3 337.458 3.174 10 0 EGAEHO CN1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000108428277 1293080189 /nfs/dbraw/zinc/08/01/89/1293080189.db2.gz BHMHAMNXDTVSKD-QGZVFWFLSA-N 1 3 325.456 3.092 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000872044533 1296694290 /nfs/dbraw/zinc/69/42/90/1296694290.db2.gz BZJNMNRUPMTYJG-BRSBDYLESA-N 1 3 326.525 3.059 10 0 EGAEHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)ccc1SC ZINC000925781180 1325299223 /nfs/dbraw/zinc/29/92/23/1325299223.db2.gz HNBWFHIBOIFVRZ-YPMHNXCESA-N 1 3 330.444 3.313 10 0 EGAEHO Cc1ccc(C2=NO[C@@H](C[NH2+][C@@H]3CCN(C)C(C)(C)C3)C2)cc1C ZINC000895501640 1309375897 /nfs/dbraw/zinc/37/58/97/1309375897.db2.gz INXJYOHNIXXDQO-QZTJIDSGSA-N 1 3 329.488 3.259 10 0 EGAEHO CN(C)Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C(F)(F)F ZINC000899671850 1317128560 /nfs/dbraw/zinc/12/85/60/1317128560.db2.gz FSBULIVUJOOZHL-LBPRGKRZSA-N 1 3 343.393 3.047 10 0 EGAEHO CN(C)Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1C(F)(F)F ZINC000899671850 1317128562 /nfs/dbraw/zinc/12/85/62/1317128562.db2.gz FSBULIVUJOOZHL-LBPRGKRZSA-N 1 3 343.393 3.047 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)C2)cc1 ZINC000921670523 1322376118 /nfs/dbraw/zinc/37/61/18/1322376118.db2.gz GNIWDMIWBBSLND-GXRSIYKFSA-N 1 3 342.527 3.346 10 0 EGAEHO O=c1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259234 1322489296 /nfs/dbraw/zinc/48/92/96/1322489296.db2.gz CHPZWWZIBOPEAQ-LJQANCHMSA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259234 1322489298 /nfs/dbraw/zinc/48/92/98/1322489298.db2.gz CHPZWWZIBOPEAQ-LJQANCHMSA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259234 1322489301 /nfs/dbraw/zinc/48/93/01/1322489301.db2.gz CHPZWWZIBOPEAQ-LJQANCHMSA-N 1 3 337.467 3.179 10 0 EGAEHO CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923370750 1322742139 /nfs/dbraw/zinc/74/21/39/1322742139.db2.gz QVQCMZZKVKKWEB-NUEKZKHPSA-N 1 3 342.405 3.146 10 0 EGAEHO CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923370750 1322742143 /nfs/dbraw/zinc/74/21/43/1322742143.db2.gz QVQCMZZKVKKWEB-NUEKZKHPSA-N 1 3 342.405 3.146 10 0 EGAEHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923380624 1322743214 /nfs/dbraw/zinc/74/32/14/1322743214.db2.gz AFUPGKJKQGGRPM-DSJMHWKBSA-N 1 3 328.378 3.028 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000924941572 1323222309 /nfs/dbraw/zinc/22/23/09/1323222309.db2.gz YJEYORUAJFPFQU-BAGYTPMASA-N 1 3 342.527 3.346 10 0 EGAEHO CN(C)C1(C)CC[NH+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000931356447 1329101006 /nfs/dbraw/zinc/10/10/06/1329101006.db2.gz XQZAQEOSZCQXOY-MRXNPFEDSA-N 1 3 339.524 3.050 10 0 EGAEHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1Cl ZINC000925619069 1325232862 /nfs/dbraw/zinc/23/28/62/1325232862.db2.gz KUTCKSYXAWNYLG-XSUJLISDSA-N 1 3 328.859 3.397 10 0 EGAEHO C[C@](O)(CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639195 1325242756 /nfs/dbraw/zinc/24/27/56/1325242756.db2.gz KDGMJJUITSFPNC-QRVBRYPASA-N 1 3 336.907 3.305 10 0 EGAEHO Cc1c([C@@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000925875400 1325338234 /nfs/dbraw/zinc/33/82/34/1325338234.db2.gz GNOVFBBOITXPTC-KYOSRNDESA-N 1 3 333.867 3.007 10 0 EGAEHO c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925880993 1325340483 /nfs/dbraw/zinc/34/04/83/1325340483.db2.gz PFGSRJUWJUTKQG-PWRODBHTSA-N 1 3 328.500 3.448 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001323637841 1387414109 /nfs/dbraw/zinc/41/41/09/1387414109.db2.gz NHPKTKUVBXHARB-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001323637841 1387414111 /nfs/dbraw/zinc/41/41/11/1387414111.db2.gz NHPKTKUVBXHARB-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001324466173 1387632014 /nfs/dbraw/zinc/63/20/14/1387632014.db2.gz CSNZIUMBIZNJQL-OALUTQOASA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001324935512 1387831654 /nfs/dbraw/zinc/83/16/54/1387831654.db2.gz FQIYGFIJLJPDMV-ICSRJNTNSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001324935512 1387831661 /nfs/dbraw/zinc/83/16/61/1387831661.db2.gz FQIYGFIJLJPDMV-ICSRJNTNSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265627599 1377155639 /nfs/dbraw/zinc/15/56/39/1377155639.db2.gz FFWWPPISVKQEAP-XJDXJNMNSA-N 1 3 349.563 3.293 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001265630941 1377156700 /nfs/dbraw/zinc/15/67/00/1377156700.db2.gz SUGMKMXXNUIEIE-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001265688058 1377159566 /nfs/dbraw/zinc/15/95/66/1377159566.db2.gz LQQVIZHGDHAKNG-GOSISDBHSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001327291903 1388486930 /nfs/dbraw/zinc/48/69/30/1388486930.db2.gz UZKFQVCSAYFLRE-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001327291903 1388486934 /nfs/dbraw/zinc/48/69/34/1388486934.db2.gz UZKFQVCSAYFLRE-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001267182215 1377428503 /nfs/dbraw/zinc/42/85/03/1377428503.db2.gz WYWAITFYGNSXNY-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001267182215 1377428505 /nfs/dbraw/zinc/42/85/05/1377428505.db2.gz WYWAITFYGNSXNY-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)CC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCC1 ZINC001267841141 1377473800 /nfs/dbraw/zinc/47/38/00/1377473800.db2.gz LLJZOPOQIOGMQT-UHFFFAOYSA-N 1 3 325.541 3.029 10 0 EGAEHO CCC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001268045272 1377483656 /nfs/dbraw/zinc/48/36/56/1377483656.db2.gz XHEWYOJHCHTBSN-AATRIKPKSA-N 1 3 347.547 3.142 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CCCCCF)C2)c1 ZINC001268236357 1377500233 /nfs/dbraw/zinc/50/02/33/1377500233.db2.gz GADWZBRDWCGTFV-IBGZPJMESA-N 1 3 349.494 3.082 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCCCCF)C2)c1 ZINC001268236357 1377500237 /nfs/dbraw/zinc/50/02/37/1377500237.db2.gz GADWZBRDWCGTFV-IBGZPJMESA-N 1 3 349.494 3.082 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001269447479 1377554260 /nfs/dbraw/zinc/55/42/60/1377554260.db2.gz CADIAEDFJDAHKJ-QTJNJRLBSA-N 1 3 343.515 3.059 10 0 EGAEHO CC[C@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001271575908 1377639092 /nfs/dbraw/zinc/63/90/92/1377639092.db2.gz KBYQCSXGKDESCH-DLBZAZTESA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001271591447 1377642477 /nfs/dbraw/zinc/64/24/77/1377642477.db2.gz KUJCQLOMFVQCBQ-PKOBYXMFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285860 1378215786 /nfs/dbraw/zinc/21/57/86/1378215786.db2.gz RGDWVKJQZSOIQF-IEBWSBKVSA-N 1 3 346.519 3.091 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285860 1378215796 /nfs/dbraw/zinc/21/57/96/1378215796.db2.gz RGDWVKJQZSOIQF-IEBWSBKVSA-N 1 3 346.519 3.091 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)CC(C)(C)C ZINC001277764518 1378248378 /nfs/dbraw/zinc/24/83/78/1378248378.db2.gz VQQJFSHFKXAHHC-DLBZAZTESA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001278911546 1378290545 /nfs/dbraw/zinc/29/05/45/1378290545.db2.gz CNAXYGVGGTZAQY-FQEVSTJZSA-N 1 3 345.531 3.230 10 0 EGAEHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001278911546 1378290548 /nfs/dbraw/zinc/29/05/48/1378290548.db2.gz CNAXYGVGGTZAQY-FQEVSTJZSA-N 1 3 345.531 3.230 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001280262908 1378337663 /nfs/dbraw/zinc/33/76/63/1378337663.db2.gz AJMXQHNJCVDNIH-UXHICEINSA-N 1 3 349.563 3.291 10 0 EGAEHO CN(CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001327529487 1388550518 /nfs/dbraw/zinc/55/05/18/1388550518.db2.gz IGVCQDKCAYVHMJ-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001327529487 1388550522 /nfs/dbraw/zinc/55/05/22/1388550522.db2.gz IGVCQDKCAYVHMJ-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H](NCC1(NC(=O)CC[NH+](C)C)CCCCC1)c1ccccc1F ZINC001282619439 1378518564 /nfs/dbraw/zinc/51/85/64/1378518564.db2.gz UQKGIIUWDFSXPJ-MRXNPFEDSA-N 1 3 349.494 3.247 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001283111078 1378735401 /nfs/dbraw/zinc/73/54/01/1378735401.db2.gz NGHGBLXNZAOWNT-BRSBDYLESA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001284614541 1380013763 /nfs/dbraw/zinc/01/37/63/1380013763.db2.gz SWTOAHYISOHZGT-INIZCTEOSA-N 1 3 339.568 3.418 10 0 EGAEHO C[C@@H](CCNC(=O)c1ccc(NC2=NCCC2)cc1)[NH+]1CCCCC1 ZINC001154078588 1380200726 /nfs/dbraw/zinc/20/07/26/1380200726.db2.gz OIZZSKNBASRAAV-INIZCTEOSA-N 1 3 342.487 3.285 10 0 EGAEHO CCN(CCCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3)CC(F)(F)F ZINC001308170158 1384105301 /nfs/dbraw/zinc/10/53/01/1384105301.db2.gz JAKPLGJPDGLNBM-CALCHBBNSA-N 1 3 347.469 3.069 10 0 EGAEHO CCN(CCCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)CC(F)(F)F ZINC001308170158 1384105303 /nfs/dbraw/zinc/10/53/03/1384105303.db2.gz JAKPLGJPDGLNBM-CALCHBBNSA-N 1 3 347.469 3.069 10 0 EGAEHO CCC(CC)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001328929555 1388904702 /nfs/dbraw/zinc/90/47/02/1388904702.db2.gz YXILFKPLJMBKFJ-ACBHZAAOSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001316624832 1384489977 /nfs/dbraw/zinc/48/99/77/1384489977.db2.gz OSXGSQMYLHITJZ-CADBVGFASA-N 1 3 337.552 3.027 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001317397882 1385114170 /nfs/dbraw/zinc/11/41/70/1385114170.db2.gz YIURVGFSEBZCQW-ZWKOTPCHSA-N 1 3 345.531 3.333 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317678651 1385385860 /nfs/dbraw/zinc/38/58/60/1385385860.db2.gz GSEYIAPXQMMHPX-GOSISDBHSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001317771463 1385463178 /nfs/dbraw/zinc/46/31/78/1385463178.db2.gz ZMHCTUGKRCEOAF-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001318214448 1385629998 /nfs/dbraw/zinc/62/99/98/1385629998.db2.gz FTYPOZKNMRBFNJ-GBESFXJTSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)(C)C ZINC001318214448 1385630002 /nfs/dbraw/zinc/63/00/02/1385630002.db2.gz FTYPOZKNMRBFNJ-GBESFXJTSA-N 1 3 349.563 3.361 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCN(Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001318276774 1385640526 /nfs/dbraw/zinc/64/05/26/1385640526.db2.gz SIIHHRFMNAPHDC-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H](C)c1ccccc1F ZINC001319224505 1386013646 /nfs/dbraw/zinc/01/36/46/1386013646.db2.gz IITDCAQVPFNYSS-JKSUJKDBSA-N 1 3 349.494 3.103 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccccc1F ZINC001319224504 1386014195 /nfs/dbraw/zinc/01/41/95/1386014195.db2.gz IITDCAQVPFNYSS-HZPDHXFCSA-N 1 3 349.494 3.103 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001319351757 1386074533 /nfs/dbraw/zinc/07/45/33/1386074533.db2.gz NMUDLHJYQNVSLN-QGZVFWFLSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)=CCN1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001319410212 1386108719 /nfs/dbraw/zinc/10/87/19/1386108719.db2.gz ADKBWUOOZJBFBW-UHFFFAOYSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001319683531 1386250420 /nfs/dbraw/zinc/25/04/20/1386250420.db2.gz PTOZDHLEYMCMMJ-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001319809421 1386308157 /nfs/dbraw/zinc/30/81/57/1386308157.db2.gz NHJMWNGPXDPFOX-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001320034241 1386465776 /nfs/dbraw/zinc/46/57/76/1386465776.db2.gz QNQMHAICBAPELQ-UHFFFAOYSA-N 1 3 345.531 3.014 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001698679290 1406326559 /nfs/dbraw/zinc/32/65/59/1406326559.db2.gz LHNZRBHVANIDEO-WOJBJXKFSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001698689613 1406334842 /nfs/dbraw/zinc/33/48/42/1406334842.db2.gz GGFCQAAAKSXESB-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C/C=C/c1ccccc1 ZINC001322845074 1387245717 /nfs/dbraw/zinc/24/57/17/1387245717.db2.gz WLPUGRAZHFGKMT-CWUFLNSKSA-N 1 3 343.515 3.012 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001698718987 1406363766 /nfs/dbraw/zinc/36/37/66/1406363766.db2.gz ZESITLTWTGWSFL-UHFFFAOYSA-N 1 3 345.531 3.457 10 0 EGAEHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001330528048 1389445456 /nfs/dbraw/zinc/44/54/56/1389445456.db2.gz FAZVODVIKZYEID-OYRHEFFESA-N 1 3 349.563 3.101 10 0 EGAEHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001330528048 1389445459 /nfs/dbraw/zinc/44/54/59/1389445459.db2.gz FAZVODVIKZYEID-OYRHEFFESA-N 1 3 349.563 3.101 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001698727214 1406378271 /nfs/dbraw/zinc/37/82/71/1406378271.db2.gz XGBNEZHTNZXIMO-GOSISDBHSA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001331576942 1389811160 /nfs/dbraw/zinc/81/11/60/1389811160.db2.gz YCRCPFQPLWEWGR-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113806 1389991310 /nfs/dbraw/zinc/99/13/10/1389991310.db2.gz UDLKKZXABQGOOR-GGPKGHCWSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113806 1389991312 /nfs/dbraw/zinc/99/13/12/1389991312.db2.gz UDLKKZXABQGOOR-GGPKGHCWSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339612 1390091387 /nfs/dbraw/zinc/09/13/87/1390091387.db2.gz GQVKJWQWDIRTRZ-RBUKOAKNSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386948 1390103083 /nfs/dbraw/zinc/10/30/83/1390103083.db2.gz IBNPTEDFYOWFHM-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CC3(CCC3)C2)C(C)(C)C)CCC1 ZINC001332810164 1390192581 /nfs/dbraw/zinc/19/25/81/1390192581.db2.gz ZPJOFHHEOCDFSE-KRWDZBQOSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001333417403 1390299318 /nfs/dbraw/zinc/29/93/18/1390299318.db2.gz OLLKSLZJEXYPNL-HXUWFJFHSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001333417403 1390299321 /nfs/dbraw/zinc/29/93/21/1390299321.db2.gz OLLKSLZJEXYPNL-HXUWFJFHSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC1CC1 ZINC001479592419 1392283544 /nfs/dbraw/zinc/28/35/44/1392283544.db2.gz BVQOFXQFKFINNJ-RLLQIKCJSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001698857068 1406564240 /nfs/dbraw/zinc/56/42/40/1406564240.db2.gz YRCUGCKHAKITAM-ZWKOTPCHSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCCc2ccccc21)N(C)C ZINC001479854168 1392434532 /nfs/dbraw/zinc/43/45/32/1392434532.db2.gz BXWSQBJSUGVZBB-VQTJNVASSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@@H+](CC)[C@@H]1CCCc2ccccc21)N(C)C ZINC001479854168 1392434536 /nfs/dbraw/zinc/43/45/36/1392434536.db2.gz BXWSQBJSUGVZBB-VQTJNVASSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001480332984 1392691885 /nfs/dbraw/zinc/69/18/85/1392691885.db2.gz VRPCKLNKGXZKRM-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001480332984 1392691887 /nfs/dbraw/zinc/69/18/87/1392691887.db2.gz VRPCKLNKGXZKRM-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001480332978 1392692139 /nfs/dbraw/zinc/69/21/39/1392692139.db2.gz VRPCKLNKGXZKRM-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCC1 ZINC001480332978 1392692144 /nfs/dbraw/zinc/69/21/44/1392692144.db2.gz VRPCKLNKGXZKRM-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)c1cccc(F)c1 ZINC001480996529 1393075721 /nfs/dbraw/zinc/07/57/21/1393075721.db2.gz ZZYPOFJRFPMAIO-JZXOWHBKSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)c1cccc(F)c1 ZINC001480996529 1393075725 /nfs/dbraw/zinc/07/57/25/1393075725.db2.gz ZZYPOFJRFPMAIO-JZXOWHBKSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001481071750 1393113442 /nfs/dbraw/zinc/11/34/42/1393113442.db2.gz RYXRBEGFXNDZJZ-FQEVSTJZSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001481071750 1393113443 /nfs/dbraw/zinc/11/34/43/1393113443.db2.gz RYXRBEGFXNDZJZ-FQEVSTJZSA-N 1 3 345.531 3.379 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1)N(C)C ZINC001481118844 1393124443 /nfs/dbraw/zinc/12/44/43/1393124443.db2.gz NEFQIEHCKBIRFP-YLJYHZDGSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1)N(C)C ZINC001481118844 1393124444 /nfs/dbraw/zinc/12/44/44/1393124444.db2.gz NEFQIEHCKBIRFP-YLJYHZDGSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001481337050 1393166573 /nfs/dbraw/zinc/16/65/73/1393166573.db2.gz ZDDXAKFIBOUZOD-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001698946995 1406686815 /nfs/dbraw/zinc/68/68/15/1406686815.db2.gz RCVDHHNAQJBLMQ-IBMJZYDUSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)N(CC)CC ZINC001481678674 1394444213 /nfs/dbraw/zinc/44/42/13/1394444213.db2.gz VVGPKGMRDHCWSM-SLFFLAALSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)N(CC)CC ZINC001481678674 1394444215 /nfs/dbraw/zinc/44/42/15/1394444215.db2.gz VVGPKGMRDHCWSM-SLFFLAALSA-N 1 3 349.563 3.362 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001481897124 1394584915 /nfs/dbraw/zinc/58/49/15/1394584915.db2.gz OWAMDROVUPWEBQ-KRWDZBQOSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481964092 1394625659 /nfs/dbraw/zinc/62/56/59/1394625659.db2.gz OGISXPBJOXRSTG-GHTZIAJQSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1)N(C)C ZINC001482017357 1394674560 /nfs/dbraw/zinc/67/45/60/1394674560.db2.gz YCGRZDGKDLOEOJ-FHWLQOOXSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)CC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC001482035704 1394696280 /nfs/dbraw/zinc/69/62/80/1394696280.db2.gz LAQGHKQXSVQGDI-QZTJIDSGSA-N 1 3 345.531 3.311 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007297 1395181556 /nfs/dbraw/zinc/18/15/56/1395181556.db2.gz BGCYYNCNLXHOFG-PMACEKPBSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001484170392 1395309081 /nfs/dbraw/zinc/30/90/81/1395309081.db2.gz PGFZQRBACAMEDX-ICSRJNTNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001484170392 1395309102 /nfs/dbraw/zinc/30/91/02/1395309102.db2.gz PGFZQRBACAMEDX-ICSRJNTNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc2C1 ZINC001484874551 1395576989 /nfs/dbraw/zinc/57/69/89/1395576989.db2.gz SYULPFVKYVZZQL-JXFKEZNVSA-N 1 3 345.531 3.251 10 0 EGAEHO CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc2C1 ZINC001484874551 1395576994 /nfs/dbraw/zinc/57/69/94/1395576994.db2.gz SYULPFVKYVZZQL-JXFKEZNVSA-N 1 3 345.531 3.251 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001485451614 1395919822 /nfs/dbraw/zinc/91/98/22/1395919822.db2.gz YKMPUHNUXDUONT-IBGZPJMESA-N 1 3 349.563 3.458 10 0 EGAEHO CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001485667399 1396096973 /nfs/dbraw/zinc/09/69/73/1396096973.db2.gz HSJKFRFENYJZAR-SESVDKBCSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001485667399 1396096976 /nfs/dbraw/zinc/09/69/76/1396096976.db2.gz HSJKFRFENYJZAR-SESVDKBCSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](CCCC3CCC3)C[C@]2(C)C1 ZINC001485669592 1396098447 /nfs/dbraw/zinc/09/84/47/1396098447.db2.gz GPIJVNTUSSQIHH-OYRHEFFESA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCCC3CCC3)C[C@]2(C)C1 ZINC001485669592 1396098453 /nfs/dbraw/zinc/09/84/53/1396098453.db2.gz GPIJVNTUSSQIHH-OYRHEFFESA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H](CCC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001485722485 1396117655 /nfs/dbraw/zinc/11/76/55/1396117655.db2.gz KWFSVVXOLASOCO-LXPRWKDFSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960202 1396174087 /nfs/dbraw/zinc/17/40/87/1396174087.db2.gz BKQLVNLDUPEHMD-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001486208231 1396182301 /nfs/dbraw/zinc/18/23/01/1396182301.db2.gz OPTXMQXILRATQH-SJORKVTESA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001494072308 1396351307 /nfs/dbraw/zinc/35/13/07/1396351307.db2.gz ASCFHSNTTODAMR-OALUTQOASA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001494072308 1396351308 /nfs/dbraw/zinc/35/13/08/1396351308.db2.gz ASCFHSNTTODAMR-OALUTQOASA-N 1 3 349.563 3.125 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494081742 1396356263 /nfs/dbraw/zinc/35/62/63/1396356263.db2.gz BZMLKLSSZYPCOO-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001494081742 1396356265 /nfs/dbraw/zinc/35/62/65/1396356265.db2.gz BZMLKLSSZYPCOO-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001496294261 1396636843 /nfs/dbraw/zinc/63/68/43/1396636843.db2.gz LKIHJEFGDJPWDF-DGEHHSODSA-N 1 3 343.943 3.122 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001496366162 1396670051 /nfs/dbraw/zinc/67/00/51/1396670051.db2.gz AJTIGFHFONVJOU-HKUYNNGSSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585871 1396771062 /nfs/dbraw/zinc/77/10/62/1396771062.db2.gz NOKSHUMYPOVXJX-YBHDSAFLSA-N 1 3 349.906 3.003 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585871 1396771069 /nfs/dbraw/zinc/77/10/69/1396771069.db2.gz NOKSHUMYPOVXJX-YBHDSAFLSA-N 1 3 349.906 3.003 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001497761990 1396831702 /nfs/dbraw/zinc/83/17/02/1396831702.db2.gz DOHRMYUHVCBUPD-CSHXORCISA-N 1 3 335.536 3.093 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001689146798 1396947757 /nfs/dbraw/zinc/94/77/57/1396947757.db2.gz NOIZVCMWXUNTLE-SXLOBPIMSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001689146798 1396947758 /nfs/dbraw/zinc/94/77/58/1396947758.db2.gz NOIZVCMWXUNTLE-SXLOBPIMSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CCCC(C)(C)C ZINC001689176808 1396960043 /nfs/dbraw/zinc/96/00/43/1396960043.db2.gz LUDYTWYKQZPKBL-KSZLIROESA-N 1 3 339.568 3.368 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CCCC(C)(C)C ZINC001689176808 1396960048 /nfs/dbraw/zinc/96/00/48/1396960048.db2.gz LUDYTWYKQZPKBL-KSZLIROESA-N 1 3 339.568 3.368 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1Cc1cccc(C)c1 ZINC001689186531 1396962940 /nfs/dbraw/zinc/96/29/40/1396962940.db2.gz OJQMILZZTDDLLE-XUVXKRRUSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1Cc1cccc(C)c1 ZINC001689186531 1396962942 /nfs/dbraw/zinc/96/29/42/1396962942.db2.gz OJQMILZZTDDLLE-XUVXKRRUSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H](F)CN1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365348 1403705100 /nfs/dbraw/zinc/70/51/00/1403705100.db2.gz DJWSSNISXSUQPT-IAGOWNOFSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001691402550 1405239988 /nfs/dbraw/zinc/23/99/88/1405239988.db2.gz NBWQABXWVJYYTG-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001691402550 1405239991 /nfs/dbraw/zinc/23/99/91/1405239991.db2.gz NBWQABXWVJYYTG-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001691429082 1405263133 /nfs/dbraw/zinc/26/31/33/1405263133.db2.gz UTYFDMKUKQFKQJ-MNFUMMEQSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001691429082 1405263138 /nfs/dbraw/zinc/26/31/38/1405263138.db2.gz UTYFDMKUKQFKQJ-MNFUMMEQSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691500976 1405306169 /nfs/dbraw/zinc/30/61/69/1405306169.db2.gz ARHYHBJPGXWBGT-BZSNNMDCSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001731416226 1427386039 /nfs/dbraw/zinc/38/60/39/1427386039.db2.gz KJCUOYALJFBPDJ-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001731416226 1427386044 /nfs/dbraw/zinc/38/60/44/1427386044.db2.gz KJCUOYALJFBPDJ-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001698581819 1406194395 /nfs/dbraw/zinc/19/43/95/1406194395.db2.gz OLBBRWGTAWMTCI-PXEQJPNCSA-N 1 3 335.536 3.138 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001698581819 1406194396 /nfs/dbraw/zinc/19/43/96/1406194396.db2.gz OLBBRWGTAWMTCI-PXEQJPNCSA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)=CCN[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732022469 1428239926 /nfs/dbraw/zinc/23/99/26/1428239926.db2.gz KGHZGUIAYODHSE-LJQANCHMSA-N 1 3 341.499 3.028 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001732060943 1428310176 /nfs/dbraw/zinc/31/01/76/1428310176.db2.gz JGRWZAVESFKLAY-WLMAVBAVSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001732060943 1428310180 /nfs/dbraw/zinc/31/01/80/1428310180.db2.gz JGRWZAVESFKLAY-WLMAVBAVSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001732082675 1428339387 /nfs/dbraw/zinc/33/93/87/1428339387.db2.gz DYUMAWYSEJCGCT-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCCC2)C1 ZINC001732082675 1428339391 /nfs/dbraw/zinc/33/93/91/1428339391.db2.gz DYUMAWYSEJCGCT-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001732224535 1428473119 /nfs/dbraw/zinc/47/31/19/1428473119.db2.gz TWNXRSKKEPXUBC-LJQANCHMSA-N 1 3 345.531 3.282 10 0 EGAEHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1=CCCCC1 ZINC001732372011 1428553055 /nfs/dbraw/zinc/55/30/55/1428553055.db2.gz KRLSAPCLWNSARN-QGZVFWFLSA-N 1 3 343.515 3.204 10 0 EGAEHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001732396097 1428563674 /nfs/dbraw/zinc/56/36/74/1428563674.db2.gz GRZORSWZCRGAOM-IRXDYDNUSA-N 1 3 341.515 3.016 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001732516224 1428635113 /nfs/dbraw/zinc/63/51/13/1428635113.db2.gz IPNCZDQDRKUAOX-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO CC1CCN(CC(=O)N(C)CCC[NH2+]CCC2CCCCC2)CC1 ZINC001699542792 1412914899 /nfs/dbraw/zinc/91/48/99/1412914899.db2.gz WERNURZICOSMSJ-UHFFFAOYSA-N 1 3 337.552 3.127 10 0 EGAEHO CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001699741983 1413152836 /nfs/dbraw/zinc/15/28/36/1413152836.db2.gz DOPMTYNQZCHAAT-VQIMIIECSA-N 1 3 331.504 3.131 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001699968611 1413407946 /nfs/dbraw/zinc/40/79/46/1413407946.db2.gz HANCQGRZGNKNBO-PXNSSMCTSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018400 1413465135 /nfs/dbraw/zinc/46/51/35/1413465135.db2.gz YLKRNDVGBNOXLQ-SJORKVTESA-N 1 3 346.519 3.189 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001700018400 1413465139 /nfs/dbraw/zinc/46/51/39/1413465139.db2.gz YLKRNDVGBNOXLQ-SJORKVTESA-N 1 3 346.519 3.189 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)CC1 ZINC001700183423 1413599072 /nfs/dbraw/zinc/59/90/72/1413599072.db2.gz DLDMIEGCKBMZCM-RVPHRTOXSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)CC1 ZINC001700183423 1413599074 /nfs/dbraw/zinc/59/90/74/1413599074.db2.gz DLDMIEGCKBMZCM-RVPHRTOXSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001700221250 1413667897 /nfs/dbraw/zinc/66/78/97/1413667897.db2.gz LCOFQHZFXGUFHP-UCFODXPJSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC1([NH2+]Cc2ccc(C)cc2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001700224397 1413675111 /nfs/dbraw/zinc/67/51/11/1413675111.db2.gz DNHJYBRERFSOAA-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001700623487 1414295077 /nfs/dbraw/zinc/29/50/77/1414295077.db2.gz ITDVWHBZJXCIIN-SESVDKBCSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001700623487 1414295080 /nfs/dbraw/zinc/29/50/80/1414295080.db2.gz ITDVWHBZJXCIIN-SESVDKBCSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001700769865 1414447602 /nfs/dbraw/zinc/44/76/02/1414447602.db2.gz FMHXXWCEXPWBQA-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CCC1 ZINC001700986718 1414628689 /nfs/dbraw/zinc/62/86/89/1414628689.db2.gz BUGMFXRDYCOCOA-KRWDZBQOSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001732604849 1428858262 /nfs/dbraw/zinc/85/82/62/1428858262.db2.gz GJFSFLROTDVUDY-JNVNVXKGSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001732604849 1428858276 /nfs/dbraw/zinc/85/82/76/1428858276.db2.gz GJFSFLROTDVUDY-JNVNVXKGSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1cc2ccccc2s1 ZINC001732754633 1428949641 /nfs/dbraw/zinc/94/96/41/1428949641.db2.gz OMLVMRKIACBZPN-OAHLLOKOSA-N 1 3 347.528 3.226 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001707113778 1417206517 /nfs/dbraw/zinc/20/65/17/1417206517.db2.gz BZOYBTUKGVPLFD-YSIASYRMSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001707119581 1417208947 /nfs/dbraw/zinc/20/89/47/1417208947.db2.gz KXQRBEQCNSVRQK-WZOJCFFYSA-N 1 3 337.552 3.029 10 0 EGAEHO C[C@H]1CCC[C@H](CC[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381527 1417303808 /nfs/dbraw/zinc/30/38/08/1417303808.db2.gz QHHCDEUOKQYSFL-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCC[C@H](CC[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381527 1417303811 /nfs/dbraw/zinc/30/38/11/1417303811.db2.gz QHHCDEUOKQYSFL-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001707410313 1417321609 /nfs/dbraw/zinc/32/16/09/1417321609.db2.gz UISFKWOSJCIHMV-GOSISDBHSA-N 1 3 347.547 3.472 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001707410313 1417321612 /nfs/dbraw/zinc/32/16/12/1417321612.db2.gz UISFKWOSJCIHMV-GOSISDBHSA-N 1 3 347.547 3.472 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001712985820 1417538229 /nfs/dbraw/zinc/53/82/29/1417538229.db2.gz JYSVJUXHHNCYAX-QGZVFWFLSA-N 1 3 342.487 3.077 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001712985820 1417538233 /nfs/dbraw/zinc/53/82/33/1417538233.db2.gz JYSVJUXHHNCYAX-QGZVFWFLSA-N 1 3 342.487 3.077 10 0 EGAEHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713143956 1417725930 /nfs/dbraw/zinc/72/59/30/1417725930.db2.gz QHRDPRBGLOODQD-VGIQHARFSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713240277 1417826121 /nfs/dbraw/zinc/82/61/21/1417826121.db2.gz GHGSIYRAOQJPHC-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382161 1417992461 /nfs/dbraw/zinc/99/24/61/1417992461.db2.gz OLRDUEHKXZOSBI-IAGOWNOFSA-N 1 3 325.541 3.170 10 0 EGAEHO CCCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCCN2CC)cc1 ZINC001713666847 1418422437 /nfs/dbraw/zinc/42/24/37/1418422437.db2.gz FTMSQHAOZUIDJE-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713738716 1418537659 /nfs/dbraw/zinc/53/76/59/1418537659.db2.gz KMAQCNRFVSZVGS-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713738716 1418537663 /nfs/dbraw/zinc/53/76/63/1418537663.db2.gz KMAQCNRFVSZVGS-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897312 1418695809 /nfs/dbraw/zinc/69/58/09/1418695809.db2.gz QHWCLJMTDYLVET-IBGZPJMESA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713897312 1418695811 /nfs/dbraw/zinc/69/58/11/1418695811.db2.gz QHWCLJMTDYLVET-IBGZPJMESA-N 1 3 337.552 3.079 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978118 1418759281 /nfs/dbraw/zinc/75/92/81/1418759281.db2.gz MBYVPZSXYQLXHN-RTBURBONSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978118 1418759295 /nfs/dbraw/zinc/75/92/95/1418759295.db2.gz MBYVPZSXYQLXHN-RTBURBONSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240388 1419029172 /nfs/dbraw/zinc/02/91/72/1419029172.db2.gz KQQWSHVHFNJIJJ-FXAWDEMLSA-N 1 3 345.531 3.279 10 0 EGAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001714323554 1419101992 /nfs/dbraw/zinc/10/19/92/1419101992.db2.gz LVCJXVYQBWYVFJ-HXFPZHSYSA-N 1 3 349.906 3.018 10 0 EGAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001714323554 1419101994 /nfs/dbraw/zinc/10/19/94/1419101994.db2.gz LVCJXVYQBWYVFJ-HXFPZHSYSA-N 1 3 349.906 3.018 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001714390158 1419139114 /nfs/dbraw/zinc/13/91/14/1419139114.db2.gz BYPOMYSYUWPCKF-PKOBYXMFSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418378 1419155429 /nfs/dbraw/zinc/15/54/29/1419155429.db2.gz YYTYDOVHZIBEPY-OALUTQOASA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001714806753 1419519248 /nfs/dbraw/zinc/51/92/48/1419519248.db2.gz LKPYVSRKTROZSZ-FUTAKVPZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1)N(C)C ZINC001714849279 1419561146 /nfs/dbraw/zinc/56/11/46/1419561146.db2.gz VKUJCUULIDPJDR-ZWKOTPCHSA-N 1 3 333.520 3.210 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccccc1F ZINC001715076645 1419811330 /nfs/dbraw/zinc/81/13/30/1419811330.db2.gz VZWMGFLLTUIXSC-FUHWJXTLSA-N 1 3 349.494 3.075 10 0 EGAEHO CC(C)CC[NH+]1CCC(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001715204841 1419938907 /nfs/dbraw/zinc/93/89/07/1419938907.db2.gz JOHDITRXUUEYDQ-UHFFFAOYSA-N 1 3 339.568 3.229 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445563 1420129878 /nfs/dbraw/zinc/12/98/78/1420129878.db2.gz JNZGIUQQFBGZRZ-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445564 1420130124 /nfs/dbraw/zinc/13/01/24/1420130124.db2.gz JNZGIUQQFBGZRZ-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO CC/C=C/CC[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001715484057 1420164067 /nfs/dbraw/zinc/16/40/67/1420164067.db2.gz YDYVYDBAVAPXLI-VOTSOKGWSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001715484057 1420164068 /nfs/dbraw/zinc/16/40/68/1420164068.db2.gz YDYVYDBAVAPXLI-VOTSOKGWSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001715708742 1420304434 /nfs/dbraw/zinc/30/44/34/1420304434.db2.gz PLXSCWSZEOKFMH-INIZCTEOSA-N 1 3 331.504 3.036 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001716051761 1420515736 /nfs/dbraw/zinc/51/57/36/1420515736.db2.gz RGHNHDFGAVNMRP-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001716051761 1420515739 /nfs/dbraw/zinc/51/57/39/1420515739.db2.gz RGHNHDFGAVNMRP-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001716344137 1420611671 /nfs/dbraw/zinc/61/16/71/1420611671.db2.gz QHGMBGJRGXHCOA-GMMSVRSPSA-N 1 3 337.895 3.003 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001716414523 1420644033 /nfs/dbraw/zinc/64/40/33/1420644033.db2.gz IBQZYGBCBBDPPQ-IEBWSBKVSA-N 1 3 349.563 3.314 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001716787249 1420922545 /nfs/dbraw/zinc/92/25/45/1420922545.db2.gz RXCPCRXSISPTOD-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848294 1420976165 /nfs/dbraw/zinc/97/61/65/1420976165.db2.gz ARTMQDUHDTZQDI-WIYYLYMNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848294 1420976169 /nfs/dbraw/zinc/97/61/69/1420976169.db2.gz ARTMQDUHDTZQDI-WIYYLYMNSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975954 1421059300 /nfs/dbraw/zinc/05/93/00/1421059300.db2.gz VIBOUUZKQIHURD-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001716999003 1421068587 /nfs/dbraw/zinc/06/85/87/1421068587.db2.gz NRTYAMBIGUBUTM-BCDXTJNWSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001716999003 1421068590 /nfs/dbraw/zinc/06/85/90/1421068590.db2.gz NRTYAMBIGUBUTM-BCDXTJNWSA-N 1 3 335.536 3.020 10 0 EGAEHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001716999390 1421069032 /nfs/dbraw/zinc/06/90/32/1421069032.db2.gz CDHFHFKMSMOVGQ-WPNHUXKJSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001716999390 1421069036 /nfs/dbraw/zinc/06/90/36/1421069036.db2.gz CDHFHFKMSMOVGQ-WPNHUXKJSA-N 1 3 347.547 3.044 10 0 EGAEHO CN(CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1)CC(C)(C)C ZINC001717157537 1421146715 /nfs/dbraw/zinc/14/67/15/1421146715.db2.gz PCOYJQOXMVVHPU-FGTMMUONSA-N 1 3 349.563 3.029 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001717202153 1421170324 /nfs/dbraw/zinc/17/03/24/1421170324.db2.gz NNIBBKICCARLPK-CTWPCTMYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001717202153 1421170325 /nfs/dbraw/zinc/17/03/25/1421170325.db2.gz NNIBBKICCARLPK-CTWPCTMYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC/C=C\CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001717354597 1421288733 /nfs/dbraw/zinc/28/87/33/1421288733.db2.gz HFJZLWDAJOODMY-WHXUGTBJSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001717354597 1421288735 /nfs/dbraw/zinc/28/87/35/1421288735.db2.gz HFJZLWDAJOODMY-WHXUGTBJSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717640800 1421546275 /nfs/dbraw/zinc/54/62/75/1421546275.db2.gz KWEFFLDEZNLOHI-QAQDUYKDSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001717950470 1421719472 /nfs/dbraw/zinc/71/94/72/1421719472.db2.gz UTWAZBDHLOPNIU-MOPGFXCFSA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001717950470 1421719474 /nfs/dbraw/zinc/71/94/74/1421719474.db2.gz UTWAZBDHLOPNIU-MOPGFXCFSA-N 1 3 335.536 3.138 10 0 EGAEHO CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001717964884 1421736631 /nfs/dbraw/zinc/73/66/31/1421736631.db2.gz GHLHOLQUWIATMR-MSOLQXFVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001733416268 1429620614 /nfs/dbraw/zinc/62/06/14/1429620614.db2.gz JBORYOIMKKTWSV-NRFANRHFSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001733416268 1429620619 /nfs/dbraw/zinc/62/06/19/1429620619.db2.gz JBORYOIMKKTWSV-NRFANRHFSA-N 1 3 345.531 3.379 10 0 EGAEHO CC1CCC(C[NH2+]C[C@@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001733427174 1429634392 /nfs/dbraw/zinc/63/43/92/1429634392.db2.gz NLEZNBJCIIICDG-AFMYVXGZSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001733451112 1429662992 /nfs/dbraw/zinc/66/29/92/1429662992.db2.gz GNDJZGQMUFLMQA-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720794 1424545642 /nfs/dbraw/zinc/54/56/42/1424545642.db2.gz DYONNEJOGQIZSC-GIWCCYDRSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720794 1424545649 /nfs/dbraw/zinc/54/56/49/1424545649.db2.gz DYONNEJOGQIZSC-GIWCCYDRSA-N 1 3 349.563 3.245 10 0 EGAEHO C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001724532028 1424896309 /nfs/dbraw/zinc/89/63/09/1424896309.db2.gz MYBDZYLLXOPAKK-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001724660015 1425038918 /nfs/dbraw/zinc/03/89/18/1425038918.db2.gz WIWSGTWSRJMSBE-XUVXKRRUSA-N 1 3 349.563 3.220 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001724660015 1425038930 /nfs/dbraw/zinc/03/89/30/1425038930.db2.gz WIWSGTWSRJMSBE-XUVXKRRUSA-N 1 3 349.563 3.220 10 0 EGAEHO CC[NH2+]CCN(Cc1ccccc1)C(=O)c1cccc(CN(C)C)c1 ZINC001733573321 1429776513 /nfs/dbraw/zinc/77/65/13/1429776513.db2.gz XXDOGVDWXYEWMI-UHFFFAOYSA-N 1 3 339.483 3.000 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749465 1425119015 /nfs/dbraw/zinc/11/90/15/1425119015.db2.gz MYAMDJHMCTVQPF-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001724800582 1425169402 /nfs/dbraw/zinc/16/94/02/1425169402.db2.gz NXTROSVVPDITHE-IRXDYDNUSA-N 1 3 335.536 3.068 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060245 1425500486 /nfs/dbraw/zinc/50/04/86/1425500486.db2.gz SNYPIHMSULSKCJ-OALUTQOASA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060245 1425500490 /nfs/dbraw/zinc/50/04/90/1425500490.db2.gz SNYPIHMSULSKCJ-OALUTQOASA-N 1 3 345.531 3.319 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725135249 1425608701 /nfs/dbraw/zinc/60/87/01/1425608701.db2.gz QBAKUUPWATXXQI-IUQNVBDQSA-N 1 3 343.515 3.057 10 0 EGAEHO CN(CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C)CC(C)(C)C ZINC001725150850 1425635781 /nfs/dbraw/zinc/63/57/81/1425635781.db2.gz RELKGMHNUVZXJB-UHFFFAOYSA-N 1 3 341.584 3.475 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167160 1425672473 /nfs/dbraw/zinc/67/24/73/1425672473.db2.gz USNUNTNUPHTKIO-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167160 1425672476 /nfs/dbraw/zinc/67/24/76/1425672476.db2.gz USNUNTNUPHTKIO-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001725178296 1425698862 /nfs/dbraw/zinc/69/88/62/1425698862.db2.gz RFAPNJLGKNWADO-QFBILLFUSA-N 1 3 347.547 3.261 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001725178296 1425698865 /nfs/dbraw/zinc/69/88/65/1425698865.db2.gz RFAPNJLGKNWADO-QFBILLFUSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCC2)CCCCC1 ZINC001725223832 1425792659 /nfs/dbraw/zinc/79/26/59/1425792659.db2.gz NOXCSNFIDBEZHH-GOSISDBHSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001725437849 1426098997 /nfs/dbraw/zinc/09/89/97/1426098997.db2.gz DPCPJICRAWDTFP-UXHICEINSA-N 1 3 345.531 3.495 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001725622652 1426287799 /nfs/dbraw/zinc/28/77/99/1426287799.db2.gz HVYUAEIKHNETNI-MSOLQXFVSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731504871 1427488963 /nfs/dbraw/zinc/48/89/63/1427488963.db2.gz XYQLJKPMIBPQKO-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731504871 1427488964 /nfs/dbraw/zinc/48/89/64/1427488964.db2.gz XYQLJKPMIBPQKO-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1cc(CN2CCC[C@H]2CNC(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001731829780 1428038159 /nfs/dbraw/zinc/03/81/59/1428038159.db2.gz SIFDWUMWCISIQZ-ROUUACIJSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CCC[C@H]2CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001731829780 1428038164 /nfs/dbraw/zinc/03/81/64/1428038164.db2.gz SIFDWUMWCISIQZ-ROUUACIJSA-N 1 3 349.544 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001731859430 1428097937 /nfs/dbraw/zinc/09/79/37/1428097937.db2.gz DZTCUWNJNFZHOJ-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001731859430 1428097944 /nfs/dbraw/zinc/09/79/44/1428097944.db2.gz DZTCUWNJNFZHOJ-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CCC1([NH2+]Cc2cccc(F)c2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733809619 1430084708 /nfs/dbraw/zinc/08/47/08/1430084708.db2.gz PFSNTLQAMYZPJM-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009085 1437800915 /nfs/dbraw/zinc/80/09/15/1437800915.db2.gz QMQRVPFAPCZAEN-CVEARBPZSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001734215168 1437945807 /nfs/dbraw/zinc/94/58/07/1437945807.db2.gz NFPMYMPXGJDWNU-UFYCRDLUSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CCC1 ZINC001734286531 1438014939 /nfs/dbraw/zinc/01/49/39/1438014939.db2.gz QSLHCFWNEFHWKV-GOSISDBHSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)cc1 ZINC001734355183 1438072592 /nfs/dbraw/zinc/07/25/92/1438072592.db2.gz BHKNYIDZMAPPNH-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)cc1 ZINC001734355182 1438072626 /nfs/dbraw/zinc/07/26/26/1438072626.db2.gz BHKNYIDZMAPPNH-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001734441281 1438103514 /nfs/dbraw/zinc/10/35/14/1438103514.db2.gz CKMULXSZKNZUMM-DFQSSKMNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001734626058 1438190936 /nfs/dbraw/zinc/19/09/36/1438190936.db2.gz OOBCWRXBWRWJMI-IBGZPJMESA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001734626058 1438190937 /nfs/dbraw/zinc/19/09/37/1438190937.db2.gz OOBCWRXBWRWJMI-IBGZPJMESA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001750943943 1440117449 /nfs/dbraw/zinc/11/74/49/1440117449.db2.gz IQMDUCJYHXFOKR-ZWKOTPCHSA-N 1 3 337.552 3.146 10 0 EGAEHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001750943943 1440117450 /nfs/dbraw/zinc/11/74/50/1440117450.db2.gz IQMDUCJYHXFOKR-ZWKOTPCHSA-N 1 3 337.552 3.146 10 0 EGAEHO C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178560246 232259131 /nfs/dbraw/zinc/25/91/31/232259131.db2.gz IGJWGOIUNZDADO-OAHLLOKOSA-N 1 3 346.446 3.109 10 0 EGAEHO CC[C@H]1CCC[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714566 169067008 /nfs/dbraw/zinc/06/70/08/169067008.db2.gz ICHPNJHQCZPVFR-JFROBXPVSA-N 1 3 333.564 3.446 10 0 EGAEHO CC[C@H]1CCC[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000377714566 169067009 /nfs/dbraw/zinc/06/70/09/169067009.db2.gz ICHPNJHQCZPVFR-JFROBXPVSA-N 1 3 333.564 3.446 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccsc1 ZINC000262088627 284820793 /nfs/dbraw/zinc/82/07/93/284820793.db2.gz CFFXQRBBPZKHHY-LAVFITLUSA-N 1 3 349.544 3.168 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764288 252214624 /nfs/dbraw/zinc/21/46/24/252214624.db2.gz ITZFULSWKYMDNP-JKSUJKDBSA-N 1 3 332.492 3.209 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000246921012 141043810 /nfs/dbraw/zinc/04/38/10/141043810.db2.gz GSWKFFZBYFURQP-ZBFHGGJFSA-N 1 3 330.451 3.312 10 0 EGAEHO C[C@@H](NCCOCCOc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923766 141217480 /nfs/dbraw/zinc/21/74/80/141217480.db2.gz DOKPAUVUJPRSRF-MOPGFXCFSA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@@H](NCCOCCOc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923766 141217481 /nfs/dbraw/zinc/21/74/81/141217481.db2.gz DOKPAUVUJPRSRF-MOPGFXCFSA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@@H]([NH2+]CCOCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000347923766 141217482 /nfs/dbraw/zinc/21/74/82/141217482.db2.gz DOKPAUVUJPRSRF-MOPGFXCFSA-N 1 3 346.515 3.325 10 0 EGAEHO CCO[C@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222599 144127753 /nfs/dbraw/zinc/12/77/53/144127753.db2.gz LBUSXWKGMCUJEJ-OALUTQOASA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222599 144127755 /nfs/dbraw/zinc/12/77/55/144127755.db2.gz LBUSXWKGMCUJEJ-OALUTQOASA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)C12CCOCC2 ZINC000186222599 144127757 /nfs/dbraw/zinc/12/77/57/144127757.db2.gz LBUSXWKGMCUJEJ-OALUTQOASA-N 1 3 338.536 3.205 10 0 EGAEHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000120479576 152279735 /nfs/dbraw/zinc/27/97/35/152279735.db2.gz XGNVMBZDUJNKRN-OAHLLOKOSA-N 1 3 332.536 3.355 10 0 EGAEHO Cc1nn(C)c(C)c1C[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000120479576 152279740 /nfs/dbraw/zinc/27/97/40/152279740.db2.gz XGNVMBZDUJNKRN-OAHLLOKOSA-N 1 3 332.536 3.355 10 0 EGAEHO CN(C)Cc1cccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000194801925 153359196 /nfs/dbraw/zinc/35/91/96/153359196.db2.gz IFZLWXVRFWJOJK-UHFFFAOYSA-N 1 3 344.503 3.088 10 0 EGAEHO CN(CCN1CC[C@@H](C[NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000248580664 163017256 /nfs/dbraw/zinc/01/72/56/163017256.db2.gz VTJNQKPEGKMEIC-IBGZPJMESA-N 1 3 333.495 3.065 10 0 EGAEHO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(CC)CC ZINC000345806608 164269870 /nfs/dbraw/zinc/26/98/70/164269870.db2.gz ZNNSASZETVCPLH-HXUWFJFHSA-N 1 3 345.531 3.409 10 0 EGAEHO C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504302 275641396 /nfs/dbraw/zinc/64/13/96/275641396.db2.gz SDXVCEBXAMUBOW-DNVCBOLYSA-N 1 3 342.487 3.089 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353456980 277169481 /nfs/dbraw/zinc/16/94/81/277169481.db2.gz XOVRBXDNPYNCBT-ACRUOGEOSA-N 1 3 327.516 3.113 10 0 EGAEHO CC(C)[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000181987933 280325497 /nfs/dbraw/zinc/32/54/97/280325497.db2.gz ZFUZKBWFFQLROQ-SFHVURJKSA-N 1 3 326.431 3.098 10 0 EGAEHO C[C@@H]1CC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000397625314 308904600 /nfs/dbraw/zinc/90/46/00/308904600.db2.gz XSNTZMOWQMFNIZ-ROUUACIJSA-N 1 3 330.516 3.428 10 0 EGAEHO COc1cc(C[NH2+][C@H]2CCNC[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414943868 309110562 /nfs/dbraw/zinc/11/05/62/309110562.db2.gz OMAITMRQSKWKJV-KXBFYZLASA-N 1 3 340.467 3.458 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952145 309111137 /nfs/dbraw/zinc/11/11/37/309111137.db2.gz QNZLDPZFTZFASL-JTNHKYCSSA-N 1 3 329.257 3.249 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414952145 309111138 /nfs/dbraw/zinc/11/11/38/309111138.db2.gz QNZLDPZFTZFASL-JTNHKYCSSA-N 1 3 329.257 3.249 10 0 EGAEHO Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000415071988 309118390 /nfs/dbraw/zinc/11/83/90/309118390.db2.gz UZRSKKDOYOCVPS-OAHLLOKOSA-N 1 3 339.886 3.175 10 0 EGAEHO Fc1cccc(Cl)c1CN1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000415071988 309118391 /nfs/dbraw/zinc/11/83/91/309118391.db2.gz UZRSKKDOYOCVPS-OAHLLOKOSA-N 1 3 339.886 3.175 10 0 EGAEHO CNCc1ccccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000415898132 309146777 /nfs/dbraw/zinc/14/67/77/309146777.db2.gz HEUJJJNPXYMDBB-LJQANCHMSA-N 1 3 346.519 3.284 10 0 EGAEHO COc1ccc([C@H](CN)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000420405436 309286747 /nfs/dbraw/zinc/28/67/47/309286747.db2.gz MVXFZVUSFSFVHP-QKNQBKEWSA-N 1 3 340.467 3.105 10 0 EGAEHO COC[C@H](CCC[NH3+])NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858139 309372452 /nfs/dbraw/zinc/37/24/52/309372452.db2.gz INFYFNBKSCQSNL-ZDUSSCGKSA-N 1 3 345.468 3.400 10 0 EGAEHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866355 309372692 /nfs/dbraw/zinc/37/26/92/309372692.db2.gz QGFZBZJQSGZPCZ-JBBXEZCESA-N 1 3 329.394 3.278 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCOCC1 ZINC000422901265 309375123 /nfs/dbraw/zinc/37/51/23/309375123.db2.gz RTZKWCBDAQQVEI-HKUYNNGSSA-N 1 3 346.515 3.030 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(Br)c1 ZINC000422932417 309376847 /nfs/dbraw/zinc/37/68/47/309376847.db2.gz FROVZZXIKGTUMK-LLVKDONJSA-N 1 3 334.261 3.462 10 0 EGAEHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092672 309385517 /nfs/dbraw/zinc/38/55/17/309385517.db2.gz CXVXOWZRRIMWBP-PPQZLUMUSA-N 1 3 326.843 3.009 10 0 EGAEHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cccc(C(F)(F)F)n1 ZINC000423127371 309387309 /nfs/dbraw/zinc/38/73/09/309387309.db2.gz BYOQJFJMRXPQOY-XJKSGUPXSA-N 1 3 337.389 3.191 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423134298 309387596 /nfs/dbraw/zinc/38/75/96/309387596.db2.gz LTXNZGYRBHDTBA-RBSFLKMASA-N 1 3 327.394 3.153 10 0 EGAEHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-n2cccn2)cc1 ZINC000423179857 309389385 /nfs/dbraw/zinc/38/93/85/309389385.db2.gz AKCANUHNSIJQOG-QGZVFWFLSA-N 1 3 335.455 3.098 10 0 EGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423276930 309393473 /nfs/dbraw/zinc/39/34/73/309393473.db2.gz NPQDGOPZYPZXQW-FCMAGTKHSA-N 1 3 327.516 3.289 10 0 EGAEHO C[C@@H]1CC[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400347 309398702 /nfs/dbraw/zinc/39/87/02/309398702.db2.gz VBJDDRMOGVXLAW-XBFCOCLRSA-N 1 3 347.450 3.112 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC(=O)OC(C)(C)C)CC1 ZINC000449165070 310041583 /nfs/dbraw/zinc/04/15/83/310041583.db2.gz SUGOIRRWKXSKIW-QGZVFWFLSA-N 1 3 346.515 3.403 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000449184819 310042938 /nfs/dbraw/zinc/04/29/38/310042938.db2.gz IJGSJUMHRXJBOS-LQWHRVPQSA-N 1 3 341.543 3.297 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000449560267 310072239 /nfs/dbraw/zinc/07/22/39/310072239.db2.gz ITEPSBSHZHRDIM-IRFPFTSISA-N 1 3 341.543 3.297 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccccc1Cl ZINC000514097872 312225101 /nfs/dbraw/zinc/22/51/01/312225101.db2.gz BXEVWUZBRLRTNG-WZGPROSRSA-N 1 3 335.923 3.405 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCN4CCCC[C@H]34)CC23CC3)cc1 ZINC000514602633 312233874 /nfs/dbraw/zinc/23/38/74/312233874.db2.gz IANQUPNKARATHT-PCCBWWKXSA-N 1 3 339.527 3.400 10 0 EGAEHO Cc1ccc(NC(=O)C2(CN[C@H]3CCC[C@H]3[NH3+])CCCC2)cc1C ZINC000516642934 312334823 /nfs/dbraw/zinc/33/48/23/312334823.db2.gz FJLQQFMIWMJZQR-MSOLQXFVSA-N 1 3 329.488 3.272 10 0 EGAEHO CN1CCN(CCCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540263288 314372533 /nfs/dbraw/zinc/37/25/33/314372533.db2.gz QOOOOBNOCXYMKV-LJQANCHMSA-N 1 3 335.923 3.408 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000565719487 316360912 /nfs/dbraw/zinc/36/09/12/316360912.db2.gz XPUPMFVQEIOEGR-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000565719487 316360915 /nfs/dbraw/zinc/36/09/15/316360915.db2.gz XPUPMFVQEIOEGR-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO NC[C@@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000570281875 317033482 /nfs/dbraw/zinc/03/34/82/317033482.db2.gz PAPWJADKAMHISA-AZUAARDMSA-N 1 3 343.515 3.149 10 0 EGAEHO CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)C1CC1 ZINC000623496019 460581432 /nfs/dbraw/zinc/58/14/32/460581432.db2.gz DXJFUIDQBKMLJN-WOJBJXKFSA-N 1 3 329.532 3.359 10 0 EGAEHO CN1CCC(N2CCC([NH2+][C@H]3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000130942702 454226975 /nfs/dbraw/zinc/22/69/75/454226975.db2.gz GTNXWZYYLHVYLC-FPOVZHCZSA-N 1 3 341.543 3.471 10 0 EGAEHO CN1CCC(N2CCC([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000130942926 454227449 /nfs/dbraw/zinc/22/74/49/454227449.db2.gz GTNXWZYYLHVYLC-TZIWHRDSSA-N 1 3 341.543 3.471 10 0 EGAEHO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1OC ZINC000133118593 454393941 /nfs/dbraw/zinc/39/39/41/454393941.db2.gz JYGRVNVLFSSYJB-VQIMIIECSA-N 1 3 332.488 3.237 10 0 EGAEHO C[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)Cc1ccccc1 ZINC000133603700 454444466 /nfs/dbraw/zinc/44/44/66/454444466.db2.gz YYTCJTYRSUNDNQ-GOSISDBHSA-N 1 3 329.532 3.013 10 0 EGAEHO CCC[C@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000162370647 454771041 /nfs/dbraw/zinc/77/10/41/454771041.db2.gz OVSKHBACKXAWAN-WOJBJXKFSA-N 1 3 345.531 3.087 10 0 EGAEHO CCC[C@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000162370647 454771044 /nfs/dbraw/zinc/77/10/44/454771044.db2.gz OVSKHBACKXAWAN-WOJBJXKFSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000125796259 454848089 /nfs/dbraw/zinc/84/80/89/454848089.db2.gz HONZRWZYMGTZSC-OAQYLSRUSA-N 1 3 343.559 3.404 10 0 EGAEHO Cn1cc([C@@H]2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000128479933 455059943 /nfs/dbraw/zinc/05/99/43/455059943.db2.gz YIEWUHCNDPJWCK-LJQANCHMSA-N 1 3 340.515 3.368 10 0 EGAEHO Cn1cc([C@@H]2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000128479933 455059947 /nfs/dbraw/zinc/05/99/47/455059947.db2.gz YIEWUHCNDPJWCK-LJQANCHMSA-N 1 3 340.515 3.368 10 0 EGAEHO C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C1CC1 ZINC000245671709 455352639 /nfs/dbraw/zinc/35/26/39/455352639.db2.gz HLABVCPMWARIRF-FRTACKCFSA-N 1 3 327.516 3.254 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@](C)(O)c1cccs1 ZINC000269052873 455777073 /nfs/dbraw/zinc/77/70/73/455777073.db2.gz RNXKPUALALHIOC-IMFGXOCKSA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@](C)(O)c1cccs1 ZINC000269052873 455777076 /nfs/dbraw/zinc/77/70/76/455777076.db2.gz RNXKPUALALHIOC-IMFGXOCKSA-N 1 3 344.524 3.456 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000352821877 456336485 /nfs/dbraw/zinc/33/64/85/456336485.db2.gz BLEOZKOURKHEAG-QFBILLFUSA-N 1 3 343.515 3.060 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H]2CCC[C@@H]21 ZINC000340424188 456452631 /nfs/dbraw/zinc/45/26/31/456452631.db2.gz BVVSUAQOIOSWML-ILXRZTDVSA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@H]2CCC[C@@H]21 ZINC000340424188 456452639 /nfs/dbraw/zinc/45/26/39/456452639.db2.gz BVVSUAQOIOSWML-ILXRZTDVSA-N 1 3 327.394 3.105 10 0 EGAEHO CSC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCN(C)CC1 ZINC000353194230 456550260 /nfs/dbraw/zinc/55/02/60/456550260.db2.gz OZQOGPHKUCSVTP-UHFFFAOYSA-N 1 3 348.541 3.122 10 0 EGAEHO CSC1(CNCc2cnc(-c3ccncc3)s2)CC[NH+](C)CC1 ZINC000353194230 456550269 /nfs/dbraw/zinc/55/02/69/456550269.db2.gz OZQOGPHKUCSVTP-UHFFFAOYSA-N 1 3 348.541 3.122 10 0 EGAEHO Brc1ccccc1C[C@H]([NH2+]CC12CC(C1)CN2)C1CC1 ZINC000665279630 462382473 /nfs/dbraw/zinc/38/24/73/462382473.db2.gz HUYRTWGSUCGCOJ-PDOTXMHQSA-N 1 3 335.289 3.112 10 0 EGAEHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337984126 456638143 /nfs/dbraw/zinc/63/81/43/456638143.db2.gz ATENYSAMIGOVAU-RTWAWAEBSA-N 1 3 328.500 3.312 10 0 EGAEHO CN1CC[C@@]2(CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000292195627 456882003 /nfs/dbraw/zinc/88/20/03/456882003.db2.gz RTFHAEHGAKIPML-MRXNPFEDSA-N 1 3 328.378 3.155 10 0 EGAEHO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C2)C1 ZINC000292195627 456882007 /nfs/dbraw/zinc/88/20/07/456882007.db2.gz RTFHAEHGAKIPML-MRXNPFEDSA-N 1 3 328.378 3.155 10 0 EGAEHO CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1c1ccccc1 ZINC000426977602 457932187 /nfs/dbraw/zinc/93/21/87/457932187.db2.gz LYMPRCDAKCSRTB-MOPGFXCFSA-N 1 3 343.515 3.060 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000367638812 457969778 /nfs/dbraw/zinc/96/97/78/457969778.db2.gz QUUXCKAXLLMCPG-VAMGGRTRSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000367638812 457969782 /nfs/dbraw/zinc/96/97/82/457969782.db2.gz QUUXCKAXLLMCPG-VAMGGRTRSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000367638812 457969787 /nfs/dbraw/zinc/96/97/87/457969787.db2.gz QUUXCKAXLLMCPG-VAMGGRTRSA-N 1 3 342.531 3.280 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000358555412 458073498 /nfs/dbraw/zinc/07/34/98/458073498.db2.gz AEOZPMFTVMAZMT-PCCBWWKXSA-N 1 3 342.527 3.429 10 0 EGAEHO CN1CCC[C@H](C[NH2+]C2CCN(C3CC3)CC2)[C@@H]1c1cccs1 ZINC000459439468 458370756 /nfs/dbraw/zinc/37/07/56/458370756.db2.gz TZTXAXCOOOEXNW-DNVCBOLYSA-N 1 3 333.545 3.347 10 0 EGAEHO COc1ccc(C[C@H]([NH2+][C@H](C)[C@@H](C)N)c2ccc(OC)cc2)cc1 ZINC000423435387 458432256 /nfs/dbraw/zinc/43/22/56/458432256.db2.gz DRRRYGLGBIUGDP-SXGZJXTBSA-N 1 3 328.456 3.313 10 0 EGAEHO COc1ccc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000459746973 458467356 /nfs/dbraw/zinc/46/73/56/458467356.db2.gz ZIYMFDPSIWEDMV-HOCLYGCPSA-N 1 3 333.476 3.036 10 0 EGAEHO COc1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1NC(C)=O ZINC000459746973 458467362 /nfs/dbraw/zinc/46/73/62/458467362.db2.gz ZIYMFDPSIWEDMV-HOCLYGCPSA-N 1 3 333.476 3.036 10 0 EGAEHO C[C@H]1CN(C)C[C@H]1NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682939 458958725 /nfs/dbraw/zinc/95/87/25/458958725.db2.gz KLINKZLOOSXYJR-TWFHAPMSSA-N 1 3 329.532 3.204 10 0 EGAEHO C[C@H]1CN(C)C[C@H]1NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682939 458958727 /nfs/dbraw/zinc/95/87/27/458958727.db2.gz KLINKZLOOSXYJR-TWFHAPMSSA-N 1 3 329.532 3.204 10 0 EGAEHO C[C@H]([NH2+]CC1(N)CCCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000520216665 459040197 /nfs/dbraw/zinc/04/01/97/459040197.db2.gz KQTFUUFUOHIIIO-ICSRJNTNSA-N 1 3 345.531 3.090 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2cc(Br)cs2)[C@H]2CCC[C@@H]21 ZINC000582137917 459314618 /nfs/dbraw/zinc/31/46/18/459314618.db2.gz HIWXLDRFVMZKQM-RDBSUJKOSA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2cc(Br)cs2)[C@H]2CCC[C@@H]21 ZINC000582137917 459314621 /nfs/dbraw/zinc/31/46/21/459314621.db2.gz HIWXLDRFVMZKQM-RDBSUJKOSA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@H]2CCC[C@@H]21 ZINC000582137917 459314626 /nfs/dbraw/zinc/31/46/26/459314626.db2.gz HIWXLDRFVMZKQM-RDBSUJKOSA-N 1 3 329.307 3.473 10 0 EGAEHO C[C@@H](Cc1ccsc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000541760196 459488482 /nfs/dbraw/zinc/48/84/82/459488482.db2.gz BNORQFUYJCNJHO-KRWDZBQOSA-N 1 3 335.561 3.029 10 0 EGAEHO COc1ccc(CN2CC[C@@H]2CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000527965514 459784155 /nfs/dbraw/zinc/78/41/55/459784155.db2.gz DVTFKQPQIWYDRV-LJQANCHMSA-N 1 3 345.531 3.122 10 0 EGAEHO COc1ccc(CN2CC[C@@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000527965514 459784159 /nfs/dbraw/zinc/78/41/59/459784159.db2.gz DVTFKQPQIWYDRV-LJQANCHMSA-N 1 3 345.531 3.122 10 0 EGAEHO C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCN1C1CCCCC1)c1ccccc1 ZINC000628544272 460453114 /nfs/dbraw/zinc/45/31/14/460453114.db2.gz YJBZLFSXOVSFDL-UXHICEINSA-N 1 3 343.515 3.203 10 0 EGAEHO CC(C)N1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631663885 460497399 /nfs/dbraw/zinc/49/73/99/460497399.db2.gz QGRNFPYHZBTUNH-QGZVFWFLSA-N 1 3 328.859 3.365 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623945292 460791190 /nfs/dbraw/zinc/79/11/90/460791190.db2.gz HTQMDMIIXYLYBP-KRWDZBQOSA-N 1 3 330.520 3.113 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623945292 460791197 /nfs/dbraw/zinc/79/11/97/460791197.db2.gz HTQMDMIIXYLYBP-KRWDZBQOSA-N 1 3 330.520 3.113 10 0 EGAEHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629522198 460794922 /nfs/dbraw/zinc/79/49/22/460794922.db2.gz XEBIEYDBIZMYFK-GFCCVEGCSA-N 1 3 349.475 3.416 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000629529278 460797156 /nfs/dbraw/zinc/79/71/56/460797156.db2.gz XOMYYLUSBSKTCR-GFCCVEGCSA-N 1 3 337.464 3.144 10 0 EGAEHO [NH3+]CCCOCCN[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000629535430 460799498 /nfs/dbraw/zinc/79/94/98/460799498.db2.gz CNNHVSADQFIONE-CQSZACIVSA-N 1 3 347.684 3.045 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC)C2)cc1 ZINC000617929368 461030053 /nfs/dbraw/zinc/03/00/53/461030053.db2.gz HRWIVVQGKSFAKD-HXUWFJFHSA-N 1 3 345.531 3.475 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC)C2)cc1 ZINC000617929368 461030061 /nfs/dbraw/zinc/03/00/61/461030061.db2.gz HRWIVVQGKSFAKD-HXUWFJFHSA-N 1 3 345.531 3.475 10 0 EGAEHO Cc1nc(C)c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000628232101 461055044 /nfs/dbraw/zinc/05/50/44/461055044.db2.gz MOHQUJNENYUJKK-UHFFFAOYSA-N 1 3 343.471 3.098 10 0 EGAEHO c1ccc([C@H]2C[N@@H+](C[C@@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249275 461141597 /nfs/dbraw/zinc/14/15/97/461141597.db2.gz RXKBRGKDTSZVLB-PZJWPPBQSA-N 1 3 334.463 3.155 10 0 EGAEHO c1ccc([C@H]2C[N@H+](C[C@@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249275 461141603 /nfs/dbraw/zinc/14/16/03/461141603.db2.gz RXKBRGKDTSZVLB-PZJWPPBQSA-N 1 3 334.463 3.155 10 0 EGAEHO c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000662279840 461162361 /nfs/dbraw/zinc/16/23/61/461162361.db2.gz MGFHMGXAIWEBIP-LJQANCHMSA-N 1 3 346.478 3.347 10 0 EGAEHO c1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000662279840 461162370 /nfs/dbraw/zinc/16/23/70/461162370.db2.gz MGFHMGXAIWEBIP-LJQANCHMSA-N 1 3 346.478 3.347 10 0 EGAEHO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662284039 461164765 /nfs/dbraw/zinc/16/47/65/461164765.db2.gz WUJIRAXLZCJYFD-MSOLQXFVSA-N 1 3 342.508 3.451 10 0 EGAEHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293249 461170628 /nfs/dbraw/zinc/17/06/28/461170628.db2.gz FAOBRXVMQRLIDT-QFBILLFUSA-N 1 3 343.515 3.288 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662387987 461225797 /nfs/dbraw/zinc/22/57/97/461225797.db2.gz YFRQQLVRUPWHEJ-FUHIMQAGSA-N 1 3 343.515 3.095 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662387987 461225807 /nfs/dbraw/zinc/22/58/07/461225807.db2.gz YFRQQLVRUPWHEJ-FUHIMQAGSA-N 1 3 343.515 3.095 10 0 EGAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662455056 461248524 /nfs/dbraw/zinc/24/85/24/461248524.db2.gz UKJPPSQGTIDHJO-VQIMIIECSA-N 1 3 343.515 3.238 10 0 EGAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662455056 461248533 /nfs/dbraw/zinc/24/85/33/461248533.db2.gz UKJPPSQGTIDHJO-VQIMIIECSA-N 1 3 343.515 3.238 10 0 EGAEHO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CS1 ZINC000668488582 461303223 /nfs/dbraw/zinc/30/32/23/461303223.db2.gz BZQOCQCOPNQPEK-OTWHNJEPSA-N 1 3 348.556 3.263 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000653044907 461474727 /nfs/dbraw/zinc/47/47/27/461474727.db2.gz IICLSLUSXXDHFJ-ZIAGYGMSSA-N 1 3 344.377 3.482 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000655862261 461510524 /nfs/dbraw/zinc/51/05/24/461510524.db2.gz ZAIMDOODANKAMC-LJQANCHMSA-N 1 3 332.488 3.208 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000663503060 461676522 /nfs/dbraw/zinc/67/65/22/461676522.db2.gz NCFJWEQMPNCZPL-SWLSCSKDSA-N 1 3 345.409 3.386 10 0 EGAEHO Cc1ccc(NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000663503938 461676841 /nfs/dbraw/zinc/67/68/41/461676841.db2.gz VGQFRZHOCYOJGT-DZGCQCFKSA-N 1 3 325.884 3.329 10 0 EGAEHO Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479368 461725392 /nfs/dbraw/zinc/72/53/92/461725392.db2.gz DMJFOLVUZJNDBC-WIYYLYMNSA-N 1 3 338.499 3.360 10 0 EGAEHO COc1ccc(C(C)C)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000653593098 461746950 /nfs/dbraw/zinc/74/69/50/461746950.db2.gz GTJNTGMIUFPRDP-UHFFFAOYSA-N 1 3 347.547 3.276 10 0 EGAEHO COc1ccc(-c2cnc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000643895296 461832915 /nfs/dbraw/zinc/83/29/15/461832915.db2.gz RXGVRZARUJLIKZ-OAHLLOKOSA-N 1 3 341.455 3.314 10 0 EGAEHO c1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000639337733 461868371 /nfs/dbraw/zinc/86/83/71/461868371.db2.gz OKVPDLVUBLFFGO-UXHICEINSA-N 1 3 327.516 3.225 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(OC(F)F)c(OC)c1 ZINC000650718281 461909850 /nfs/dbraw/zinc/90/98/50/461909850.db2.gz FVUUASIDJHYIMD-UHFFFAOYSA-N 1 3 336.382 3.306 10 0 EGAEHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2CC2CCCC2)CC1 ZINC000653892238 461921528 /nfs/dbraw/zinc/92/15/28/461921528.db2.gz DIIFNVWCWQKDRW-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(OCCN(C)C)cc1 ZINC000650750792 461933568 /nfs/dbraw/zinc/93/35/68/461933568.db2.gz LDUKXFOUBBBBSK-APWZRJJASA-N 1 3 339.483 3.314 10 0 EGAEHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccnn2-c2ccncc2)C1 ZINC000657311957 462036838 /nfs/dbraw/zinc/03/68/38/462036838.db2.gz ACGHOVAROIIGMS-ROUUACIJSA-N 1 3 341.503 3.115 10 0 EGAEHO CC(C)CC[NH+]1CCC(CNCc2ccnn2-c2ccncc2)CC1 ZINC000657391684 462092730 /nfs/dbraw/zinc/09/27/30/462092730.db2.gz WTHMSUUGBVLRLG-UHFFFAOYSA-N 1 3 341.503 3.115 10 0 EGAEHO CCOc1ccccc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657536876 462171877 /nfs/dbraw/zinc/17/18/77/462171877.db2.gz SAZMATOIUGYACH-UHFFFAOYSA-N 1 3 332.488 3.066 10 0 EGAEHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)s1 ZINC000657595831 462196951 /nfs/dbraw/zinc/19/69/51/462196951.db2.gz KPKQHKIYYDOKHU-LJQANCHMSA-N 1 3 330.497 3.221 10 0 EGAEHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(C)s1 ZINC000657595831 462196955 /nfs/dbraw/zinc/19/69/55/462196955.db2.gz KPKQHKIYYDOKHU-LJQANCHMSA-N 1 3 330.497 3.221 10 0 EGAEHO C[C@H]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664185 462221178 /nfs/dbraw/zinc/22/11/78/462221178.db2.gz IFCVVTFBFAXLHG-FXAWDEMLSA-N 1 3 345.531 3.264 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657663947 462221608 /nfs/dbraw/zinc/22/16/08/462221608.db2.gz GTYZNNUDKBKMPB-GOSISDBHSA-N 1 3 337.458 3.354 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657919965 462318117 /nfs/dbraw/zinc/31/81/17/462318117.db2.gz SKGDMMGWDBQBLY-XHSDSOJGSA-N 1 3 331.460 3.368 10 0 EGAEHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc2cnccc2o1 ZINC000657924572 462319726 /nfs/dbraw/zinc/31/97/26/462319726.db2.gz BZDWGXLUKZNAHG-WBAXXEDZSA-N 1 3 343.471 3.246 10 0 EGAEHO c1ccc2c(CCN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232893 462362106 /nfs/dbraw/zinc/36/21/06/462362106.db2.gz XGMSEDFKNYXKDA-WIYYLYMNSA-N 1 3 349.434 3.216 10 0 EGAEHO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000658063176 462362841 /nfs/dbraw/zinc/36/28/41/462362841.db2.gz JMJUJJBFMZHMAK-DLBZAZTESA-N 1 3 327.472 3.476 10 0 EGAEHO Brc1ccccc1C[C@@H]([NH2+]CC12CC(C1)CN2)C1CC1 ZINC000665279631 462383437 /nfs/dbraw/zinc/38/34/37/462383437.db2.gz HUYRTWGSUCGCOJ-PTXATLKXSA-N 1 3 335.289 3.112 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000658106299 462386923 /nfs/dbraw/zinc/38/69/23/462386923.db2.gz AZIFHWNPFXKWHC-STQMWFEESA-N 1 3 331.426 3.027 10 0 EGAEHO Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000658109793 462390358 /nfs/dbraw/zinc/39/03/58/462390358.db2.gz XOQKTZMKEJECQM-LSDHHAIUSA-N 1 3 340.581 3.498 10 0 EGAEHO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658137438 462400726 /nfs/dbraw/zinc/40/07/26/462400726.db2.gz GRESMZXLXUMEIL-YJBOKZPZSA-N 1 3 330.497 3.036 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143180 462407721 /nfs/dbraw/zinc/40/77/21/462407721.db2.gz XIOABCVOYZHPQV-VBKZILBWSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143180 462407726 /nfs/dbraw/zinc/40/77/26/462407726.db2.gz XIOABCVOYZHPQV-VBKZILBWSA-N 1 3 346.421 3.382 10 0 EGAEHO CC1(C)C[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319090 462474718 /nfs/dbraw/zinc/47/47/18/462474718.db2.gz WWHGBLTWLHAXLT-RTBURBONSA-N 1 3 328.500 3.446 10 0 EGAEHO CC1(C)C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319090 462474722 /nfs/dbraw/zinc/47/47/22/462474722.db2.gz WWHGBLTWLHAXLT-RTBURBONSA-N 1 3 328.500 3.446 10 0 EGAEHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339161 462480685 /nfs/dbraw/zinc/48/06/85/462480685.db2.gz QTNZHIJCBZBLIG-HKUYNNGSSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CC(N)=O)CCCCC2)CC1 ZINC000658339161 462480687 /nfs/dbraw/zinc/48/06/87/462480687.db2.gz QTNZHIJCBZBLIG-HKUYNNGSSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339079 462481207 /nfs/dbraw/zinc/48/12/07/462481207.db2.gz PUOBONVYCNWFPJ-IEBWSBKVSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093324592 546684974 /nfs/dbraw/zinc/68/49/74/546684974.db2.gz OQUNBHWVBRBKED-KRWDZBQOSA-N 1 3 342.483 3.396 10 0 EGAEHO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093324592 546684976 /nfs/dbraw/zinc/68/49/76/546684976.db2.gz OQUNBHWVBRBKED-KRWDZBQOSA-N 1 3 342.483 3.396 10 0 EGAEHO CN1CCC(C[NH2+][C@H]2CCc3ccc(F)cc32)(N2CCCCC2)CC1 ZINC000175016118 547009453 /nfs/dbraw/zinc/00/94/53/547009453.db2.gz COPGNCRCUAIJMP-FQEVSTJZSA-N 1 3 345.506 3.353 10 0 EGAEHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H]1CCOC1 ZINC000310183647 547461379 /nfs/dbraw/zinc/46/13/79/547461379.db2.gz WYIYTMJUSHPQQO-SSSFQFABSA-N 1 3 328.500 3.302 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871241 548995120 /nfs/dbraw/zinc/99/51/20/548995120.db2.gz CGNNWRWZXKQJPM-HOCLYGCPSA-N 1 3 333.545 3.056 10 0 EGAEHO CC(C)OC[C@@H](Cc1ccc(F)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872021001 1296663188 /nfs/dbraw/zinc/66/31/88/1296663188.db2.gz MLURMNPDZHZDTG-IEBWSBKVSA-N 1 3 334.479 3.236 10 0 EGAEHO CC(C)OC[C@@H](Cc1ccc(F)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000872021001 1296663204 /nfs/dbraw/zinc/66/32/04/1296663204.db2.gz MLURMNPDZHZDTG-IEBWSBKVSA-N 1 3 334.479 3.236 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CCCCCC[NH3+] ZINC000872155628 1296772600 /nfs/dbraw/zinc/77/26/00/1296772600.db2.gz WZBFNLYKQKJYTB-CQSZACIVSA-N 1 3 325.884 3.426 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000305880299 1297063558 /nfs/dbraw/zinc/06/35/58/1297063558.db2.gz UIRBTLCSRJPKEI-CIAFKFPVSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000305880299 1297063569 /nfs/dbraw/zinc/06/35/69/1297063569.db2.gz UIRBTLCSRJPKEI-CIAFKFPVSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000305880299 1297063581 /nfs/dbraw/zinc/06/35/81/1297063581.db2.gz UIRBTLCSRJPKEI-CIAFKFPVSA-N 1 3 336.479 3.220 10 0 EGAEHO Brc1cnc(CN[C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232202 1297371966 /nfs/dbraw/zinc/37/19/66/1297371966.db2.gz BSPQQYXPSNPHNB-LLVKDONJSA-N 1 3 344.322 3.308 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000382730302 1297563234 /nfs/dbraw/zinc/56/32/34/1297563234.db2.gz AAGZYBXQFSUJTM-GOSISDBHSA-N 1 3 335.495 3.039 10 0 EGAEHO C[C@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659129 1297572637 /nfs/dbraw/zinc/57/26/37/1297572637.db2.gz IWXXWKQPKJYGLB-CVEARBPZSA-N 1 3 339.524 3.273 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC000388476681 1297601767 /nfs/dbraw/zinc/60/17/67/1297601767.db2.gz RZHWVULMNLNGNE-DZGCQCFKSA-N 1 3 325.294 3.441 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCCC[C@H](CN)C1 ZINC000388476681 1297601773 /nfs/dbraw/zinc/60/17/73/1297601773.db2.gz RZHWVULMNLNGNE-DZGCQCFKSA-N 1 3 325.294 3.441 10 0 EGAEHO CN1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000390665033 1297631298 /nfs/dbraw/zinc/63/12/98/1297631298.db2.gz QTSHVFGNRJLPMD-WOJBJXKFSA-N 1 3 329.532 3.361 10 0 EGAEHO Cc1noc2ncc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000894598268 1308972765 /nfs/dbraw/zinc/97/27/65/1308972765.db2.gz XVGISYDYLPTEOC-KRWDZBQOSA-N 1 3 336.439 3.143 10 0 EGAEHO COC(=O)CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894762718 1309055575 /nfs/dbraw/zinc/05/55/75/1309055575.db2.gz YILZCQBGXJKEMH-UFYCRDLUSA-N 1 3 344.499 3.363 10 0 EGAEHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cc3ccccc3nc1Cl)CC2 ZINC000923456023 1322754373 /nfs/dbraw/zinc/75/43/73/1322754373.db2.gz NSFLUXQPRQBYLC-INIZCTEOSA-N 1 3 345.874 3.218 10 0 EGAEHO CC(C)(C)OC(=O)C1(CC[NH+]2CCC(C)(N3CCC3)CC2)CCC1 ZINC000931701286 1329166848 /nfs/dbraw/zinc/16/68/48/1329166848.db2.gz YHZZDFSLDOKVJN-UHFFFAOYSA-N 1 3 336.520 3.449 10 0 EGAEHO COc1ccc(CCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cc1OC ZINC000925482976 1325170097 /nfs/dbraw/zinc/17/00/97/1325170097.db2.gz VMDHGNURNMTXMR-MOPGFXCFSA-N 1 3 346.515 3.394 10 0 EGAEHO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925516567 1325187338 /nfs/dbraw/zinc/18/73/38/1325187338.db2.gz DQSTYWNSBANNFF-QZTJIDSGSA-N 1 3 326.488 3.103 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533165 1325194592 /nfs/dbraw/zinc/19/45/92/1325194592.db2.gz KKZZAOQZQYHDKM-MSOLQXFVSA-N 1 3 331.504 3.164 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000925597850 1325227862 /nfs/dbraw/zinc/22/78/62/1325227862.db2.gz OJQYPMPXSIBDEH-HUUCEWRRSA-N 1 3 348.878 3.428 10 0 EGAEHO COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCNC[C@H]3C3CCCC3)c21 ZINC000925627176 1325237615 /nfs/dbraw/zinc/23/76/15/1325237615.db2.gz AAAUQKPWMWKZPH-ZWKOTPCHSA-N 1 3 341.499 3.477 10 0 EGAEHO Fc1ccc(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(F)c1F ZINC000925638241 1325242836 /nfs/dbraw/zinc/24/28/36/1325242836.db2.gz YXYZEHSCSBNBGY-HOCLYGCPSA-N 1 3 326.406 3.404 10 0 EGAEHO Fc1ccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c(F)c1F ZINC000925638241 1325242845 /nfs/dbraw/zinc/24/28/45/1325242845.db2.gz YXYZEHSCSBNBGY-HOCLYGCPSA-N 1 3 326.406 3.404 10 0 EGAEHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725702 1325270732 /nfs/dbraw/zinc/27/07/32/1325270732.db2.gz NCBBRPASHRLAFV-CDCDMVGVSA-N 1 3 347.300 3.206 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000925783954 1325300152 /nfs/dbraw/zinc/30/01/52/1325300152.db2.gz QAIGMVORMSZBJP-FZMZJTMJSA-N 1 3 345.231 3.271 10 0 EGAEHO Fc1ccc([C@H](NCCCCCC2CC[NH2+]CC2)c2nnc[nH]2)cc1 ZINC000925807045 1325310220 /nfs/dbraw/zinc/31/02/20/1325310220.db2.gz HSKNYPPQSUUHAS-SFHVURJKSA-N 1 3 345.466 3.183 10 0 EGAEHO Cc1cccc(NC(=O)C[C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000925840168 1325323688 /nfs/dbraw/zinc/32/36/88/1325323688.db2.gz HPIPDCGLSXIIDQ-QKYXUNIQSA-N 1 3 329.488 3.142 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)ccn1 ZINC000926694205 1327669706 /nfs/dbraw/zinc/66/97/06/1327669706.db2.gz REIFLZLJABJCDL-RTWAWAEBSA-N 1 3 343.515 3.088 10 0 EGAEHO CC(C)CC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)CC1 ZINC000926879770 1327753527 /nfs/dbraw/zinc/75/35/27/1327753527.db2.gz WJCIZERZITXLEL-KVPLUYHFSA-N 1 3 338.536 3.059 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000926893421 1327761185 /nfs/dbraw/zinc/76/11/85/1327761185.db2.gz QHPVQFGSIHMGCD-FWZVCBSNSA-N 1 3 327.516 3.254 10 0 EGAEHO COc1ccc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1CN1CCCCC1 ZINC000863548476 1329562167 /nfs/dbraw/zinc/56/21/67/1329562167.db2.gz XQNXHFHXQOVGIA-UWVAXJGDSA-N 1 3 345.531 3.472 10 0 EGAEHO C[N@@H+]1C[C@@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@]2(C)C1 ZINC000933738133 1329918571 /nfs/dbraw/zinc/91/85/71/1329918571.db2.gz GUBPSJUZIDCSSN-UTKZUKDTSA-N 1 3 337.467 3.052 10 0 EGAEHO C[N@H+]1C[C@@H]2CN(CCC(=O)Nc3cccc4ccccc43)C[C@]2(C)C1 ZINC000933738133 1329918572 /nfs/dbraw/zinc/91/85/72/1329918572.db2.gz GUBPSJUZIDCSSN-UTKZUKDTSA-N 1 3 337.467 3.052 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866230923 1330081449 /nfs/dbraw/zinc/08/14/49/1330081449.db2.gz IJDBJRQKDPDPKX-UZLBHIALSA-N 1 3 333.495 3.066 10 0 EGAEHO C([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CCN1C1CCCCCC1 ZINC000866562451 1330126938 /nfs/dbraw/zinc/12/69/38/1330126938.db2.gz SFMFJPVDXVRTTM-RTWAWAEBSA-N 1 3 349.563 3.017 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c1 ZINC001323441685 1387370144 /nfs/dbraw/zinc/37/01/44/1387370144.db2.gz JBPRICJACMLWNZ-PKOBYXMFSA-N 1 3 343.515 3.167 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641016 1387415853 /nfs/dbraw/zinc/41/58/53/1387415853.db2.gz GRAKKCKNPWKJIG-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641016 1387415851 /nfs/dbraw/zinc/41/58/51/1387415851.db2.gz GRAKKCKNPWKJIG-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001323694414 1387422903 /nfs/dbraw/zinc/42/29/03/1387422903.db2.gz YEEMGFRKBBINJK-MOPGFXCFSA-N 1 3 349.563 3.362 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001323694414 1387422904 /nfs/dbraw/zinc/42/29/04/1387422904.db2.gz YEEMGFRKBBINJK-MOPGFXCFSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001323813943 1387466066 /nfs/dbraw/zinc/46/60/66/1387466066.db2.gz VTIPOYRVQSREGN-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001323813943 1387466067 /nfs/dbraw/zinc/46/60/67/1387466067.db2.gz VTIPOYRVQSREGN-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001324236969 1387564700 /nfs/dbraw/zinc/56/47/00/1387564700.db2.gz RSBMKRBHRPDLMV-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001324335089 1387596146 /nfs/dbraw/zinc/59/61/46/1387596146.db2.gz PBUMIZBJNXOQAT-JLAWEPINSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1)N(C)C ZINC001324511108 1387657327 /nfs/dbraw/zinc/65/73/27/1387657327.db2.gz YAJQHAXCWCSNKK-MSOLQXFVSA-N 1 3 339.568 3.273 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778126 1388045021 /nfs/dbraw/zinc/04/50/21/1388045021.db2.gz CBPAHXRLVGFACJ-CADBVGFASA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778126 1388045023 /nfs/dbraw/zinc/04/50/23/1388045023.db2.gz CBPAHXRLVGFACJ-CADBVGFASA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@@H]1CN(Cc2ccc(-c3cnn(C)c3)cc2)CCN1c1cc[nH+]cc1 ZINC001119516241 1371360653 /nfs/dbraw/zinc/36/06/53/1371360653.db2.gz SETZZAGLSLFERT-QGZVFWFLSA-N 1 3 347.466 3.193 10 0 EGAEHO CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001326457628 1388196342 /nfs/dbraw/zinc/19/63/42/1388196342.db2.gz CXQVVJIGDJTOSK-GOSISDBHSA-N 1 3 343.515 3.043 10 0 EGAEHO CC(C)=CC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001326457628 1388196345 /nfs/dbraw/zinc/19/63/45/1388196345.db2.gz CXQVVJIGDJTOSK-GOSISDBHSA-N 1 3 343.515 3.043 10 0 EGAEHO CC[C@H](C(=O)NCc1cccc2c1CC[N@@H+](C[C@@H](C)CC)C2)N(C)C ZINC001326675711 1388279128 /nfs/dbraw/zinc/27/91/28/1388279128.db2.gz RFPZPPAQSYFDCV-OXJNMPFZSA-N 1 3 345.531 3.047 10 0 EGAEHO CC[C@H](C(=O)NCc1cccc2c1CC[N@H+](C[C@@H](C)CC)C2)N(C)C ZINC001326675711 1388279133 /nfs/dbraw/zinc/27/91/33/1388279133.db2.gz RFPZPPAQSYFDCV-OXJNMPFZSA-N 1 3 345.531 3.047 10 0 EGAEHO CCc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001327132360 1388395589 /nfs/dbraw/zinc/39/55/89/1388395589.db2.gz YHZVTVWJKMDTQE-VQTJNVASSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001327132360 1388395595 /nfs/dbraw/zinc/39/55/95/1388395595.db2.gz YHZVTVWJKMDTQE-VQTJNVASSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001266103023 1377187057 /nfs/dbraw/zinc/18/70/57/1377187057.db2.gz NYTRCPDPCRFWDN-IAGOWNOFSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001266103023 1377187060 /nfs/dbraw/zinc/18/70/60/1377187060.db2.gz NYTRCPDPCRFWDN-IAGOWNOFSA-N 1 3 325.541 3.076 10 0 EGAEHO CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116904 1377194301 /nfs/dbraw/zinc/19/43/01/1377194301.db2.gz OJFLTXJOCKZVLV-PSUNPMBVSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266116904 1377194302 /nfs/dbraw/zinc/19/43/02/1377194302.db2.gz OJFLTXJOCKZVLV-PSUNPMBVSA-N 1 3 337.552 3.242 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C(C)C)cc1 ZINC001267180859 1377427146 /nfs/dbraw/zinc/42/71/46/1377427146.db2.gz DAWRDBAKKGOMJY-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)CN(C)C(C)C)cc1 ZINC001267180859 1377427148 /nfs/dbraw/zinc/42/71/48/1377427148.db2.gz DAWRDBAKKGOMJY-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001270830922 1377615458 /nfs/dbraw/zinc/61/54/58/1377615458.db2.gz UUINGSMMHGSHLQ-QUCCMNQESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001280262907 1378337543 /nfs/dbraw/zinc/33/75/43/1378337543.db2.gz AJMXQHNJCVDNIH-PMACEKPBSA-N 1 3 349.563 3.291 10 0 EGAEHO CN(C)C1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCC1 ZINC001142880280 1378503060 /nfs/dbraw/zinc/50/30/60/1378503060.db2.gz ISEVPHGCDRAXIJ-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001282741447 1378592906 /nfs/dbraw/zinc/59/29/06/1378592906.db2.gz SKIFCKOMHVXFFW-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCN1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001327696442 1388586203 /nfs/dbraw/zinc/58/62/03/1388586203.db2.gz SPZFCYXIIDLHTR-IRXDYDNUSA-N 1 3 343.515 3.291 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001284104902 1379477909 /nfs/dbraw/zinc/47/79/09/1379477909.db2.gz ZVZWUKRLOFPVTD-CEXWTWQISA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297482 1379685186 /nfs/dbraw/zinc/68/51/86/1379685186.db2.gz URLGYJUXLJDDOI-IAGOWNOFSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001284653593 1380069737 /nfs/dbraw/zinc/06/97/37/1380069737.db2.gz SSOOYSUUEGGKKK-RBUKOAKNSA-N 1 3 345.531 3.135 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCC1=CCCCC1)C1CCC1 ZINC001328734719 1388832532 /nfs/dbraw/zinc/83/25/32/1388832532.db2.gz ZOOGBLXMMOVYQV-FQEVSTJZSA-N 1 3 347.547 3.284 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1=CCCCC1)C1CCC1 ZINC001328734719 1388832536 /nfs/dbraw/zinc/83/25/36/1388832536.db2.gz ZOOGBLXMMOVYQV-FQEVSTJZSA-N 1 3 347.547 3.284 10 0 EGAEHO CN1CCC[C@H]1CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001308013635 1384074283 /nfs/dbraw/zinc/07/42/83/1384074283.db2.gz ABBRUBSGIUWVON-INIZCTEOSA-N 1 3 339.524 3.192 10 0 EGAEHO CN1CCC[C@H]1CC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001308013635 1384074288 /nfs/dbraw/zinc/07/42/88/1384074288.db2.gz ABBRUBSGIUWVON-INIZCTEOSA-N 1 3 339.524 3.192 10 0 EGAEHO CCCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001316679298 1384520260 /nfs/dbraw/zinc/52/02/60/1384520260.db2.gz AVYKBYKWZBMJJV-QZTJIDSGSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316807104 1384599896 /nfs/dbraw/zinc/59/98/96/1384599896.db2.gz ZTQNKAVDEXCMPR-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001316883240 1384667195 /nfs/dbraw/zinc/66/71/95/1384667195.db2.gz XAGTVFJMGPTVCQ-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001317046148 1384820926 /nfs/dbraw/zinc/82/09/26/1384820926.db2.gz XMAPQDJFSZGCRB-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317046148 1384820933 /nfs/dbraw/zinc/82/09/33/1384820933.db2.gz XMAPQDJFSZGCRB-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416173 1385125820 /nfs/dbraw/zinc/12/58/20/1385125820.db2.gz SOAYCPIXQCLMLO-UYAOXDASSA-N 1 3 345.531 3.162 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317452009 1385150340 /nfs/dbraw/zinc/15/03/40/1385150340.db2.gz AYYPCUXZPAORIK-MOPGFXCFSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317452009 1385150342 /nfs/dbraw/zinc/15/03/42/1385150342.db2.gz AYYPCUXZPAORIK-MOPGFXCFSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001317478816 1385175050 /nfs/dbraw/zinc/17/50/50/1385175050.db2.gz XZEKCDARZWQDRX-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CCN(CC=C(C)C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317478816 1385175053 /nfs/dbraw/zinc/17/50/53/1385175053.db2.gz XZEKCDARZWQDRX-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(CC(=O)NC[C@H]([NH2+]CC1CCCC1)c1ccccc1)C1CCC1 ZINC001317721349 1385421833 /nfs/dbraw/zinc/42/18/33/1385421833.db2.gz ULMWSUGJVYJXGX-FQEVSTJZSA-N 1 3 343.515 3.108 10 0 EGAEHO CC(C)=CC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001318655285 1385819576 /nfs/dbraw/zinc/81/95/76/1385819576.db2.gz CIDYDNYXGKHEJJ-SFHVURJKSA-N 1 3 335.536 3.236 10 0 EGAEHO CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001318999841 1385918335 /nfs/dbraw/zinc/91/83/35/1385918335.db2.gz DQXLAXJKMQIIAS-IBGZPJMESA-N 1 3 331.504 3.065 10 0 EGAEHO CN(CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1)CC(C)(C)C ZINC001319374107 1386087653 /nfs/dbraw/zinc/08/76/53/1386087653.db2.gz DFIPQCXTVDAPJD-UHFFFAOYSA-N 1 3 339.568 3.419 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001319412233 1386109644 /nfs/dbraw/zinc/10/96/44/1386109644.db2.gz MPKYXWLTLOSZIE-UHFFFAOYSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001320117059 1386523851 /nfs/dbraw/zinc/52/38/51/1386523851.db2.gz WEVBVLIJCVJALN-VQTJNVASSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001320117059 1386523854 /nfs/dbraw/zinc/52/38/54/1386523854.db2.gz WEVBVLIJCVJALN-VQTJNVASSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001322003959 1387028876 /nfs/dbraw/zinc/02/88/76/1387028876.db2.gz IBQZYGBCBBDPPQ-PKOBYXMFSA-N 1 3 349.563 3.314 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001322852435 1387247179 /nfs/dbraw/zinc/24/71/79/1387247179.db2.gz OLQSMQMASDTJJD-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001329591578 1389170678 /nfs/dbraw/zinc/17/06/78/1389170678.db2.gz CKCKINPJUIUQHE-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001329591578 1389170681 /nfs/dbraw/zinc/17/06/81/1389170681.db2.gz CKCKINPJUIUQHE-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045740 1389293650 /nfs/dbraw/zinc/29/36/50/1389293650.db2.gz DPZOBRGYHCQFKO-YLJYHZDGSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748722 1406399002 /nfs/dbraw/zinc/39/90/02/1406399002.db2.gz PALFMNDWTAUXPK-MJGOQNOKSA-N 1 3 335.536 3.092 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651346 1389847886 /nfs/dbraw/zinc/84/78/86/1389847886.db2.gz XBQITSPPCSUNJS-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1cccc(CN(C)CCN(C(=O)C2CC[NH+](C)CC2)C(C)C)c1 ZINC001332722158 1390168433 /nfs/dbraw/zinc/16/84/33/1390168433.db2.gz GBRPYTVFLCJWPW-UHFFFAOYSA-N 1 3 345.531 3.006 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786687 1390188249 /nfs/dbraw/zinc/18/82/49/1390188249.db2.gz CWLMXTYFKVMSSY-RTBURBONSA-N 1 3 349.563 3.480 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(C)(C)C ZINC001332788902 1390188858 /nfs/dbraw/zinc/18/88/58/1390188858.db2.gz KDXWMRJGDUZLDD-ROUUACIJSA-N 1 3 339.568 3.416 10 0 EGAEHO C[C@H](c1cccc(F)c1)N1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001332999269 1390233911 /nfs/dbraw/zinc/23/39/11/1390233911.db2.gz SQBBQYDVCDCITQ-JKSUJKDBSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)CCC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001698804512 1406484578 /nfs/dbraw/zinc/48/45/78/1406484578.db2.gz VQZKAMLPVLWEFY-ROUUACIJSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001488642530 1391693076 /nfs/dbraw/zinc/69/30/76/1391693076.db2.gz UAPAMXVCFCIOMN-SFHVURJKSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCN1CC[C@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001488642530 1391693080 /nfs/dbraw/zinc/69/30/80/1391693080.db2.gz UAPAMXVCFCIOMN-SFHVURJKSA-N 1 3 337.552 3.218 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)N1CCCCCC1 ZINC001479397844 1392233379 /nfs/dbraw/zinc/23/33/79/1392233379.db2.gz DSSQGBXBWAJGPR-KZNAEPCWSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001479487059 1392254384 /nfs/dbraw/zinc/25/43/84/1392254384.db2.gz QEUTVBZOACALMJ-IPMKNSEASA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1)N(C)C ZINC001479573342 1392279147 /nfs/dbraw/zinc/27/91/47/1392279147.db2.gz XHRWEOHZTAUMII-NEWSRXKRSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCCC1CCC1)N(C)C ZINC001479738199 1392350229 /nfs/dbraw/zinc/35/02/29/1392350229.db2.gz XZEROAZGHGGURI-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCCC1CCC1)N(C)C ZINC001479738199 1392350231 /nfs/dbraw/zinc/35/02/31/1392350231.db2.gz XZEROAZGHGGURI-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[N@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479796451 1392395932 /nfs/dbraw/zinc/39/59/32/1392395932.db2.gz HWJARROZHGEHGS-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)CCC[N@@H+](C)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479796451 1392395933 /nfs/dbraw/zinc/39/59/33/1392395933.db2.gz HWJARROZHGEHGS-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001698857066 1406564498 /nfs/dbraw/zinc/56/44/98/1406564498.db2.gz YRCUGCKHAKITAM-QZTJIDSGSA-N 1 3 333.520 3.143 10 0 EGAEHO C[N@H+](CCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1)C1CCCCC1 ZINC001479959090 1392495790 /nfs/dbraw/zinc/49/57/90/1392495790.db2.gz ABMKJVFJCOOZCQ-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO C[N@@H+](CCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1)C1CCCCC1 ZINC001479959090 1392495791 /nfs/dbraw/zinc/49/57/91/1392495791.db2.gz ABMKJVFJCOOZCQ-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001479984071 1392516919 /nfs/dbraw/zinc/51/69/19/1392516919.db2.gz NWWYPVNQKRVWLZ-QGZVFWFLSA-N 1 3 335.536 3.022 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001479984373 1392517000 /nfs/dbraw/zinc/51/70/00/1392517000.db2.gz BCASLODZGNEBOM-JTHGQSKGSA-N 1 3 349.563 3.291 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001480208345 1392623180 /nfs/dbraw/zinc/62/31/80/1392623180.db2.gz SHPIAGSBJYXUJS-HDICACEKSA-N 1 3 335.536 3.068 10 0 EGAEHO CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001480367733 1392710621 /nfs/dbraw/zinc/71/06/21/1392710621.db2.gz LVLMFDMJVZYLGS-MOPGFXCFSA-N 1 3 349.494 3.081 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460627 1392759690 /nfs/dbraw/zinc/75/96/90/1392759690.db2.gz WXRBTNSJWAFMQG-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480697900 1392861595 /nfs/dbraw/zinc/86/15/95/1392861595.db2.gz JAGAYOFJQXVOJZ-WIJVFFIESA-N 1 3 335.536 3.234 10 0 EGAEHO CCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001480742567 1392909014 /nfs/dbraw/zinc/90/90/14/1392909014.db2.gz NPXHCOJIIASNPP-HXUWFJFHSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001480742567 1392909016 /nfs/dbraw/zinc/90/90/16/1392909016.db2.gz NPXHCOJIIASNPP-HXUWFJFHSA-N 1 3 345.531 3.012 10 0 EGAEHO CCCN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001481406033 1394260171 /nfs/dbraw/zinc/26/01/71/1394260171.db2.gz OEYQHNAUDOXILX-FQEVSTJZSA-N 1 3 345.531 3.068 10 0 EGAEHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001698946234 1406686080 /nfs/dbraw/zinc/68/60/80/1406686080.db2.gz OFDGSETUGLWRRO-PXNSSMCTSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001490619187 1394285903 /nfs/dbraw/zinc/28/59/03/1394285903.db2.gz VXJQREDCWHVBTN-GOSISDBHSA-N 1 3 337.552 3.221 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481838777 1394553047 /nfs/dbraw/zinc/55/30/47/1394553047.db2.gz HAFGGMWDRCPSDY-SFHVURJKSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001482173452 1394786598 /nfs/dbraw/zinc/78/65/98/1394786598.db2.gz LTGDQKNJCKXPAT-HNNXBMFYSA-N 1 3 347.528 3.083 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001482246111 1394843114 /nfs/dbraw/zinc/84/31/14/1394843114.db2.gz XHMLXKPKTDZUKO-UHFFFAOYSA-N 1 3 347.547 3.143 10 0 EGAEHO C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482331833 1394901151 /nfs/dbraw/zinc/90/11/51/1394901151.db2.gz VDOMASHVWSNDJO-MRXNPFEDSA-N 1 3 327.557 3.227 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001482469153 1395024596 /nfs/dbraw/zinc/02/45/96/1395024596.db2.gz CQRKMTSOZZXBSN-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001484098730 1395249880 /nfs/dbraw/zinc/24/98/80/1395249880.db2.gz ZBLAZZWUKUETNZ-HXUWFJFHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115965 1395260179 /nfs/dbraw/zinc/26/01/79/1395260179.db2.gz YPUKMYBQVURRSH-FPOVZHCZSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)N(C)C ZINC001484389113 1395356496 /nfs/dbraw/zinc/35/64/96/1395356496.db2.gz WWEXVKSHYPNJIE-YRPNKDGESA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)N(C)C ZINC001484389113 1395356504 /nfs/dbraw/zinc/35/65/04/1395356504.db2.gz WWEXVKSHYPNJIE-YRPNKDGESA-N 1 3 349.563 3.122 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001484522993 1395415171 /nfs/dbraw/zinc/41/51/71/1395415171.db2.gz OCVXVXHEQKYXGW-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC)C2)C1 ZINC001485082132 1395652214 /nfs/dbraw/zinc/65/22/14/1395652214.db2.gz MJFIUXIKVKSMCJ-OALUTQOASA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CC)C2)C1 ZINC001485082132 1395652224 /nfs/dbraw/zinc/65/22/24/1395652224.db2.gz MJFIUXIKVKSMCJ-OALUTQOASA-N 1 3 337.552 3.079 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2ccccc2F)CCCCC1 ZINC001485458714 1395931618 /nfs/dbraw/zinc/93/16/18/1395931618.db2.gz FGBGRAQHUUPQGR-UHFFFAOYSA-N 1 3 349.494 3.075 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C)N(CC)CC ZINC001485482104 1395966515 /nfs/dbraw/zinc/96/65/15/1395966515.db2.gz IQSJZWXDGKUCPA-RBUKOAKNSA-N 1 3 337.552 3.434 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C(C)C)N(CC)CC ZINC001485482104 1395966517 /nfs/dbraw/zinc/96/65/17/1395966517.db2.gz IQSJZWXDGKUCPA-RBUKOAKNSA-N 1 3 337.552 3.434 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001485486700 1395972569 /nfs/dbraw/zinc/97/25/69/1395972569.db2.gz ZUBSETZOQYBYAW-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001485486700 1395972572 /nfs/dbraw/zinc/97/25/72/1395972572.db2.gz ZUBSETZOQYBYAW-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001485582619 1396058269 /nfs/dbraw/zinc/05/82/69/1396058269.db2.gz RYQRKZUZSKRTOE-RBUKOAKNSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001485582619 1396058277 /nfs/dbraw/zinc/05/82/77/1396058277.db2.gz RYQRKZUZSKRTOE-RBUKOAKNSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001503764906 1396268666 /nfs/dbraw/zinc/26/86/66/1396268666.db2.gz XDRDWRHJCZJAIW-QULHZPMSSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001492130133 1396306671 /nfs/dbraw/zinc/30/66/71/1396306671.db2.gz YFIUNUHCIGLBAA-INIZCTEOSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1=CCCCC1 ZINC001495751561 1396555860 /nfs/dbraw/zinc/55/58/60/1396555860.db2.gz CXELRKAREUHMIZ-MSOLQXFVSA-N 1 3 335.536 3.093 10 0 EGAEHO CN(C)C1(C(=O)NCC2([NH2+]CCCC3CCCC3)CCCC2)CCC1 ZINC001495918671 1396571838 /nfs/dbraw/zinc/57/18/38/1396571838.db2.gz JNFSLHQUOQPCGF-UHFFFAOYSA-N 1 3 349.563 3.460 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001496490949 1396708949 /nfs/dbraw/zinc/70/89/49/1396708949.db2.gz KHRJWCYLDAASEK-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001496491644 1396709542 /nfs/dbraw/zinc/70/95/42/1396709542.db2.gz NVZDBYRQNDWUGR-YLJYHZDGSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCCCC1 ZINC001497278450 1396744286 /nfs/dbraw/zinc/74/42/86/1396744286.db2.gz WMBCHWDVOZCEJI-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001689309001 1397029301 /nfs/dbraw/zinc/02/93/01/1397029301.db2.gz LNKJBLDAVJZVJK-JKCVZHOFSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001689309001 1397029308 /nfs/dbraw/zinc/02/93/08/1397029308.db2.gz LNKJBLDAVJZVJK-JKCVZHOFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689363497 1403701826 /nfs/dbraw/zinc/70/18/26/1403701826.db2.gz UVHQIYUMHYMIPW-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689363497 1403701828 /nfs/dbraw/zinc/70/18/28/1403701828.db2.gz UVHQIYUMHYMIPW-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001690029015 1404267274 /nfs/dbraw/zinc/26/72/74/1404267274.db2.gz QMAINVSSYNQCMN-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001690131800 1404327505 /nfs/dbraw/zinc/32/75/05/1404327505.db2.gz ZZYFBXDSEVODOB-MJGOQNOKSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690317900 1404475133 /nfs/dbraw/zinc/47/51/33/1404475133.db2.gz MIJLJIVUDFPHMD-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690317900 1404475136 /nfs/dbraw/zinc/47/51/36/1404475136.db2.gz MIJLJIVUDFPHMD-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001690574910 1404637335 /nfs/dbraw/zinc/63/73/35/1404637335.db2.gz KMZGXZBJJPHLRF-OXJNMPFZSA-N 1 3 343.515 3.031 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001725151906 1425638068 /nfs/dbraw/zinc/63/80/68/1425638068.db2.gz ZNMWNZXPHJJZFR-MOPGFXCFSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691226641 1405166241 /nfs/dbraw/zinc/16/62/41/1405166241.db2.gz ZPKXPYSIMLMNMQ-OKZBNKHCSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691226257 1405166318 /nfs/dbraw/zinc/16/63/18/1405166318.db2.gz OFCADCZRUMBOFA-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691693103 1405427761 /nfs/dbraw/zinc/42/77/61/1405427761.db2.gz ZCUJWLLYXNSERU-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCc1ccc(CN2CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]2C)cc1 ZINC001691740659 1405462632 /nfs/dbraw/zinc/46/26/32/1405462632.db2.gz AQSUKZDLKWZBHQ-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCCc1ccc(CN2CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]2C)cc1 ZINC001691740659 1405462633 /nfs/dbraw/zinc/46/26/33/1405462633.db2.gz AQSUKZDLKWZBHQ-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO C[N@H+](CCC1CCCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001691794246 1405505580 /nfs/dbraw/zinc/50/55/80/1405505580.db2.gz WHCNYEHKTHCAFW-IBGZPJMESA-N 1 3 346.519 3.236 10 0 EGAEHO C[N@@H+](CCC1CCCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001691794246 1405505584 /nfs/dbraw/zinc/50/55/84/1405505584.db2.gz WHCNYEHKTHCAFW-IBGZPJMESA-N 1 3 346.519 3.236 10 0 EGAEHO CC(C)CCC[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001692014106 1405733755 /nfs/dbraw/zinc/73/37/55/1405733755.db2.gz QIYQWJNTMQRCGX-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001692014106 1405733757 /nfs/dbraw/zinc/73/37/57/1405733757.db2.gz QIYQWJNTMQRCGX-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001692121265 1405783318 /nfs/dbraw/zinc/78/33/18/1405783318.db2.gz QXTVKWQGXUXYSV-PXEQJPNCSA-N 1 3 337.552 3.290 10 0 EGAEHO CCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001692280149 1405914912 /nfs/dbraw/zinc/91/49/12/1405914912.db2.gz PWPNZKQLTSGIML-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001692280149 1405914918 /nfs/dbraw/zinc/91/49/18/1405914918.db2.gz PWPNZKQLTSGIML-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001692330920 1405949532 /nfs/dbraw/zinc/94/95/32/1405949532.db2.gz CAMRGISDQSZICX-MRXNPFEDSA-N 1 3 345.531 3.045 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598802 1406223774 /nfs/dbraw/zinc/22/37/74/1406223774.db2.gz ZVQXRSCMTNADSF-WOJBJXKFSA-N 1 3 345.531 3.161 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001732154553 1428397713 /nfs/dbraw/zinc/39/77/13/1428397713.db2.gz HTNWSXAYWQHODO-NLWGTHIKSA-N 1 3 345.531 3.141 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001732154553 1428397716 /nfs/dbraw/zinc/39/77/16/1428397716.db2.gz HTNWSXAYWQHODO-NLWGTHIKSA-N 1 3 345.531 3.141 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174751 1428419583 /nfs/dbraw/zinc/41/95/83/1428419583.db2.gz WIELYUUMYCZPIR-DLBZAZTESA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174751 1428419585 /nfs/dbraw/zinc/41/95/85/1428419585.db2.gz WIELYUUMYCZPIR-DLBZAZTESA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001699307424 1412629835 /nfs/dbraw/zinc/62/98/35/1412629835.db2.gz GEHTUTCDHJGAPR-PALPZSCYSA-N 1 3 337.895 3.003 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001699309044 1412631058 /nfs/dbraw/zinc/63/10/58/1412631058.db2.gz PSPKWZKTRCLVOB-BQYQJAHWSA-N 1 3 345.531 3.043 10 0 EGAEHO CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483310 1412878140 /nfs/dbraw/zinc/87/81/40/1412878140.db2.gz NISRWYJOXDPVMS-MSOLQXFVSA-N 1 3 337.552 3.029 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001699861436 1413295660 /nfs/dbraw/zinc/29/56/60/1413295660.db2.gz IJRWBZLLAUTTEK-GIFJBRJJSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181159 1413594415 /nfs/dbraw/zinc/59/44/15/1413594415.db2.gz PUHPCYAYZCXGDK-DVBCCOPCSA-N 1 3 337.552 3.291 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181159 1413594418 /nfs/dbraw/zinc/59/44/18/1413594418.db2.gz PUHPCYAYZCXGDK-DVBCCOPCSA-N 1 3 337.552 3.291 10 0 EGAEHO CCC1([NH2+]CC2CCCCCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001700225052 1413675745 /nfs/dbraw/zinc/67/57/45/1413675745.db2.gz SZZZAUJGSAHSHA-UHFFFAOYSA-N 1 3 349.563 3.413 10 0 EGAEHO CCC1([NH2+]C[C@@H](C)CC(C)C)CCN(C(=O)CN2CCCC2)CC1 ZINC001700224945 1413675958 /nfs/dbraw/zinc/67/59/58/1413675958.db2.gz ORBXLKYMGQFIIA-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294305 1413753629 /nfs/dbraw/zinc/75/36/29/1413753629.db2.gz PYKCXNIAJSSGID-LKGOPFMKSA-N 1 3 346.519 3.224 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294305 1413753637 /nfs/dbraw/zinc/75/36/37/1413753637.db2.gz PYKCXNIAJSSGID-LKGOPFMKSA-N 1 3 346.519 3.224 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001700475709 1414101894 /nfs/dbraw/zinc/10/18/94/1414101894.db2.gz FWAZRLKHSXDUGO-ICSRJNTNSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001700475709 1414101899 /nfs/dbraw/zinc/10/18/99/1414101899.db2.gz FWAZRLKHSXDUGO-ICSRJNTNSA-N 1 3 345.531 3.194 10 0 EGAEHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001700550922 1414221111 /nfs/dbraw/zinc/22/11/11/1414221111.db2.gz PZNVIFHBZQTOTO-LXXRFIIISA-N 1 3 343.515 3.155 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700630752 1414300121 /nfs/dbraw/zinc/30/01/21/1414300121.db2.gz BQHNFRLBHPUKEF-WNOVQSLWSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913430 1414566507 /nfs/dbraw/zinc/56/65/07/1414566507.db2.gz UAVCOZIAKXNMAI-RBUKOAKNSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@H+](CCCC3CCCC3)CC2)C1 ZINC001701058040 1414713859 /nfs/dbraw/zinc/71/38/59/1414713859.db2.gz OMONAANABUSDHJ-SFHVURJKSA-N 1 3 347.547 3.047 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC2=CC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC001701058040 1414713862 /nfs/dbraw/zinc/71/38/62/1414713862.db2.gz OMONAANABUSDHJ-SFHVURJKSA-N 1 3 347.547 3.047 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001701061293 1414717869 /nfs/dbraw/zinc/71/78/69/1414717869.db2.gz HQRWFUUMHWIQHK-MOPGFXCFSA-N 1 3 349.563 3.293 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001701061293 1414717870 /nfs/dbraw/zinc/71/78/70/1414717870.db2.gz HQRWFUUMHWIQHK-MOPGFXCFSA-N 1 3 349.563 3.293 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001707240862 1417260801 /nfs/dbraw/zinc/26/08/01/1417260801.db2.gz LSQNWFKTYDFAPY-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001707242835 1417262415 /nfs/dbraw/zinc/26/24/15/1417262415.db2.gz XAVUCJRGPIRNEX-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001712999601 1417552237 /nfs/dbraw/zinc/55/22/37/1417552237.db2.gz NRSZXJQSJFWSJC-APWZRJJASA-N 1 3 346.519 3.282 10 0 EGAEHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001713101454 1417654881 /nfs/dbraw/zinc/65/48/81/1417654881.db2.gz UHKQKTGYWVTOIK-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1)N1CCCCC1 ZINC001713110166 1417671612 /nfs/dbraw/zinc/67/16/12/1417671612.db2.gz ZRHHMDXLXSLPEZ-GOSISDBHSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121514 1417687792 /nfs/dbraw/zinc/68/77/92/1417687792.db2.gz LASYHACWBZJZEY-WOJBJXKFSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](C(C)C)CC[C@@H]21 ZINC001713182508 1417757025 /nfs/dbraw/zinc/75/70/25/1417757025.db2.gz OGGMSIPEKKBRDR-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](C(C)C)CC[C@@H]21 ZINC001713182508 1417757027 /nfs/dbraw/zinc/75/70/27/1417757027.db2.gz OGGMSIPEKKBRDR-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001713194201 1417766193 /nfs/dbraw/zinc/76/61/93/1417766193.db2.gz ZSULRDULYTUWML-OKZBNKHCSA-N 1 3 343.515 3.086 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001713239897 1417825395 /nfs/dbraw/zinc/82/53/95/1417825395.db2.gz ZWDHQPSCTBTNEI-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001713438626 1418071469 /nfs/dbraw/zinc/07/14/69/1418071469.db2.gz GQLXWOCLURKQEZ-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001713438626 1418071472 /nfs/dbraw/zinc/07/14/72/1418071472.db2.gz GQLXWOCLURKQEZ-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001713477744 1418159830 /nfs/dbraw/zinc/15/98/30/1418159830.db2.gz BLROLLRDOGMTEQ-QGZVFWFLSA-N 1 3 333.520 3.259 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C)cc1 ZINC001713477744 1418159833 /nfs/dbraw/zinc/15/98/33/1418159833.db2.gz BLROLLRDOGMTEQ-QGZVFWFLSA-N 1 3 333.520 3.259 10 0 EGAEHO C[C@@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001713674096 1418426312 /nfs/dbraw/zinc/42/63/12/1418426312.db2.gz QJJUKBNMXBEWKW-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978384 1418760086 /nfs/dbraw/zinc/76/00/86/1418760086.db2.gz UTKHIYYQTJFDHA-RBUKOAKNSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978384 1418760088 /nfs/dbraw/zinc/76/00/88/1418760088.db2.gz UTKHIYYQTJFDHA-RBUKOAKNSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001714080951 1418874540 /nfs/dbraw/zinc/87/45/40/1418874540.db2.gz ZNXWFLNDEIWLTL-IBGZPJMESA-N 1 3 349.563 3.293 10 0 EGAEHO CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714104744 1418903510 /nfs/dbraw/zinc/90/35/10/1418903510.db2.gz UJZPJLYKNBEWNH-MOPGFXCFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001714104744 1418903513 /nfs/dbraw/zinc/90/35/13/1418903513.db2.gz UJZPJLYKNBEWNH-MOPGFXCFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001714107553 1418907441 /nfs/dbraw/zinc/90/74/41/1418907441.db2.gz RSVQQCPSIMUUFG-AZUAARDMSA-N 1 3 345.531 3.244 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1 ZINC001714291373 1419070412 /nfs/dbraw/zinc/07/04/12/1419070412.db2.gz SFXHFSHNAMXVSY-UHFFFAOYSA-N 1 3 339.568 3.371 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001714319617 1419098713 /nfs/dbraw/zinc/09/87/13/1419098713.db2.gz LUKYTESAHOEKET-MUFCHLESSA-N 1 3 349.906 3.019 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001714319617 1419098716 /nfs/dbraw/zinc/09/87/16/1419098716.db2.gz LUKYTESAHOEKET-MUFCHLESSA-N 1 3 349.906 3.019 10 0 EGAEHO Cc1ccc(CN(C)CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001714553784 1419281536 /nfs/dbraw/zinc/28/15/36/1419281536.db2.gz BZRCFJWEDDTGFE-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccc(CN(C)CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1 ZINC001714553784 1419281537 /nfs/dbraw/zinc/28/15/37/1419281537.db2.gz BZRCFJWEDDTGFE-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CCCC1)C1CC1 ZINC001714673710 1419465202 /nfs/dbraw/zinc/46/52/02/1419465202.db2.gz NZJDCMKBHXYWRE-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CCCC1)C1CC1 ZINC001714673710 1419465204 /nfs/dbraw/zinc/46/52/04/1419465204.db2.gz NZJDCMKBHXYWRE-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1)N(C)C ZINC001714849278 1419561086 /nfs/dbraw/zinc/56/10/86/1419561086.db2.gz VKUJCUULIDPJDR-QZTJIDSGSA-N 1 3 333.520 3.210 10 0 EGAEHO CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001714861172 1419583233 /nfs/dbraw/zinc/58/32/33/1419583233.db2.gz JABDPDYWFYATAT-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001714991418 1419724009 /nfs/dbraw/zinc/72/40/09/1419724009.db2.gz FWLCXSOPVLNKIR-PMACEKPBSA-N 1 3 347.547 3.118 10 0 EGAEHO CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001715042707 1419782181 /nfs/dbraw/zinc/78/21/81/1419782181.db2.gz FRCMTTDVOCQCNR-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001715188136 1419920637 /nfs/dbraw/zinc/92/06/37/1419920637.db2.gz DOVHLCNQKFTKJW-GUDVDZBRSA-N 1 3 337.552 3.458 10 0 EGAEHO CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001715306741 1420015559 /nfs/dbraw/zinc/01/55/59/1420015559.db2.gz FMNBJELASBQEJH-GOSISDBHSA-N 1 3 337.552 3.458 10 0 EGAEHO CCc1cccc(CN(C)C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001716025856 1420482850 /nfs/dbraw/zinc/48/28/50/1420482850.db2.gz PQYRAXSNJSGZFM-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(CN(C)C[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)c1 ZINC001716025856 1420482851 /nfs/dbraw/zinc/48/28/51/1420482851.db2.gz PQYRAXSNJSGZFM-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC2CC2)c1 ZINC001716076115 1420530326 /nfs/dbraw/zinc/53/03/26/1420530326.db2.gz WGACRUICWIMSQT-WOJBJXKFSA-N 1 3 343.515 3.036 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC001716509128 1420741485 /nfs/dbraw/zinc/74/14/85/1420741485.db2.gz WROFWPWFNDMVKT-QGZVFWFLSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001716509128 1420741486 /nfs/dbraw/zinc/74/14/86/1420741486.db2.gz WROFWPWFNDMVKT-QGZVFWFLSA-N 1 3 341.499 3.117 10 0 EGAEHO Cc1ccc(C)c(C[NH+]2CCC(C)(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001716799347 1420932160 /nfs/dbraw/zinc/93/21/60/1420932160.db2.gz UBGUKWYKDJWOLE-UHFFFAOYSA-N 1 3 345.531 3.114 10 0 EGAEHO CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001717235891 1421204343 /nfs/dbraw/zinc/20/43/43/1421204343.db2.gz CBNSAVGMGBSPPX-CTWPCTMYSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309466 1421251733 /nfs/dbraw/zinc/25/17/33/1421251733.db2.gz NGSLHXBRKWLPOX-FQQSSWHASA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C(C)(C)C1 ZINC001717309466 1421251735 /nfs/dbraw/zinc/25/17/35/1421251735.db2.gz NGSLHXBRKWLPOX-FQQSSWHASA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001717339229 1421277481 /nfs/dbraw/zinc/27/74/81/1421277481.db2.gz QTDHULATMCARFY-AZUAARDMSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001717339229 1421277483 /nfs/dbraw/zinc/27/74/83/1421277483.db2.gz QTDHULATMCARFY-AZUAARDMSA-N 1 3 345.531 3.113 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC=C(C)C ZINC001717361221 1421296163 /nfs/dbraw/zinc/29/61/63/1421296163.db2.gz ISLDJBUXJBYJMP-TZIWHRDSSA-N 1 3 343.515 3.056 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC=C(C)C ZINC001717361221 1421296164 /nfs/dbraw/zinc/29/61/64/1421296164.db2.gz ISLDJBUXJBYJMP-TZIWHRDSSA-N 1 3 343.515 3.056 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC001717490030 1421428372 /nfs/dbraw/zinc/42/83/72/1421428372.db2.gz DNAAXRUVZVJMOV-FUHWJXTLSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001717490030 1421428373 /nfs/dbraw/zinc/42/83/73/1421428373.db2.gz DNAAXRUVZVJMOV-FUHWJXTLSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+]CC1=CCCCC1 ZINC001717516895 1421454236 /nfs/dbraw/zinc/45/42/36/1421454236.db2.gz SCUBETRWMRYLFE-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H](NC(=O)CCCC[NH+]1CCCC1)C1CN(CC2=CCCCC2)C1 ZINC001717564302 1421499251 /nfs/dbraw/zinc/49/92/51/1421499251.db2.gz FGRQMQJLSQYYKF-SFHVURJKSA-N 1 3 347.547 3.189 10 0 EGAEHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717625802 1421534722 /nfs/dbraw/zinc/53/47/22/1421534722.db2.gz VEXWPZNESISSLX-GBESFXJTSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717625802 1421534725 /nfs/dbraw/zinc/53/47/25/1421534725.db2.gz VEXWPZNESISSLX-GBESFXJTSA-N 1 3 349.563 3.124 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001717895482 1421693343 /nfs/dbraw/zinc/69/33/43/1421693343.db2.gz MTQZZFZPIJIHCQ-JJEJIETFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)N(C)C ZINC001717972023 1421743660 /nfs/dbraw/zinc/74/36/60/1421743660.db2.gz YAINEQYFNHWVQW-IAGOWNOFSA-N 1 3 339.568 3.129 10 0 EGAEHO CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001717979855 1421751152 /nfs/dbraw/zinc/75/11/52/1421751152.db2.gz KTYYJWXOEAKBHY-QGZVFWFLSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001717985327 1421758194 /nfs/dbraw/zinc/75/81/94/1421758194.db2.gz FYNITZWCEYBBQB-RNBODJDXSA-N 1 3 337.552 3.146 10 0 EGAEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC001717996419 1421764268 /nfs/dbraw/zinc/76/42/68/1421764268.db2.gz CXINFMNECJYABR-MHJFOBGBSA-N 1 3 345.531 3.229 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001718033513 1421785455 /nfs/dbraw/zinc/78/54/55/1421785455.db2.gz MLIUEYOVVMYWTD-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001718033513 1421785457 /nfs/dbraw/zinc/78/54/57/1421785457.db2.gz MLIUEYOVVMYWTD-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001723039109 1424291887 /nfs/dbraw/zinc/29/18/87/1424291887.db2.gz JXARXNGLMGPCJD-UHFFFAOYSA-N 1 3 345.531 3.232 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001723855173 1424585893 /nfs/dbraw/zinc/58/58/93/1424585893.db2.gz DXJRWCCLSOJMPB-PKOBYXMFSA-N 1 3 349.563 3.410 10 0 EGAEHO CCc1ccccc1[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C(C)C ZINC001724511065 1424887539 /nfs/dbraw/zinc/88/75/39/1424887539.db2.gz DYOYSICPNJXUFA-IBGZPJMESA-N 1 3 345.531 3.279 10 0 EGAEHO CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001733563579 1429762799 /nfs/dbraw/zinc/76/27/99/1429762799.db2.gz SPHGBOGFPSBTGU-REPLKXPHSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001733563579 1429762804 /nfs/dbraw/zinc/76/28/04/1429762804.db2.gz SPHGBOGFPSBTGU-REPLKXPHSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564952 1424916183 /nfs/dbraw/zinc/91/61/83/1424916183.db2.gz VTNSLURYGFLPDI-FXAWDEMLSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564955 1424916500 /nfs/dbraw/zinc/91/65/00/1424916500.db2.gz VTNSLURYGFLPDI-YLJYHZDGSA-N 1 3 345.531 3.379 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001724753126 1425123902 /nfs/dbraw/zinc/12/39/02/1425123902.db2.gz YFVKBZXTZNEWDM-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001724924261 1425315233 /nfs/dbraw/zinc/31/52/33/1425315233.db2.gz XOFSRWQNQZRWEZ-INIZCTEOSA-N 1 3 331.504 3.005 10 0 EGAEHO CC[C@H](C)C[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001724924261 1425315242 /nfs/dbraw/zinc/31/52/42/1425315242.db2.gz XOFSRWQNQZRWEZ-INIZCTEOSA-N 1 3 331.504 3.005 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001725173438 1425684791 /nfs/dbraw/zinc/68/47/91/1425684791.db2.gz BPLAVSOKNJWIQR-KRWDZBQOSA-N 1 3 339.568 3.370 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC001725669152 1426352857 /nfs/dbraw/zinc/35/28/57/1426352857.db2.gz IMLYIYAOUVFIDW-JTHGQSKGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(CCN(C)[C@H](C)c1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001725730154 1426399474 /nfs/dbraw/zinc/39/94/74/1426399474.db2.gz CCEXKDYNEXTBPH-GOSISDBHSA-N 1 3 345.531 3.258 10 0 EGAEHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001731829781 1428037459 /nfs/dbraw/zinc/03/74/59/1428037459.db2.gz SIFDWUMWCISIQZ-ZWKOTPCHSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC001731829781 1428037464 /nfs/dbraw/zinc/03/74/64/1428037464.db2.gz SIFDWUMWCISIQZ-ZWKOTPCHSA-N 1 3 349.544 3.012 10 0 EGAEHO CCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733808873 1430082302 /nfs/dbraw/zinc/08/23/02/1430082302.db2.gz ATQUBUDMCYOUIN-CEXWTWQISA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001733870239 1437696385 /nfs/dbraw/zinc/69/63/85/1437696385.db2.gz QAGLCQAVFJSDIW-UHFFFAOYSA-N 1 3 345.531 3.116 10 0 EGAEHO CC(C)CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001733974231 1437774138 /nfs/dbraw/zinc/77/41/38/1437774138.db2.gz UDALGOAMZTXZEG-IAGOWNOFSA-N 1 3 325.541 3.170 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262027 1437979416 /nfs/dbraw/zinc/97/94/16/1437979416.db2.gz HQUCFFFVSHHCHP-HKUYNNGSSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001734637140 1438196687 /nfs/dbraw/zinc/19/66/87/1438196687.db2.gz NSDIVPUNETXGBM-OALUTQOASA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001734637140 1438196688 /nfs/dbraw/zinc/19/66/88/1438196688.db2.gz NSDIVPUNETXGBM-OALUTQOASA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562059 296122579 /nfs/dbraw/zinc/12/25/79/296122579.db2.gz TZEGYJBNWOOEFH-SJORKVTESA-N 1 3 339.524 3.240 10 0 EGAEHO C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562059 296122580 /nfs/dbraw/zinc/12/25/80/296122580.db2.gz TZEGYJBNWOOEFH-SJORKVTESA-N 1 3 339.524 3.240 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246506926 141012990 /nfs/dbraw/zinc/01/29/90/141012990.db2.gz IAKWDFGPTBNSNS-DZGCQCFKSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246506926 141012991 /nfs/dbraw/zinc/01/29/91/141012991.db2.gz IAKWDFGPTBNSNS-DZGCQCFKSA-N 1 3 342.430 3.459 10 0 EGAEHO c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488491 141122211 /nfs/dbraw/zinc/12/22/11/141122211.db2.gz PHXUQIZSKNZAFA-FQEVSTJZSA-N 1 3 339.483 3.033 10 0 EGAEHO c1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488491 141122212 /nfs/dbraw/zinc/12/22/12/141122212.db2.gz PHXUQIZSKNZAFA-FQEVSTJZSA-N 1 3 339.483 3.033 10 0 EGAEHO c1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488491 141122213 /nfs/dbraw/zinc/12/22/13/141122213.db2.gz PHXUQIZSKNZAFA-FQEVSTJZSA-N 1 3 339.483 3.033 10 0 EGAEHO CN1C[C@@H]2C[N@@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000193638770 153299577 /nfs/dbraw/zinc/29/95/77/153299577.db2.gz RKKVAZJFMZDAIN-OKILXGFUSA-N 1 3 347.915 3.474 10 0 EGAEHO CN1C[C@@H]2C[N@H+](CCSc3ccnc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000193638770 153299580 /nfs/dbraw/zinc/29/95/80/153299580.db2.gz RKKVAZJFMZDAIN-OKILXGFUSA-N 1 3 347.915 3.474 10 0 EGAEHO OCCCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248410802 163001760 /nfs/dbraw/zinc/00/17/60/163001760.db2.gz YIPJPIDFGNKIBG-PCCBWWKXSA-N 1 3 330.516 3.429 10 0 EGAEHO COCC[C@@H](Cc1cccc(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000366886816 168152741 /nfs/dbraw/zinc/15/27/41/168152741.db2.gz OYPPRKXRIKLYQC-HDYDNRTBSA-N 1 3 334.479 3.380 10 0 EGAEHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000337384392 277213834 /nfs/dbraw/zinc/21/38/34/277213834.db2.gz KKDVTJQALGKERE-CEWLAPEOSA-N 1 3 346.515 3.312 10 0 EGAEHO COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000338634252 278020828 /nfs/dbraw/zinc/02/08/28/278020828.db2.gz UZVWZGVPPVQVFG-IOMROCGXSA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCC[N@H+]3C)CCN2C2CC2)c1 ZINC000338634252 278020829 /nfs/dbraw/zinc/02/08/29/278020829.db2.gz UZVWZGVPPVQVFG-IOMROCGXSA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@H]([NH2+]CC[C@@H]3CCCN3C)CCN2C2CC2)c1 ZINC000338634252 278020830 /nfs/dbraw/zinc/02/08/30/278020830.db2.gz UZVWZGVPPVQVFG-IOMROCGXSA-N 1 3 343.515 3.047 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000164973745 288103526 /nfs/dbraw/zinc/10/35/26/288103526.db2.gz NEGMABQUABPCEO-GJGATLCTSA-N 1 3 335.561 3.449 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C ZINC000354425573 279397672 /nfs/dbraw/zinc/39/76/72/279397672.db2.gz JTCYXLKBCGXYQR-FXAWDEMLSA-N 1 3 343.515 3.227 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C ZINC000354425573 279397673 /nfs/dbraw/zinc/39/76/73/279397673.db2.gz JTCYXLKBCGXYQR-FXAWDEMLSA-N 1 3 343.515 3.227 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000249627068 308026967 /nfs/dbraw/zinc/02/69/67/308026967.db2.gz QBBJLDWBEZKANO-HIFRSBDPSA-N 1 3 325.294 3.312 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414816612 309103490 /nfs/dbraw/zinc/10/34/90/309103490.db2.gz QEZISLDLYWNXBH-HUUCEWRRSA-N 1 3 341.455 3.222 10 0 EGAEHO Cc1cccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)ccnc12 ZINC000301642612 308708692 /nfs/dbraw/zinc/70/86/92/308708692.db2.gz BTQZBWUFLGYSRR-MRXNPFEDSA-N 1 3 325.456 3.456 10 0 EGAEHO CCCc1cc(N2CCN(C[C@@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000301769062 308714555 /nfs/dbraw/zinc/71/45/55/308714555.db2.gz CQSNWMMWXDLXDM-KRWDZBQOSA-N 1 3 327.472 3.080 10 0 EGAEHO COc1ccc(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000415081091 309118795 /nfs/dbraw/zinc/11/87/95/309118795.db2.gz JZWGKBAINPRMAU-KURKYZTESA-N 1 3 332.488 3.147 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN([C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000420986802 309305892 /nfs/dbraw/zinc/30/58/92/309305892.db2.gz ZBQRIQOTDQUGEO-NHCUHLMSSA-N 1 3 327.516 3.035 10 0 EGAEHO CCN1CCC([N@H+]2CCCN([C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000420986802 309305893 /nfs/dbraw/zinc/30/58/93/309305893.db2.gz ZBQRIQOTDQUGEO-NHCUHLMSSA-N 1 3 327.516 3.035 10 0 EGAEHO COC[C@@H](CCC[NH3+])NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422795571 309368851 /nfs/dbraw/zinc/36/88/51/309368851.db2.gz HPKHFRPEYNXFBE-QGZVFWFLSA-N 1 3 332.419 3.462 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cnccc1N ZINC000422833444 309370962 /nfs/dbraw/zinc/37/09/62/309370962.db2.gz GWTXBPQLARHAGI-CABCVRRESA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833444 309370963 /nfs/dbraw/zinc/37/09/63/309370963.db2.gz GWTXBPQLARHAGI-CABCVRRESA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833444 309370964 /nfs/dbraw/zinc/37/09/64/309370964.db2.gz GWTXBPQLARHAGI-CABCVRRESA-N 1 3 330.501 3.118 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422871923 309373074 /nfs/dbraw/zinc/37/30/74/309373074.db2.gz DXKLWOUAZVJTCN-KSZLIROESA-N 1 3 331.504 3.174 10 0 EGAEHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(Cl)c1 ZINC000422892393 309374635 /nfs/dbraw/zinc/37/46/35/309374635.db2.gz YGLMHCPOSWAAFO-KUHUBIRLSA-N 1 3 332.875 3.439 10 0 EGAEHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422947303 309377574 /nfs/dbraw/zinc/37/75/74/309377574.db2.gz YEPUUURCSLFSQX-NDXORKPFSA-N 1 3 340.467 3.108 10 0 EGAEHO COC[C@@H](CCC[NH3+])NCc1c(OC(C)C)ccc2ccccc21 ZINC000423052186 309383237 /nfs/dbraw/zinc/38/32/37/309383237.db2.gz PZDNCNOFDPFPBP-QGZVFWFLSA-N 1 3 330.472 3.471 10 0 EGAEHO COC[C@H](CCC[NH3+])NCc1c(OC(C)C)ccc2ccccc21 ZINC000423052185 309383270 /nfs/dbraw/zinc/38/32/70/309383270.db2.gz PZDNCNOFDPFPBP-KRWDZBQOSA-N 1 3 330.472 3.471 10 0 EGAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069310 309384232 /nfs/dbraw/zinc/38/42/32/309384232.db2.gz DQQULAQYQQQHRU-DJIMGWMZSA-N 1 3 340.458 3.016 10 0 EGAEHO c1csc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)n1 ZINC000423093694 309385588 /nfs/dbraw/zinc/38/55/88/309385588.db2.gz ABGPZQMYERGUMT-GVDBMIGSSA-N 1 3 334.533 3.012 10 0 EGAEHO Cc1ccc([C@@H](CCn2cncn2)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000423242517 309391992 /nfs/dbraw/zinc/39/19/92/309391992.db2.gz MCQJCYYELJCCJH-VQTJNVASSA-N 1 3 335.455 3.008 10 0 EGAEHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423390767 309398294 /nfs/dbraw/zinc/39/82/94/309398294.db2.gz KKGDORYAFIBZQP-RVKKMQEKSA-N 1 3 332.492 3.209 10 0 EGAEHO CC[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)[NH+](CC)CC ZINC000447722219 309986758 /nfs/dbraw/zinc/98/67/58/309986758.db2.gz IWIBAUJCKSAFIS-SJORKVTESA-N 1 3 333.476 3.131 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC(C)CC2)CC1 ZINC000449081890 310035441 /nfs/dbraw/zinc/03/54/41/310035441.db2.gz IVURDBRQUNAVBC-FQEVSTJZSA-N 1 3 343.559 3.404 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000449184823 310042978 /nfs/dbraw/zinc/04/29/78/310042978.db2.gz IJGSJUMHRXJBOS-OPYAIIAOSA-N 1 3 341.543 3.297 10 0 EGAEHO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449413474 310059882 /nfs/dbraw/zinc/05/98/82/310059882.db2.gz HGQIAULNUPKQDX-MOPGFXCFSA-N 1 3 336.520 3.495 10 0 EGAEHO COC(=O)[C@@H]1CCCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000449413474 310059883 /nfs/dbraw/zinc/05/98/83/310059883.db2.gz HGQIAULNUPKQDX-MOPGFXCFSA-N 1 3 336.520 3.495 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)C(F)F ZINC000449421363 310060686 /nfs/dbraw/zinc/06/06/86/310060686.db2.gz IMNNAKCPVXFAPQ-SIXLDLHFSA-N 1 3 326.431 3.034 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)C(F)F ZINC000449421363 310060687 /nfs/dbraw/zinc/06/06/87/310060687.db2.gz IMNNAKCPVXFAPQ-SIXLDLHFSA-N 1 3 326.431 3.034 10 0 EGAEHO CN1CCC(C[NH2+][C@@H](C2CC2)C2CCCC2)(N2CCCCC2)CC1 ZINC000453118243 310259174 /nfs/dbraw/zinc/25/91/74/310259174.db2.gz KXGBFCHNOSSVED-HXUWFJFHSA-N 1 3 333.564 3.495 10 0 EGAEHO C[C@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)CN(C)C ZINC000453227057 310265299 /nfs/dbraw/zinc/26/52/99/310265299.db2.gz CGCSSCQTJQWDAI-YGRLFVJLSA-N 1 3 329.257 3.363 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000462791715 310605646 /nfs/dbraw/zinc/60/56/46/310605646.db2.gz LYXHISJITRNEOY-SLFFLAALSA-N 1 3 346.515 3.312 10 0 EGAEHO CCN(C)C[C@H]1CC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395188 313083092 /nfs/dbraw/zinc/08/30/92/313083092.db2.gz BSKQKVWJLHWDIM-KMFTYDHNSA-N 1 3 330.516 3.349 10 0 EGAEHO CCN(C)C[C@H]1CC[N@@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395188 313083094 /nfs/dbraw/zinc/08/30/94/313083094.db2.gz BSKQKVWJLHWDIM-KMFTYDHNSA-N 1 3 330.516 3.349 10 0 EGAEHO CC[N@H+](C)C[C@H]1CCN(CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395188 313083097 /nfs/dbraw/zinc/08/30/97/313083097.db2.gz BSKQKVWJLHWDIM-KMFTYDHNSA-N 1 3 330.516 3.349 10 0 EGAEHO CC[N@@H+](C)C[C@H]1CCN(CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000528395188 313083100 /nfs/dbraw/zinc/08/31/00/313083100.db2.gz BSKQKVWJLHWDIM-KMFTYDHNSA-N 1 3 330.516 3.349 10 0 EGAEHO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000552040963 315192021 /nfs/dbraw/zinc/19/20/21/315192021.db2.gz PHNTXZQNGJDZEL-QRVBRYPASA-N 1 3 329.488 3.388 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H]2CCC[C@H]21 ZINC000552066908 315194872 /nfs/dbraw/zinc/19/48/72/315194872.db2.gz UIHOGEBNLIFBQE-YSIASYRMSA-N 1 3 347.934 3.161 10 0 EGAEHO C[N@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H]2CCC[C@H]21 ZINC000552066908 315194874 /nfs/dbraw/zinc/19/48/74/315194874.db2.gz UIHOGEBNLIFBQE-YSIASYRMSA-N 1 3 347.934 3.161 10 0 EGAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181310244 455316324 /nfs/dbraw/zinc/31/63/24/455316324.db2.gz QTLAUGANNLLRBE-ZWKOTPCHSA-N 1 3 339.487 3.135 10 0 EGAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181310244 455316326 /nfs/dbraw/zinc/31/63/26/455316326.db2.gz QTLAUGANNLLRBE-ZWKOTPCHSA-N 1 3 339.487 3.135 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000623487252 460576371 /nfs/dbraw/zinc/57/63/71/460576371.db2.gz YTHPIUVALGNPLZ-DFQSSKMNSA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@@H]1CC[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076148994 453971277 /nfs/dbraw/zinc/97/12/77/453971277.db2.gz RFFPGVHNTJYSSO-MSOLQXFVSA-N 1 3 343.515 3.019 10 0 EGAEHO CC[C@@H](C)N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000042385771 454009426 /nfs/dbraw/zinc/00/94/26/454009426.db2.gz DMTSJUSGLFEHOY-QGZVFWFLSA-N 1 3 343.515 3.030 10 0 EGAEHO CC[C@H](C)N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000042385773 454009616 /nfs/dbraw/zinc/00/96/16/454009616.db2.gz DMTSJUSGLFEHOY-KRWDZBQOSA-N 1 3 343.515 3.030 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1(C)C ZINC000623575129 460621789 /nfs/dbraw/zinc/62/17/89/460621789.db2.gz LWLQTEQFFRWHFM-PMACEKPBSA-N 1 3 346.515 3.345 10 0 EGAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000105862661 454662113 /nfs/dbraw/zinc/66/21/13/454662113.db2.gz OEOPJRVCOSJLPA-KBPBESRZSA-N 1 3 326.431 3.050 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1)C(C)C ZINC000113222531 454918082 /nfs/dbraw/zinc/91/80/82/454918082.db2.gz VRAUUTCHVUVRDW-PXNSSMCTSA-N 1 3 343.515 3.226 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1)C(C)C ZINC000113222531 454918085 /nfs/dbraw/zinc/91/80/85/454918085.db2.gz VRAUUTCHVUVRDW-PXNSSMCTSA-N 1 3 343.515 3.226 10 0 EGAEHO C[C@@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)cc1 ZINC000127992126 455016211 /nfs/dbraw/zinc/01/62/11/455016211.db2.gz PWLXJJBEKLUIRA-SFHVURJKSA-N 1 3 347.522 3.469 10 0 EGAEHO COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CCN(C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281421 455311943 /nfs/dbraw/zinc/31/19/43/455311943.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281421 455311945 /nfs/dbraw/zinc/31/19/45/455311945.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CCN2C2CC2)c1 ZINC000181281421 455311951 /nfs/dbraw/zinc/31/19/51/455311951.db2.gz BRMVMLLLWSSNNB-UAMLPYHUSA-N 1 3 343.515 3.045 10 0 EGAEHO Cc1nc(F)ccc1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284204127 455650474 /nfs/dbraw/zinc/65/04/74/455650474.db2.gz ZCBABGSLQVISFB-UHFFFAOYSA-N 1 3 343.446 3.292 10 0 EGAEHO CCN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000192692203 455669810 /nfs/dbraw/zinc/66/98/10/455669810.db2.gz NHVHKZNIZXBPMF-UDEWTMQYSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@](C)(O)c1ccsc1 ZINC000268973580 455750650 /nfs/dbraw/zinc/75/06/50/455750650.db2.gz IQFDSKBTIGZFPO-UXPWSPDFSA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@](C)(O)c1ccsc1 ZINC000268973580 455750655 /nfs/dbraw/zinc/75/06/55/455750655.db2.gz IQFDSKBTIGZFPO-UXPWSPDFSA-N 1 3 344.524 3.456 10 0 EGAEHO [NH3+]CC1CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000261753690 455940816 /nfs/dbraw/zinc/94/08/16/455940816.db2.gz CJXRVLSIUXVSOH-UHFFFAOYSA-N 1 3 338.377 3.266 10 0 EGAEHO CC1CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)C1 ZINC000340458837 456473041 /nfs/dbraw/zinc/47/30/41/456473041.db2.gz AXLPCCIRRAROEH-SKINQDTJSA-N 1 3 328.500 3.303 10 0 EGAEHO CSC1(CNCc2cnc(-c3ccccn3)s2)CC[NH+](C)CC1 ZINC000353214787 456565652 /nfs/dbraw/zinc/56/56/52/456565652.db2.gz DHPWSJMMQFVELH-UHFFFAOYSA-N 1 3 348.541 3.122 10 0 EGAEHO CSC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCN(C)CC1 ZINC000353214787 456565658 /nfs/dbraw/zinc/56/56/58/456565658.db2.gz DHPWSJMMQFVELH-UHFFFAOYSA-N 1 3 348.541 3.122 10 0 EGAEHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000337986500 456639385 /nfs/dbraw/zinc/63/93/85/456639385.db2.gz DJJDWHIOTHMHRP-SFTDATJTSA-N 1 3 327.516 3.102 10 0 EGAEHO CN1CCC([C@H]2CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)CC1 ZINC000349189604 456907886 /nfs/dbraw/zinc/90/78/86/456907886.db2.gz MCRGXABCVVCOEG-INIZCTEOSA-N 1 3 330.501 3.098 10 0 EGAEHO CN1CCC([C@H]2CC[N@@H+](Cc3cc(-n4ccnc4)cs3)C2)CC1 ZINC000349189604 456907887 /nfs/dbraw/zinc/90/78/87/456907887.db2.gz MCRGXABCVVCOEG-INIZCTEOSA-N 1 3 330.501 3.098 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000354078336 457047111 /nfs/dbraw/zinc/04/71/11/457047111.db2.gz QBMQWPYLMDMGEC-LJQANCHMSA-N 1 3 327.472 3.168 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000397571578 457488162 /nfs/dbraw/zinc/48/81/62/457488162.db2.gz YVCUWUXNKYSJQI-HBFSDRIKSA-N 1 3 330.516 3.428 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397656688 457490142 /nfs/dbraw/zinc/49/01/42/457490142.db2.gz YOHQHENURMMRJO-UHFFFAOYSA-N 1 3 338.495 3.420 10 0 EGAEHO CN1CCC(C[NH2+][C@H]2CCC[C@@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517676 457647038 /nfs/dbraw/zinc/64/70/38/457647038.db2.gz DFESLMWSHSBTOJ-MOPGFXCFSA-N 1 3 339.543 3.445 10 0 EGAEHO COc1cccc([C@@H](C)[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000375236997 457845245 /nfs/dbraw/zinc/84/52/45/457845245.db2.gz LMAMDKWMSASLME-GOSISDBHSA-N 1 3 345.531 3.106 10 0 EGAEHO Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396693 457977307 /nfs/dbraw/zinc/97/73/07/457977307.db2.gz JAZFIOFHONWRCZ-MAUKXSAKSA-N 1 3 348.512 3.381 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000375794888 458069456 /nfs/dbraw/zinc/06/94/56/458069456.db2.gz WELHMYDXUBYXJX-QYZOEREBSA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000375794888 458069460 /nfs/dbraw/zinc/06/94/60/458069460.db2.gz WELHMYDXUBYXJX-QYZOEREBSA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000375794888 458069469 /nfs/dbraw/zinc/06/94/69/458069469.db2.gz WELHMYDXUBYXJX-QYZOEREBSA-N 1 3 328.504 3.034 10 0 EGAEHO Cc1nc([C@@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)cs1 ZINC000362485149 458209507 /nfs/dbraw/zinc/20/95/07/458209507.db2.gz JYPJOYVAZMPWEJ-OAHLLOKOSA-N 1 3 336.549 3.052 10 0 EGAEHO Cc1nc([C@@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)cs1 ZINC000362485149 458209513 /nfs/dbraw/zinc/20/95/13/458209513.db2.gz JYPJOYVAZMPWEJ-OAHLLOKOSA-N 1 3 336.549 3.052 10 0 EGAEHO c1nc(-c2ccccn2)sc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446891338 458242791 /nfs/dbraw/zinc/24/27/91/458242791.db2.gz XEOGQYKUCIFHRE-UHFFFAOYSA-N 1 3 328.485 3.169 10 0 EGAEHO CC1CC[NH+](CCCCNCc2ccnn2-c2ccccc2)CC1 ZINC000447935797 458368063 /nfs/dbraw/zinc/36/80/63/458368063.db2.gz JUXUOTBATSAZOV-UHFFFAOYSA-N 1 3 326.488 3.474 10 0 EGAEHO Cc1ccc([C@H](Cn2ccnc2)NC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000459442683 458372781 /nfs/dbraw/zinc/37/27/81/458372781.db2.gz CSYLZKOHIDKQKT-NRFANRHFSA-N 1 3 338.499 3.458 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000459474236 458383919 /nfs/dbraw/zinc/38/39/19/458383919.db2.gz CRCBKULSNHCBHM-UHFFFAOYSA-N 1 3 341.543 3.414 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273029 458600857 /nfs/dbraw/zinc/60/08/57/458600857.db2.gz RXSYZDQPMHPSQD-VNXMGFANSA-N 1 3 342.527 3.344 10 0 EGAEHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000424427989 458640428 /nfs/dbraw/zinc/64/04/28/458640428.db2.gz RAVUDYFNDANJCC-RTBURBONSA-N 1 3 338.455 3.021 10 0 EGAEHO CCCCOc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248756 458730910 /nfs/dbraw/zinc/73/09/10/458730910.db2.gz OUCQROHGTHVZAW-OAQYLSRUSA-N 1 3 346.515 3.456 10 0 EGAEHO Cc1cccc2c1ncc(C)c2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432875552 458805437 /nfs/dbraw/zinc/80/54/37/458805437.db2.gz XFGLTOVDYVRIDF-QGZVFWFLSA-N 1 3 327.472 3.186 10 0 EGAEHO Cc1cccc2c1ncc(C)c2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432875552 458805442 /nfs/dbraw/zinc/80/54/42/458805442.db2.gz XFGLTOVDYVRIDF-QGZVFWFLSA-N 1 3 327.472 3.186 10 0 EGAEHO CCC[NH+]1CCC(CNCc2ccnn2-c2ccccc2C)CC1 ZINC000474729935 458899491 /nfs/dbraw/zinc/89/94/91/458899491.db2.gz NRXHFROSFUQASB-UHFFFAOYSA-N 1 3 326.488 3.392 10 0 EGAEHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475146831 458924165 /nfs/dbraw/zinc/92/41/65/458924165.db2.gz ZEYAYXWNMMXKKR-SLFFLAALSA-N 1 3 345.531 3.210 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCOC2CCCC2)CC1 ZINC000531532293 458930844 /nfs/dbraw/zinc/93/08/44/458930844.db2.gz WOIOJRDGQNBETN-UHFFFAOYSA-N 1 3 345.531 3.267 10 0 EGAEHO C[C@H](CCc1n[nH]c2ccccc21)NC1CC([NH+]2CCCCC2)C1 ZINC000475555415 458951778 /nfs/dbraw/zinc/95/17/78/458951778.db2.gz LWKBCEJIDSKEKB-KLAILNCOSA-N 1 3 326.488 3.491 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983907 459012920 /nfs/dbraw/zinc/01/29/20/459012920.db2.gz MEGHLGRYKDJMSX-DLBZAZTESA-N 1 3 331.504 3.459 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983907 459012922 /nfs/dbraw/zinc/01/29/22/459012922.db2.gz MEGHLGRYKDJMSX-DLBZAZTESA-N 1 3 331.504 3.459 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567689689 459146004 /nfs/dbraw/zinc/14/60/04/459146004.db2.gz PDUFHOZEQZIVFS-MQVJKMGUSA-N 1 3 333.451 3.068 10 0 EGAEHO Cc1c(F)cccc1NC(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000567689689 459146008 /nfs/dbraw/zinc/14/60/08/459146008.db2.gz PDUFHOZEQZIVFS-MQVJKMGUSA-N 1 3 333.451 3.068 10 0 EGAEHO CCC[N@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000568050756 459214653 /nfs/dbraw/zinc/21/46/53/459214653.db2.gz DVRHGIGYACLHBQ-VAMGGRTRSA-N 1 3 328.500 3.358 10 0 EGAEHO CCC[N@@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000568050756 459214657 /nfs/dbraw/zinc/21/46/57/459214657.db2.gz DVRHGIGYACLHBQ-VAMGGRTRSA-N 1 3 328.500 3.358 10 0 EGAEHO CC[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCCC1 ZINC000480794395 459219362 /nfs/dbraw/zinc/21/93/62/459219362.db2.gz JALCZYSETDFXLA-NRSPTQNISA-N 1 3 329.532 3.361 10 0 EGAEHO CC[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)N1CCCC1 ZINC000480794393 459219605 /nfs/dbraw/zinc/21/96/05/459219605.db2.gz JALCZYSETDFXLA-HMXCVIKNSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN1CCCC1 ZINC000481325075 459245880 /nfs/dbraw/zinc/24/58/80/459245880.db2.gz SKUPPPFYJGWPMN-SVFBPWRDSA-N 1 3 329.532 3.219 10 0 EGAEHO CC(C)OC[C@H](O)CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000582959698 459458208 /nfs/dbraw/zinc/45/82/08/459458208.db2.gz KBCIEQIBSZLDPS-OAQYLSRUSA-N 1 3 348.531 3.327 10 0 EGAEHO CC(C)OC[C@H](O)CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000582959698 459458214 /nfs/dbraw/zinc/45/82/14/459458214.db2.gz KBCIEQIBSZLDPS-OAQYLSRUSA-N 1 3 348.531 3.327 10 0 EGAEHO COC(=O)c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)s1 ZINC000595901262 459481844 /nfs/dbraw/zinc/48/18/44/459481844.db2.gz UBVIXDPNMYXCKL-HNNXBMFYSA-N 1 3 336.501 3.055 10 0 EGAEHO Cc1ncsc1-c1ccc(C[NH2+]CCCN(C)CCN(C)C)cc1 ZINC000623087425 460407183 /nfs/dbraw/zinc/40/71/83/460407183.db2.gz QUDMDCKKWQPCEQ-UHFFFAOYSA-N 1 3 346.544 3.092 10 0 EGAEHO CC1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cn2)CC1 ZINC000623359815 460508824 /nfs/dbraw/zinc/50/88/24/460508824.db2.gz CJOHSPAMYYPALO-GOSISDBHSA-N 1 3 330.520 3.280 10 0 EGAEHO CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629522326 460794322 /nfs/dbraw/zinc/79/43/22/460794322.db2.gz ZWCMMGDRSUYEBJ-AWEZNQCLSA-N 1 3 332.366 3.134 10 0 EGAEHO C[NH2+]CCOCCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000629529205 460797927 /nfs/dbraw/zinc/79/79/27/460797927.db2.gz VFJSLSAYAFEOFQ-OAHLLOKOSA-N 1 3 349.475 3.152 10 0 EGAEHO CN(C)Cc1ccc(-c2noc(Cc3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000629678073 460864175 /nfs/dbraw/zinc/86/41/75/460864175.db2.gz HJUNFYHPQLPVNB-UHFFFAOYSA-N 1 3 348.450 3.035 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624224099 460917660 /nfs/dbraw/zinc/91/76/60/460917660.db2.gz MNWSWKRMVOSBBF-HBGVWJBISA-N 1 3 328.500 3.239 10 0 EGAEHO Clc1ccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1Cl ZINC000662252510 461143299 /nfs/dbraw/zinc/14/32/99/461143299.db2.gz NMNYROFMLMVZOM-AWEZNQCLSA-N 1 3 341.282 3.479 10 0 EGAEHO Cc1ccc(C)c(OCCN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360644 461154578 /nfs/dbraw/zinc/15/45/78/461154578.db2.gz NKMZXGPLVMIUIC-NLWGTHIKSA-N 1 3 332.488 3.043 10 0 EGAEHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298710 461177067 /nfs/dbraw/zinc/17/70/67/461177067.db2.gz XFXBWYZUXOFCFA-PKOBYXMFSA-N 1 3 343.515 3.342 10 0 EGAEHO Cc1cccc(-c2noc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)c1 ZINC000662316989 461187789 /nfs/dbraw/zinc/18/77/89/461187789.db2.gz YUHJNMPRFLYEOE-NVXWUHKLSA-N 1 3 328.460 3.384 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000646697065 461374870 /nfs/dbraw/zinc/37/48/70/461374870.db2.gz SSXRTFGVIZKFNF-GBESFXJTSA-N 1 3 331.504 3.224 10 0 EGAEHO COc1cc([C@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)ccn1 ZINC000655779479 461443816 /nfs/dbraw/zinc/44/38/16/461443816.db2.gz MFDOVKYSVXMENE-IPELMVKDSA-N 1 3 325.456 3.086 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655907733 461529563 /nfs/dbraw/zinc/52/95/63/461529563.db2.gz NGFXYPYFRVTLDO-UHFFFAOYSA-N 1 3 332.492 3.134 10 0 EGAEHO Cc1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000631084085 461533854 /nfs/dbraw/zinc/53/38/54/461533854.db2.gz RMSQIWPPNPRXPH-UHFFFAOYSA-N 1 3 343.471 3.144 10 0 EGAEHO C[N@@H+]1C[C@@H](CN[C@H]2CCN(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000647248919 461589608 /nfs/dbraw/zinc/58/96/08/461589608.db2.gz OYNKBKQGSNSYQR-URVUXULASA-N 1 3 335.495 3.200 10 0 EGAEHO C[N@H+]1C[C@@H](CN[C@H]2CCN(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000647248919 461589614 /nfs/dbraw/zinc/58/96/14/461589614.db2.gz OYNKBKQGSNSYQR-URVUXULASA-N 1 3 335.495 3.200 10 0 EGAEHO CC(C)C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000647290036 461614905 /nfs/dbraw/zinc/61/49/05/461614905.db2.gz TZDBDFKGMLSBGR-PXNSSMCTSA-N 1 3 331.504 3.259 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000656200587 461646448 /nfs/dbraw/zinc/64/64/48/461646448.db2.gz AOVUSFVJGCGWJB-CUDHKJQZSA-N 1 3 330.472 3.180 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000643294041 461671752 /nfs/dbraw/zinc/67/17/52/461671752.db2.gz GOTGVSQWYRFUCZ-QGZVFWFLSA-N 1 3 334.529 3.250 10 0 EGAEHO Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)n1 ZINC000643466209 461736356 /nfs/dbraw/zinc/73/63/56/461736356.db2.gz CWLGKAOEOJAGDI-YXYCDRMUSA-N 1 3 332.492 3.305 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCO2)cc1 ZINC000656405401 461736522 /nfs/dbraw/zinc/73/65/22/461736522.db2.gz PVVKKVHAZDSPHX-QSUVIHHLSA-N 1 3 326.484 3.008 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@H]2CCCO2)cc1 ZINC000656405401 461736529 /nfs/dbraw/zinc/73/65/29/461736529.db2.gz PVVKKVHAZDSPHX-QSUVIHHLSA-N 1 3 326.484 3.008 10 0 EGAEHO c1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000639337732 461869136 /nfs/dbraw/zinc/86/91/36/461869136.db2.gz OKVPDLVUBLFFGO-PMACEKPBSA-N 1 3 327.516 3.225 10 0 EGAEHO Cc1c([C@H](C)NCCC2(C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000650744810 461929037 /nfs/dbraw/zinc/92/90/37/461929037.db2.gz WDOZUZQBLOTUNW-LBPRGKRZSA-N 1 3 333.867 3.009 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000650760057 461940805 /nfs/dbraw/zinc/94/08/05/461940805.db2.gz WEFLTQWKOAOTCU-AWEZNQCLSA-N 1 3 344.455 3.283 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccnn2-c2ccncc2)C1 ZINC000657311956 462035834 /nfs/dbraw/zinc/03/58/34/462035834.db2.gz ACGHOVAROIIGMS-QZTJIDSGSA-N 1 3 341.503 3.115 10 0 EGAEHO CCCc1cccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657598099 462198747 /nfs/dbraw/zinc/19/87/47/462198747.db2.gz YESYRDHQTMDXHD-JOCHJYFZSA-N 1 3 338.495 3.496 10 0 EGAEHO CCCc1cccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657598099 462198754 /nfs/dbraw/zinc/19/87/54/462198754.db2.gz YESYRDHQTMDXHD-JOCHJYFZSA-N 1 3 338.495 3.496 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657597681 462198920 /nfs/dbraw/zinc/19/89/20/462198920.db2.gz WLGZZXYWYWNLBT-IERDGZPVSA-N 1 3 342.458 3.113 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000648745127 462258216 /nfs/dbraw/zinc/25/82/16/462258216.db2.gz IRUJTZJZJSTOGA-KVPLUYHFSA-N 1 3 343.515 3.011 10 0 EGAEHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000648745127 462258220 /nfs/dbraw/zinc/25/82/20/462258220.db2.gz IRUJTZJZJSTOGA-KVPLUYHFSA-N 1 3 343.515 3.011 10 0 EGAEHO CN1CCC(Oc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)CC1 ZINC000658008020 462345647 /nfs/dbraw/zinc/34/56/47/462345647.db2.gz YQNXTGVEEIQUMS-UHFFFAOYSA-N 1 3 338.442 3.337 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143126 462404566 /nfs/dbraw/zinc/40/45/66/462404566.db2.gz WSZXKIPRODJPJI-UWJYYQICSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143126 462404572 /nfs/dbraw/zinc/40/45/72/462404572.db2.gz WSZXKIPRODJPJI-UWJYYQICSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142194 462405374 /nfs/dbraw/zinc/40/53/74/462405374.db2.gz VDCDQPPRVIWVFR-PZJWPPBQSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142194 462405379 /nfs/dbraw/zinc/40/53/79/462405379.db2.gz VDCDQPPRVIWVFR-PZJWPPBQSA-N 1 3 340.442 3.169 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142169 462405611 /nfs/dbraw/zinc/40/56/11/462405611.db2.gz YYZHSOAEUZEZJW-XJKSGUPXSA-N 1 3 326.431 3.023 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142712 462405632 /nfs/dbraw/zinc/40/56/32/462405632.db2.gz WDVLGFTYMHKIHZ-PZJWPPBQSA-N 1 3 340.442 3.169 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142712 462405641 /nfs/dbraw/zinc/40/56/41/462405641.db2.gz WDVLGFTYMHKIHZ-PZJWPPBQSA-N 1 3 340.442 3.169 10 0 EGAEHO CCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000649305787 462474770 /nfs/dbraw/zinc/47/47/70/462474770.db2.gz ARUBBNMTQXTXGL-SJLPKXTDSA-N 1 3 331.504 3.188 10 0 EGAEHO C[C@@H](O)[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360286 462490097 /nfs/dbraw/zinc/49/00/97/462490097.db2.gz HSHBVRAEIVAFBV-FVJLSDCUSA-N 1 3 342.483 3.400 10 0 EGAEHO CCN(CC)C(=O)C[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170676783 528035040 /nfs/dbraw/zinc/03/50/40/528035040.db2.gz WOGQICDMYVOJLF-KRWDZBQOSA-N 1 3 331.504 3.019 10 0 EGAEHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3cnccc32)C[C@H](C)O1 ZINC000181505901 547068988 /nfs/dbraw/zinc/06/89/88/547068988.db2.gz DJJSBLZENQRTRD-IRXDYDNUSA-N 1 3 327.472 3.214 10 0 EGAEHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000383697007 547821470 /nfs/dbraw/zinc/82/14/70/547821470.db2.gz ROXMITOBUIGQHZ-WRTQPQOASA-N 1 3 328.500 3.444 10 0 EGAEHO c1cc(-c2ccc(N3CCNCC3)nc2)ccc1C[NH+]1CCCCC1 ZINC000204321013 574700542 /nfs/dbraw/zinc/70/05/42/574700542.db2.gz QNMNAHZGKHVCPQ-UHFFFAOYSA-N 1 3 336.483 3.144 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000683721021 576190606 /nfs/dbraw/zinc/19/06/06/576190606.db2.gz NYBZQLBZAGERNP-HNNXBMFYSA-N 1 3 330.394 3.401 10 0 EGAEHO FC(F)(F)COc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000237696514 1296259126 /nfs/dbraw/zinc/25/91/26/1296259126.db2.gz CKXZVLHHTPKBTR-AWEZNQCLSA-N 1 3 328.378 3.202 10 0 EGAEHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000872084016 1296723879 /nfs/dbraw/zinc/72/38/79/1296723879.db2.gz CMZVJERTJRJAIT-WOJBJXKFSA-N 1 3 331.504 3.088 10 0 EGAEHO C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc([O-])c1F ZINC000872085078 1296726213 /nfs/dbraw/zinc/72/62/13/1296726213.db2.gz NIUFXHLPARFYHU-CQSZACIVSA-N 1 3 336.451 3.073 10 0 EGAEHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C)CCCCCC[NH3+] ZINC000872155188 1296773549 /nfs/dbraw/zinc/77/35/49/1296773549.db2.gz GMLHRFZHBFGAAT-HNNXBMFYSA-N 1 3 339.911 3.310 10 0 EGAEHO C[NH2+]C[C@@H]1CCCN([C@H](C)Cc2ccc(Br)cc2)C1 ZINC000300530587 1296783530 /nfs/dbraw/zinc/78/35/30/1296783530.db2.gz OZPIKKIZPUPIFF-HIFRSBDPSA-N 1 3 325.294 3.312 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC000388476682 1297602126 /nfs/dbraw/zinc/60/21/26/1297602126.db2.gz RZHWVULMNLNGNE-HIFRSBDPSA-N 1 3 325.294 3.441 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC000388476682 1297602137 /nfs/dbraw/zinc/60/21/37/1297602137.db2.gz RZHWVULMNLNGNE-HIFRSBDPSA-N 1 3 325.294 3.441 10 0 EGAEHO C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CCN1Cc1ccccc1 ZINC000396657331 1297690856 /nfs/dbraw/zinc/69/08/56/1297690856.db2.gz WUXFHUITZDHTFW-SFHVURJKSA-N 1 3 335.495 3.039 10 0 EGAEHO c1csc(CN2CCC[C@@H](C[NH2+][C@@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850837 1328603216 /nfs/dbraw/zinc/60/32/16/1328603216.db2.gz ALQXCQJTDZXYCA-WMLDXEAASA-N 1 3 330.501 3.350 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110690 1328685401 /nfs/dbraw/zinc/68/54/01/1328685401.db2.gz YCRUXRLAOXNTJD-SWLSCSKDSA-N 1 3 330.394 3.201 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439572 1325150408 /nfs/dbraw/zinc/15/04/08/1325150408.db2.gz MTXMWYBEERQBHU-KSZLIROESA-N 1 3 348.535 3.223 10 0 EGAEHO CN(C)[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(F)cc1 ZINC000925480526 1325168957 /nfs/dbraw/zinc/16/89/57/1325168957.db2.gz FVNGIAUVQNKQSA-SLFFLAALSA-N 1 3 333.495 3.186 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925487831 1325174427 /nfs/dbraw/zinc/17/44/27/1325174427.db2.gz XORGSFHPWJXGOC-ARKSPBFVSA-N 1 3 349.469 3.157 10 0 EGAEHO COc1ccccc1[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500493 1325179598 /nfs/dbraw/zinc/17/95/98/1325179598.db2.gz CYLQJWLIMOYAQM-AOIWGVFYSA-N 1 3 345.531 3.328 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925574578 1325216513 /nfs/dbraw/zinc/21/65/13/1325216513.db2.gz RVLYVDUHOSSVMV-FCDRMGDPSA-N 1 3 334.479 3.396 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925574578 1325216518 /nfs/dbraw/zinc/21/65/18/1325216518.db2.gz RVLYVDUHOSSVMV-FCDRMGDPSA-N 1 3 334.479 3.396 10 0 EGAEHO C[C@H](Cc1ccc(F)c(Br)c1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925584036 1325220587 /nfs/dbraw/zinc/22/05/87/1325220587.db2.gz OWCVXJZYJBWENB-VCTAVGKDSA-N 1 3 341.268 3.379 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925600373 1325228565 /nfs/dbraw/zinc/22/85/65/1325228565.db2.gz VNUSWSZIAFWBPB-CVEARBPZSA-N 1 3 333.545 3.322 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925600373 1325228573 /nfs/dbraw/zinc/22/85/73/1325228573.db2.gz VNUSWSZIAFWBPB-CVEARBPZSA-N 1 3 333.545 3.322 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000925605291 1325230115 /nfs/dbraw/zinc/23/01/15/1325230115.db2.gz DYDPMIUHCBFMBL-OALUTQOASA-N 1 3 346.515 3.378 10 0 EGAEHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1Cl ZINC000925619065 1325232424 /nfs/dbraw/zinc/23/24/24/1325232424.db2.gz KUTCKSYXAWNYLG-OVZMXSCWSA-N 1 3 328.859 3.397 10 0 EGAEHO C[C@H](O)[C@](C)(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925659533 1325253755 /nfs/dbraw/zinc/25/37/55/1325253755.db2.gz WAHJYWNJGOJTKO-MQGJPIDWSA-N 1 3 344.543 3.374 10 0 EGAEHO Cc1nc(C)c([C@@H](C)NCc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925808547 1325310431 /nfs/dbraw/zinc/31/04/31/1325310431.db2.gz MEBIIGCWFRGKOI-CQSZACIVSA-N 1 3 344.528 3.016 10 0 EGAEHO CCSc1ccccc1[C@@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850043 1325329485 /nfs/dbraw/zinc/32/94/85/1325329485.db2.gz GTDPABUKEFPTOZ-CABCVRRESA-N 1 3 348.512 3.135 10 0 EGAEHO Cc1ccc([C@@H](NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858509 1325332719 /nfs/dbraw/zinc/33/27/19/1325332719.db2.gz UIHJZQSLXBZCEE-AEFFLSMTSA-N 1 3 346.471 3.094 10 0 EGAEHO N[C@H]1CCC[C@@H]1[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925872982 1325338024 /nfs/dbraw/zinc/33/80/24/1325338024.db2.gz CKUSJXAQCKIAMR-HOTGVXAUSA-N 1 3 342.393 3.249 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)ccn1 ZINC000926692697 1327670819 /nfs/dbraw/zinc/67/08/19/1327670819.db2.gz IWDDMSNAQZHKMT-RTWAWAEBSA-N 1 3 343.515 3.088 10 0 EGAEHO CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926693776 1327670838 /nfs/dbraw/zinc/67/08/38/1327670838.db2.gz PXILMCZQKMFEFO-VQTJNVASSA-N 1 3 333.520 3.213 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c1 ZINC001323441678 1387370510 /nfs/dbraw/zinc/37/05/10/1387370510.db2.gz JBPRICJACMLWNZ-HKUYNNGSSA-N 1 3 343.515 3.167 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860703 1387481731 /nfs/dbraw/zinc/48/17/31/1387481731.db2.gz UKFRUWGVJHTXLM-BVUSGXHMSA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001323860703 1387481736 /nfs/dbraw/zinc/48/17/36/1387481736.db2.gz UKFRUWGVJHTXLM-BVUSGXHMSA-N 1 3 349.563 3.243 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001324090958 1387537998 /nfs/dbraw/zinc/53/79/98/1387537998.db2.gz SBYWRAGLBYFFJR-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1CN(C[C@H](O)c2cccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001197368933 1368799816 /nfs/dbraw/zinc/79/98/16/1368799816.db2.gz PLHYBIUXOMACLN-JTSKRJEESA-N 1 3 347.462 3.479 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001325628273 1388014354 /nfs/dbraw/zinc/01/43/54/1388014354.db2.gz BCXDYTRYPHUDBB-OKYOBFRVSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001325628273 1388014360 /nfs/dbraw/zinc/01/43/60/1388014360.db2.gz BCXDYTRYPHUDBB-OKYOBFRVSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)N(C)C ZINC001325628905 1388015092 /nfs/dbraw/zinc/01/50/92/1388015092.db2.gz GNEIJVAVGCSJKV-YRPNKDGESA-N 1 3 347.547 3.186 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)N(C)C ZINC001325628905 1388015098 /nfs/dbraw/zinc/01/50/98/1388015098.db2.gz GNEIJVAVGCSJKV-YRPNKDGESA-N 1 3 347.547 3.186 10 0 EGAEHO Cc1cnc2ccccc2c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001118597540 1371204251 /nfs/dbraw/zinc/20/42/51/1371204251.db2.gz ZSSZTODJHHZYMM-UHFFFAOYSA-N 1 3 325.456 3.234 10 0 EGAEHO Cc1cnc2ccccc2c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC001118597540 1371204252 /nfs/dbraw/zinc/20/42/52/1371204252.db2.gz ZSSZTODJHHZYMM-UHFFFAOYSA-N 1 3 325.456 3.234 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146145 1388404580 /nfs/dbraw/zinc/40/45/80/1388404580.db2.gz IPXGPZMYTNUCSJ-VXOKQSJXSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146145 1388404581 /nfs/dbraw/zinc/40/45/81/1388404581.db2.gz IPXGPZMYTNUCSJ-VXOKQSJXSA-N 1 3 337.552 3.290 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001327157807 1388413401 /nfs/dbraw/zinc/41/34/01/1388413401.db2.gz VCNVLDFELBZECV-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001327157807 1388413403 /nfs/dbraw/zinc/41/34/03/1388413403.db2.gz VCNVLDFELBZECV-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001327164798 1388417764 /nfs/dbraw/zinc/41/77/64/1388417764.db2.gz WLYRGDBZSCCZEA-VQTJNVASSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001327164798 1388417769 /nfs/dbraw/zinc/41/77/69/1388417769.db2.gz WLYRGDBZSCCZEA-VQTJNVASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)[C@@H]1C ZINC001264169877 1377140373 /nfs/dbraw/zinc/14/03/73/1377140373.db2.gz ZFILHNSNKXIYAG-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)[C@@H]1C ZINC001264169877 1377140374 /nfs/dbraw/zinc/14/03/74/1377140374.db2.gz ZFILHNSNKXIYAG-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1c(C)ccc2ccccc21)N(C)C ZINC001266741481 1377371414 /nfs/dbraw/zinc/37/14/14/1377371414.db2.gz WAKPFTAELBXDDF-HXUWFJFHSA-N 1 3 341.499 3.036 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001267182214 1377428284 /nfs/dbraw/zinc/42/82/84/1377428284.db2.gz WYWAITFYGNSXNY-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001267182214 1377428287 /nfs/dbraw/zinc/42/82/87/1377428287.db2.gz WYWAITFYGNSXNY-IBGZPJMESA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001269447480 1377554396 /nfs/dbraw/zinc/55/43/96/1377554396.db2.gz CADIAEDFJDAHKJ-XGCMIMOYSA-N 1 3 343.515 3.059 10 0 EGAEHO Cc1cccc(CN(C)CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001272152604 1377658411 /nfs/dbraw/zinc/65/84/11/1377658411.db2.gz YVOBOABMXUQNON-VQTJNVASSA-N 1 3 345.531 3.006 10 0 EGAEHO C[C@@H](CCC[NH2+]CC1CCC(C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001277209873 1378210778 /nfs/dbraw/zinc/21/07/78/1378210778.db2.gz HPIPGQYFBXGFBA-ADKAHSJRSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C(C)(C)C ZINC001278979360 1378294836 /nfs/dbraw/zinc/29/48/36/1378294836.db2.gz ZALHALICOVGUAN-QZTJIDSGSA-N 1 3 339.568 3.273 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001327542602 1388556699 /nfs/dbraw/zinc/55/66/99/1388556699.db2.gz XQCSKKATMMIBSH-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CC(CC)CC)C2)C1 ZINC001327542602 1388556700 /nfs/dbraw/zinc/55/67/00/1388556700.db2.gz XQCSKKATMMIBSH-FQEVSTJZSA-N 1 3 337.552 3.079 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001283344479 1378829621 /nfs/dbraw/zinc/82/96/21/1378829621.db2.gz RUHKSJUYVNLLPK-KRWDZBQOSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001283344479 1378829624 /nfs/dbraw/zinc/82/96/24/1378829624.db2.gz RUHKSJUYVNLLPK-KRWDZBQOSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001327685182 1388581502 /nfs/dbraw/zinc/58/15/02/1388581502.db2.gz KWXBPTVDGTWMNB-UHFFFAOYSA-N 1 3 343.515 3.149 10 0 EGAEHO CC(C)CC[N@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001327685182 1388581504 /nfs/dbraw/zinc/58/15/04/1388581504.db2.gz KWXBPTVDGTWMNB-UHFFFAOYSA-N 1 3 343.515 3.149 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001284088130 1379454603 /nfs/dbraw/zinc/45/46/03/1379454603.db2.gz UGUWYEPMFGQXPO-CEXWTWQISA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001151359503 1379705209 /nfs/dbraw/zinc/70/52/09/1379705209.db2.gz NZQOLTXSVJFWEO-WOJBJXKFSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001151359503 1379705215 /nfs/dbraw/zinc/70/52/15/1379705215.db2.gz NZQOLTXSVJFWEO-WOJBJXKFSA-N 1 3 345.531 3.134 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCCCC2)CC1 ZINC001327971057 1388636619 /nfs/dbraw/zinc/63/66/19/1388636619.db2.gz WVCURXQUVZXCJM-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001284529688 1379934364 /nfs/dbraw/zinc/93/43/64/1379934364.db2.gz KQGBCJVACQEFRD-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001284529688 1379934368 /nfs/dbraw/zinc/93/43/68/1379934368.db2.gz KQGBCJVACQEFRD-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001284684045 1380094095 /nfs/dbraw/zinc/09/40/95/1380094095.db2.gz KCPAUSPQASYQTF-CWHLKURSSA-N 1 3 349.563 3.432 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001284724330 1380145193 /nfs/dbraw/zinc/14/51/93/1380145193.db2.gz VHYBPIQEFFYPQI-MGBKSAOESA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC001328087243 1388667614 /nfs/dbraw/zinc/66/76/14/1388667614.db2.gz XVJNEJKZXABQSU-SJORKVTESA-N 1 3 326.488 3.470 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001328112209 1388676390 /nfs/dbraw/zinc/67/63/90/1388676390.db2.gz CGTUMWJRJWITQJ-HKUYNNGSSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001328112209 1388676391 /nfs/dbraw/zinc/67/63/91/1388676391.db2.gz CGTUMWJRJWITQJ-HKUYNNGSSA-N 1 3 345.531 3.305 10 0 EGAEHO CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001328781405 1388859235 /nfs/dbraw/zinc/85/92/35/1388859235.db2.gz SKJQLJQPRIKHKS-LJQANCHMSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001328781405 1388859239 /nfs/dbraw/zinc/85/92/39/1388859239.db2.gz SKJQLJQPRIKHKS-LJQANCHMSA-N 1 3 337.552 3.221 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001316663898 1384510632 /nfs/dbraw/zinc/51/06/32/1384510632.db2.gz KDYLXRSGBOLOBL-SXLOBPIMSA-N 1 3 345.531 3.018 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001316772883 1384571183 /nfs/dbraw/zinc/57/11/83/1384571183.db2.gz LWBZDKCGMLHEKJ-YHWKNFMLSA-N 1 3 343.943 3.078 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001316936911 1384708676 /nfs/dbraw/zinc/70/86/76/1384708676.db2.gz IJPXAWKBPVSLBH-QGZVFWFLSA-N 1 3 331.504 3.011 10 0 EGAEHO CN(C(=O)CCC[NH+]1CCCC1)C1CCN(Cc2ccsc2)CC1 ZINC001316937277 1384708735 /nfs/dbraw/zinc/70/87/35/1384708735.db2.gz MNQILPMRQMEGSC-UHFFFAOYSA-N 1 3 349.544 3.047 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCCC3CCC3)C2)C1 ZINC001317042944 1384816591 /nfs/dbraw/zinc/81/65/91/1384816591.db2.gz LNVUGHCUYCRVDM-AZUAARDMSA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCCC3CCC3)C2)C1 ZINC001317042944 1384816593 /nfs/dbraw/zinc/81/65/93/1384816593.db2.gz LNVUGHCUYCRVDM-AZUAARDMSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317169335 1384934254 /nfs/dbraw/zinc/93/42/54/1384934254.db2.gz ZIDAAALKCBEDJI-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001317192997 1384967376 /nfs/dbraw/zinc/96/73/76/1384967376.db2.gz RDMKXEWJABJMHE-UXCKKACVSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1)N(C)C ZINC001317220575 1385000997 /nfs/dbraw/zinc/00/09/97/1385000997.db2.gz YCGRZDGKDLOEOJ-CTWPCTMYSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001317411150 1385122217 /nfs/dbraw/zinc/12/22/17/1385122217.db2.gz BSECYTKFPFBUAU-DOTOQJQBSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@H](c1ccccc1)N(C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317452593 1385150896 /nfs/dbraw/zinc/15/08/96/1385150896.db2.gz GGWZNFUHTUDCAE-QGZVFWFLSA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@H](c1ccccc1)N(C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317452593 1385150898 /nfs/dbraw/zinc/15/08/98/1385150898.db2.gz GGWZNFUHTUDCAE-QGZVFWFLSA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@@H]1C[N@H+](C[C@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774463 1385400510 /nfs/dbraw/zinc/40/05/10/1385400510.db2.gz CZLYGZBJSKKGAC-QZTJIDSGSA-N 1 3 329.488 3.189 10 0 EGAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774463 1385400512 /nfs/dbraw/zinc/40/05/12/1385400512.db2.gz CZLYGZBJSKKGAC-QZTJIDSGSA-N 1 3 329.488 3.189 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001317688749 1385401131 /nfs/dbraw/zinc/40/11/31/1385401131.db2.gz ZLDKFVBOJJRCMU-AEFFLSMTSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723355 1385423904 /nfs/dbraw/zinc/42/39/04/1385423904.db2.gz GBEWVQNYTIGTQK-WOJBJXKFSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317802714 1385497752 /nfs/dbraw/zinc/49/77/52/1385497752.db2.gz YONOQZKCGYIUGI-VQTJNVASSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317802714 1385497754 /nfs/dbraw/zinc/49/77/54/1385497754.db2.gz YONOQZKCGYIUGI-VQTJNVASSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001317863880 1385548857 /nfs/dbraw/zinc/54/88/57/1385548857.db2.gz QKIQFRBXZMJPBZ-IBGZPJMESA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001317863880 1385548859 /nfs/dbraw/zinc/54/88/59/1385548859.db2.gz QKIQFRBXZMJPBZ-IBGZPJMESA-N 1 3 349.563 3.077 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001317934420 1385574754 /nfs/dbraw/zinc/57/47/54/1385574754.db2.gz XSHKXKZAXWLFHA-LXORQPIJSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001317934420 1385574757 /nfs/dbraw/zinc/57/47/57/1385574757.db2.gz XSHKXKZAXWLFHA-LXORQPIJSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)C ZINC001318568622 1385761983 /nfs/dbraw/zinc/76/19/83/1385761983.db2.gz BEFQNIXBLUOQEM-QFBILLFUSA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCCC2CCC2)CCCC1)N1CCCC1 ZINC001319369502 1386085319 /nfs/dbraw/zinc/08/53/19/1386085319.db2.gz QFZSAUJPVXAATB-UHFFFAOYSA-N 1 3 349.563 3.460 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698636943 1406282900 /nfs/dbraw/zinc/28/29/00/1406282900.db2.gz YZAGYTCMCWDJNF-CALCHBBNSA-N 1 3 335.536 3.068 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698636944 1406283190 /nfs/dbraw/zinc/28/31/90/1406283190.db2.gz YZAGYTCMCWDJNF-IAGOWNOFSA-N 1 3 335.536 3.068 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001320049100 1386475171 /nfs/dbraw/zinc/47/51/71/1386475171.db2.gz COYFETQQEZPXCS-IBGZPJMESA-N 1 3 333.520 3.040 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C(C)C)cc1)N(C)C ZINC001320049100 1386475177 /nfs/dbraw/zinc/47/51/77/1386475177.db2.gz COYFETQQEZPXCS-IBGZPJMESA-N 1 3 333.520 3.040 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001321662766 1386952241 /nfs/dbraw/zinc/95/22/41/1386952241.db2.gz JLXOGXGUNIPUMZ-VQIMIIECSA-N 1 3 349.494 3.013 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001322793330 1387238582 /nfs/dbraw/zinc/23/85/82/1387238582.db2.gz RUOLIPIGYWXCNE-QGZVFWFLSA-N 1 3 347.528 3.180 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001322852355 1387246888 /nfs/dbraw/zinc/24/68/88/1387246888.db2.gz MYWWQTVOPUNJAC-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCCC1 ZINC001329460231 1389118111 /nfs/dbraw/zinc/11/81/11/1389118111.db2.gz PKLAOIDBDVMVON-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001329460231 1389118114 /nfs/dbraw/zinc/11/81/14/1389118114.db2.gz PKLAOIDBDVMVON-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[NH2+][C@H](CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001329759136 1389219646 /nfs/dbraw/zinc/21/96/46/1389219646.db2.gz ALDVWXJXSIUMDQ-APWZRJJASA-N 1 3 343.531 3.070 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C)N(C)C ZINC001329923856 1389260899 /nfs/dbraw/zinc/26/08/99/1389260899.db2.gz PVQFYHMVWLJYGF-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)(C)C)N(C)C ZINC001329923856 1389260903 /nfs/dbraw/zinc/26/09/03/1389260903.db2.gz PVQFYHMVWLJYGF-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001329998689 1389282259 /nfs/dbraw/zinc/28/22/59/1389282259.db2.gz UWLVNBVROFIDCV-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1ccc(CN2C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)cc1 ZINC001330245683 1389364378 /nfs/dbraw/zinc/36/43/78/1389364378.db2.gz WUZJPJJPKOWLEE-LJQANCHMSA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001331358174 1389717524 /nfs/dbraw/zinc/71/75/24/1389717524.db2.gz AOTQPMGMCZDNAJ-IBGZPJMESA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001331617458 1389831973 /nfs/dbraw/zinc/83/19/73/1389831973.db2.gz UKIGACDLDQWRDQ-WMLDXEAASA-N 1 3 347.528 3.178 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001331643529 1389842417 /nfs/dbraw/zinc/84/24/17/1389842417.db2.gz IOEWEXGAZHFRMJ-QGZVFWFLSA-N 1 3 333.520 3.087 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC001332031169 1389952848 /nfs/dbraw/zinc/95/28/48/1389952848.db2.gz JNOZCUHVMONLFE-AZUAARDMSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C ZINC001332740319 1390177060 /nfs/dbraw/zinc/17/70/60/1390177060.db2.gz HODJESJAQPEBLP-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C ZINC001332740319 1390177061 /nfs/dbraw/zinc/17/70/61/1390177061.db2.gz HODJESJAQPEBLP-UHFFFAOYSA-N 1 3 347.547 3.312 10 0 EGAEHO CC1(C)CCN(C(=O)c2cccc(CN3CCCC3)c2)CC(C)(C)[NH2+]1 ZINC001348213111 1391186740 /nfs/dbraw/zinc/18/67/40/1391186740.db2.gz OKBZBNHGINLXRA-UHFFFAOYSA-N 1 3 343.515 3.275 10 0 EGAEHO C[C@@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001479259804 1392199993 /nfs/dbraw/zinc/19/99/93/1392199993.db2.gz CLYCDXGXKGXWSU-HKUYNNGSSA-N 1 3 331.504 3.012 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001479488018 1392255174 /nfs/dbraw/zinc/25/51/74/1392255174.db2.gz FGMMWRQNZDLHMB-ZWKOTPCHSA-N 1 3 346.519 3.106 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001479500464 1392257845 /nfs/dbraw/zinc/25/78/45/1392257845.db2.gz FWOQWIJVYHBFLT-IDPBEMBBSA-N 1 3 349.563 3.386 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001479693737 1392325066 /nfs/dbraw/zinc/32/50/66/1392325066.db2.gz DDFNYLINYKATKQ-UYAOXDASSA-N 1 3 345.531 3.450 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H]1C)N(C)C ZINC001479718291 1392336659 /nfs/dbraw/zinc/33/66/59/1392336659.db2.gz GBDHNGMLGAXNQE-NZSAHSFTSA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@@H]1C)N(C)C ZINC001479718291 1392336661 /nfs/dbraw/zinc/33/66/61/1392336661.db2.gz GBDHNGMLGAXNQE-NZSAHSFTSA-N 1 3 349.563 3.122 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001479747987 1392365653 /nfs/dbraw/zinc/36/56/53/1392365653.db2.gz KNCBYGGFQFUMSV-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001479747987 1392365655 /nfs/dbraw/zinc/36/56/55/1392365655.db2.gz KNCBYGGFQFUMSV-IBGZPJMESA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001480045636 1392549385 /nfs/dbraw/zinc/54/93/85/1392549385.db2.gz ZBTKDDFGCYQWFC-RTBURBONSA-N 1 3 349.563 3.027 10 0 EGAEHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)CCC1 ZINC001480350119 1392699685 /nfs/dbraw/zinc/69/96/85/1392699685.db2.gz PUKIPHAPMMDALN-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001480742960 1392909804 /nfs/dbraw/zinc/90/98/04/1392909804.db2.gz SXXXRYINDMYVJU-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001480742960 1392909805 /nfs/dbraw/zinc/90/98/05/1392909805.db2.gz SXXXRYINDMYVJU-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481338949 1393167014 /nfs/dbraw/zinc/16/70/14/1393167014.db2.gz FMOOCXBCUUEICJ-INIZCTEOSA-N 1 3 344.503 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001490311048 1393174063 /nfs/dbraw/zinc/17/40/63/1393174063.db2.gz GMBRUBHXJDSFPQ-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001698882624 1406613733 /nfs/dbraw/zinc/61/37/33/1406613733.db2.gz GCDMCWXBXVTQPY-MOPGFXCFSA-N 1 3 337.552 3.314 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001698900719 1406634014 /nfs/dbraw/zinc/63/40/14/1406634014.db2.gz UCDBLQXPMYCTSW-LOYZYROESA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950595 1406691265 /nfs/dbraw/zinc/69/12/65/1406691265.db2.gz ADWNIFHAAVNJST-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001482452342 1395011189 /nfs/dbraw/zinc/01/11/89/1395011189.db2.gz ILOZRJRBAPSKJL-WOJBJXKFSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001484168327 1395305881 /nfs/dbraw/zinc/30/58/81/1395305881.db2.gz MRTHLNLRMQJQKJ-PZJWPPBQSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001484168327 1395305888 /nfs/dbraw/zinc/30/58/88/1395305888.db2.gz MRTHLNLRMQJQKJ-PZJWPPBQSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001484561922 1395447631 /nfs/dbraw/zinc/44/76/31/1395447631.db2.gz SKPVBDGOZNPNQX-YWZLYKJASA-N 1 3 349.494 3.186 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001485229233 1395723193 /nfs/dbraw/zinc/72/31/93/1395723193.db2.gz HQGLMVDFHAZKOZ-SJORKVTESA-N 1 3 333.520 3.133 10 0 EGAEHO CCCCC[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001485450597 1395918503 /nfs/dbraw/zinc/91/85/03/1395918503.db2.gz KLMVQPAEDZQANR-GOSISDBHSA-N 1 3 337.552 3.458 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001485451617 1395919468 /nfs/dbraw/zinc/91/94/68/1395919468.db2.gz YKMPUHNUXDUONT-LJQANCHMSA-N 1 3 349.563 3.458 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001486241943 1396187859 /nfs/dbraw/zinc/18/78/59/1396187859.db2.gz ZRUJIODZHNBURR-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140074 1396338143 /nfs/dbraw/zinc/33/81/43/1396338143.db2.gz NFFKEAJOUYTCPA-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140074 1396338144 /nfs/dbraw/zinc/33/81/44/1396338144.db2.gz NFFKEAJOUYTCPA-IEBWSBKVSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001493830754 1396343493 /nfs/dbraw/zinc/34/34/93/1396343493.db2.gz PISPNUSTCMMWSP-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CC[N@H+](C)CC2CC(C)(C)C2)c1 ZINC001699004288 1406823022 /nfs/dbraw/zinc/82/30/22/1406823022.db2.gz QXVWHNZGAQYTRL-UHFFFAOYSA-N 1 3 345.531 3.188 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CC[N@@H+](C)CC2CC(C)(C)C2)c1 ZINC001699004288 1406823025 /nfs/dbraw/zinc/82/30/25/1406823025.db2.gz QXVWHNZGAQYTRL-UHFFFAOYSA-N 1 3 345.531 3.188 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001495918521 1396571899 /nfs/dbraw/zinc/57/18/99/1396571899.db2.gz MMCPZRUMJMOECC-GOSISDBHSA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001689198027 1396968427 /nfs/dbraw/zinc/96/84/27/1396968427.db2.gz MJWXVFSXMZREBD-OTWHNJEPSA-N 1 3 335.536 3.042 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@H+]1CC=C(C)C ZINC001689198027 1396968431 /nfs/dbraw/zinc/96/84/31/1396968431.db2.gz MJWXVFSXMZREBD-OTWHNJEPSA-N 1 3 335.536 3.042 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001689198026 1396968973 /nfs/dbraw/zinc/96/89/73/1396968973.db2.gz MJWXVFSXMZREBD-IPMKNSEASA-N 1 3 335.536 3.042 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)CC[N@H+]1CC=C(C)C ZINC001689198026 1396968978 /nfs/dbraw/zinc/96/89/78/1396968978.db2.gz MJWXVFSXMZREBD-IPMKNSEASA-N 1 3 335.536 3.042 10 0 EGAEHO CC[C@@H](F)CN1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365350 1403705210 /nfs/dbraw/zinc/70/52/10/1403705210.db2.gz DJWSSNISXSUQPT-SJORKVTESA-N 1 3 343.531 3.073 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)CC1=CCCCC1 ZINC001689970083 1404235045 /nfs/dbraw/zinc/23/50/45/1404235045.db2.gz DQYZLHZAJZSDTJ-LJQANCHMSA-N 1 3 335.536 3.189 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)CC1=CCCCC1 ZINC001689970083 1404235052 /nfs/dbraw/zinc/23/50/52/1404235052.db2.gz DQYZLHZAJZSDTJ-LJQANCHMSA-N 1 3 335.536 3.189 10 0 EGAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001690029779 1404268737 /nfs/dbraw/zinc/26/87/37/1404268737.db2.gz KTYXZUBIHBVQHF-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001690487385 1404601863 /nfs/dbraw/zinc/60/18/63/1404601863.db2.gz RHRWYMATMQTWBG-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001690746090 1404706484 /nfs/dbraw/zinc/70/64/84/1404706484.db2.gz SKVQKPRVUCOOHJ-HXUWFJFHSA-N 1 3 347.547 3.047 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690778328 1404727302 /nfs/dbraw/zinc/72/73/02/1404727302.db2.gz XYYCORHULHDURZ-ROUUACIJSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001690826384 1404764025 /nfs/dbraw/zinc/76/40/25/1404764025.db2.gz FPHYGGJJHDBDAQ-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001690826384 1404764026 /nfs/dbraw/zinc/76/40/26/1404764026.db2.gz FPHYGGJJHDBDAQ-IBGZPJMESA-N 1 3 337.552 3.220 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001691225613 1405165521 /nfs/dbraw/zinc/16/55/21/1405165521.db2.gz CGLHJJSNICPEPV-IPMKNSEASA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001691636628 1405372359 /nfs/dbraw/zinc/37/23/59/1405372359.db2.gz JTCOEJYLQYPQFU-IBGZPJMESA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001691683116 1405418365 /nfs/dbraw/zinc/41/83/65/1405418365.db2.gz OTBRLPLTPNZDLV-PKOBYXMFSA-N 1 3 339.568 3.226 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001691691688 1405425778 /nfs/dbraw/zinc/42/57/78/1405425778.db2.gz CFHPXQNODQXNHT-SFHVURJKSA-N 1 3 345.531 3.052 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001691796764 1405507756 /nfs/dbraw/zinc/50/77/56/1405507756.db2.gz NMBGNRSTZMTOLO-PKOBYXMFSA-N 1 3 331.504 3.108 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823226 1405539501 /nfs/dbraw/zinc/53/95/01/1405539501.db2.gz LDUVPFDXNLIWJI-CNZFZVQHSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823226 1405539503 /nfs/dbraw/zinc/53/95/03/1405539503.db2.gz LDUVPFDXNLIWJI-CNZFZVQHSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823868 1405539995 /nfs/dbraw/zinc/53/99/95/1405539995.db2.gz ZDUAJMGDLVSECU-SFHVURJKSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001691823868 1405540000 /nfs/dbraw/zinc/54/00/00/1405540000.db2.gz ZDUAJMGDLVSECU-SFHVURJKSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001691825598 1405541593 /nfs/dbraw/zinc/54/15/93/1405541593.db2.gz PWXNLVCQBLHKGD-FHWLQOOXSA-N 1 3 345.531 3.191 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001692129422 1405787727 /nfs/dbraw/zinc/78/77/27/1405787727.db2.gz UEJWAMOEZAFPLV-WFRZBGSESA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001692279375 1405912531 /nfs/dbraw/zinc/91/25/31/1405912531.db2.gz DQBIKQQFYQQIBJ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001692279375 1405912532 /nfs/dbraw/zinc/91/25/32/1405912532.db2.gz DQBIKQQFYQQIBJ-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001692334614 1405954713 /nfs/dbraw/zinc/95/47/13/1405954713.db2.gz XCHNTWMJBCSHKX-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO Cc1ccccc1[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382219 1405987275 /nfs/dbraw/zinc/98/72/75/1405987275.db2.gz DVNVKRGJUBIIIG-FHWLQOOXSA-N 1 3 343.515 3.073 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570418 1406174565 /nfs/dbraw/zinc/17/45/65/1406174565.db2.gz UKCRBMISUQDIGD-QZTJIDSGSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570418 1406174568 /nfs/dbraw/zinc/17/45/68/1406174568.db2.gz UKCRBMISUQDIGD-QZTJIDSGSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(CC)CC ZINC001732030674 1428248576 /nfs/dbraw/zinc/24/85/76/1428248576.db2.gz UMKRNWVJXDMGSD-OTWHNJEPSA-N 1 3 349.563 3.218 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(CC)CC ZINC001732030674 1428248578 /nfs/dbraw/zinc/24/85/78/1428248578.db2.gz UMKRNWVJXDMGSD-OTWHNJEPSA-N 1 3 349.563 3.218 10 0 EGAEHO CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001732085934 1428345489 /nfs/dbraw/zinc/34/54/89/1428345489.db2.gz BZSMMOBZMYVMHQ-ROUKRRSUSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001732085934 1428345494 /nfs/dbraw/zinc/34/54/94/1428345494.db2.gz BZSMMOBZMYVMHQ-ROUKRRSUSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001732154509 1428397995 /nfs/dbraw/zinc/39/79/95/1428397995.db2.gz ROQHXEGGRGGDPS-QUOWSDGJSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C/CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001732154509 1428397997 /nfs/dbraw/zinc/39/79/97/1428397997.db2.gz ROQHXEGGRGGDPS-QUOWSDGJSA-N 1 3 347.547 3.330 10 0 EGAEHO CC(C)=CCN1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001732167712 1428411063 /nfs/dbraw/zinc/41/10/63/1428411063.db2.gz ZGQGAMZHNGYXPV-LJQANCHMSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)=CCN1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001732167712 1428411065 /nfs/dbraw/zinc/41/10/65/1428411065.db2.gz ZGQGAMZHNGYXPV-LJQANCHMSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174758 1428419787 /nfs/dbraw/zinc/41/97/87/1428419787.db2.gz WIELYUUMYCZPIR-IAGOWNOFSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001732174758 1428419790 /nfs/dbraw/zinc/41/97/90/1428419790.db2.gz WIELYUUMYCZPIR-IAGOWNOFSA-N 1 3 325.541 3.076 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200307 1428450838 /nfs/dbraw/zinc/45/08/38/1428450838.db2.gz XKGAUAOBFBEMLA-OALUTQOASA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC1CCC(C)CC1 ZINC001732354107 1428545585 /nfs/dbraw/zinc/54/55/85/1428545585.db2.gz DUSMEIXREZAFTE-ADKAHSJRSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001732470283 1428598699 /nfs/dbraw/zinc/59/86/99/1428598699.db2.gz RLPOSCQSXNZRBI-MOPGFXCFSA-N 1 3 337.552 3.170 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158526 1412542493 /nfs/dbraw/zinc/54/24/93/1412542493.db2.gz FTHLHAZTZXYCAN-UYAOXDASSA-N 1 3 345.531 3.162 10 0 EGAEHO CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699513882 1412900660 /nfs/dbraw/zinc/90/06/60/1412900660.db2.gz YEDJFMSCJDMBKH-MSOLQXFVSA-N 1 3 337.552 3.316 10 0 EGAEHO CN(CC(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21)CC(C)(C)C ZINC001699533196 1412909280 /nfs/dbraw/zinc/90/92/80/1412909280.db2.gz FMWQHCGSJLDCEM-IBGZPJMESA-N 1 3 345.531 3.090 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001699799492 1413210060 /nfs/dbraw/zinc/21/00/60/1413210060.db2.gz ORAKRKHGNMISTA-IBGZPJMESA-N 1 3 344.503 3.026 10 0 EGAEHO CC(C)CC[N@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001732547047 1428723720 /nfs/dbraw/zinc/72/37/20/1428723720.db2.gz JGAOFFIBKBSZTL-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CC[N@@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001732547047 1428723724 /nfs/dbraw/zinc/72/37/24/1428723724.db2.gz JGAOFFIBKBSZTL-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[N@H+](CCCCCF)CC1)CC(C)(C)C ZINC001700181201 1413594817 /nfs/dbraw/zinc/59/48/17/1413594817.db2.gz QKZZROUHDBHEEN-KRWDZBQOSA-N 1 3 343.531 3.075 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1)CC(C)(C)C ZINC001700181201 1413594819 /nfs/dbraw/zinc/59/48/19/1413594819.db2.gz QKZZROUHDBHEEN-KRWDZBQOSA-N 1 3 343.531 3.075 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC001700183424 1413599464 /nfs/dbraw/zinc/59/94/64/1413599464.db2.gz DLDMIEGCKBMZCM-WUTDNEBXSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC001700183424 1413599466 /nfs/dbraw/zinc/59/94/66/1413599466.db2.gz DLDMIEGCKBMZCM-WUTDNEBXSA-N 1 3 343.515 3.011 10 0 EGAEHO CCC1([NH2+]CCCC2CCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001700217532 1413661010 /nfs/dbraw/zinc/66/10/10/1413661010.db2.gz OJOVGQCRQWHYAH-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001700374098 1413901626 /nfs/dbraw/zinc/90/16/26/1413901626.db2.gz WPQZZSJGOPIWFF-UHFFFAOYSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001700474428 1414097234 /nfs/dbraw/zinc/09/72/34/1414097234.db2.gz OOOYDBDGCXCLRY-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001700474428 1414097242 /nfs/dbraw/zinc/09/72/42/1414097242.db2.gz OOOYDBDGCXCLRY-ROUUACIJSA-N 1 3 345.531 3.088 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)Cc1ccccc1 ZINC001700702174 1414361091 /nfs/dbraw/zinc/36/10/91/1414361091.db2.gz MOCQSUVYMXNMCJ-FQEVSTJZSA-N 1 3 345.531 3.278 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001700766475 1414441986 /nfs/dbraw/zinc/44/19/86/1414441986.db2.gz GDPCIYKGIAFLBB-VQIMIIECSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)NCc1ccccc1F ZINC001700766475 1414441988 /nfs/dbraw/zinc/44/19/88/1414441988.db2.gz GDPCIYKGIAFLBB-VQIMIIECSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC001701001263 1414653957 /nfs/dbraw/zinc/65/39/57/1414653957.db2.gz NUOFUEVALJHBCF-WMZOPIPTSA-N 1 3 333.520 3.208 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001701008560 1414666649 /nfs/dbraw/zinc/66/66/49/1414666649.db2.gz RDBXJGRKXNLESX-MSOLQXFVSA-N 1 3 345.531 3.306 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)CC(C)(C)C ZINC001701057513 1414714123 /nfs/dbraw/zinc/71/41/23/1414714123.db2.gz IFLNXJMJPGDFSY-UHFFFAOYSA-N 1 3 349.563 3.149 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1)CC(C)(C)C ZINC001701057513 1414714126 /nfs/dbraw/zinc/71/41/26/1414714126.db2.gz IFLNXJMJPGDFSY-UHFFFAOYSA-N 1 3 349.563 3.149 10 0 EGAEHO CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCCCN1CC ZINC001732812933 1428990834 /nfs/dbraw/zinc/99/08/34/1428990834.db2.gz SFTNGRYVLBGJSH-LJQANCHMSA-N 1 3 335.536 3.189 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001733014002 1429134029 /nfs/dbraw/zinc/13/40/29/1429134029.db2.gz VDHDSLOQXLZKLC-CQOFWLJFSA-N 1 3 343.515 3.057 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001713141177 1417723233 /nfs/dbraw/zinc/72/32/33/1417723233.db2.gz CEZLPAYECGIDQP-KDURUIRLSA-N 1 3 347.547 3.118 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713169952 1417743157 /nfs/dbraw/zinc/74/31/57/1417743157.db2.gz PHZSIQRPHVFUOP-IOIJZZRGSA-N 1 3 335.536 3.233 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001733063635 1429215180 /nfs/dbraw/zinc/21/51/80/1429215180.db2.gz XNIABJMGHPJUNL-ROUUACIJSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001733063635 1429215182 /nfs/dbraw/zinc/21/51/82/1429215182.db2.gz XNIABJMGHPJUNL-ROUUACIJSA-N 1 3 333.520 3.143 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382164 1417992582 /nfs/dbraw/zinc/99/25/82/1417992582.db2.gz OLRDUEHKXZOSBI-SJORKVTESA-N 1 3 325.541 3.170 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713677650 1418429823 /nfs/dbraw/zinc/42/98/23/1418429823.db2.gz QACSDJAFQYUSQS-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C\CCN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804931 1418617735 /nfs/dbraw/zinc/61/77/35/1418617735.db2.gz UENRHNCUKVTCMU-ZYHOBAKYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001714081773 1418875566 /nfs/dbraw/zinc/87/55/66/1418875566.db2.gz BVXIFVNISFMKMB-AZUAARDMSA-N 1 3 341.499 3.164 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001714106814 1418906776 /nfs/dbraw/zinc/90/67/76/1418906776.db2.gz MBRUHFZTEYLPMM-RTBURBONSA-N 1 3 349.494 3.073 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001714155194 1418965190 /nfs/dbraw/zinc/96/51/90/1418965190.db2.gz FBIWRASFOXHEOJ-UYAOXDASSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001714155194 1418965192 /nfs/dbraw/zinc/96/51/92/1418965192.db2.gz FBIWRASFOXHEOJ-UYAOXDASSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001714319616 1419098027 /nfs/dbraw/zinc/09/80/27/1419098027.db2.gz LUKYTESAHOEKET-JDTSAYOFSA-N 1 3 349.906 3.019 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CNC/C=C\Cl)cc1 ZINC001714319616 1419098032 /nfs/dbraw/zinc/09/80/32/1419098032.db2.gz LUKYTESAHOEKET-JDTSAYOFSA-N 1 3 349.906 3.019 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC001714322597 1419100853 /nfs/dbraw/zinc/10/08/53/1419100853.db2.gz BJRCUDXJSJVXAW-UHFFFAOYSA-N 1 3 342.487 3.103 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001714542497 1419268027 /nfs/dbraw/zinc/26/80/27/1419268027.db2.gz IXMBEDASOJERAC-FQEVSTJZSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001714542497 1419268030 /nfs/dbraw/zinc/26/80/30/1419268030.db2.gz IXMBEDASOJERAC-FQEVSTJZSA-N 1 3 345.531 3.231 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226545 1429352937 /nfs/dbraw/zinc/35/29/37/1429352937.db2.gz OLZZQGLILBSSSK-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001733226545 1429352944 /nfs/dbraw/zinc/35/29/44/1429352944.db2.gz OLZZQGLILBSSSK-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCN1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226545 1429352949 /nfs/dbraw/zinc/35/29/49/1429352949.db2.gz OLZZQGLILBSSSK-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001715075614 1419810632 /nfs/dbraw/zinc/81/06/32/1419810632.db2.gz OYJJETSMFHOABH-DLBZAZTESA-N 1 3 325.541 3.172 10 0 EGAEHO CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001715315590 1420024545 /nfs/dbraw/zinc/02/45/45/1420024545.db2.gz BXSWSCAZXIWHCA-IBGZPJMESA-N 1 3 349.563 3.366 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715401367 1420100164 /nfs/dbraw/zinc/10/01/64/1420100164.db2.gz MWCIOZPJZDNVFW-QFBILLFUSA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)=CC[N@@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001715484072 1420164051 /nfs/dbraw/zinc/16/40/51/1420164051.db2.gz CKYMPJGOXPEXRP-UHFFFAOYSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)=CC[N@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001715484072 1420164055 /nfs/dbraw/zinc/16/40/55/1420164055.db2.gz CKYMPJGOXPEXRP-UHFFFAOYSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715536079 1420230461 /nfs/dbraw/zinc/23/04/61/1420230461.db2.gz HXNFGRDXWRBLDY-GOSISDBHSA-N 1 3 345.531 3.042 10 0 EGAEHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715536079 1420230465 /nfs/dbraw/zinc/23/04/65/1420230465.db2.gz HXNFGRDXWRBLDY-GOSISDBHSA-N 1 3 345.531 3.042 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001715543167 1420241121 /nfs/dbraw/zinc/24/11/21/1420241121.db2.gz AIUINCULCJWAKR-PMACEKPBSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001715543167 1420241123 /nfs/dbraw/zinc/24/11/23/1420241123.db2.gz AIUINCULCJWAKR-PMACEKPBSA-N 1 3 349.563 3.077 10 0 EGAEHO C[C@H]([NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1)c1cccc(F)c1 ZINC001733256076 1429407274 /nfs/dbraw/zinc/40/72/74/1429407274.db2.gz PCWDYBZOVQKVJC-HNNXBMFYSA-N 1 3 349.494 3.103 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)c1cccc(F)c1 ZINC001715828640 1420358769 /nfs/dbraw/zinc/35/87/69/1420358769.db2.gz XSGWHQVRKFBCTC-ASEMBFHNSA-N 1 3 347.478 3.023 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)c1cccc(F)c1 ZINC001715828640 1420358771 /nfs/dbraw/zinc/35/87/71/1420358771.db2.gz XSGWHQVRKFBCTC-ASEMBFHNSA-N 1 3 347.478 3.023 10 0 EGAEHO Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001715927470 1420401667 /nfs/dbraw/zinc/40/16/67/1420401667.db2.gz GUMOYQDVNTVWKB-UYAOXDASSA-N 1 3 345.531 3.079 10 0 EGAEHO CC[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001716566924 1420762758 /nfs/dbraw/zinc/76/27/58/1420762758.db2.gz BZAAHXHMLKYSGK-LPHOPBHVSA-N 1 3 349.494 3.057 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001716632192 1420790994 /nfs/dbraw/zinc/79/09/94/1420790994.db2.gz WMOCRALSBNRVOJ-PXNSSMCTSA-N 1 3 345.531 3.189 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)[C@H](CC)C1 ZINC001716639722 1420796574 /nfs/dbraw/zinc/79/65/74/1420796574.db2.gz RWRKDMXNCXVBAM-RTBURBONSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H](C(=O)NCC1([NH2+]CCCC2CCCC2)CC1)N1CCCCCC1 ZINC001716695824 1420848537 /nfs/dbraw/zinc/84/85/37/1420848537.db2.gz MUCCOOYWDKMUEY-SFHVURJKSA-N 1 3 349.563 3.460 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707510 1420861383 /nfs/dbraw/zinc/86/13/83/1420861383.db2.gz ZOWRTHAKDSWOKY-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707510 1420861385 /nfs/dbraw/zinc/86/13/85/1420861385.db2.gz ZOWRTHAKDSWOKY-QUCCMNQESA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001717002680 1421072145 /nfs/dbraw/zinc/07/21/45/1421072145.db2.gz ZJVWPHBJWYQBKJ-BZSNNMDCSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001717117074 1421121275 /nfs/dbraw/zinc/12/12/75/1421121275.db2.gz ZUXDIRUALPICFD-APWZRJJASA-N 1 3 349.494 3.186 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)NCCF)cc1 ZINC001717117074 1421121276 /nfs/dbraw/zinc/12/12/76/1421121276.db2.gz ZUXDIRUALPICFD-APWZRJJASA-N 1 3 349.494 3.186 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717162697 1421152967 /nfs/dbraw/zinc/15/29/67/1421152967.db2.gz FKEDFRONMDGXMD-ROUUACIJSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC001717215516 1421193269 /nfs/dbraw/zinc/19/32/69/1421193269.db2.gz MENAJYBIHSJSSH-UHFFFAOYSA-N 1 3 345.487 3.053 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC001717215516 1421193272 /nfs/dbraw/zinc/19/32/72/1421193272.db2.gz MENAJYBIHSJSSH-UHFFFAOYSA-N 1 3 345.487 3.053 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001717411481 1421343421 /nfs/dbraw/zinc/34/34/21/1421343421.db2.gz SXUABRIUHQNYQF-IRXDYDNUSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC001717474837 1421408181 /nfs/dbraw/zinc/40/81/81/1421408181.db2.gz UWVLMALGQUTFRQ-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001717474837 1421408182 /nfs/dbraw/zinc/40/81/82/1421408182.db2.gz UWVLMALGQUTFRQ-AZUAARDMSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)=CCN(C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485636 1421421966 /nfs/dbraw/zinc/42/19/66/1421421966.db2.gz PUIKKXIFBVFOCH-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)=CCN(C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717485636 1421421969 /nfs/dbraw/zinc/42/19/69/1421421969.db2.gz PUIKKXIFBVFOCH-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001717490022 1421427672 /nfs/dbraw/zinc/42/76/72/1421427672.db2.gz DMAQKIOSDKBPNO-ICSRJNTNSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001717490022 1421427674 /nfs/dbraw/zinc/42/76/74/1421427674.db2.gz DMAQKIOSDKBPNO-ICSRJNTNSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCC1=CCCCC1 ZINC001717511896 1421448486 /nfs/dbraw/zinc/44/84/86/1421448486.db2.gz NQZQSLAHQVUXFI-UXHICEINSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717547970 1421487043 /nfs/dbraw/zinc/48/70/43/1421487043.db2.gz CYESAKBMVILOLA-JTGQJZMRSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717547969 1421487262 /nfs/dbraw/zinc/48/72/62/1421487262.db2.gz CYESAKBMVILOLA-DKRLNXSXSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001717632928 1421542942 /nfs/dbraw/zinc/54/29/42/1421542942.db2.gz WOJPXEDRWBHZDW-QIAVYIFCSA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C/CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001717632928 1421542943 /nfs/dbraw/zinc/54/29/43/1421542943.db2.gz WOJPXEDRWBHZDW-QIAVYIFCSA-N 1 3 349.563 3.243 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001733354139 1429534593 /nfs/dbraw/zinc/53/45/93/1429534593.db2.gz ZPYVSFSJTVKWBQ-RBUKOAKNSA-N 1 3 335.536 3.022 10 0 EGAEHO Cc1cc(CN2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406030 1429603291 /nfs/dbraw/zinc/60/32/91/1429603291.db2.gz LCDSXFJZVMHQCR-HKUYNNGSSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC001733406030 1429603295 /nfs/dbraw/zinc/60/32/95/1429603295.db2.gz LCDSXFJZVMHQCR-HKUYNNGSSA-N 1 3 349.544 3.012 10 0 EGAEHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001723699801 1424537731 /nfs/dbraw/zinc/53/77/31/1424537731.db2.gz RXHCQZLBLNXEDT-UHFFFAOYSA-N 1 3 349.563 3.245 10 0 EGAEHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001724180507 1424715564 /nfs/dbraw/zinc/71/55/64/1424715564.db2.gz WXQWOBKQUFKNHC-NRFANRHFSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C(C)C)cc2)C1 ZINC001724180507 1424715566 /nfs/dbraw/zinc/71/55/66/1424715566.db2.gz WXQWOBKQUFKNHC-NRFANRHFSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653351 1425016765 /nfs/dbraw/zinc/01/67/65/1425016765.db2.gz QJEZWFCCDREJKY-SWCPTZIKSA-N 1 3 349.563 3.384 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653351 1425016772 /nfs/dbraw/zinc/01/67/72/1425016772.db2.gz QJEZWFCCDREJKY-SWCPTZIKSA-N 1 3 349.563 3.384 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001724960371 1425348313 /nfs/dbraw/zinc/34/83/13/1425348313.db2.gz BKVLMBOSIDQIRR-UHFFFAOYSA-N 1 3 345.531 3.116 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979638 1425380940 /nfs/dbraw/zinc/38/09/40/1425380940.db2.gz NLMKKQLGWNVNTG-ZWKOTPCHSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979638 1425380944 /nfs/dbraw/zinc/38/09/44/1425380944.db2.gz NLMKKQLGWNVNTG-ZWKOTPCHSA-N 1 3 337.552 3.122 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001725105618 1425555079 /nfs/dbraw/zinc/55/50/79/1425555079.db2.gz GTRBNMREJPSGEU-JKSUJKDBSA-N 1 3 337.552 3.027 10 0 EGAEHO Cc1cccc(C[NH2+][C@@H](CCN(C)C(=O)CN2CCCC2)C(C)C)c1 ZINC001725214628 1425779059 /nfs/dbraw/zinc/77/90/59/1425779059.db2.gz QTYBECQMHFYZAE-FQEVSTJZSA-N 1 3 345.531 3.054 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247373 1425866440 /nfs/dbraw/zinc/86/64/40/1425866440.db2.gz IMUFGYQUHDZQRW-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)=CCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725302211 1425951396 /nfs/dbraw/zinc/95/13/96/1425951396.db2.gz ZINASVKLCHSGDG-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725362029 1426012351 /nfs/dbraw/zinc/01/23/51/1426012351.db2.gz XXGLBFVZIYVCBC-VJANTYMQSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001725437843 1426099721 /nfs/dbraw/zinc/09/97/21/1426099721.db2.gz DPCPJICRAWDTFP-PMACEKPBSA-N 1 3 345.531 3.495 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001725523031 1426214269 /nfs/dbraw/zinc/21/42/69/1426214269.db2.gz KYUDAZIUCMSMJT-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001725523025 1426214350 /nfs/dbraw/zinc/21/43/50/1426214350.db2.gz KYUDAZIUCMSMJT-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594529 1427636504 /nfs/dbraw/zinc/63/65/04/1427636504.db2.gz IDLNXRMEVNJPCH-FXAWDEMLSA-N 1 3 345.531 3.279 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)C1 ZINC001731754888 1427853670 /nfs/dbraw/zinc/85/36/70/1427853670.db2.gz DVUZSVRBAIGESE-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)C1 ZINC001731754888 1427853671 /nfs/dbraw/zinc/85/36/71/1427853671.db2.gz DVUZSVRBAIGESE-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001731840977 1428062766 /nfs/dbraw/zinc/06/27/66/1428062766.db2.gz IANGUQRCKNGPNM-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCC1 ZINC001731840977 1428062770 /nfs/dbraw/zinc/06/27/70/1428062770.db2.gz IANGUQRCKNGPNM-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731853937 1428085585 /nfs/dbraw/zinc/08/55/85/1428085585.db2.gz ATXDAELJRBSJFS-XOIGSVRCSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731853937 1428085586 /nfs/dbraw/zinc/08/55/86/1428085586.db2.gz ATXDAELJRBSJFS-XOIGSVRCSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731853934 1428085677 /nfs/dbraw/zinc/08/56/77/1428085677.db2.gz ATXDAELJRBSJFS-NYQZOWANSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731853934 1428085678 /nfs/dbraw/zinc/08/56/78/1428085678.db2.gz ATXDAELJRBSJFS-NYQZOWANSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)c1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731861015 1428100013 /nfs/dbraw/zinc/10/00/13/1428100013.db2.gz PXZOVEIMAKJWAZ-SFHVURJKSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731861015 1428100024 /nfs/dbraw/zinc/10/00/24/1428100024.db2.gz PXZOVEIMAKJWAZ-SFHVURJKSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)(C(=O)NCC[N@H+](CC1CCCC1)C1CC1)N1CCCCC1 ZINC001731877798 1428144361 /nfs/dbraw/zinc/14/43/61/1428144361.db2.gz ZWRPBNHAYLOOCN-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NCC[N@@H+](CC1CCCC1)C1CC1)N1CCCCC1 ZINC001731877798 1428144362 /nfs/dbraw/zinc/14/43/62/1428144362.db2.gz ZWRPBNHAYLOOCN-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603839 1429812482 /nfs/dbraw/zinc/81/24/82/1429812482.db2.gz UXOXJARDQXMGNV-LZCSOBMZSA-N 1 3 344.503 3.109 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603839 1429812489 /nfs/dbraw/zinc/81/24/89/1429812489.db2.gz UXOXJARDQXMGNV-LZCSOBMZSA-N 1 3 344.503 3.109 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664842 1429858296 /nfs/dbraw/zinc/85/82/96/1429858296.db2.gz CVPBPYOIDGHSGL-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001733911062 1437729341 /nfs/dbraw/zinc/72/93/41/1437729341.db2.gz ITOAZLCOKIOTMC-UHFFFAOYSA-N 1 3 349.563 3.366 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001734053168 1437843666 /nfs/dbraw/zinc/84/36/66/1437843666.db2.gz JQJABECIDDGNRL-LPHOPBHVSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001734053168 1437843667 /nfs/dbraw/zinc/84/36/67/1437843667.db2.gz JQJABECIDDGNRL-LPHOPBHVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148754 1437916528 /nfs/dbraw/zinc/91/65/28/1437916528.db2.gz VFMPBNMJUONAEZ-MSOLQXFVSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148754 1437916529 /nfs/dbraw/zinc/91/65/29/1437916529.db2.gz VFMPBNMJUONAEZ-MSOLQXFVSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001734299577 1438030727 /nfs/dbraw/zinc/03/07/27/1438030727.db2.gz CDTHKPZYPXBJHR-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC001734494742 1438132003 /nfs/dbraw/zinc/13/20/03/1438132003.db2.gz BYIXSONJXDACAQ-FAPWYTRCSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001734577911 1438170352 /nfs/dbraw/zinc/17/03/52/1438170352.db2.gz PDKKPHLLKOARTN-MWWKQMNYSA-N 1 3 346.519 3.224 10 0 EGAEHO CC(C)CC[NH+]1CCC(C2(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001734603551 1438184517 /nfs/dbraw/zinc/18/45/17/1438184517.db2.gz GMMNDBIIVSYBMJ-ROUUACIJSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001750943942 1440117514 /nfs/dbraw/zinc/11/75/14/1440117514.db2.gz IQMDUCJYHXFOKR-QZTJIDSGSA-N 1 3 337.552 3.146 10 0 EGAEHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001750943942 1440117515 /nfs/dbraw/zinc/11/75/15/1440117515.db2.gz IQMDUCJYHXFOKR-QZTJIDSGSA-N 1 3 337.552 3.146 10 0 EGAEHO Cc1cc(N2CCCN(Cc3ccc4cccc(O)c4n3)CC2)cc[nH+]1 ZINC000067894978 215243641 /nfs/dbraw/zinc/24/36/41/215243641.db2.gz ZPIRZMZAXAPFMB-UHFFFAOYSA-N 1 3 348.450 3.356 10 0 EGAEHO CN1CCC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000348258110 282694705 /nfs/dbraw/zinc/69/47/05/282694705.db2.gz KCAOMVMNRRCJJZ-LEWJYISDSA-N 1 3 341.543 3.330 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000347904953 141213090 /nfs/dbraw/zinc/21/30/90/141213090.db2.gz XWYXUMWFMSWGCV-FQEVSTJZSA-N 1 3 343.515 3.227 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000347904953 141213094 /nfs/dbraw/zinc/21/30/94/141213094.db2.gz XWYXUMWFMSWGCV-FQEVSTJZSA-N 1 3 343.515 3.227 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000341557336 155352465 /nfs/dbraw/zinc/35/24/65/155352465.db2.gz DFDZJNHFYSOAFG-MSOLQXFVSA-N 1 3 349.544 3.002 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000341557336 155352467 /nfs/dbraw/zinc/35/24/67/155352467.db2.gz DFDZJNHFYSOAFG-MSOLQXFVSA-N 1 3 349.544 3.002 10 0 EGAEHO C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000175197259 265101157 /nfs/dbraw/zinc/10/11/57/265101157.db2.gz GTBAZNADMALTOE-QGZVFWFLSA-N 1 3 329.488 3.485 10 0 EGAEHO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000358942183 275063384 /nfs/dbraw/zinc/06/33/84/275063384.db2.gz MVIKVIFCAKJCET-OXJNMPFZSA-N 1 3 336.483 3.324 10 0 EGAEHO CSCCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150946687 307726192 /nfs/dbraw/zinc/72/61/92/307726192.db2.gz YODPBIKGXJELMN-UHFFFAOYSA-N 1 3 335.561 3.450 10 0 EGAEHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCCC1 ZINC000248407241 308002379 /nfs/dbraw/zinc/00/23/79/308002379.db2.gz CSVJORWIVHWJBR-VAMGGRTRSA-N 1 3 328.500 3.182 10 0 EGAEHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248413352 308002452 /nfs/dbraw/zinc/00/24/52/308002452.db2.gz GBELUUYWXJZPFY-HOTGVXAUSA-N 1 3 341.499 3.355 10 0 EGAEHO CN(C[C@@H](O)CC1CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248971414 308015936 /nfs/dbraw/zinc/01/59/36/308015936.db2.gz CQMRQSCWKLOEDZ-RTWAWAEBSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@@H](O)CC1CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248971414 308015938 /nfs/dbraw/zinc/01/59/38/308015938.db2.gz CQMRQSCWKLOEDZ-RTWAWAEBSA-N 1 3 330.516 3.382 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000293728542 308156608 /nfs/dbraw/zinc/15/66/08/308156608.db2.gz MVBLFTCBLWILSM-PWSUYJOCSA-N 1 3 329.307 3.429 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821664 309103775 /nfs/dbraw/zinc/10/37/75/309103775.db2.gz BJPWGLQOFKOUEV-ZEIJEMSESA-N 1 3 341.268 3.392 10 0 EGAEHO Brc1ccc(CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414882089 309107046 /nfs/dbraw/zinc/10/70/46/309107046.db2.gz RQDRJJBYQWXSHT-UHFFFAOYSA-N 1 3 334.261 3.114 10 0 EGAEHO COc1cc(C[NH2+][C@@H]2CCNC[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414943865 309110541 /nfs/dbraw/zinc/11/05/41/309110541.db2.gz OMAITMRQSKWKJV-HNAYVOBHSA-N 1 3 340.467 3.458 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415046531 309116282 /nfs/dbraw/zinc/11/62/82/309116282.db2.gz CRNIZDLLJULGCM-HXUWFJFHSA-N 1 3 335.455 3.146 10 0 EGAEHO COc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cc2c1OCCO2 ZINC000415049995 309116554 /nfs/dbraw/zinc/11/65/54/309116554.db2.gz IALNHUMDGGLSSO-KRWDZBQOSA-N 1 3 342.439 3.036 10 0 EGAEHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418497274 309247461 /nfs/dbraw/zinc/24/74/61/309247461.db2.gz VYGZNESQHVGQPX-KRWDZBQOSA-N 1 3 346.519 3.114 10 0 EGAEHO COCc1cccc(OCC2(C[NH2+][C@@H]3CCNCC3(C)C)CCC2)c1 ZINC000420359185 309284113 /nfs/dbraw/zinc/28/41/13/309284113.db2.gz JMXNSJMHNPGTKV-LJQANCHMSA-N 1 3 346.515 3.360 10 0 EGAEHO COCc1cccc(OCC2(CN[C@@H]3CC[NH2+]CC3(C)C)CCC2)c1 ZINC000420359185 309284114 /nfs/dbraw/zinc/28/41/14/309284114.db2.gz JMXNSJMHNPGTKV-LJQANCHMSA-N 1 3 346.515 3.360 10 0 EGAEHO Cc1ccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750896 309366484 /nfs/dbraw/zinc/36/64/84/309366484.db2.gz DVJUNEQZIZXOMT-PZJWPPBQSA-N 1 3 338.451 3.219 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000422776877 309367714 /nfs/dbraw/zinc/36/77/14/309367714.db2.gz FBVLOZMJCBMUDO-BURNTYAHSA-N 1 3 329.532 3.498 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422876106 309373362 /nfs/dbraw/zinc/37/33/62/309373362.db2.gz PUSWFMABSJUSJV-CADBVGFASA-N 1 3 343.515 3.174 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940555 309377112 /nfs/dbraw/zinc/37/71/12/309377112.db2.gz GZOFEARZKAAFAW-ICSRJNTNSA-N 1 3 346.446 3.267 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000423020825 309381369 /nfs/dbraw/zinc/38/13/69/309381369.db2.gz AMEKMVIUHXGSOF-HZPDHXFCSA-N 1 3 326.488 3.020 10 0 EGAEHO CC(C)N1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423042872 309382570 /nfs/dbraw/zinc/38/25/70/309382570.db2.gz MMPZKMVNQZTJTI-LUVWLHFXSA-N 1 3 325.447 3.204 10 0 EGAEHO [NH3+][C@H]1CCCCC[C@@H]1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423089535 309385447 /nfs/dbraw/zinc/38/54/47/309385447.db2.gz VIUWMESAIJEMQQ-CKUJCDMFSA-N 1 3 333.442 3.041 10 0 EGAEHO C[C@@H]1CC[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400340 309398602 /nfs/dbraw/zinc/39/86/02/309398602.db2.gz VBJDDRMOGVXLAW-BNOWGMLFSA-N 1 3 347.450 3.112 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423405422 309398851 /nfs/dbraw/zinc/39/88/51/309398851.db2.gz TXPJYGXMSUDDAN-FIXISWKDSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1Br)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423405422 309398852 /nfs/dbraw/zinc/39/88/52/309398852.db2.gz TXPJYGXMSUDDAN-FIXISWKDSA-N 1 3 329.257 3.107 10 0 EGAEHO COc1cc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)ccn1 ZINC000449123831 310038727 /nfs/dbraw/zinc/03/87/27/310038727.db2.gz DMRSDXVLABZADU-KRWDZBQOSA-N 1 3 339.483 3.275 10 0 EGAEHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449734805 310083185 /nfs/dbraw/zinc/08/31/85/310083185.db2.gz DTRXHLMVQDLFRY-WRTQPQOASA-N 1 3 328.500 3.038 10 0 EGAEHO NC[C@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165458 312268789 /nfs/dbraw/zinc/26/87/89/312268789.db2.gz HVSSCDAFPWUKRX-ZCNNSNEGSA-N 1 3 339.483 3.254 10 0 EGAEHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000535777022 314073159 /nfs/dbraw/zinc/07/31/59/314073159.db2.gz DWCSEBRRCXLPEI-CYBMUJFWSA-N 1 3 327.875 3.156 10 0 EGAEHO FC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550262678 315122475 /nfs/dbraw/zinc/12/24/75/315122475.db2.gz NQFFDDCSBWWWSL-SFHVURJKSA-N 1 3 332.463 3.007 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000565719470 316361050 /nfs/dbraw/zinc/36/10/50/316361050.db2.gz XPUPMFVQEIOEGR-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000565719470 316361053 /nfs/dbraw/zinc/36/10/53/316361053.db2.gz XPUPMFVQEIOEGR-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCn1nccc1CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579839352 325166125 /nfs/dbraw/zinc/16/61/25/325166125.db2.gz UCOBKBAPCIUPFR-QGZVFWFLSA-N 1 3 346.544 3.269 10 0 EGAEHO CCn1nccc1CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579839352 325166129 /nfs/dbraw/zinc/16/61/29/325166129.db2.gz UCOBKBAPCIUPFR-QGZVFWFLSA-N 1 3 346.544 3.269 10 0 EGAEHO CCC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC000162171728 454756862 /nfs/dbraw/zinc/75/68/62/454756862.db2.gz LAVVMBXEUYBFCH-APWZRJJASA-N 1 3 331.504 3.059 10 0 EGAEHO COc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1 ZINC000124752578 454766813 /nfs/dbraw/zinc/76/68/13/454766813.db2.gz FBIYENSLWHQJMN-GOSISDBHSA-N 1 3 345.531 3.296 10 0 EGAEHO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000164007727 454871930 /nfs/dbraw/zinc/87/19/30/454871930.db2.gz VTWYFGVZDOFJSZ-GOSISDBHSA-N 1 3 329.488 3.139 10 0 EGAEHO CC(C)[C@H](c1ccccc1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112699139 454896619 /nfs/dbraw/zinc/89/66/19/454896619.db2.gz HYTJKSSXWWLFCF-OAQYLSRUSA-N 1 3 343.515 3.059 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000165999164 454906299 /nfs/dbraw/zinc/90/62/99/454906299.db2.gz KPCUSVIOECGDFL-HKUYNNGSSA-N 1 3 334.504 3.464 10 0 EGAEHO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCO2 ZINC000150977050 454920919 /nfs/dbraw/zinc/92/09/19/454920919.db2.gz ZRUVVEMFVVXUKP-FQEVSTJZSA-N 1 3 345.531 3.133 10 0 EGAEHO CCC[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000155989411 455069863 /nfs/dbraw/zinc/06/98/63/455069863.db2.gz CWVOXCSQZUGQPV-HKUYNNGSSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000155989411 455069867 /nfs/dbraw/zinc/06/98/67/455069867.db2.gz CWVOXCSQZUGQPV-HKUYNNGSSA-N 1 3 337.552 3.220 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]C[C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000180107332 455132913 /nfs/dbraw/zinc/13/29/13/455132913.db2.gz SRDOTJUQADLQDH-CLORWUCXSA-N 1 3 339.527 3.256 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000245746805 455371971 /nfs/dbraw/zinc/37/19/71/455371971.db2.gz SRDOTJUQADLQDH-CZAYHTPWSA-N 1 3 339.527 3.256 10 0 EGAEHO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1)C(C)C ZINC000268079700 455589404 /nfs/dbraw/zinc/58/94/04/455589404.db2.gz CTFXFOWMTUVHRL-LJQANCHMSA-N 1 3 331.504 3.083 10 0 EGAEHO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1)C(C)C ZINC000268079700 455589407 /nfs/dbraw/zinc/58/94/07/455589407.db2.gz CTFXFOWMTUVHRL-LJQANCHMSA-N 1 3 331.504 3.083 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248070526 455677208 /nfs/dbraw/zinc/67/72/08/455677208.db2.gz GCLRZSOLNBUYPJ-IAGOWNOFSA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248070526 455677212 /nfs/dbraw/zinc/67/72/12/455677212.db2.gz GCLRZSOLNBUYPJ-IAGOWNOFSA-N 1 3 347.503 3.266 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000248070526 455677216 /nfs/dbraw/zinc/67/72/16/455677216.db2.gz GCLRZSOLNBUYPJ-IAGOWNOFSA-N 1 3 347.503 3.266 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000249484676 455757786 /nfs/dbraw/zinc/75/77/86/455757786.db2.gz UDGWEJPXQNOFDL-HOCLYGCPSA-N 1 3 336.442 3.276 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000249484676 455757793 /nfs/dbraw/zinc/75/77/93/455757793.db2.gz UDGWEJPXQNOFDL-HOCLYGCPSA-N 1 3 336.442 3.276 10 0 EGAEHO C[C@H](NCCCC[NH+](C)C)c1ccccc1I ZINC000269056268 455777812 /nfs/dbraw/zinc/77/78/12/455777812.db2.gz WUHXXCVHOMVAAV-LBPRGKRZSA-N 1 3 346.256 3.284 10 0 EGAEHO [NH3+]C[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)C[C@H]1c1ccccc1 ZINC000261822251 455954447 /nfs/dbraw/zinc/95/44/47/455954447.db2.gz YANAPRIFPXDKBP-QUCCMNQESA-N 1 3 332.451 3.251 10 0 EGAEHO COc1cccc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098441 456479022 /nfs/dbraw/zinc/47/90/22/456479022.db2.gz SLVQCIKCALWVJH-MJGOQNOKSA-N 1 3 339.483 3.133 10 0 EGAEHO COc1cccc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000348098441 456479025 /nfs/dbraw/zinc/47/90/25/456479025.db2.gz SLVQCIKCALWVJH-MJGOQNOKSA-N 1 3 339.483 3.133 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000353383582 456663670 /nfs/dbraw/zinc/66/36/70/456663670.db2.gz GEOUEESTZMQPEY-FJIDUMEYSA-N 1 3 330.472 3.371 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000353383582 456663675 /nfs/dbraw/zinc/66/36/75/456663675.db2.gz GEOUEESTZMQPEY-FJIDUMEYSA-N 1 3 330.472 3.371 10 0 EGAEHO COC1(C[C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000277057210 456666839 /nfs/dbraw/zinc/66/68/39/456666839.db2.gz HRXIMQXTPHKXEL-AZUAARDMSA-N 1 3 330.516 3.488 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353522901 456734056 /nfs/dbraw/zinc/73/40/56/456734056.db2.gz SPFLJWJTTJKGQF-BHIYHBOVSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353522901 456734063 /nfs/dbraw/zinc/73/40/63/456734063.db2.gz SPFLJWJTTJKGQF-BHIYHBOVSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353522901 456734069 /nfs/dbraw/zinc/73/40/69/456734069.db2.gz SPFLJWJTTJKGQF-BHIYHBOVSA-N 1 3 342.462 3.282 10 0 EGAEHO CCc1ccc(CN2CCC(CCC[N@H+](C)CCOC)CC2)nc1 ZINC000339059608 456920712 /nfs/dbraw/zinc/92/07/12/456920712.db2.gz GEAVHWNNUASWEY-UHFFFAOYSA-N 1 3 333.520 3.214 10 0 EGAEHO CCc1ccc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)nc1 ZINC000339059608 456920716 /nfs/dbraw/zinc/92/07/16/456920716.db2.gz GEAVHWNNUASWEY-UHFFFAOYSA-N 1 3 333.520 3.214 10 0 EGAEHO CN1CCC2(CCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)CC1 ZINC000355032305 457338095 /nfs/dbraw/zinc/33/80/95/457338095.db2.gz AKAJGCQXJHTIJR-UHFFFAOYSA-N 1 3 328.485 3.265 10 0 EGAEHO CN1CCC2(CCC[N@H+]2Cc2cnc(-c3ccncc3)s2)CC1 ZINC000355032305 457338099 /nfs/dbraw/zinc/33/80/99/457338099.db2.gz AKAJGCQXJHTIJR-UHFFFAOYSA-N 1 3 328.485 3.265 10 0 EGAEHO c1cc(-c2ccc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)o2)n[nH]1 ZINC000355221069 457348900 /nfs/dbraw/zinc/34/89/00/457348900.db2.gz NTRIVFRZGMPBEE-KRWDZBQOSA-N 1 3 336.439 3.281 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352448173 457376317 /nfs/dbraw/zinc/37/63/17/457376317.db2.gz FKHREPNBKJILQX-KRWDZBQOSA-N 1 3 326.488 3.297 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H](CNCc2ccccc2-c2ccnn2C)C1 ZINC000352448173 457376326 /nfs/dbraw/zinc/37/63/26/457376326.db2.gz FKHREPNBKJILQX-KRWDZBQOSA-N 1 3 326.488 3.297 10 0 EGAEHO CC(C)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352448173 457376335 /nfs/dbraw/zinc/37/63/35/457376335.db2.gz FKHREPNBKJILQX-KRWDZBQOSA-N 1 3 326.488 3.297 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358178641 457839392 /nfs/dbraw/zinc/83/93/92/457839392.db2.gz DKMUYKJBOOLOOS-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358178641 457839395 /nfs/dbraw/zinc/83/93/95/457839395.db2.gz DKMUYKJBOOLOOS-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000428337089 458123481 /nfs/dbraw/zinc/12/34/81/458123481.db2.gz GOWGJZXNTLHRIF-UTKZUKDTSA-N 1 3 345.531 3.324 10 0 EGAEHO c1cn(Cc2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cc2)cn1 ZINC000436469057 458307679 /nfs/dbraw/zinc/30/76/79/458307679.db2.gz TWDAIHLWMNWASC-UHFFFAOYSA-N 1 3 347.466 3.085 10 0 EGAEHO C[C@@H]1C[C@@H](CCNCc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438687 458370853 /nfs/dbraw/zinc/37/08/53/458370853.db2.gz JIDCZEJHZPQFMS-IEBWSBKVSA-N 1 3 349.482 3.120 10 0 EGAEHO C[C@@H]1C[C@@H](CCNCc2cn3cccnc3n2)C[N@H+]1Cc1ccccc1 ZINC000459438687 458370856 /nfs/dbraw/zinc/37/08/56/458370856.db2.gz JIDCZEJHZPQFMS-IEBWSBKVSA-N 1 3 349.482 3.120 10 0 EGAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccc4cncn4c3)CC2)C1 ZINC000459663283 458440071 /nfs/dbraw/zinc/44/00/71/458440071.db2.gz WTVWMGNUIKHCSQ-APWZRJJASA-N 1 3 326.488 3.467 10 0 EGAEHO C[N@@H+]1CCC[C@@H](CCNCc2ccccc2OCC(F)(F)F)C1 ZINC000459740292 458464813 /nfs/dbraw/zinc/46/48/13/458464813.db2.gz UBYBNHCNXYYZDF-AWEZNQCLSA-N 1 3 330.394 3.449 10 0 EGAEHO C[N@H+]1CCC[C@@H](CCNCc2ccccc2OCC(F)(F)F)C1 ZINC000459740292 458464818 /nfs/dbraw/zinc/46/48/18/458464818.db2.gz UBYBNHCNXYYZDF-AWEZNQCLSA-N 1 3 330.394 3.449 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430680407 458479620 /nfs/dbraw/zinc/47/96/20/458479620.db2.gz SKUMMXNLLISDOO-DFQSSKMNSA-N 1 3 343.515 3.030 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430680407 458479621 /nfs/dbraw/zinc/47/96/21/458479621.db2.gz SKUMMXNLLISDOO-DFQSSKMNSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424367732 458626288 /nfs/dbraw/zinc/62/62/88/458626288.db2.gz NOTAPZIWNVLEQO-VCTAVGKDSA-N 1 3 329.257 3.379 10 0 EGAEHO C[C@@H]1CC2(CN1Cc1cnc(-c3ccccn3)s1)CC[NH2+]CC2 ZINC000424379293 458629108 /nfs/dbraw/zinc/62/91/08/458629108.db2.gz OJBBNUWIAWXCDZ-CQSZACIVSA-N 1 3 328.485 3.169 10 0 EGAEHO CCCOc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248723 458730187 /nfs/dbraw/zinc/73/01/87/458730187.db2.gz OOBLYSPJRJDGRS-FQEVSTJZSA-N 1 3 332.488 3.066 10 0 EGAEHO CCOc1ccccc1OCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000441184645 458897383 /nfs/dbraw/zinc/89/73/83/458897383.db2.gz WISMCLVVTHNSHR-UHFFFAOYSA-N 1 3 332.488 3.272 10 0 EGAEHO C[NH+](C)CCCCC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000577355326 459021119 /nfs/dbraw/zinc/02/11/19/459021119.db2.gz SJQZLRMJSPVRRT-UHFFFAOYSA-N 1 3 325.541 3.077 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCC2 ZINC000594505665 459066205 /nfs/dbraw/zinc/06/62/05/459066205.db2.gz ZLNDXHNMOHPZCF-FQEVSTJZSA-N 1 3 342.483 3.315 10 0 EGAEHO Fc1ccccc1-c1nc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000577854104 459107098 /nfs/dbraw/zinc/10/70/98/459107098.db2.gz CPCNUIVEGATLIZ-OKILXGFUSA-N 1 3 331.460 3.381 10 0 EGAEHO CCC[C@@H](C)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412409 459154763 /nfs/dbraw/zinc/15/47/63/459154763.db2.gz YZMJIIREXJMILO-TZIWHRDSSA-N 1 3 329.532 3.315 10 0 EGAEHO CCC[C@@H](C)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000558412409 459154772 /nfs/dbraw/zinc/15/47/72/459154772.db2.gz YZMJIIREXJMILO-TZIWHRDSSA-N 1 3 329.532 3.315 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCN1C ZINC000578650977 459237858 /nfs/dbraw/zinc/23/78/58/459237858.db2.gz VHAFCACMMWQJAJ-YZGWKJHDSA-N 1 3 327.516 3.256 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000560514260 459363312 /nfs/dbraw/zinc/36/33/12/459363312.db2.gz VLGDLKQTFDMQPA-BDTNDASRSA-N 1 3 341.543 3.422 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000560514264 459363771 /nfs/dbraw/zinc/36/37/71/459363771.db2.gz VLGDLKQTFDMQPA-BHDDXSALSA-N 1 3 341.543 3.422 10 0 EGAEHO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000560540404 459369683 /nfs/dbraw/zinc/36/96/83/459369683.db2.gz WHVMOTIXQDNNKH-XUVXKRRUSA-N 1 3 346.515 3.373 10 0 EGAEHO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000560540402 459369963 /nfs/dbraw/zinc/36/99/63/459369963.db2.gz WHVMOTIXQDNNKH-AQNXPRMDSA-N 1 3 346.515 3.373 10 0 EGAEHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(Cl)c(F)c1 ZINC000562463387 459566578 /nfs/dbraw/zinc/56/65/78/459566578.db2.gz AORFJAGNQGDUGJ-ZDUSSCGKSA-N 1 3 327.875 3.156 10 0 EGAEHO CCCN(CC)C[C@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000583664026 459576922 /nfs/dbraw/zinc/57/69/22/459576922.db2.gz GOWDPFYEPSABFV-IBGZPJMESA-N 1 3 331.548 3.404 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCCCNC1 ZINC000562748210 459640571 /nfs/dbraw/zinc/64/05/71/459640571.db2.gz ZUVDVRBHZKFQET-IUODEOHRSA-N 1 3 343.393 3.154 10 0 EGAEHO COc1cccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H](N)c4ccccc43)C2)c1 ZINC000584047356 459640746 /nfs/dbraw/zinc/64/07/46/459640746.db2.gz NBXHDBDNHGFFAP-RVHYNSKXSA-N 1 3 337.467 3.398 10 0 EGAEHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](N)c4ccccc43)C2)c1 ZINC000584047355 459641109 /nfs/dbraw/zinc/64/11/09/459641109.db2.gz NBXHDBDNHGFFAP-ONGXBYRLSA-N 1 3 337.467 3.398 10 0 EGAEHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011724 459796172 /nfs/dbraw/zinc/79/61/72/459796172.db2.gz IXJFMBOBIQRGFF-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011724 459796175 /nfs/dbraw/zinc/79/61/75/459796175.db2.gz IXJFMBOBIQRGFF-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO FCCCN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000626069593 460361653 /nfs/dbraw/zinc/36/16/53/460361653.db2.gz BSGMZNAUFNYOJN-UHFFFAOYSA-N 1 3 333.495 3.150 10 0 EGAEHO CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CCN(CC)C1 ZINC000617925103 461024398 /nfs/dbraw/zinc/02/43/98/461024398.db2.gz FIOHXFWDVPMKTE-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccc(Cl)cc2)C1 ZINC000652361195 461155546 /nfs/dbraw/zinc/15/55/46/461155546.db2.gz ZLWUHPNUHPUGSK-BPQIPLTHSA-N 1 3 338.879 3.080 10 0 EGAEHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299041 461177854 /nfs/dbraw/zinc/17/78/54/461177854.db2.gz ZIMPTFGUOUHPIR-DOTOQJQBSA-N 1 3 347.478 3.173 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662387993 461228393 /nfs/dbraw/zinc/22/83/93/461228393.db2.gz YFRQQLVRUPWHEJ-MBOZVWFJSA-N 1 3 343.515 3.095 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000655719660 461389633 /nfs/dbraw/zinc/38/96/33/461389633.db2.gz USUUXQCUTMPQLD-QAPCUYQASA-N 1 3 334.529 3.017 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)C(C[C@H]1CCCO1)C(F)(F)F ZINC000653044905 461474045 /nfs/dbraw/zinc/47/40/45/461474045.db2.gz IICLSLUSXXDHFJ-KGLIPLIRSA-N 1 3 344.377 3.482 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000647248843 461588043 /nfs/dbraw/zinc/58/80/43/461588043.db2.gz KEALVUDATZIXIB-UXHICEINSA-N 1 3 347.462 3.375 10 0 EGAEHO [NH3+]C1CCC(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)CC1 ZINC000638850403 461617150 /nfs/dbraw/zinc/61/71/50/461617150.db2.gz FQKTYYUEFARAFD-SOAGJPPSSA-N 1 3 343.515 3.065 10 0 EGAEHO C[C@@H](NCC1(c2cccc(OC(F)(F)F)c2)CCC1)C1C[NH2+]C1 ZINC000656199892 461643897 /nfs/dbraw/zinc/64/38/97/461643897.db2.gz GEBRVHLPBBOYQO-GFCCVEGCSA-N 1 3 328.378 3.204 10 0 EGAEHO C[C@@H]([NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1)C1CNC1 ZINC000656199892 461643903 /nfs/dbraw/zinc/64/39/03/461643903.db2.gz GEBRVHLPBBOYQO-GFCCVEGCSA-N 1 3 328.378 3.204 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631223269 461653208 /nfs/dbraw/zinc/65/32/08/461653208.db2.gz ZOUSIVOGWNNYIJ-QYKUSJBESA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631223269 461653212 /nfs/dbraw/zinc/65/32/12/461653212.db2.gz ZOUSIVOGWNNYIJ-QYKUSJBESA-N 1 3 347.300 3.304 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000663502142 461674626 /nfs/dbraw/zinc/67/46/26/461674626.db2.gz GMTITVQDUYCDLX-RHSMWYFYSA-N 1 3 339.911 3.040 10 0 EGAEHO O=C(Nc1ccc2c(c1)CNCC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000669511041 461708052 /nfs/dbraw/zinc/70/80/52/461708052.db2.gz KYVYKTGHGIEEBT-UHFFFAOYSA-N 1 3 349.478 3.127 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489623 461745167 /nfs/dbraw/zinc/74/51/67/461745167.db2.gz HPVONWVZQJACNY-BOUXLOLZSA-N 1 3 325.456 3.420 10 0 EGAEHO c1ccc2c(c1)O[C@H](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CS2 ZINC000647800935 461843842 /nfs/dbraw/zinc/84/38/42/461843842.db2.gz MKPXEMMAEMVFHZ-VQHPVUNQSA-N 1 3 332.513 3.440 10 0 EGAEHO COc1cc2c(cc1CN1CCC[C@H](C3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000656785206 461895002 /nfs/dbraw/zinc/89/50/02/461895002.db2.gz KOUCCGCMMXKQFM-WBVHZDCISA-N 1 3 344.499 3.230 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786644 461897550 /nfs/dbraw/zinc/89/75/50/461897550.db2.gz VKNQWGSDTNFKDZ-MRXNPFEDSA-N 1 3 342.512 3.417 10 0 EGAEHO Cc1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c2ccccc2[nH+]1 ZINC000664239884 461993168 /nfs/dbraw/zinc/99/31/68/461993168.db2.gz SHYJSWUZGWHGSG-IBGZPJMESA-N 1 3 347.462 3.144 10 0 EGAEHO COC[C@@H](C)Oc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000667501741 462115571 /nfs/dbraw/zinc/11/55/71/462115571.db2.gz ISHNDUIWZGWQLK-GOSISDBHSA-N 1 3 346.515 3.408 10 0 EGAEHO Clc1cscc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657534580 462170738 /nfs/dbraw/zinc/17/07/38/462170738.db2.gz BBOYGMLBIRFBPM-UHFFFAOYSA-N 1 3 328.909 3.382 10 0 EGAEHO C[C@H]1C[C@@H]1c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536904 462171749 /nfs/dbraw/zinc/17/17/49/462171749.db2.gz TYCYKNUZNMFBFP-KXBFYZLASA-N 1 3 332.488 3.384 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c(Cl)ccc2cccnc21 ZINC000657572640 462187637 /nfs/dbraw/zinc/18/76/37/462187637.db2.gz DRLHWXNEFUTMIG-HNNXBMFYSA-N 1 3 348.922 3.250 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000648715016 462242487 /nfs/dbraw/zinc/24/24/87/462242487.db2.gz ZLOKLGXDWPXBQI-NJDAHSKKSA-N 1 3 346.515 3.143 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000648715016 462242493 /nfs/dbraw/zinc/24/24/93/462242493.db2.gz ZLOKLGXDWPXBQI-NJDAHSKKSA-N 1 3 346.515 3.143 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000665280461 462382883 /nfs/dbraw/zinc/38/28/83/462382883.db2.gz BZAFINKPQOFLBR-HZPDHXFCSA-N 1 3 325.294 3.269 10 0 EGAEHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000665280461 462382888 /nfs/dbraw/zinc/38/28/88/462382888.db2.gz BZAFINKPQOFLBR-HZPDHXFCSA-N 1 3 325.294 3.269 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc2ccccc2n1 ZINC000658106232 462386258 /nfs/dbraw/zinc/38/62/58/462386258.db2.gz GQCBKTNHAUSVAX-IRXDYDNUSA-N 1 3 328.504 3.157 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000658109333 462389866 /nfs/dbraw/zinc/38/98/66/462389866.db2.gz WDBXVVBGFOEOTL-PKOBYXMFSA-N 1 3 345.531 3.295 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000658136482 462400403 /nfs/dbraw/zinc/40/04/03/462400403.db2.gz HBSBNLUINTWGHP-UZLBHIALSA-N 1 3 339.483 3.116 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000658136482 462400407 /nfs/dbraw/zinc/40/04/07/462400407.db2.gz HBSBNLUINTWGHP-UZLBHIALSA-N 1 3 339.483 3.116 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144513 462406419 /nfs/dbraw/zinc/40/64/19/462406419.db2.gz MMQSJUBTLZCPDZ-FOIQADDNSA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144513 462406425 /nfs/dbraw/zinc/40/64/25/462406425.db2.gz MMQSJUBTLZCPDZ-FOIQADDNSA-N 1 3 328.431 3.243 10 0 EGAEHO OCC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000652037252 462412762 /nfs/dbraw/zinc/41/27/62/462412762.db2.gz KKZALUVHEUCRBT-PCCBWWKXSA-N 1 3 342.527 3.429 10 0 EGAEHO CC1(C)C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319087 462474970 /nfs/dbraw/zinc/47/49/70/462474970.db2.gz WWHGBLTWLHAXLT-MOPGFXCFSA-N 1 3 328.500 3.446 10 0 EGAEHO CC1(C)C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319087 462474974 /nfs/dbraw/zinc/47/49/74/462474974.db2.gz WWHGBLTWLHAXLT-MOPGFXCFSA-N 1 3 328.500 3.446 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH+]2CCC(OCC)CC2)CC1 ZINC000091677754 546664391 /nfs/dbraw/zinc/66/43/91/546664391.db2.gz LRHZTNUYXZXCOW-UHFFFAOYSA-N 1 3 345.531 3.220 10 0 EGAEHO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093324593 546684724 /nfs/dbraw/zinc/68/47/24/546684724.db2.gz OQUNBHWVBRBKED-QGZVFWFLSA-N 1 3 342.483 3.396 10 0 EGAEHO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093324593 546684729 /nfs/dbraw/zinc/68/47/29/546684729.db2.gz OQUNBHWVBRBKED-QGZVFWFLSA-N 1 3 342.483 3.396 10 0 EGAEHO Cc1nccn1CCCN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000371252265 547797626 /nfs/dbraw/zinc/79/76/26/547797626.db2.gz UQNIWNDTMYORSO-GOSISDBHSA-N 1 3 326.488 3.178 10 0 EGAEHO Cc1nccn1CCCN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000371252265 547797629 /nfs/dbraw/zinc/79/76/29/547797629.db2.gz UQNIWNDTMYORSO-GOSISDBHSA-N 1 3 326.488 3.178 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](OCC)C2)CC1 ZINC000676414311 549084994 /nfs/dbraw/zinc/08/49/94/549084994.db2.gz TYCAMROMZSURSU-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](OCC)C2)CC1 ZINC000676414311 549084998 /nfs/dbraw/zinc/08/49/98/549084998.db2.gz TYCAMROMZSURSU-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000678774110 549558597 /nfs/dbraw/zinc/55/85/97/549558597.db2.gz DUHBKNDKEFTBJT-MOPGFXCFSA-N 1 3 337.458 3.174 10 0 EGAEHO COCC[C@@H]1CCCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084502 549952364 /nfs/dbraw/zinc/95/23/64/549952364.db2.gz ILLYYPPUUXSGIF-SFHVURJKSA-N 1 3 334.504 3.266 10 0 EGAEHO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681084502 549952366 /nfs/dbraw/zinc/95/23/66/549952366.db2.gz ILLYYPPUUXSGIF-SFHVURJKSA-N 1 3 334.504 3.266 10 0 EGAEHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897214 574980966 /nfs/dbraw/zinc/98/09/66/574980966.db2.gz LYSAQKNVCAZMLX-SJORKVTESA-N 1 3 339.524 3.098 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000235127581 1296182239 /nfs/dbraw/zinc/18/22/39/1296182239.db2.gz VSRGUFVTDASGHC-DZGCQCFKSA-N 1 3 325.294 3.312 10 0 EGAEHO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000379633412 1297534979 /nfs/dbraw/zinc/53/49/79/1297534979.db2.gz UJPHYPFJMYMGDM-AEFFLSMTSA-N 1 3 325.456 3.233 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709994711 1298254801 /nfs/dbraw/zinc/25/48/01/1298254801.db2.gz DSKFECRMPSGLQX-RHSMWYFYSA-N 1 3 337.305 3.456 10 0 EGAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284255 1298280464 /nfs/dbraw/zinc/28/04/64/1298280464.db2.gz WXYGHKFQJMXAFE-BRWVUGGUSA-N 1 3 339.524 3.238 10 0 EGAEHO C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535620 1325195855 /nfs/dbraw/zinc/19/58/55/1325195855.db2.gz ZVSFNFIADXDNKR-DFBGVHRSSA-N 1 3 339.277 3.076 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(Br)c1 ZINC000925781282 1325299342 /nfs/dbraw/zinc/29/93/42/1325299342.db2.gz XXGJJIOVLNYQGF-JQWIXIFHSA-N 1 3 333.220 3.345 10 0 EGAEHO OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886593915 1303515959 /nfs/dbraw/zinc/51/59/59/1303515959.db2.gz BQJLTJKZBDRGCP-JRSUCEMESA-N 1 3 328.500 3.180 10 0 EGAEHO OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886593916 1303516231 /nfs/dbraw/zinc/51/62/31/1303516231.db2.gz BQJLTJKZBDRGCP-SXYSDOLCSA-N 1 3 328.500 3.180 10 0 EGAEHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2CCC3(CC3)CC2)CC1 ZINC000929428008 1328595345 /nfs/dbraw/zinc/59/53/45/1328595345.db2.gz OZNSZFWXEZTQHS-OALUTQOASA-N 1 3 333.564 3.447 10 0 EGAEHO C[N@@H+]1CCC[C@@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842897 1328717549 /nfs/dbraw/zinc/71/75/49/1328717549.db2.gz FNCVPSDWXNRNEP-IAGOWNOFSA-N 1 3 336.520 3.305 10 0 EGAEHO C[N@H+]1CCC[C@@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842897 1328717553 /nfs/dbraw/zinc/71/75/53/1328717553.db2.gz FNCVPSDWXNRNEP-IAGOWNOFSA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@@H]2C[N@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842897 1328717557 /nfs/dbraw/zinc/71/75/57/1328717557.db2.gz FNCVPSDWXNRNEP-IAGOWNOFSA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@@H]2C[N@@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842897 1328717562 /nfs/dbraw/zinc/71/75/62/1328717562.db2.gz FNCVPSDWXNRNEP-IAGOWNOFSA-N 1 3 336.520 3.305 10 0 EGAEHO COC(=O)C1=CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000858471063 1328770320 /nfs/dbraw/zinc/77/03/20/1328770320.db2.gz AVGKEZNSFRUBKD-LWYYNNOASA-N 1 3 340.467 3.033 10 0 EGAEHO COC(=O)C1=CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000858471063 1328770321 /nfs/dbraw/zinc/77/03/21/1328770321.db2.gz AVGKEZNSFRUBKD-LWYYNNOASA-N 1 3 340.467 3.033 10 0 EGAEHO CC(C)Cc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930135878 1328794964 /nfs/dbraw/zinc/79/49/64/1328794964.db2.gz HMYHACDGQNWDIY-KNQAVFIVSA-N 1 3 343.559 3.343 10 0 EGAEHO CC1([NH+]2CCCC2)CCC(NCc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000922502499 1322543901 /nfs/dbraw/zinc/54/39/01/1322543901.db2.gz DEWHUIYDJPBAML-UHFFFAOYSA-N 1 3 329.444 3.420 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1 ZINC000923027144 1322677989 /nfs/dbraw/zinc/67/79/89/1322677989.db2.gz ZSCPKWKWYVXPAV-NRFANRHFSA-N 1 3 340.467 3.415 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCN2CCCC[C@H]2C)n(C)n1 ZINC000924571902 1323057844 /nfs/dbraw/zinc/05/78/44/1323057844.db2.gz IYDUBLNFCMMZSZ-WSTZPKSXSA-N 1 3 332.536 3.294 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCN2CCCC[C@@H]2C)n(C)n1 ZINC000924571894 1323058303 /nfs/dbraw/zinc/05/83/03/1323058303.db2.gz IYDUBLNFCMMZSZ-BJLQDIEVSA-N 1 3 332.536 3.294 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000924939760 1323220605 /nfs/dbraw/zinc/22/06/05/1323220605.db2.gz XGDBRLHUQXLERM-CEMLEFRQSA-N 1 3 342.527 3.346 10 0 EGAEHO C[C@H](COCc1ccccc1)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931283656 1329085320 /nfs/dbraw/zinc/08/53/20/1329085320.db2.gz FYQHIARLXHKQJK-IBGZPJMESA-N 1 3 346.515 3.026 10 0 EGAEHO C[C@H](COCc1ccccc1)CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931283656 1329085326 /nfs/dbraw/zinc/08/53/26/1329085326.db2.gz FYQHIARLXHKQJK-IBGZPJMESA-N 1 3 346.515 3.026 10 0 EGAEHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481983 1325170296 /nfs/dbraw/zinc/17/02/96/1325170296.db2.gz PKIICUNHKATGMF-CWRNSKLLSA-N 1 3 331.460 3.200 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925511175 1325184735 /nfs/dbraw/zinc/18/47/35/1325184735.db2.gz HWZDGWMQKAPRRA-QZTJIDSGSA-N 1 3 326.488 3.184 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533167 1325194654 /nfs/dbraw/zinc/19/46/54/1325194654.db2.gz KKZZAOQZQYHDKM-ROUUACIJSA-N 1 3 331.504 3.164 10 0 EGAEHO Cc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646084 1325246302 /nfs/dbraw/zinc/24/63/02/1325246302.db2.gz SHTZBJRKPHLGHP-JKSUJKDBSA-N 1 3 347.894 3.225 10 0 EGAEHO c1ccc([C@H]2C[C@H]([NH2+][C@H]3CCNC[C@@H]3C3CCCC3)CCO2)nc1 ZINC000925690313 1325261531 /nfs/dbraw/zinc/26/15/31/1325261531.db2.gz UTUNCBYWESPEQA-FTEYMNFISA-N 1 3 329.488 3.060 10 0 EGAEHO O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730154 1325273399 /nfs/dbraw/zinc/27/33/99/1325273399.db2.gz OAACLHQJERWJTQ-FHWLQOOXSA-N 1 3 336.907 3.001 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(OC(F)(F)F)c1 ZINC000925785699 1325300934 /nfs/dbraw/zinc/30/09/34/1325300934.db2.gz VFNZIWNJWJQRBU-CMPLNLGQSA-N 1 3 338.320 3.481 10 0 EGAEHO Cc1cccc(C[C@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)c1 ZINC000925792258 1325302193 /nfs/dbraw/zinc/30/21/93/1325302193.db2.gz AIRQNNYDCJJVMV-PMACEKPBSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1ccc([C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858512 1325332660 /nfs/dbraw/zinc/33/26/60/1325332660.db2.gz UIHJZQSLXBZCEE-WMZOPIPTSA-N 1 3 346.471 3.094 10 0 EGAEHO CN(CC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)CC(C)(C)C ZINC001323062089 1387278628 /nfs/dbraw/zinc/27/86/28/1387278628.db2.gz FLMHEDOUBHCHDX-SFHVURJKSA-N 1 3 349.563 3.029 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001324099386 1387542156 /nfs/dbraw/zinc/54/21/56/1387542156.db2.gz VUYWTFBBDCLVCM-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCC1 ZINC001324466169 1387631953 /nfs/dbraw/zinc/63/19/53/1387631953.db2.gz CSNZIUMBIZNJQL-MOPGFXCFSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001324936787 1387834246 /nfs/dbraw/zinc/83/42/46/1387834246.db2.gz PKXONZLIKUSKOJ-OAQYLSRUSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001324936787 1387834255 /nfs/dbraw/zinc/83/42/55/1387834255.db2.gz PKXONZLIKUSKOJ-OAQYLSRUSA-N 1 3 349.563 3.435 10 0 EGAEHO CCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001327132367 1388395355 /nfs/dbraw/zinc/39/53/55/1388395355.db2.gz YHZVTVWJKMDTQE-WOJBJXKFSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001327132367 1388395361 /nfs/dbraw/zinc/39/53/61/1388395361.db2.gz YHZVTVWJKMDTQE-WOJBJXKFSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001264122095 1377140157 /nfs/dbraw/zinc/14/01/57/1377140157.db2.gz GFGOPBDSQCMDDJ-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001266119824 1377196194 /nfs/dbraw/zinc/19/61/94/1377196194.db2.gz NGMRDEXYPGKUKG-FQEVSTJZSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001266119824 1377196195 /nfs/dbraw/zinc/19/61/95/1377196195.db2.gz NGMRDEXYPGKUKG-FQEVSTJZSA-N 1 3 345.531 3.012 10 0 EGAEHO C[C@@H](c1ccccc1F)N1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546302 1377330543 /nfs/dbraw/zinc/33/05/43/1377330543.db2.gz SUAIRLJCKWXKGH-IRXDYDNUSA-N 1 3 349.494 3.057 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001269740387 1377568579 /nfs/dbraw/zinc/56/85/79/1377568579.db2.gz FOWWZYZWGDEJIE-UYAOXDASSA-N 1 3 345.531 3.054 10 0 EGAEHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CCC(C)(C)C)C2)CCC1 ZINC001270966206 1377620001 /nfs/dbraw/zinc/62/00/01/1377620001.db2.gz VQHGFALYGVEKHO-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](CCC(C)(C)C)C2)CCC1 ZINC001270966206 1377620002 /nfs/dbraw/zinc/62/00/02/1377620002.db2.gz VQHGFALYGVEKHO-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001270966433 1377620061 /nfs/dbraw/zinc/62/00/61/1377620061.db2.gz YBHGCZSAUNVTPS-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001270966433 1377620062 /nfs/dbraw/zinc/62/00/62/1377620062.db2.gz YBHGCZSAUNVTPS-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C(C)C)c(C)c1 ZINC001272344197 1377666230 /nfs/dbraw/zinc/66/62/30/1377666230.db2.gz RSTUZTMQTSROOK-UXHICEINSA-N 1 3 345.531 3.018 10 0 EGAEHO C[C@@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001276634335 1378182680 /nfs/dbraw/zinc/18/26/80/1378182680.db2.gz SMNQADDZIIAYFU-APWZRJJASA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001281939473 1378460031 /nfs/dbraw/zinc/46/00/31/1378460031.db2.gz GUUDRSVVMLRNEI-GOSISDBHSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001281939473 1378460033 /nfs/dbraw/zinc/46/00/33/1378460033.db2.gz GUUDRSVVMLRNEI-GOSISDBHSA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001282167564 1378482806 /nfs/dbraw/zinc/48/28/06/1378482806.db2.gz MDQSRSDJEWZTEE-ROUUACIJSA-N 1 3 345.531 3.161 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001283267277 1378777128 /nfs/dbraw/zinc/77/71/28/1378777128.db2.gz ASLYXBZQXSXEGG-OAHLLOKOSA-N 1 3 346.519 3.106 10 0 EGAEHO CCCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001284589641 1379991072 /nfs/dbraw/zinc/99/10/72/1379991072.db2.gz KFJVMIOCQXXVCK-INIZCTEOSA-N 1 3 325.541 3.172 10 0 EGAEHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CCCC1 ZINC001328457893 1388750270 /nfs/dbraw/zinc/75/02/70/1388750270.db2.gz AAGFJZVBAZUBQJ-INIZCTEOSA-N 1 3 331.504 3.036 10 0 EGAEHO CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001328588602 1388784460 /nfs/dbraw/zinc/78/44/60/1388784460.db2.gz HCVZNISENDRQNG-LJQANCHMSA-N 1 3 337.552 3.099 10 0 EGAEHO CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001328588602 1388784462 /nfs/dbraw/zinc/78/44/62/1388784462.db2.gz HCVZNISENDRQNG-LJQANCHMSA-N 1 3 337.552 3.099 10 0 EGAEHO C[C@H]1CN(CCN2CCCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001308040771 1384079162 /nfs/dbraw/zinc/07/91/62/1384079162.db2.gz PVBCLXQFFJEFGX-SFHVURJKSA-N 1 3 336.483 3.045 10 0 EGAEHO C[C@@H](COCc1ccccc1)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308041503 1384079962 /nfs/dbraw/zinc/07/99/62/1384079962.db2.gz VIXCYDRSMCUUAH-MOPGFXCFSA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@@H](COCc1ccccc1)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308041503 1384079969 /nfs/dbraw/zinc/07/99/69/1384079969.db2.gz VIXCYDRSMCUUAH-MOPGFXCFSA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@@H](COCc1ccccc1)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041503 1384079975 /nfs/dbraw/zinc/07/99/75/1384079975.db2.gz VIXCYDRSMCUUAH-MOPGFXCFSA-N 1 3 339.483 3.445 10 0 EGAEHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1=CCCCC1)N(C)C ZINC001316702356 1384530174 /nfs/dbraw/zinc/53/01/74/1384530174.db2.gz ZUEYGEVLVIAZGU-YZGWKJHDSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001316725242 1384544759 /nfs/dbraw/zinc/54/47/59/1384544759.db2.gz YDVKEBXZTXYSID-ATZDWAIDSA-N 1 3 346.519 3.056 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001316725242 1384544762 /nfs/dbraw/zinc/54/47/62/1384544762.db2.gz YDVKEBXZTXYSID-ATZDWAIDSA-N 1 3 346.519 3.056 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001316742276 1384556026 /nfs/dbraw/zinc/55/60/26/1384556026.db2.gz OXDWPJYCEXVNTE-IPMKNSEASA-N 1 3 335.536 3.042 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC[N@H+]1CC1=CCCCC1 ZINC001316742276 1384556028 /nfs/dbraw/zinc/55/60/28/1384556028.db2.gz OXDWPJYCEXVNTE-IPMKNSEASA-N 1 3 335.536 3.042 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001316771457 1384570334 /nfs/dbraw/zinc/57/03/34/1384570334.db2.gz GKIUTJDRTZYLHG-SFHVURJKSA-N 1 3 346.519 3.283 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001329041238 1388942121 /nfs/dbraw/zinc/94/21/21/1388942121.db2.gz ZPSZRPSPZRHHDC-HZPDHXFCSA-N 1 3 349.494 3.073 10 0 EGAEHO CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041523 1384814956 /nfs/dbraw/zinc/81/49/56/1384814956.db2.gz CMSZJCABLRUVCH-HKVOBHHDSA-N 1 3 337.552 3.099 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041523 1384814959 /nfs/dbraw/zinc/81/49/59/1384814959.db2.gz CMSZJCABLRUVCH-HKVOBHHDSA-N 1 3 337.552 3.099 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317099360 1384862028 /nfs/dbraw/zinc/86/20/28/1384862028.db2.gz BSQRQVQQKRJYOR-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317099360 1384862030 /nfs/dbraw/zinc/86/20/30/1384862030.db2.gz BSQRQVQQKRJYOR-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC001317103155 1384866724 /nfs/dbraw/zinc/86/67/24/1384866724.db2.gz DMXSTZIUJQOEQT-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001317103155 1384866729 /nfs/dbraw/zinc/86/67/29/1384866729.db2.gz DMXSTZIUJQOEQT-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317139681 1384906298 /nfs/dbraw/zinc/90/62/98/1384906298.db2.gz MXQPTTZNLGIGAG-RTBURBONSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317139681 1384906300 /nfs/dbraw/zinc/90/63/00/1384906300.db2.gz MXQPTTZNLGIGAG-RTBURBONSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001317173835 1384942976 /nfs/dbraw/zinc/94/29/76/1384942976.db2.gz QQVNPDWHLVKYPI-YSKLNCTFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1CCC ZINC001317173835 1384942978 /nfs/dbraw/zinc/94/29/78/1384942978.db2.gz QQVNPDWHLVKYPI-YSKLNCTFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317810798 1385508726 /nfs/dbraw/zinc/50/87/26/1385508726.db2.gz FRUJTSQSBNDVJT-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317810798 1385508731 /nfs/dbraw/zinc/50/87/31/1385508731.db2.gz FRUJTSQSBNDVJT-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001317883427 1385562487 /nfs/dbraw/zinc/56/24/87/1385562487.db2.gz BDVDHJXBXFRGGA-UHFFFAOYSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001317883427 1385562493 /nfs/dbraw/zinc/56/24/93/1385562493.db2.gz BDVDHJXBXFRGGA-UHFFFAOYSA-N 1 3 349.563 3.077 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001318543094 1385746219 /nfs/dbraw/zinc/74/62/19/1385746219.db2.gz WDYDFGFACBYVCO-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001318670165 1385827641 /nfs/dbraw/zinc/82/76/41/1385827641.db2.gz HSTXOFIDIKYPOX-QZTJIDSGSA-N 1 3 347.547 3.378 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H](C)c2cccc(F)c2)CCCC1 ZINC001318672017 1385830062 /nfs/dbraw/zinc/83/00/62/1385830062.db2.gz VQGJNXRRJZCRJS-INIZCTEOSA-N 1 3 349.494 3.246 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CCC2CCCC2)CC1)N(C)C ZINC001318914750 1385881057 /nfs/dbraw/zinc/88/10/57/1385881057.db2.gz IHGFTDBPMNMVRF-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001319663171 1386241772 /nfs/dbraw/zinc/24/17/72/1386241772.db2.gz MFHLKDPNYYSRJP-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830801 1386323941 /nfs/dbraw/zinc/32/39/41/1386323941.db2.gz GPTBELDTPNCOSX-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1ccccc1CN(C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322178735 1387089655 /nfs/dbraw/zinc/08/96/55/1387089655.db2.gz ZJPFXTBONWBDNY-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1CN(C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001322178735 1387089660 /nfs/dbraw/zinc/08/96/60/1387089660.db2.gz ZJPFXTBONWBDNY-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001322308256 1387153225 /nfs/dbraw/zinc/15/32/25/1387153225.db2.gz VQUHMWGIDIKENR-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001322308256 1387153227 /nfs/dbraw/zinc/15/32/27/1387153227.db2.gz VQUHMWGIDIKENR-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001329255771 1389035986 /nfs/dbraw/zinc/03/59/86/1389035986.db2.gz MUKSSXLYUJFTOM-WAYWQWQTSA-N 1 3 349.563 3.434 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC001698719040 1406363575 /nfs/dbraw/zinc/36/35/75/1406363575.db2.gz BUTNXJSKHAVCME-FQEVSTJZSA-N 1 3 345.531 3.313 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001330501876 1389434990 /nfs/dbraw/zinc/43/49/90/1389434990.db2.gz KJVRZPOMHYSUJB-OLHLWXQYSA-N 1 3 349.563 3.243 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001330501876 1389434992 /nfs/dbraw/zinc/43/49/92/1389434992.db2.gz KJVRZPOMHYSUJB-OLHLWXQYSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001331576940 1389811239 /nfs/dbraw/zinc/81/12/39/1389811239.db2.gz YCRCPFQPLWEWGR-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001331820267 1389879882 /nfs/dbraw/zinc/87/98/82/1389879882.db2.gz GSFJKRUYPRKODQ-VHKYSDTDSA-N 1 3 342.462 3.084 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001331920636 1389911350 /nfs/dbraw/zinc/91/13/50/1389911350.db2.gz ZSBULAULDLQIBI-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001332263957 1390068782 /nfs/dbraw/zinc/06/87/82/1390068782.db2.gz WAJXPZUVFKZQDL-ROUUACIJSA-N 1 3 335.536 3.092 10 0 EGAEHO CN(CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)C1CCC1 ZINC001332806806 1390191380 /nfs/dbraw/zinc/19/13/80/1390191380.db2.gz MPOYBIVPFKNRAH-SFHVURJKSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)CN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826516 1390195427 /nfs/dbraw/zinc/19/54/27/1390195427.db2.gz QCYLSRBYUFBLDM-ZWKOTPCHSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C)N(C)C ZINC001332882091 1390208310 /nfs/dbraw/zinc/20/83/10/1390208310.db2.gz QYDCTHFCKSEGMM-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001333012489 1390236314 /nfs/dbraw/zinc/23/63/14/1390236314.db2.gz AGMPFVXLZMOOPJ-KRWDZBQOSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001333457733 1390308625 /nfs/dbraw/zinc/30/86/25/1390308625.db2.gz MEDMWNUHDWAPSX-ROUUACIJSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001333457733 1390308635 /nfs/dbraw/zinc/30/86/35/1390308635.db2.gz MEDMWNUHDWAPSX-ROUUACIJSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001698804118 1406483267 /nfs/dbraw/zinc/48/32/67/1406483267.db2.gz SFTUSAAKXBWPGP-SJORKVTESA-N 1 3 341.515 3.016 10 0 EGAEHO CC(C)(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001479295642 1392206910 /nfs/dbraw/zinc/20/69/10/1392206910.db2.gz RPDMAXWWOGAMET-CALCHBBNSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001479476729 1392251634 /nfs/dbraw/zinc/25/16/34/1392251634.db2.gz WUOWGMZMJCRXQV-YSIASYRMSA-N 1 3 347.547 3.093 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1 ZINC001479748673 1392366403 /nfs/dbraw/zinc/36/64/03/1392366403.db2.gz ZXJBIORCPINCOK-IBGZPJMESA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC(C)(C)C1 ZINC001479748673 1392366404 /nfs/dbraw/zinc/36/64/04/1392366404.db2.gz ZXJBIORCPINCOK-IBGZPJMESA-N 1 3 345.531 3.134 10 0 EGAEHO CC/C=C\CCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479957397 1392494063 /nfs/dbraw/zinc/49/40/63/1392494063.db2.gz XNQIYDFIMWBAGW-JTGQJZMRSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C\CCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001479957397 1392494066 /nfs/dbraw/zinc/49/40/66/1392494066.db2.gz XNQIYDFIMWBAGW-JTGQJZMRSA-N 1 3 335.536 3.186 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)c1 ZINC001480067304 1392558950 /nfs/dbraw/zinc/55/89/50/1392558950.db2.gz ZTZSNFJDTSRQFD-FQEVSTJZSA-N 1 3 343.515 3.036 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccc(Cl)cc1 ZINC001480208139 1392623112 /nfs/dbraw/zinc/62/31/12/1392623112.db2.gz OTMHDWLTIAEMIF-RRQGHBQHSA-N 1 3 349.906 3.122 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001480286821 1392660120 /nfs/dbraw/zinc/66/01/20/1392660120.db2.gz VBMLETGNWKINEQ-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)c1ccc(CN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001481054175 1393107639 /nfs/dbraw/zinc/10/76/39/1393107639.db2.gz LPVJRHHLZHVPSE-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001481194394 1393147412 /nfs/dbraw/zinc/14/74/12/1393147412.db2.gz HFVQIMUDFJBBCP-UYAOXDASSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938773 1406678894 /nfs/dbraw/zinc/67/88/94/1406678894.db2.gz NWZIDNXJZMUBHK-QUCCMNQESA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001490580110 1394272586 /nfs/dbraw/zinc/27/25/86/1394272586.db2.gz OIIOJIAZESAFDF-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001490580110 1394272590 /nfs/dbraw/zinc/27/25/90/1394272590.db2.gz OIIOJIAZESAFDF-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CCC2=CCCCC2)CC1 ZINC001481520297 1394370617 /nfs/dbraw/zinc/37/06/17/1394370617.db2.gz KFZWENLCLKXHEW-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001481520297 1394370620 /nfs/dbraw/zinc/37/06/20/1394370620.db2.gz KFZWENLCLKXHEW-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001481696735 1394458126 /nfs/dbraw/zinc/45/81/26/1394458126.db2.gz SQYJEZHOUSDMAW-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001481696735 1394458128 /nfs/dbraw/zinc/45/81/28/1394458128.db2.gz SQYJEZHOUSDMAW-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001491264996 1394496709 /nfs/dbraw/zinc/49/67/09/1394496709.db2.gz SCCZSIFXKBFEFN-MOPGFXCFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001482369536 1394932008 /nfs/dbraw/zinc/93/20/08/1394932008.db2.gz NDPMYMDZCNCDCR-HUUCEWRRSA-N 1 3 339.911 3.178 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001483958395 1395162595 /nfs/dbraw/zinc/16/25/95/1395162595.db2.gz HEPUHHPYOTVAOF-WOJBJXKFSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)=CCN1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484053227 1395216091 /nfs/dbraw/zinc/21/60/91/1395216091.db2.gz BEYBFEUGVYNXHZ-FQEVSTJZSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CCN1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001484053227 1395216094 /nfs/dbraw/zinc/21/60/94/1395216094.db2.gz BEYBFEUGVYNXHZ-FQEVSTJZSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060943 1395224266 /nfs/dbraw/zinc/22/42/66/1395224266.db2.gz NDXQZXMBXSJKDX-XLIONFOSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060943 1395224268 /nfs/dbraw/zinc/22/42/68/1395224268.db2.gz NDXQZXMBXSJKDX-XLIONFOSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001484562188 1395448612 /nfs/dbraw/zinc/44/86/12/1395448612.db2.gz XHZPYSSPEBAPDS-IAGOWNOFSA-N 1 3 343.515 3.095 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001484618507 1395452480 /nfs/dbraw/zinc/45/24/80/1395452480.db2.gz SSUKHMBELVNEBK-AZUAARDMSA-N 1 3 347.547 3.189 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001485767809 1396145121 /nfs/dbraw/zinc/14/51/21/1396145121.db2.gz OEZOHFAIQILTQR-UHFFFAOYSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C)c(C[N@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001485767809 1396145122 /nfs/dbraw/zinc/14/51/22/1396145122.db2.gz OEZOHFAIQILTQR-UHFFFAOYSA-N 1 3 345.531 3.066 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1 ZINC001485780072 1396150195 /nfs/dbraw/zinc/15/01/95/1396150195.db2.gz RFNZIDMCAGJVSO-VQTJNVASSA-N 1 3 345.531 3.497 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC001486090138 1396176615 /nfs/dbraw/zinc/17/66/15/1396176615.db2.gz FQNDUGLHHDGMSA-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001492092604 1396303918 /nfs/dbraw/zinc/30/39/18/1396303918.db2.gz XDWLCHVDEVCXKK-IEBWSBKVSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cc(C)ccc1C ZINC001492966136 1396330051 /nfs/dbraw/zinc/33/00/51/1396330051.db2.gz QSICRMHYMXDTKS-SFHVURJKSA-N 1 3 345.531 3.287 10 0 EGAEHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cc(C)ccc1C ZINC001492966136 1396330052 /nfs/dbraw/zinc/33/00/52/1396330052.db2.gz QSICRMHYMXDTKS-SFHVURJKSA-N 1 3 345.531 3.287 10 0 EGAEHO C[C@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001494576915 1396475035 /nfs/dbraw/zinc/47/50/35/1396475035.db2.gz KINLYWFFEMCGMK-ROUUACIJSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001495601086 1396547849 /nfs/dbraw/zinc/54/78/49/1396547849.db2.gz DLFHAWZYAZTHCR-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)CCC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001495601086 1396547856 /nfs/dbraw/zinc/54/78/56/1396547856.db2.gz DLFHAWZYAZTHCR-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCCC1 ZINC001495964042 1396580281 /nfs/dbraw/zinc/58/02/81/1396580281.db2.gz WLQOPQTUOPLBDB-IBGZPJMESA-N 1 3 349.563 3.482 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001498454216 1396999705 /nfs/dbraw/zinc/99/97/05/1396999705.db2.gz AVDKOQCCROUIKG-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001498454216 1396999707 /nfs/dbraw/zinc/99/97/07/1396999707.db2.gz AVDKOQCCROUIKG-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001498456872 1397004612 /nfs/dbraw/zinc/00/46/12/1397004612.db2.gz QHKUYXWKWLOYGA-QGZVFWFLSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001498456872 1397004622 /nfs/dbraw/zinc/00/46/22/1397004622.db2.gz QHKUYXWKWLOYGA-QGZVFWFLSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001689365857 1403706061 /nfs/dbraw/zinc/70/60/61/1403706061.db2.gz PWTSKSSNFFICKD-LJQANCHMSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001689365857 1403706065 /nfs/dbraw/zinc/70/60/65/1403706065.db2.gz PWTSKSSNFFICKD-LJQANCHMSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502578 1404616187 /nfs/dbraw/zinc/61/61/87/1404616187.db2.gz ZWZBUOFBRSNBAE-MGBKSAOESA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502578 1404616191 /nfs/dbraw/zinc/61/61/91/1404616191.db2.gz ZWZBUOFBRSNBAE-MGBKSAOESA-N 1 3 349.563 3.434 10 0 EGAEHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001690628826 1404664060 /nfs/dbraw/zinc/66/40/60/1404664060.db2.gz WDHFWJXOJUBGPC-ROUUACIJSA-N 1 3 345.531 3.108 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097226 1405033705 /nfs/dbraw/zinc/03/37/05/1405033705.db2.gz HYCQETWQSROJEZ-WOJBJXKFSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691143377 1405076238 /nfs/dbraw/zinc/07/62/38/1405076238.db2.gz PJNRJTZRGKMETD-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C)CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691143377 1405076241 /nfs/dbraw/zinc/07/62/41/1405076241.db2.gz PJNRJTZRGKMETD-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001691172614 1405108193 /nfs/dbraw/zinc/10/81/93/1405108193.db2.gz LFTWZFTXEIPBNX-LNLFQRSKSA-N 1 3 349.563 3.172 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)N2CC[C@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394657 1405231992 /nfs/dbraw/zinc/23/19/92/1405231992.db2.gz BYOVUFZQMZYONK-MOPGFXCFSA-N 1 3 345.531 3.239 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CCCCCC2)C1 ZINC001691661612 1405395029 /nfs/dbraw/zinc/39/50/29/1405395029.db2.gz VWPZRHUGERGJPH-UYAOXDASSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CC[N@H+]2CCC2CCCCCC2)C1 ZINC001691661612 1405395031 /nfs/dbraw/zinc/39/50/31/1405395031.db2.gz VWPZRHUGERGJPH-UYAOXDASSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677655 1405412004 /nfs/dbraw/zinc/41/20/04/1405412004.db2.gz FOLDHUJFSXETDH-RBUKOAKNSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691680002 1405415676 /nfs/dbraw/zinc/41/56/76/1405415676.db2.gz ZUBINLSAZOZKHU-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731318048 1427259221 /nfs/dbraw/zinc/25/92/21/1427259221.db2.gz XJKZRQMGCVIDER-SJORKVTESA-N 1 3 349.494 3.057 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731318048 1427259224 /nfs/dbraw/zinc/25/92/24/1427259224.db2.gz XJKZRQMGCVIDER-SJORKVTESA-N 1 3 349.494 3.057 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001692234557 1405861454 /nfs/dbraw/zinc/86/14/54/1405861454.db2.gz OOMINZCWCZXXDY-CNTTWCMLSA-N 1 3 343.515 3.297 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001692234557 1405861459 /nfs/dbraw/zinc/86/14/59/1405861459.db2.gz OOMINZCWCZXXDY-CNTTWCMLSA-N 1 3 343.515 3.297 10 0 EGAEHO CC/C=C\CC[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732088346 1428350961 /nfs/dbraw/zinc/35/09/61/1428350961.db2.gz KQORDUGTHBBNPP-WAYWQWQTSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732088346 1428350966 /nfs/dbraw/zinc/35/09/66/1428350966.db2.gz KQORDUGTHBBNPP-WAYWQWQTSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001732312172 1428524782 /nfs/dbraw/zinc/52/47/82/1428524782.db2.gz QTKNUBYSXMUBTL-GUDVDZBRSA-N 1 3 335.536 3.233 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158523 1412542580 /nfs/dbraw/zinc/54/25/80/1412542580.db2.gz FTHLHAZTZXYCAN-AZUAARDMSA-N 1 3 345.531 3.162 10 0 EGAEHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001699464578 1412826787 /nfs/dbraw/zinc/82/67/87/1412826787.db2.gz SIZBVZYNIGMCFY-QUCCMNQESA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001699464578 1412826790 /nfs/dbraw/zinc/82/67/90/1412826790.db2.gz SIZBVZYNIGMCFY-QUCCMNQESA-N 1 3 345.531 3.194 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483312 1412878209 /nfs/dbraw/zinc/87/82/09/1412878209.db2.gz NISRWYJOXDPVMS-QZTJIDSGSA-N 1 3 337.552 3.029 10 0 EGAEHO CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699513883 1412900683 /nfs/dbraw/zinc/90/06/83/1412900683.db2.gz YEDJFMSCJDMBKH-QZTJIDSGSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1)N1CCCC1 ZINC001699626147 1412993140 /nfs/dbraw/zinc/99/31/40/1412993140.db2.gz JRSGUQIRRZHVOC-SFHVURJKSA-N 1 3 347.547 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1)N1CCCC1 ZINC001699626147 1412993144 /nfs/dbraw/zinc/99/31/44/1412993144.db2.gz JRSGUQIRRZHVOC-SFHVURJKSA-N 1 3 347.547 3.022 10 0 EGAEHO CC(C)(C(=O)N[C@H](C[NH2+]CCC1CC1)C1CCCC1)N1CCCCC1 ZINC001699790493 1413196889 /nfs/dbraw/zinc/19/68/89/1413196889.db2.gz QQRSSSFTDVGGHM-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699874773 1413328689 /nfs/dbraw/zinc/32/86/89/1413328689.db2.gz QTIPNTDIFNTCQY-LIXSYLKWSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699874773 1413328694 /nfs/dbraw/zinc/32/86/94/1413328694.db2.gz QTIPNTDIFNTCQY-LIXSYLKWSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001700124961 1413540896 /nfs/dbraw/zinc/54/08/96/1413540896.db2.gz JSGDFNWEKXHOKD-ASIGSXEYSA-N 1 3 335.536 3.186 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676473 1429871606 /nfs/dbraw/zinc/87/16/06/1429871606.db2.gz NDFNMFOTLQLWBT-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1cc(C)cc(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001700323946 1413791972 /nfs/dbraw/zinc/79/19/72/1413791972.db2.gz PHXOBKSZZFTJDT-QUCCMNQESA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001700323946 1413791978 /nfs/dbraw/zinc/79/19/78/1413791978.db2.gz PHXOBKSZZFTJDT-QUCCMNQESA-N 1 3 345.531 3.113 10 0 EGAEHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566284 1428758503 /nfs/dbraw/zinc/75/85/03/1428758503.db2.gz LRVBMHDIBCJIBW-HKUYNNGSSA-N 1 3 349.563 3.029 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001700365727 1413890076 /nfs/dbraw/zinc/89/00/76/1413890076.db2.gz XSBLSTJFUPWNFT-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001700365727 1413890080 /nfs/dbraw/zinc/89/00/80/1413890080.db2.gz XSBLSTJFUPWNFT-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700482608 1414122745 /nfs/dbraw/zinc/12/27/45/1414122745.db2.gz BIVIIOZYIUHEAP-HKUYNNGSSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001700482608 1414122749 /nfs/dbraw/zinc/12/27/49/1414122749.db2.gz BIVIIOZYIUHEAP-HKUYNNGSSA-N 1 3 345.531 3.088 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1 ZINC001732914091 1429044953 /nfs/dbraw/zinc/04/49/53/1429044953.db2.gz OYCKGHQBGKTRCM-GHOSXJJBSA-N 1 3 343.515 3.050 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001707113779 1417206696 /nfs/dbraw/zinc/20/66/96/1417206696.db2.gz BZOYBTUKGVPLFD-YZGWKJHDSA-N 1 3 349.563 3.173 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001707205288 1417244191 /nfs/dbraw/zinc/24/41/91/1417244191.db2.gz VXOUNOMVLHKCST-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001707205288 1417244196 /nfs/dbraw/zinc/24/41/96/1417244196.db2.gz VXOUNOMVLHKCST-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001713232581 1417819216 /nfs/dbraw/zinc/81/92/16/1417819216.db2.gz AHKFUGLXHXGOQD-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713233381 1417819691 /nfs/dbraw/zinc/81/96/91/1417819691.db2.gz QKQFKEUMBNTQES-DKFQHHCZSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001713418467 1418042362 /nfs/dbraw/zinc/04/23/62/1418042362.db2.gz CWSBAGOZIXJTNR-APWZRJJASA-N 1 3 349.494 3.073 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001713700145 1418456824 /nfs/dbraw/zinc/45/68/24/1418456824.db2.gz BJDFDPFBFGSWIB-FXAWDEMLSA-N 1 3 349.494 3.054 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163770 1418974149 /nfs/dbraw/zinc/97/41/49/1418974149.db2.gz WFOHPXBHXUCBFQ-FXAWDEMLSA-N 1 3 337.552 3.170 10 0 EGAEHO CCCCC[NH2+]CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001714287091 1419065682 /nfs/dbraw/zinc/06/56/82/1419065682.db2.gz JZWKZVWGXDAVIF-UHFFFAOYSA-N 1 3 337.552 3.127 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411059 1419150254 /nfs/dbraw/zinc/15/02/54/1419150254.db2.gz JHMGCRVWCDPERU-IAGOWNOFSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001714417833 1419154910 /nfs/dbraw/zinc/15/49/10/1419154910.db2.gz RBCFYCFNIVZNJC-IEJDHCNXSA-N 1 3 343.515 3.057 10 0 EGAEHO CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001714811406 1419522375 /nfs/dbraw/zinc/52/23/75/1419522375.db2.gz BPYMDDSHTOFSKO-PKOBYXMFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001714856672 1419574084 /nfs/dbraw/zinc/57/40/84/1419574084.db2.gz RWRRPJCYSDNRJI-RTBURBONSA-N 1 3 335.536 3.138 10 0 EGAEHO CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001714856672 1419574085 /nfs/dbraw/zinc/57/40/85/1419574085.db2.gz RWRRPJCYSDNRJI-RTBURBONSA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCCC1 ZINC001714973916 1419708836 /nfs/dbraw/zinc/70/88/36/1419708836.db2.gz AYZOWWQAMPUUGQ-IBGZPJMESA-N 1 3 349.563 3.482 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157007 1419899650 /nfs/dbraw/zinc/89/96/50/1419899650.db2.gz SZPHUWBPGYBWGM-UYAOXDASSA-N 1 3 347.547 3.047 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F ZINC001715251464 1419976242 /nfs/dbraw/zinc/97/62/42/1419976242.db2.gz BGXSBSDIIDRKTD-SFHVURJKSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001715252100 1419976466 /nfs/dbraw/zinc/97/64/66/1419976466.db2.gz GMNKGCBYZQVJQN-HKUYNNGSSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042615 1420505307 /nfs/dbraw/zinc/50/53/07/1420505307.db2.gz RANVQFDAXLHDLM-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001716042615 1420505309 /nfs/dbraw/zinc/50/53/09/1420505309.db2.gz RANVQFDAXLHDLM-IEBWSBKVSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)CN(C)CC(C)(C)C ZINC001716044339 1420507832 /nfs/dbraw/zinc/50/78/32/1420507832.db2.gz LGDZWYHAJJCVBN-LXPRWKDFSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@H](C[N@@H+](C)CC1CCC(C)CC1)NC(=O)CN(C)CC(C)(C)C ZINC001716044339 1420507833 /nfs/dbraw/zinc/50/78/33/1420507833.db2.gz LGDZWYHAJJCVBN-LXPRWKDFSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716066998 1420525100 /nfs/dbraw/zinc/52/51/00/1420525100.db2.gz KBTGILBTVZVGQC-IRXDYDNUSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1cc(CNC/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)s1 ZINC001716329975 1420606373 /nfs/dbraw/zinc/60/63/73/1420606373.db2.gz MVOQNHHZJYWRPG-WAYWQWQTSA-N 1 3 349.544 3.001 10 0 EGAEHO C[C@@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1)c1cccc(Cl)c1 ZINC001716684975 1420838355 /nfs/dbraw/zinc/83/83/55/1420838355.db2.gz KYXZMNNFHAUPRR-CQSZACIVSA-N 1 3 349.906 3.124 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001716725235 1420883963 /nfs/dbraw/zinc/88/39/63/1420883963.db2.gz TWVZDBKXLZALJI-NRFANRHFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001716725235 1420883966 /nfs/dbraw/zinc/88/39/66/1420883966.db2.gz TWVZDBKXLZALJI-NRFANRHFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CCC1 ZINC001717163441 1421153383 /nfs/dbraw/zinc/15/33/83/1421153383.db2.gz YCDHDNLQBZQHBD-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001717290056 1421237131 /nfs/dbraw/zinc/23/71/31/1421237131.db2.gz FWTBHXQZQACLIO-FXAWDEMLSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001733289236 1429466572 /nfs/dbraw/zinc/46/65/72/1429466572.db2.gz OWQVKEZZPPEJQG-FQEVSTJZSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC)C2 ZINC001733289236 1429466575 /nfs/dbraw/zinc/46/65/75/1429466575.db2.gz OWQVKEZZPPEJQG-FQEVSTJZSA-N 1 3 337.552 3.223 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1ccsc1 ZINC001717339098 1421276662 /nfs/dbraw/zinc/27/66/62/1421276662.db2.gz LSNWWOOPFUAWOL-FUHWJXTLSA-N 1 3 349.544 3.093 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001717422821 1421352676 /nfs/dbraw/zinc/35/26/76/1421352676.db2.gz LFTUUSHBRKBQIP-IRXDYDNUSA-N 1 3 337.552 3.314 10 0 EGAEHO CC/C=C/CC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCCC1 ZINC001717526782 1421462605 /nfs/dbraw/zinc/46/26/05/1421462605.db2.gz MFKCSIUYZJWQGB-SNAWJCMRSA-N 1 3 332.492 3.026 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001717555245 1421492339 /nfs/dbraw/zinc/49/23/39/1421492339.db2.gz RRYZRQPWENHQRU-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)CC2=CCCCC2)C(C)C)CC[N@@H+]1C ZINC001717948302 1421715394 /nfs/dbraw/zinc/71/53/94/1421715394.db2.gz JIOSEYPKXRFCDI-VQTJNVASSA-N 1 3 349.563 3.386 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)CC2=CCCCC2)C(C)C)CC[N@H+]1C ZINC001717948302 1421715397 /nfs/dbraw/zinc/71/53/97/1421715397.db2.gz JIOSEYPKXRFCDI-VQTJNVASSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCC1 ZINC001717973982 1421745695 /nfs/dbraw/zinc/74/56/95/1421745695.db2.gz PJQZOESZNPQLJF-QZTJIDSGSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@@H+]([C@@H](C)c2ccccc2C)CC1)N(C)C ZINC001718031283 1421783698 /nfs/dbraw/zinc/78/36/98/1421783698.db2.gz OOQNJPWCIVFKMZ-FXAWDEMLSA-N 1 3 343.515 3.145 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@H+]([C@@H](C)c2ccccc2C)CC1)N(C)C ZINC001718031283 1421783699 /nfs/dbraw/zinc/78/36/99/1421783699.db2.gz OOQNJPWCIVFKMZ-FXAWDEMLSA-N 1 3 343.515 3.145 10 0 EGAEHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384165 1429570599 /nfs/dbraw/zinc/57/05/99/1429570599.db2.gz RXSOEQDENUQHPW-DNVCBOLYSA-N 1 3 349.494 3.103 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001733457438 1429676924 /nfs/dbraw/zinc/67/69/24/1429676924.db2.gz DKCLHMKQWNYWSA-VKEZQZQQSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001733457438 1429676927 /nfs/dbraw/zinc/67/69/27/1429676927.db2.gz DKCLHMKQWNYWSA-VKEZQZQQSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001733458960 1429680611 /nfs/dbraw/zinc/68/06/11/1429680611.db2.gz JTHDDRIPNGUNRS-RTVDBWQISA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001733458960 1429680613 /nfs/dbraw/zinc/68/06/13/1429680613.db2.gz JTHDDRIPNGUNRS-RTVDBWQISA-N 1 3 349.563 3.435 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001722915814 1424252081 /nfs/dbraw/zinc/25/20/81/1424252081.db2.gz IENPCDQGLIAQLK-ORNUUZEQSA-N 1 3 343.515 3.011 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001722915814 1424252085 /nfs/dbraw/zinc/25/20/85/1424252085.db2.gz IENPCDQGLIAQLK-ORNUUZEQSA-N 1 3 343.515 3.011 10 0 EGAEHO CCCCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001723640037 1424505192 /nfs/dbraw/zinc/50/51/92/1424505192.db2.gz IOVAVBLNOSUJIU-FQEVSTJZSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001723640037 1424505194 /nfs/dbraw/zinc/50/51/94/1424505194.db2.gz IOVAVBLNOSUJIU-FQEVSTJZSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653350 1425017635 /nfs/dbraw/zinc/01/76/35/1425017635.db2.gz QJEZWFCCDREJKY-RGOLFUFTSA-N 1 3 349.563 3.384 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001724653350 1425017640 /nfs/dbraw/zinc/01/76/40/1425017640.db2.gz QJEZWFCCDREJKY-RGOLFUFTSA-N 1 3 349.563 3.384 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC(C)C1)C2 ZINC001724923847 1425312791 /nfs/dbraw/zinc/31/27/91/1425312791.db2.gz QTGLSEXVKIMGKC-UHFFFAOYSA-N 1 3 343.515 3.005 10 0 EGAEHO CC(C)N(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CC(C)C1)C2 ZINC001724923847 1425312798 /nfs/dbraw/zinc/31/27/98/1425312798.db2.gz QTGLSEXVKIMGKC-UHFFFAOYSA-N 1 3 343.515 3.005 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993942 1425398580 /nfs/dbraw/zinc/39/85/80/1425398580.db2.gz HJUWHEVGFCSKPQ-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CCCC1 ZINC001724993942 1425398586 /nfs/dbraw/zinc/39/85/86/1425398586.db2.gz HJUWHEVGFCSKPQ-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045513 1425475552 /nfs/dbraw/zinc/47/55/52/1425475552.db2.gz ZFOKRJIBHVVDOM-QZTJIDSGSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001725045513 1425475555 /nfs/dbraw/zinc/47/55/55/1425475555.db2.gz ZFOKRJIBHVVDOM-QZTJIDSGSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130530 1425599520 /nfs/dbraw/zinc/59/95/20/1425599520.db2.gz ROVFRUUOHGMMBB-JKSUJKDBSA-N 1 3 325.541 3.026 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC001725347610 1426001329 /nfs/dbraw/zinc/00/13/29/1426001329.db2.gz XRIBIMCSECINOS-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC001725347610 1426001335 /nfs/dbraw/zinc/00/13/35/1426001335.db2.gz XRIBIMCSECINOS-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001731550945 1427570282 /nfs/dbraw/zinc/57/02/82/1427570282.db2.gz YQIWXWDOKXUISP-WLMAVBAVSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001731572403 1427614153 /nfs/dbraw/zinc/61/41/53/1427614153.db2.gz YXCXQSGORUODPP-AOCRQIFASA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001731734967 1427814336 /nfs/dbraw/zinc/81/43/36/1427814336.db2.gz AJQKKLVCMRORDC-QZTJIDSGSA-N 1 3 345.531 3.136 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842345 1428065517 /nfs/dbraw/zinc/06/55/17/1428065517.db2.gz PDDMFJAGFLSHKN-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842345 1428065532 /nfs/dbraw/zinc/06/55/32/1428065532.db2.gz PDDMFJAGFLSHKN-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccc(F)c1 ZINC001731867173 1428115617 /nfs/dbraw/zinc/11/56/17/1428115617.db2.gz VKOMTTUXUINBAE-UHFFFAOYSA-N 1 3 349.494 3.028 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001733761713 1429976459 /nfs/dbraw/zinc/97/64/59/1429976459.db2.gz YOGHOUMZKXHZRU-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)C)CC1 ZINC001733761713 1429976463 /nfs/dbraw/zinc/97/64/63/1429976463.db2.gz YOGHOUMZKXHZRU-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001733782532 1430048771 /nfs/dbraw/zinc/04/87/71/1430048771.db2.gz JXGWCGHSLIKNGB-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001733782532 1430048775 /nfs/dbraw/zinc/04/87/75/1430048775.db2.gz JXGWCGHSLIKNGB-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CC1([NH2+]CCCC2CCCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001733868198 1437695043 /nfs/dbraw/zinc/69/50/43/1437695043.db2.gz BRQHDTLUJKIJIY-UHFFFAOYSA-N 1 3 335.536 3.023 10 0 EGAEHO CC(C)CC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001734014230 1437805031 /nfs/dbraw/zinc/80/50/31/1437805031.db2.gz ZEXITLXAVCAJEG-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)c1ccc([C@@H](C)N2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122090 1437902031 /nfs/dbraw/zinc/90/20/31/1437902031.db2.gz ZAIOBZFTUKSIBO-IAGOWNOFSA-N 1 3 345.531 3.259 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001734194660 1437935532 /nfs/dbraw/zinc/93/55/32/1437935532.db2.gz UENFPZDYPYWNER-SLFFLAALSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001734194660 1437935535 /nfs/dbraw/zinc/93/55/35/1437935535.db2.gz UENFPZDYPYWNER-SLFFLAALSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@H](C)c1ccccc1F)C1CC1 ZINC001734308923 1438040310 /nfs/dbraw/zinc/04/03/10/1438040310.db2.gz PMOIFFGAVLEZMS-BEFAXECRSA-N 1 3 349.494 3.054 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001734394684 1438080099 /nfs/dbraw/zinc/08/00/99/1438080099.db2.gz JVTPTKFAQBAIJJ-APWZRJJASA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001734566711 1438162025 /nfs/dbraw/zinc/16/20/25/1438162025.db2.gz DWMOZNGGLKRWKK-MRXNPFEDSA-N 1 3 325.541 3.027 10 0 EGAEHO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccc(CN4CCCC4)cn3)c2O1 ZINC000067772484 215208850 /nfs/dbraw/zinc/20/88/50/215208850.db2.gz CALZTZGEOSWGML-MRXNPFEDSA-N 1 3 343.858 3.260 10 0 EGAEHO C[C@H]([NH2+]CCCc1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000181491893 234204115 /nfs/dbraw/zinc/20/41/15/234204115.db2.gz OBMSRSFZDNKEKC-KRWDZBQOSA-N 1 3 327.472 3.305 10 0 EGAEHO CSC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000133124904 223390321 /nfs/dbraw/zinc/39/03/21/223390321.db2.gz NDNIHWXKSNDCSB-APWZRJJASA-N 1 3 334.529 3.181 10 0 EGAEHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000246832176 141037252 /nfs/dbraw/zinc/03/72/52/141037252.db2.gz ALSAMGSZCPNMGE-PMACEKPBSA-N 1 3 333.495 3.079 10 0 EGAEHO CCO[C@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222633 144127901 /nfs/dbraw/zinc/12/79/01/144127901.db2.gz LBUSXWKGMCUJEJ-MOPGFXCFSA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222633 144127903 /nfs/dbraw/zinc/12/79/03/144127903.db2.gz LBUSXWKGMCUJEJ-MOPGFXCFSA-N 1 3 338.536 3.205 10 0 EGAEHO CCO[C@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)C12CCOCC2 ZINC000186222633 144127905 /nfs/dbraw/zinc/12/79/05/144127905.db2.gz LBUSXWKGMCUJEJ-MOPGFXCFSA-N 1 3 338.536 3.205 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)ccn1 ZINC000341392766 155265889 /nfs/dbraw/zinc/26/58/89/155265889.db2.gz DZGDXCQRXYYTNK-VAMGGRTRSA-N 1 3 343.515 3.483 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192110258 153243623 /nfs/dbraw/zinc/24/36/23/153243623.db2.gz HLQOWVXCQAQNJJ-XLIONFOSSA-N 1 3 326.488 3.343 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192110258 153243627 /nfs/dbraw/zinc/24/36/27/153243627.db2.gz HLQOWVXCQAQNJJ-XLIONFOSSA-N 1 3 326.488 3.343 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310071714 154138036 /nfs/dbraw/zinc/13/80/36/154138036.db2.gz ACKOZLLJAXITGS-VURPSTOHSA-N 1 3 329.532 3.217 10 0 EGAEHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1O ZINC000310950096 154144441 /nfs/dbraw/zinc/14/44/41/154144441.db2.gz LUGFHYXWMZCTQL-APWZRJJASA-N 1 3 340.467 3.401 10 0 EGAEHO C[NH+]1CCC([C@H]2CCN(Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000349131034 156363654 /nfs/dbraw/zinc/36/36/54/156363654.db2.gz PGKAWNRDSOHCLZ-KRWDZBQOSA-N 1 3 342.512 3.369 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248648338 163026680 /nfs/dbraw/zinc/02/66/80/163026680.db2.gz JPEUJAKVLPFPEO-SESVDKBCSA-N 1 3 348.531 3.149 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248648338 163026682 /nfs/dbraw/zinc/02/66/82/163026682.db2.gz JPEUJAKVLPFPEO-SESVDKBCSA-N 1 3 348.531 3.149 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2(COC)CCC2)CC1 ZINC000337242560 163176082 /nfs/dbraw/zinc/17/60/82/163176082.db2.gz GERCHZAWAZBWOZ-UHFFFAOYSA-N 1 3 345.531 3.125 10 0 EGAEHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352082145 165224860 /nfs/dbraw/zinc/22/48/60/165224860.db2.gz HXYVITCLRRXEFL-FHLIZLRMSA-N 1 3 339.886 3.298 10 0 EGAEHO CC[C@H](C)N[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566550 167195303 /nfs/dbraw/zinc/19/53/03/167195303.db2.gz WAXVDHWHOYAIDN-BBWFWOEESA-N 1 3 335.492 3.090 10 0 EGAEHO CC[C@H](C)N[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000359566550 167195306 /nfs/dbraw/zinc/19/53/06/167195306.db2.gz WAXVDHWHOYAIDN-BBWFWOEESA-N 1 3 335.492 3.090 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000677854746 549344037 /nfs/dbraw/zinc/34/40/37/549344037.db2.gz ZGWZTJHAZCGBIM-HKUYNNGSSA-N 1 3 334.504 3.310 10 0 EGAEHO C[C@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000278831053 275278874 /nfs/dbraw/zinc/27/88/74/275278874.db2.gz TZITVOLKMYOYJR-NXOAAHMSSA-N 1 3 342.405 3.085 10 0 EGAEHO OC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414295046 309071140 /nfs/dbraw/zinc/07/11/40/309071140.db2.gz CYAIVDVTGCMQMY-VQTJNVASSA-N 1 3 328.500 3.182 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](OC)C(C)(C)C)CC1 ZINC000236783549 307944166 /nfs/dbraw/zinc/94/41/66/307944166.db2.gz QHSWQLJHVOQFEV-HXUWFJFHSA-N 1 3 347.547 3.369 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000414498013 309084653 /nfs/dbraw/zinc/08/46/53/309084653.db2.gz LXJSAZOCVBJOLG-FUHWJXTLSA-N 1 3 333.545 3.202 10 0 EGAEHO c1ccc(N2CC[C@H](C[NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000298291149 308600931 /nfs/dbraw/zinc/60/09/31/308600931.db2.gz HFZVHQKKMKDBSV-GOSISDBHSA-N 1 3 336.483 3.167 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000414816263 309103355 /nfs/dbraw/zinc/10/33/55/309103355.db2.gz ZSVJTWCBAPANGW-KBPBESRZSA-N 1 3 329.419 3.352 10 0 EGAEHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)c1 ZINC000414863166 309106152 /nfs/dbraw/zinc/10/61/52/309106152.db2.gz WYMOQFKRXXSRKB-OAHLLOKOSA-N 1 3 333.476 3.054 10 0 EGAEHO CC(C)C[C@H](N)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415079084 309118921 /nfs/dbraw/zinc/11/89/21/309118921.db2.gz HEZJDTJVXZQTBN-QAPCUYQASA-N 1 3 340.471 3.358 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000420314115 309281482 /nfs/dbraw/zinc/28/14/82/309281482.db2.gz YUEBCZSNKIIDBM-PXNSSMCTSA-N 1 3 332.488 3.161 10 0 EGAEHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422701611 309363920 /nfs/dbraw/zinc/36/39/20/309363920.db2.gz DLKAMCVRXHBVMP-HSALFYBXSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720649 309364847 /nfs/dbraw/zinc/36/48/47/309364847.db2.gz ZYOFNIMKKZHTEM-KBPBESRZSA-N 1 3 343.437 3.385 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000422757172 309366882 /nfs/dbraw/zinc/36/68/82/309366882.db2.gz IFPJIIVCNSSNOH-RYUDHWBXSA-N 1 3 335.398 3.245 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422871924 309373136 /nfs/dbraw/zinc/37/31/36/309373136.db2.gz DXKLWOUAZVJTCN-KURKYZTESA-N 1 3 331.504 3.174 10 0 EGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903970 309375402 /nfs/dbraw/zinc/37/54/02/309375402.db2.gz GEJDFMRAQUBXNA-QMTMVMCOSA-N 1 3 337.458 3.036 10 0 EGAEHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903970 309375403 /nfs/dbraw/zinc/37/54/03/309375403.db2.gz GEJDFMRAQUBXNA-QMTMVMCOSA-N 1 3 337.458 3.036 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913441 309375965 /nfs/dbraw/zinc/37/59/65/309375965.db2.gz YJGJPQCBJIDCFA-ZMYBRWDISA-N 1 3 337.458 3.179 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913438 309376121 /nfs/dbraw/zinc/37/61/21/309376121.db2.gz YJGJPQCBJIDCFA-GDIGMMSISA-N 1 3 337.458 3.179 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937827 309377158 /nfs/dbraw/zinc/37/71/58/309377158.db2.gz OZTAROYVXYSVKD-FPOVZHCZSA-N 1 3 342.483 3.437 10 0 EGAEHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422947304 309377566 /nfs/dbraw/zinc/37/75/66/309377566.db2.gz YEPUUURCSLFSQX-ORYQWCPZSA-N 1 3 340.467 3.108 10 0 EGAEHO CC(C)N1CC[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423042874 309382528 /nfs/dbraw/zinc/38/25/28/309382528.db2.gz MMPZKMVNQZTJTI-UHIXZJCNSA-N 1 3 325.447 3.204 10 0 EGAEHO Clc1cccc2c1CCN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423053922 309383333 /nfs/dbraw/zinc/38/33/33/309383333.db2.gz BGMPALPFKUSCRY-SXLOBPIMSA-N 1 3 347.934 3.208 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](N)c2ccccc2)CC1 ZINC000423249570 309392396 /nfs/dbraw/zinc/39/23/96/309392396.db2.gz OVSHGUSQACILGC-GCJKJVERSA-N 1 3 337.511 3.372 10 0 EGAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423363224 309397054 /nfs/dbraw/zinc/39/70/54/309397054.db2.gz BPFODKOKCCONMV-DQYPLSBCSA-N 1 3 337.305 3.358 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423415918 309399382 /nfs/dbraw/zinc/39/93/82/309399382.db2.gz FGOXXJZCKXHESK-YFXJRYMSSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1NCCc2ccccc21 ZINC000423415918 309399383 /nfs/dbraw/zinc/39/93/83/309399383.db2.gz FGOXXJZCKXHESK-YFXJRYMSSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1NCCc2ccccc21 ZINC000423415918 309399384 /nfs/dbraw/zinc/39/93/84/309399384.db2.gz FGOXXJZCKXHESK-YFXJRYMSSA-N 1 3 349.522 3.374 10 0 EGAEHO CCN1CCC[C@H]1C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449057980 310033813 /nfs/dbraw/zinc/03/38/13/310033813.db2.gz FWRBPDODUSJPPP-NQIIRXRSSA-N 1 3 329.532 3.156 10 0 EGAEHO CCN(CC)C[C@@H](C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449132313 310039328 /nfs/dbraw/zinc/03/93/28/310039328.db2.gz UDCHEQRPIOLXRT-MOPGFXCFSA-N 1 3 331.548 3.402 10 0 EGAEHO COCC[C@@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449140699 310039816 /nfs/dbraw/zinc/03/98/16/310039816.db2.gz JWFCZEKZUGKKSN-LJQANCHMSA-N 1 3 328.541 3.043 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)CC(C)(C)C)CC1 ZINC000449147861 310040269 /nfs/dbraw/zinc/04/02/69/310040269.db2.gz IHQRQUGGNUFSII-PXNSSMCTSA-N 1 3 332.532 3.469 10 0 EGAEHO CCC(CC)[C@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449154058 310040859 /nfs/dbraw/zinc/04/08/59/310040859.db2.gz GZWSREFFKVGDHN-DYESRHJHSA-N 1 3 332.532 3.469 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000450458833 310124025 /nfs/dbraw/zinc/12/40/25/310124025.db2.gz YUSOOTZUUMFQSX-LJQANCHMSA-N 1 3 332.488 3.161 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000453232110 310265648 /nfs/dbraw/zinc/26/56/48/310265648.db2.gz JCGAFKIIEJYLAT-JCGIZDLHSA-N 1 3 344.890 3.488 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000491560081 311184766 /nfs/dbraw/zinc/18/47/66/311184766.db2.gz NMPFGKRTIDBSCG-UHFFFAOYSA-N 1 3 337.458 3.354 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216096 313498716 /nfs/dbraw/zinc/49/87/16/313498716.db2.gz MMPYLISXLKDDJN-NSHDSACASA-N 1 3 349.381 3.064 10 0 EGAEHO CCCCOc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247971 313505141 /nfs/dbraw/zinc/50/51/41/313505141.db2.gz FMJUCOAGFNYYAS-FQEVSTJZSA-N 1 3 346.515 3.456 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000538718877 314269516 /nfs/dbraw/zinc/26/95/16/314269516.db2.gz UPBVRQFULXYOPP-LJQANCHMSA-N 1 3 347.547 3.464 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000538718877 314269519 /nfs/dbraw/zinc/26/95/19/314269519.db2.gz UPBVRQFULXYOPP-LJQANCHMSA-N 1 3 347.547 3.464 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000540605540 314392184 /nfs/dbraw/zinc/39/21/84/314392184.db2.gz FAIFRJLYBWHIQQ-INIZCTEOSA-N 1 3 329.488 3.379 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)CCCOC(C)C)CC1 ZINC000552292351 315211656 /nfs/dbraw/zinc/21/16/56/315211656.db2.gz NNHFSHKDWDRGTC-UHFFFAOYSA-N 1 3 347.547 3.466 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCCOC(C)C)CC1 ZINC000552292351 315211658 /nfs/dbraw/zinc/21/16/58/315211658.db2.gz NNHFSHKDWDRGTC-UHFFFAOYSA-N 1 3 347.547 3.466 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000565719486 316361271 /nfs/dbraw/zinc/36/12/71/316361271.db2.gz XPUPMFVQEIOEGR-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000565719486 316361274 /nfs/dbraw/zinc/36/12/74/316361274.db2.gz XPUPMFVQEIOEGR-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1=C[C@H](C)C[C@H](CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000565781730 316369097 /nfs/dbraw/zinc/36/90/97/316369097.db2.gz ZCOPKEGNBNOFPE-KCLUMXDGSA-N 1 3 333.564 3.469 10 0 EGAEHO NC[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000570281877 317033195 /nfs/dbraw/zinc/03/31/95/317033195.db2.gz PAPWJADKAMHISA-QUCCMNQESA-N 1 3 343.515 3.149 10 0 EGAEHO c1ccc2c(c1)O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CS2 ZINC000574811679 317638724 /nfs/dbraw/zinc/63/87/24/317638724.db2.gz NYLZCOQUUIPJNB-LTIDMASMSA-N 1 3 332.513 3.440 10 0 EGAEHO OC1(C[NH2+]Cc2ccc3cc[nH]c3c2)CCN(Cc2ccccc2)CC1 ZINC000397541386 324294880 /nfs/dbraw/zinc/29/48/80/324294880.db2.gz MCYLZWAPVKSDAQ-UHFFFAOYSA-N 1 3 349.478 3.285 10 0 EGAEHO CCn1nccc1CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579839351 325166169 /nfs/dbraw/zinc/16/61/69/325166169.db2.gz UCOBKBAPCIUPFR-KRWDZBQOSA-N 1 3 346.544 3.269 10 0 EGAEHO CCn1nccc1CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579839351 325166173 /nfs/dbraw/zinc/16/61/73/325166173.db2.gz UCOBKBAPCIUPFR-KRWDZBQOSA-N 1 3 346.544 3.269 10 0 EGAEHO C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580455935 325253353 /nfs/dbraw/zinc/25/33/53/325253353.db2.gz UTARXWDYGGMRMQ-MRXNPFEDSA-N 1 3 347.466 3.106 10 0 EGAEHO COc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1OC ZINC000581005741 325320241 /nfs/dbraw/zinc/32/02/41/325320241.db2.gz HSPGNPUMRSVNMT-FGTMMUONSA-N 1 3 332.488 3.147 10 0 EGAEHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cn2ccccc2n1 ZINC000583035925 325489909 /nfs/dbraw/zinc/48/99/09/325489909.db2.gz YBMHWBSAPYEKPW-MRXNPFEDSA-N 1 3 335.455 3.297 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1(C)C ZINC000623575130 460621674 /nfs/dbraw/zinc/62/16/74/460621674.db2.gz LWLQTEQFFRWHFM-UXHICEINSA-N 1 3 346.515 3.345 10 0 EGAEHO C[C@H](NC1CC[NH+](C)CC1)c1cccc(OCc2ccccn2)c1 ZINC000095967353 454242278 /nfs/dbraw/zinc/24/22/78/454242278.db2.gz QGKOREJKDXECFI-INIZCTEOSA-N 1 3 325.456 3.405 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000104136956 454575180 /nfs/dbraw/zinc/57/51/80/454575180.db2.gz RCDSAGATYQRNEA-HXUWFJFHSA-N 1 3 343.515 3.163 10 0 EGAEHO C[C@@H](NC(=O)[C@H](C)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123609948 454657429 /nfs/dbraw/zinc/65/74/29/454657429.db2.gz DGNLURGSJCAYBP-MSOLQXFVSA-N 1 3 345.531 3.306 10 0 EGAEHO CN1CCC(C[NH2+][C@@H]2CCc3ccccc32)(N2CCCCC2)CC1 ZINC000124652855 454756522 /nfs/dbraw/zinc/75/65/22/454756522.db2.gz MOHGYQZRGUKOFJ-HXUWFJFHSA-N 1 3 327.516 3.214 10 0 EGAEHO CN1CCC[C@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000163138565 454826024 /nfs/dbraw/zinc/82/60/24/454826024.db2.gz CXJVQFQRAOXMEG-ZDUSSCGKSA-N 1 3 330.398 3.092 10 0 EGAEHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccc(OC)c1 ZINC000154463188 454899086 /nfs/dbraw/zinc/89/90/86/454899086.db2.gz ICRDECGIAXJRPJ-FQEVSTJZSA-N 1 3 333.520 3.154 10 0 EGAEHO COc1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1O ZINC000180125660 455136456 /nfs/dbraw/zinc/13/64/56/455136456.db2.gz ZAQBOOCWFQWCTA-IBGZPJMESA-N 1 3 340.467 3.055 10 0 EGAEHO O[C@H](CNCC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180215415 455148997 /nfs/dbraw/zinc/14/89/97/455148997.db2.gz FPNXLQQWMZIYCZ-OAQYLSRUSA-N 1 3 338.495 3.255 10 0 EGAEHO COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CCN(C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281438 455312132 /nfs/dbraw/zinc/31/21/32/455312132.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281438 455312137 /nfs/dbraw/zinc/31/21/37/455312137.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 1 3 343.515 3.045 10 0 EGAEHO COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCN2C2CC2)c1 ZINC000181281438 455312141 /nfs/dbraw/zinc/31/21/41/455312141.db2.gz BRMVMLLLWSSNNB-AXNOTKAXSA-N 1 3 343.515 3.045 10 0 EGAEHO c1cn(CCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000245867465 455388696 /nfs/dbraw/zinc/38/86/96/455388696.db2.gz QNJJPASSZBUQEM-LEWJYISDSA-N 1 3 338.499 3.260 10 0 EGAEHO c1cn(CCCN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000245867465 455388700 /nfs/dbraw/zinc/38/87/00/455388700.db2.gz QNJJPASSZBUQEM-LEWJYISDSA-N 1 3 338.499 3.260 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)Cc1ccccc1 ZINC000182078678 455431036 /nfs/dbraw/zinc/43/10/36/455431036.db2.gz GAVSYVMRISSZNU-AVRDEDQJSA-N 1 3 338.495 3.222 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000250103287 455784977 /nfs/dbraw/zinc/78/49/77/455784977.db2.gz RTHZYOGYCFTYBW-SLFFLAALSA-N 1 3 328.500 3.039 10 0 EGAEHO CC[N@@H+]1CC[C@@H](CN[C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588091 455876032 /nfs/dbraw/zinc/87/60/32/455876032.db2.gz JCQKQQNZVPTQLI-GHTZIAJQSA-N 1 3 339.483 3.305 10 0 EGAEHO CC[N@H+]1CC[C@@H](CN[C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588091 455876037 /nfs/dbraw/zinc/87/60/37/455876037.db2.gz JCQKQQNZVPTQLI-GHTZIAJQSA-N 1 3 339.483 3.305 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588091 455876044 /nfs/dbraw/zinc/87/60/44/455876044.db2.gz JCQKQQNZVPTQLI-GHTZIAJQSA-N 1 3 339.483 3.305 10 0 EGAEHO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261862525 455960641 /nfs/dbraw/zinc/96/06/41/455960641.db2.gz WZYZBPQLYIOPSA-RSPOEFSDSA-N 1 3 343.515 3.045 10 0 EGAEHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC1CCN(C)CC1 ZINC000273182419 456205744 /nfs/dbraw/zinc/20/57/44/456205744.db2.gz GQQWUEVCEGLOPL-UHFFFAOYSA-N 1 3 345.531 3.089 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000290027050 456219406 /nfs/dbraw/zinc/21/94/06/456219406.db2.gz NBWLBRGHXDCCBE-PXNSSMCTSA-N 1 3 334.504 3.012 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000290027050 456219410 /nfs/dbraw/zinc/21/94/10/456219410.db2.gz NBWLBRGHXDCCBE-PXNSSMCTSA-N 1 3 334.504 3.012 10 0 EGAEHO Cc1ccc2nccc(NC[C@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000302140441 456297714 /nfs/dbraw/zinc/29/77/14/456297714.db2.gz DPBARNIJFWJBMH-HXUWFJFHSA-N 1 3 326.488 3.227 10 0 EGAEHO Cc1ccc2nccc(NCc3ccnc(OCC[NH+](C)C)c3)c2c1 ZINC000302241148 456327692 /nfs/dbraw/zinc/32/76/92/456327692.db2.gz XTUNDEPLIBSRKV-UHFFFAOYSA-N 1 3 336.439 3.491 10 0 EGAEHO C[C@@H]1C[C@H](NCCOc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000291035453 456505098 /nfs/dbraw/zinc/50/50/98/456505098.db2.gz AGWHMMLKCGWATL-SJLPKXTDSA-N 1 3 343.446 3.242 10 0 EGAEHO C[C@@H]1C[C@H](NCCOc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000291035453 456505102 /nfs/dbraw/zinc/50/51/02/456505102.db2.gz AGWHMMLKCGWATL-SJLPKXTDSA-N 1 3 343.446 3.242 10 0 EGAEHO OC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC(F)(F)CC1 ZINC000657777887 462262752 /nfs/dbraw/zinc/26/27/52/462262752.db2.gz DTCVOUXIGTVMJE-UHFFFAOYSA-N 1 3 330.463 3.314 10 0 EGAEHO OC1(CNC2CC[NH+](C3CCCCC3)CC2)CCC(F)(F)CC1 ZINC000657777887 462262756 /nfs/dbraw/zinc/26/27/56/462262756.db2.gz DTCVOUXIGTVMJE-UHFFFAOYSA-N 1 3 330.463 3.314 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000291271334 456584953 /nfs/dbraw/zinc/58/49/53/456584953.db2.gz XZNQJXVLYJQNBI-NHCUHLMSSA-N 1 3 327.516 3.033 10 0 EGAEHO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000353401054 456676413 /nfs/dbraw/zinc/67/64/13/456676413.db2.gz HFUCRYSNPVNFFO-OBZTUIKSSA-N 1 3 343.515 3.177 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c(O[C@H]2CCOC2)c1 ZINC000353407929 456682069 /nfs/dbraw/zinc/68/20/69/456682069.db2.gz SWSXFOCCOWAVFY-VNTMZGSJSA-N 1 3 344.499 3.125 10 0 EGAEHO Cc1cnn(CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000341875676 456981925 /nfs/dbraw/zinc/98/19/25/456981925.db2.gz MHJMMVFBYZRHDT-UHFFFAOYSA-N 1 3 326.488 3.036 10 0 EGAEHO Cc1cnn(CCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000341875676 456981927 /nfs/dbraw/zinc/98/19/27/456981927.db2.gz MHJMMVFBYZRHDT-UHFFFAOYSA-N 1 3 326.488 3.036 10 0 EGAEHO Cc1ccc([C@@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397603717 457489546 /nfs/dbraw/zinc/48/95/46/457489546.db2.gz OXGKSSJYZRGOFQ-QGZVFWFLSA-N 1 3 328.456 3.266 10 0 EGAEHO CS[C@@H]1CC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000425355851 457515557 /nfs/dbraw/zinc/51/55/57/457515557.db2.gz LRXQWKKFTGAAGX-WOJBJXKFSA-N 1 3 347.572 3.381 10 0 EGAEHO CC[N@H+](CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1)CC1CC1 ZINC000425461305 457563631 /nfs/dbraw/zinc/56/36/31/457563631.db2.gz RXHJWSHDYNIGGV-IBGZPJMESA-N 1 3 349.563 3.220 10 0 EGAEHO CC[N@@H+](CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1)CC1CC1 ZINC000425461305 457563639 /nfs/dbraw/zinc/56/36/39/457563639.db2.gz RXHJWSHDYNIGGV-IBGZPJMESA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000434183058 457957262 /nfs/dbraw/zinc/95/72/62/457957262.db2.gz YTWZJFHXFZTKJB-CYBMUJFWSA-N 1 3 344.377 3.322 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000436292426 458284128 /nfs/dbraw/zinc/28/41/28/458284128.db2.gz NDDNUTCFMZGHIW-NXHRZFHOSA-N 1 3 348.487 3.009 10 0 EGAEHO CC(C)Oc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000376825339 458397864 /nfs/dbraw/zinc/39/78/64/458397864.db2.gz CWZDSQLGTHGAAG-QYYYHEGRSA-N 1 3 345.531 3.291 10 0 EGAEHO CC(C)Oc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000376825339 458397866 /nfs/dbraw/zinc/39/78/66/458397866.db2.gz CWZDSQLGTHGAAG-QYYYHEGRSA-N 1 3 345.531 3.291 10 0 EGAEHO CC(C)Oc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)cc1 ZINC000376825339 458397868 /nfs/dbraw/zinc/39/78/68/458397868.db2.gz CWZDSQLGTHGAAG-QYYYHEGRSA-N 1 3 345.531 3.291 10 0 EGAEHO CC(C)c1nc([C@@H](C)NC2CCC([NH+]3CCNCC3)CC2)cs1 ZINC000423525678 458450962 /nfs/dbraw/zinc/45/09/62/458450962.db2.gz YKSZRBAAFRAEMZ-QQFBHYJXSA-N 1 3 336.549 3.134 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000431556763 458588079 /nfs/dbraw/zinc/58/80/79/458588079.db2.gz MFKIOPAAFROJHQ-UXHICEINSA-N 1 3 345.531 3.232 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000431556763 458588083 /nfs/dbraw/zinc/58/80/83/458588083.db2.gz MFKIOPAAFROJHQ-UXHICEINSA-N 1 3 345.531 3.232 10 0 EGAEHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000424427988 458641475 /nfs/dbraw/zinc/64/14/75/458641475.db2.gz RAVUDYFNDANJCC-RBUKOAKNSA-N 1 3 338.455 3.021 10 0 EGAEHO CC(C)COc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249735 458730607 /nfs/dbraw/zinc/73/06/07/458730607.db2.gz YIEKEGWLJLFUJN-OAQYLSRUSA-N 1 3 346.515 3.312 10 0 EGAEHO CCCOc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247961 458730826 /nfs/dbraw/zinc/73/08/26/458730826.db2.gz FJPXBEHRHMUGJK-HXUWFJFHSA-N 1 3 332.488 3.066 10 0 EGAEHO CSc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)N(C)C)cc1 ZINC000556259935 458943558 /nfs/dbraw/zinc/94/35/58/458943558.db2.gz GBAHJJBTJNWRLH-YRPNKDGESA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N(C)C)cc1 ZINC000556259935 458943560 /nfs/dbraw/zinc/94/35/60/458943560.db2.gz GBAHJJBTJNWRLH-YRPNKDGESA-N 1 3 347.572 3.474 10 0 EGAEHO CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N(C)C)cc1 ZINC000556259935 458943563 /nfs/dbraw/zinc/94/35/63/458943563.db2.gz GBAHJJBTJNWRLH-YRPNKDGESA-N 1 3 347.572 3.474 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCO[C@@H](CC)C2)CC1 ZINC000467556766 458980819 /nfs/dbraw/zinc/98/08/19/458980819.db2.gz GNHHIIUTJXOPTL-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCCO[C@@H](CC)C2)CC1 ZINC000467556766 458980828 /nfs/dbraw/zinc/98/08/28/458980828.db2.gz GNHHIIUTJXOPTL-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)OCCc2ccccc21 ZINC000558509294 459169566 /nfs/dbraw/zinc/16/95/66/459169566.db2.gz MDOOFCKBFUQOJI-FYZZASKESA-N 1 3 328.500 3.327 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)OCCc2ccccc21 ZINC000558509294 459169570 /nfs/dbraw/zinc/16/95/70/459169570.db2.gz MDOOFCKBFUQOJI-FYZZASKESA-N 1 3 328.500 3.327 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCN1C ZINC000578650975 459237629 /nfs/dbraw/zinc/23/76/29/459237629.db2.gz VHAFCACMMWQJAJ-MISYRCLQSA-N 1 3 327.516 3.256 10 0 EGAEHO Cc1nn(C)c(C)c1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000561156698 459426133 /nfs/dbraw/zinc/42/61/33/459426133.db2.gz CYKKFCQWPINJPU-UHFFFAOYSA-N 1 3 332.536 3.356 10 0 EGAEHO Cc1nn(C)c(C)c1CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000561156698 459426140 /nfs/dbraw/zinc/42/61/40/459426140.db2.gz CYKKFCQWPINJPU-UHFFFAOYSA-N 1 3 332.536 3.356 10 0 EGAEHO O[C@H](CC1CCCC1)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000583779504 459594245 /nfs/dbraw/zinc/59/42/45/459594245.db2.gz XMTRDAAAAMZAOG-GOSISDBHSA-N 1 3 339.483 3.298 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+]CCCN3CCCC3)CC23CC3)cc1 ZINC000563119634 459717873 /nfs/dbraw/zinc/71/78/73/459717873.db2.gz AMGKDAMDMXAHDR-FQEVSTJZSA-N 1 3 327.516 3.259 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC(C(C)(C)C)C3)CC2)CC1 ZINC000584664745 459781031 /nfs/dbraw/zinc/78/10/31/459781031.db2.gz OTDFFAWHQCLHSE-UHFFFAOYSA-N 1 3 349.563 3.124 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000527987452 459788979 /nfs/dbraw/zinc/78/89/79/459788979.db2.gz NAYNUWILTHTWJN-QFBILLFUSA-N 1 3 331.504 3.265 10 0 EGAEHO COc1ccc(CC[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000527987452 459788982 /nfs/dbraw/zinc/78/89/82/459788982.db2.gz NAYNUWILTHTWJN-QFBILLFUSA-N 1 3 331.504 3.265 10 0 EGAEHO COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1Cl ZINC000597060169 459828401 /nfs/dbraw/zinc/82/84/01/459828401.db2.gz QHJOSIWIUZLYAR-GOOCMWNKSA-N 1 3 336.863 3.232 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000574571182 459835485 /nfs/dbraw/zinc/83/54/85/459835485.db2.gz IGHVEQKRGRKBRD-OAHLLOKOSA-N 1 3 343.393 3.367 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000574571182 459835488 /nfs/dbraw/zinc/83/54/88/459835488.db2.gz IGHVEQKRGRKBRD-OAHLLOKOSA-N 1 3 343.393 3.367 10 0 EGAEHO CCn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000621775032 460059550 /nfs/dbraw/zinc/05/95/50/460059550.db2.gz DBSYJIUFRWQURE-TZIWHRDSSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000621775032 460059554 /nfs/dbraw/zinc/05/95/54/460059554.db2.gz DBSYJIUFRWQURE-TZIWHRDSSA-N 1 3 340.515 3.118 10 0 EGAEHO CCn1nccc1CCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000621775032 460059562 /nfs/dbraw/zinc/05/95/62/460059562.db2.gz DBSYJIUFRWQURE-TZIWHRDSSA-N 1 3 340.515 3.118 10 0 EGAEHO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599070615 460151096 /nfs/dbraw/zinc/15/10/96/460151096.db2.gz MAWFCQVDZOBRJQ-DLBZAZTESA-N 1 3 326.525 3.456 10 0 EGAEHO C[NH+](C)[C@H](CC(=O)NC[C@H]1CCN1C1CCCCC1)c1ccccc1 ZINC000628544274 460452841 /nfs/dbraw/zinc/45/28/41/460452841.db2.gz YJBZLFSXOVSFDL-WOJBJXKFSA-N 1 3 343.515 3.203 10 0 EGAEHO CCOCCOCc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623357511 460506893 /nfs/dbraw/zinc/50/68/93/460506893.db2.gz SSEOOMKJWJVFCY-IBGZPJMESA-N 1 3 334.504 3.202 10 0 EGAEHO C[NH+]1CCC(CN[C@H]2CCCc3scnc32)(N2CCCCC2)CC1 ZINC000623899434 460767360 /nfs/dbraw/zinc/76/73/60/460767360.db2.gz IYJINCRSYYPQPM-INIZCTEOSA-N 1 3 348.560 3.060 10 0 EGAEHO CN1CCC(CN[C@H]2CCCc3scnc32)([NH+]2CCCCC2)CC1 ZINC000623899434 460767366 /nfs/dbraw/zinc/76/73/66/460767366.db2.gz IYJINCRSYYPQPM-INIZCTEOSA-N 1 3 348.560 3.060 10 0 EGAEHO Fc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)cc1Br ZINC000629531643 460797675 /nfs/dbraw/zinc/79/76/75/460797675.db2.gz SPYBTMNLGWIQLS-CKYFFXLPSA-N 1 3 345.231 3.205 10 0 EGAEHO Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCOCCC[NH3+] ZINC000629535727 460798520 /nfs/dbraw/zinc/79/85/20/460798520.db2.gz FDVOHZQINIUCMU-AWEZNQCLSA-N 1 3 333.501 3.058 10 0 EGAEHO COc1ccccc1-c1ccc([C@H](C)NCCOCCC[NH3+])cc1 ZINC000629541940 460800695 /nfs/dbraw/zinc/80/06/95/460800695.db2.gz UOTCTQXAEHKXFI-INIZCTEOSA-N 1 3 328.456 3.378 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)[C@H]1CCN(C)C1 ZINC000617556816 460908503 /nfs/dbraw/zinc/90/85/03/460908503.db2.gz YJFIHBUKDCBERJ-IBGZPJMESA-N 1 3 331.504 3.083 10 0 EGAEHO CCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)[C@H]1CCN(C)C1 ZINC000617556816 460908507 /nfs/dbraw/zinc/90/85/07/460908507.db2.gz YJFIHBUKDCBERJ-IBGZPJMESA-N 1 3 331.504 3.083 10 0 EGAEHO Fc1ccc(CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662257781 461148534 /nfs/dbraw/zinc/14/85/34/461148534.db2.gz GKAVMPAUODOLCY-IBGZPJMESA-N 1 3 332.463 3.134 10 0 EGAEHO Fc1ccc(CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C2CCCC2)cc1 ZINC000662257781 461148539 /nfs/dbraw/zinc/14/85/39/461148539.db2.gz GKAVMPAUODOLCY-IBGZPJMESA-N 1 3 332.463 3.134 10 0 EGAEHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293666 461169403 /nfs/dbraw/zinc/16/94/03/461169403.db2.gz HNVXQROFHNJKKQ-ZBFHGGJFSA-N 1 3 349.906 3.379 10 0 EGAEHO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299048 461177379 /nfs/dbraw/zinc/17/73/79/461177379.db2.gz ZIMPTFGUOUHPIR-WBVHZDCISA-N 1 3 347.478 3.173 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662450772 461246876 /nfs/dbraw/zinc/24/68/76/461246876.db2.gz VXWRETXNUBLCRY-GPMSIDNRSA-N 1 3 343.515 3.058 10 0 EGAEHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000655710677 461381182 /nfs/dbraw/zinc/38/11/82/461381182.db2.gz CDPDQKWQINUYLS-YJBOKZPZSA-N 1 3 334.529 3.017 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CCc3ccccc3[C@H](C)C2)CC1 ZINC000649835443 461390730 /nfs/dbraw/zinc/39/07/30/461390730.db2.gz JEPSIBVDHHRKKC-LJQANCHMSA-N 1 3 329.532 3.064 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CCc3ccccc3[C@H](C)C2)CC1 ZINC000649835443 461390739 /nfs/dbraw/zinc/39/07/39/461390739.db2.gz JEPSIBVDHHRKKC-LJQANCHMSA-N 1 3 329.532 3.064 10 0 EGAEHO COc1cc(OC)c([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655805660 461465215 /nfs/dbraw/zinc/46/52/15/461465215.db2.gz JWMSWOKWZOLCCT-RWMBFGLXSA-N 1 3 326.868 3.348 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCCc2c(F)cccc2F)C1 ZINC000655941819 461546983 /nfs/dbraw/zinc/54/69/83/461546983.db2.gz DGXPIBPCUKSPJP-ZMYBRWDISA-N 1 3 338.442 3.258 10 0 EGAEHO Cn1cnc(CCCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000647327596 461635410 /nfs/dbraw/zinc/63/54/10/461635410.db2.gz COFZOOJNVQSVMZ-UHFFFAOYSA-N 1 3 335.540 3.017 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCO4)[C@H]3C2)cc1 ZINC000639036498 461683837 /nfs/dbraw/zinc/68/38/37/461683837.db2.gz ANOKPHYDRKBVKC-WOZUAGRISA-N 1 3 328.500 3.446 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542878 461757566 /nfs/dbraw/zinc/75/75/66/461757566.db2.gz DHFSOZBDVJGEHN-IAGOWNOFSA-N 1 3 342.512 3.417 10 0 EGAEHO Clc1ccc2c(c1Cl)OC[C@@H]2N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789776 461835599 /nfs/dbraw/zinc/83/55/99/461835599.db2.gz LGRZXXQIKZVBLN-OXIWPEFWSA-N 1 3 327.255 3.405 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800434 461843583 /nfs/dbraw/zinc/84/35/83/461843583.db2.gz BAFLQUFBFDALMM-XJKSGUPXSA-N 1 3 343.496 3.443 10 0 EGAEHO COc1cc2c(c(CN3CCC[C@H](C4CC[NH2+]CC4)C3)c1)O[C@@H](C)C2 ZINC000656785504 461895633 /nfs/dbraw/zinc/89/56/33/461895633.db2.gz KXKNDZXSGJXQRL-RDJZCZTQSA-N 1 3 344.499 3.230 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000644532042 461974032 /nfs/dbraw/zinc/97/40/32/461974032.db2.gz VKMBKODROPETNL-RBUKOAKNSA-N 1 3 348.531 3.260 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCCNCc1c(C(F)(F)F)cnn1C ZINC000657311702 462037227 /nfs/dbraw/zinc/03/72/27/462037227.db2.gz RWXJEYBXESXCHJ-ZDUSSCGKSA-N 1 3 332.414 3.183 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCCNCc1c(C(F)(F)F)cnn1C ZINC000657311702 462037232 /nfs/dbraw/zinc/03/72/32/462037232.db2.gz RWXJEYBXESXCHJ-ZDUSSCGKSA-N 1 3 332.414 3.183 10 0 EGAEHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccnn2-c2ccncc2)c1 ZINC000657332808 462053303 /nfs/dbraw/zinc/05/33/03/462053303.db2.gz QDCWEGXFQNOQJL-UHFFFAOYSA-N 1 3 349.482 3.397 10 0 EGAEHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccnn2-c2ccncc2)c1 ZINC000657332808 462053308 /nfs/dbraw/zinc/05/33/08/462053308.db2.gz QDCWEGXFQNOQJL-UHFFFAOYSA-N 1 3 349.482 3.397 10 0 EGAEHO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccnn1-c1ccncc1 ZINC000657348220 462062268 /nfs/dbraw/zinc/06/22/68/462062268.db2.gz OLBTXCMLZYADCZ-GOSISDBHSA-N 1 3 327.476 3.012 10 0 EGAEHO CCCC[N@H+]1CCCC[C@@H]1CNCc1ccnn1-c1ccncc1 ZINC000657348220 462062273 /nfs/dbraw/zinc/06/22/73/462062273.db2.gz OLBTXCMLZYADCZ-GOSISDBHSA-N 1 3 327.476 3.012 10 0 EGAEHO CCCCN1CCCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657348220 462062277 /nfs/dbraw/zinc/06/22/77/462062277.db2.gz OLBTXCMLZYADCZ-GOSISDBHSA-N 1 3 327.476 3.012 10 0 EGAEHO Cc1ccc2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000657368461 462075892 /nfs/dbraw/zinc/07/58/92/462075892.db2.gz WWTBQNOZANCBEM-CALCHBBNSA-N 1 3 329.488 3.455 10 0 EGAEHO C[C@@H]1C[C@H]1c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536902 462171611 /nfs/dbraw/zinc/17/16/11/462171611.db2.gz TYCYKNUZNMFBFP-DNVCBOLYSA-N 1 3 332.488 3.384 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)cc3)cc2)C1 ZINC000657594712 462197094 /nfs/dbraw/zinc/19/70/94/462197094.db2.gz SKZSGPVUVLREDM-IBGZPJMESA-N 1 3 330.859 3.196 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)cc3)cc2)C1 ZINC000657594712 462197098 /nfs/dbraw/zinc/19/70/98/462197098.db2.gz SKZSGPVUVLREDM-IBGZPJMESA-N 1 3 330.859 3.196 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc4cnccc4c3)cc2)C1 ZINC000657597270 462199599 /nfs/dbraw/zinc/19/95/99/462199599.db2.gz RXNVRJFVVRMEJD-QFIPXVFZSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4cnccc4c3)cc2)C1 ZINC000657597270 462199603 /nfs/dbraw/zinc/19/96/03/462199603.db2.gz RXNVRJFVVRMEJD-QFIPXVFZSA-N 1 3 347.462 3.091 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667788973 462262734 /nfs/dbraw/zinc/26/27/34/462262734.db2.gz AQOOUYYNJPUBIV-UYAOXDASSA-N 1 3 332.488 3.064 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000657784815 462264801 /nfs/dbraw/zinc/26/48/01/462264801.db2.gz FYEJMIVVFCAPPF-LJQANCHMSA-N 1 3 345.531 3.123 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677523 462301171 /nfs/dbraw/zinc/30/11/71/462301171.db2.gz LBPUGMNOTWSAFZ-BBRMVZONSA-N 1 3 339.886 3.082 10 0 EGAEHO OC[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCc2ccccc21 ZINC000651884247 462368450 /nfs/dbraw/zinc/36/84/50/462368450.db2.gz CBDIKXIYODNVQC-JOCHJYFZSA-N 1 3 342.527 3.250 10 0 EGAEHO OC[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCc2ccccc21 ZINC000651884247 462368454 /nfs/dbraw/zinc/36/84/54/462368454.db2.gz CBDIKXIYODNVQC-JOCHJYFZSA-N 1 3 342.527 3.250 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000658124916 462394812 /nfs/dbraw/zinc/39/48/12/462394812.db2.gz RJODNOSYIREXMS-VGWMRTNUSA-N 1 3 334.426 3.339 10 0 EGAEHO CC1(C)[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)[C@@H]2CCC[C@@H]21 ZINC000658137401 462401142 /nfs/dbraw/zinc/40/11/42/462401142.db2.gz KRSRCVSQJJVPAO-YSTOQKLRSA-N 1 3 328.500 3.168 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)C1 ZINC000658142622 462405298 /nfs/dbraw/zinc/40/52/98/462405298.db2.gz ZEPVLZVECWGSPM-ABHNRTSZSA-N 1 3 338.442 3.167 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000652063149 462422864 /nfs/dbraw/zinc/42/28/64/462422864.db2.gz FRFGXPWTECBMIN-LJQANCHMSA-N 1 3 349.469 3.450 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000652063149 462422870 /nfs/dbraw/zinc/42/28/70/462422870.db2.gz FRFGXPWTECBMIN-LJQANCHMSA-N 1 3 349.469 3.450 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319436 462475257 /nfs/dbraw/zinc/47/52/57/462475257.db2.gz AVNIYSHWDUPZND-XLIONFOSSA-N 1 3 338.499 3.373 10 0 EGAEHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(Br)c(F)c2)C1 ZINC000351604321 536463416 /nfs/dbraw/zinc/46/34/16/536463416.db2.gz ULAWSSPDHCVXDR-CYBMUJFWSA-N 1 3 329.257 3.362 10 0 EGAEHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(Br)c(F)c2)C1 ZINC000351604321 536463417 /nfs/dbraw/zinc/46/34/17/536463417.db2.gz ULAWSSPDHCVXDR-CYBMUJFWSA-N 1 3 329.257 3.362 10 0 EGAEHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348061737 535097953 /nfs/dbraw/zinc/09/79/53/535097953.db2.gz JKACCUGNQDEVBL-OALUTQOASA-N 1 3 330.520 3.008 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000162197511 546963942 /nfs/dbraw/zinc/96/39/42/546963942.db2.gz WYQKFBXGFQIBAA-BAGYTPMASA-N 1 3 341.543 3.361 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000310883084 547461204 /nfs/dbraw/zinc/46/12/04/547461204.db2.gz WYQKFBXGFQIBAA-CEMLEFRQSA-N 1 3 341.543 3.361 10 0 EGAEHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964247 547862340 /nfs/dbraw/zinc/86/23/40/547862340.db2.gz UMTYNSKETNCWPK-XHDPSFHLSA-N 1 3 334.261 3.085 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000671744382 548351260 /nfs/dbraw/zinc/35/12/60/548351260.db2.gz BGRUSAHBBNQZLR-MYGLTJDJSA-N 1 3 341.543 3.361 10 0 EGAEHO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CCCCN1C ZINC000675499037 548930428 /nfs/dbraw/zinc/93/04/28/548930428.db2.gz JXNANDMPIOHHBG-CTNGQTDRSA-N 1 3 329.532 3.457 10 0 EGAEHO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CC[C@@H]1CCCCN1C ZINC000675499037 548930433 /nfs/dbraw/zinc/93/04/33/548930433.db2.gz JXNANDMPIOHHBG-CTNGQTDRSA-N 1 3 329.532 3.457 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(OCCN(C)C)cc1 ZINC000675926497 549006062 /nfs/dbraw/zinc/00/60/62/549006062.db2.gz BPLDYMWYSJMOKC-IAGOWNOFSA-N 1 3 327.472 3.476 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)cc1 ZINC000682951130 550167847 /nfs/dbraw/zinc/16/78/47/550167847.db2.gz YZPKSFFIOJYKKC-HXUWFJFHSA-N 1 3 334.504 3.048 10 0 EGAEHO CCCN1CCC([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000151039222 1293904239 /nfs/dbraw/zinc/90/42/39/1293904239.db2.gz PEMOMXAUWAXKRD-UHFFFAOYSA-N 1 3 329.488 3.168 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC000397501374 1297700797 /nfs/dbraw/zinc/70/07/97/1297700797.db2.gz AIXFDLOWBYKGMI-KRWDZBQOSA-N 1 3 340.467 3.070 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550658 1298280556 /nfs/dbraw/zinc/28/05/56/1298280556.db2.gz CIUUUOITUJHYHX-QZWWFDLISA-N 1 3 339.524 3.237 10 0 EGAEHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550658 1298280560 /nfs/dbraw/zinc/28/05/60/1298280560.db2.gz CIUUUOITUJHYHX-QZWWFDLISA-N 1 3 339.524 3.237 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886507426 1303480105 /nfs/dbraw/zinc/48/01/05/1303480105.db2.gz KIOJXZKMYLPDFR-ACRUOGEOSA-N 1 3 338.499 3.224 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1(C)C ZINC000858144882 1328695722 /nfs/dbraw/zinc/69/57/22/1328695722.db2.gz WAIMNBXPPDYOIL-BXUZGUMPSA-N 1 3 331.287 3.489 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCNC2CC2)[C@H]2CCCC[C@H]12 ZINC000923312074 1322731390 /nfs/dbraw/zinc/73/13/90/1322731390.db2.gz HLKZPAYAKOUMBK-UFHDJZAFSA-N 1 3 349.563 3.312 10 0 EGAEHO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCCNC2CC2)[C@H]2CCCC[C@H]12 ZINC000923312074 1322731394 /nfs/dbraw/zinc/73/13/94/1322731394.db2.gz HLKZPAYAKOUMBK-UFHDJZAFSA-N 1 3 349.563 3.312 10 0 EGAEHO C[C@H]1CN(Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923494740 1322761561 /nfs/dbraw/zinc/76/15/61/1322761561.db2.gz NYBSHUVFLYBXHL-QFBILLFUSA-N 1 3 325.456 3.077 10 0 EGAEHO COc1cc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc2ccccc21 ZINC000924757593 1323148592 /nfs/dbraw/zinc/14/85/92/1323148592.db2.gz VCRUEOLPFCAXBR-INIZCTEOSA-N 1 3 342.483 3.346 10 0 EGAEHO COCCN(Cc1cnc(-c2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC000931380007 1329107977 /nfs/dbraw/zinc/10/79/77/1329107977.db2.gz GJPRSEORGAHHGL-UHFFFAOYSA-N 1 3 343.471 3.132 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccnn1C1CCC1 ZINC000925438748 1325150042 /nfs/dbraw/zinc/15/00/42/1325150042.db2.gz DOYSGNNFJITENG-IXDOHACOSA-N 1 3 334.508 3.148 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H](c2ccccn2)C2CCC2)C[C@H](C)O1 ZINC000925440823 1325150256 /nfs/dbraw/zinc/15/02/56/1325150256.db2.gz VOQIPSMMYBXTMF-FUHIMQAGSA-N 1 3 331.504 3.402 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000925484378 1325171265 /nfs/dbraw/zinc/17/12/65/1325171265.db2.gz DNNJVWJYUFUPRO-JMSVASOKSA-N 1 3 330.394 3.234 10 0 EGAEHO COc1cccc([C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)N2CCCC2)c1 ZINC000925507267 1325183570 /nfs/dbraw/zinc/18/35/70/1325183570.db2.gz VMCQLHOUVUPDCH-GGPKGHCWSA-N 1 3 345.531 3.328 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925524346 1325190024 /nfs/dbraw/zinc/19/00/24/1325190024.db2.gz RQVUYZGTIRABTO-NJAFHUGGSA-N 1 3 332.488 3.220 10 0 EGAEHO FC(F)(F)c1csc(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925524984 1325190198 /nfs/dbraw/zinc/19/01/98/1325190198.db2.gz CVGUGYVOPAAGBB-CHWSQXEVSA-N 1 3 347.450 3.462 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000925653553 1325248718 /nfs/dbraw/zinc/24/87/18/1325248718.db2.gz NCHRJBKPGKRVRY-LMCOJAPRSA-N 1 3 327.516 3.269 10 0 EGAEHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925779377 1325297805 /nfs/dbraw/zinc/29/78/05/1325297805.db2.gz YCGPUDXWGDIGEK-DGCLKSJQSA-N 1 3 336.348 3.471 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000925781137 1325299390 /nfs/dbraw/zinc/29/93/90/1325299390.db2.gz HKXLFJDPCUHQAQ-IINYFYTJSA-N 1 3 345.231 3.271 10 0 EGAEHO Cc1ccccc1C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925790098 1325302333 /nfs/dbraw/zinc/30/23/33/1325302333.db2.gz DEYXBRNCHWUOLL-PMACEKPBSA-N 1 3 328.500 3.064 10 0 EGAEHO c1cc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804975 1325307637 /nfs/dbraw/zinc/30/76/37/1325307637.db2.gz OQLMGGLWARZZBP-LEWJYISDSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cc(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804975 1325307644 /nfs/dbraw/zinc/30/76/44/1325307644.db2.gz OQLMGGLWARZZBP-LEWJYISDSA-N 1 3 338.499 3.173 10 0 EGAEHO CCC[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccn1 ZINC000925809658 1325311225 /nfs/dbraw/zinc/31/12/25/1325311225.db2.gz SGVGFECDYOZCNM-HXUWFJFHSA-N 1 3 338.499 3.118 10 0 EGAEHO COC[C@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000925886373 1325342887 /nfs/dbraw/zinc/34/28/87/1325342887.db2.gz FQWIZMLVPVRZFH-FFZOFVMBSA-N 1 3 346.421 3.301 10 0 EGAEHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)CC2)C1 ZINC000927058181 1327834045 /nfs/dbraw/zinc/83/40/45/1327834045.db2.gz OSXRTKBOUSYMAM-XFUTXVRSSA-N 1 3 336.520 3.302 10 0 EGAEHO CCc1cnc(CNCC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000865774549 1329736954 /nfs/dbraw/zinc/73/69/54/1329736954.db2.gz WIOWYZYPSTZMPV-UHFFFAOYSA-N 1 3 329.513 3.459 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001323170620 1387306233 /nfs/dbraw/zinc/30/62/33/1387306233.db2.gz RWQFYAUTHAKFNL-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001323287750 1387324080 /nfs/dbraw/zinc/32/40/80/1387324080.db2.gz UHUGARSGXPFWJT-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001323287750 1387324083 /nfs/dbraw/zinc/32/40/83/1387324083.db2.gz UHUGARSGXPFWJT-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001323836876 1387469649 /nfs/dbraw/zinc/46/96/49/1387469649.db2.gz XZNZFMLHSSDEQM-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859476 1387479433 /nfs/dbraw/zinc/47/94/33/1387479433.db2.gz WYIHKHGQJFTTDX-LYSGITKLSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859476 1387479436 /nfs/dbraw/zinc/47/94/36/1387479436.db2.gz WYIHKHGQJFTTDX-LYSGITKLSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001324096565 1387539802 /nfs/dbraw/zinc/53/98/02/1387539802.db2.gz COVAPPPCFUMFQB-HKUYNNGSSA-N 1 3 349.563 3.266 10 0 EGAEHO c1cc(N2CCC[N@@H+](C[C@@H]3CCCC34CCOCC4)CC2)ccn1 ZINC001195534231 1368450501 /nfs/dbraw/zinc/45/05/01/1368450501.db2.gz AVPFFDDECIJKLI-SFHVURJKSA-N 1 3 329.488 3.191 10 0 EGAEHO c1cc(N2CCC[N@H+](C[C@@H]3CCCC34CCOCC4)CC2)ccn1 ZINC001195534231 1368450503 /nfs/dbraw/zinc/45/05/03/1368450503.db2.gz AVPFFDDECIJKLI-SFHVURJKSA-N 1 3 329.488 3.191 10 0 EGAEHO C[C@H](NCCOC1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812555 1371407490 /nfs/dbraw/zinc/40/74/90/1371407490.db2.gz QFQDMIAELWEJFS-HOTGVXAUSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@H](NCCOC1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812555 1371407493 /nfs/dbraw/zinc/40/74/93/1371407493.db2.gz QFQDMIAELWEJFS-HOTGVXAUSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@H]([NH2+]CCOC1CCSCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001119812555 1371407497 /nfs/dbraw/zinc/40/74/97/1371407497.db2.gz QFQDMIAELWEJFS-HOTGVXAUSA-N 1 3 326.550 3.141 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1)N(C)C ZINC001326913139 1388348304 /nfs/dbraw/zinc/34/83/04/1388348304.db2.gz DTFWDCBLOLNCJS-ABHNRTSZSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001327173185 1388421810 /nfs/dbraw/zinc/42/18/10/1388421810.db2.gz OAEFGLGLZPBZIR-LPHOPBHVSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001327173185 1388421815 /nfs/dbraw/zinc/42/18/15/1388421815.db2.gz OAEFGLGLZPBZIR-LPHOPBHVSA-N 1 3 349.494 3.198 10 0 EGAEHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001266502126 1377323603 /nfs/dbraw/zinc/32/36/03/1377323603.db2.gz WZSMNMASXTWXOR-BLJGWNJWSA-N 1 3 347.547 3.284 10 0 EGAEHO CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001266848963 1377393496 /nfs/dbraw/zinc/39/34/96/1377393496.db2.gz JHDPWZPSIPYZER-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001266848963 1377393497 /nfs/dbraw/zinc/39/34/97/1377393497.db2.gz JHDPWZPSIPYZER-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CN(CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1)C1CCC1 ZINC001267521228 1377450949 /nfs/dbraw/zinc/45/09/49/1377450949.db2.gz RKWUCTOQBZEAPN-LJQANCHMSA-N 1 3 345.531 3.354 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001270966432 1377619773 /nfs/dbraw/zinc/61/97/73/1377619773.db2.gz YBHGCZSAUNVTPS-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001270966432 1377619777 /nfs/dbraw/zinc/61/97/77/1377619777.db2.gz YBHGCZSAUNVTPS-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001271585189 1377641193 /nfs/dbraw/zinc/64/11/93/1377641193.db2.gz IVHXOQVBUFLMSJ-KRWDZBQOSA-N 1 3 334.508 3.139 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC)([NH2+]C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001327488476 1388533362 /nfs/dbraw/zinc/53/33/62/1388533362.db2.gz IVUXTXJJIKFEAD-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663185 1378532211 /nfs/dbraw/zinc/53/22/11/1378532211.db2.gz AABGJTCWNNIJCK-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663185 1378532214 /nfs/dbraw/zinc/53/22/14/1378532214.db2.gz AABGJTCWNNIJCK-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001282957057 1378683959 /nfs/dbraw/zinc/68/39/59/1378683959.db2.gz CZHLURIHEFLSLA-XUVXKRRUSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001282957057 1378683963 /nfs/dbraw/zinc/68/39/63/1378683963.db2.gz CZHLURIHEFLSLA-XUVXKRRUSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCCC1)C2 ZINC001282977936 1378695393 /nfs/dbraw/zinc/69/53/93/1378695393.db2.gz QVOPAURHEWGNCA-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCCC1)C2 ZINC001282977936 1378695394 /nfs/dbraw/zinc/69/53/94/1378695394.db2.gz QVOPAURHEWGNCA-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001283111079 1378735612 /nfs/dbraw/zinc/73/56/12/1378735612.db2.gz NGHGBLXNZAOWNT-VPLLLXJESA-N 1 3 337.552 3.170 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001283678057 1379106817 /nfs/dbraw/zinc/10/68/17/1379106817.db2.gz LMCKPMFRGSWVHL-QFBILLFUSA-N 1 3 343.531 3.216 10 0 EGAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001327862156 1388608383 /nfs/dbraw/zinc/60/83/83/1388608383.db2.gz QZSARXQGOABBTP-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC001284629972 1380033620 /nfs/dbraw/zinc/03/36/20/1380033620.db2.gz BVVAOVHORAHIMB-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)c1 ZINC001328674285 1388803659 /nfs/dbraw/zinc/80/36/59/1388803659.db2.gz UFVTVFNYEKBXAA-TWVNLXSWSA-N 1 3 349.906 3.085 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698610926 1406240718 /nfs/dbraw/zinc/24/07/18/1406240718.db2.gz XZZOKRDYTFKGKH-MJGOQNOKSA-N 1 3 345.531 3.415 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001316667056 1384512079 /nfs/dbraw/zinc/51/20/79/1384512079.db2.gz OGEAUHRIYNTVBX-GBESFXJTSA-N 1 3 345.531 3.271 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](CC1CC(C)C1)C1CC1 ZINC001316924758 1384695641 /nfs/dbraw/zinc/69/56/41/1384695641.db2.gz CUGXULIOJCOPAO-AFMYVXGZSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC1CC(C)C1)C1CC1 ZINC001316924758 1384695645 /nfs/dbraw/zinc/69/56/45/1384695645.db2.gz CUGXULIOJCOPAO-AFMYVXGZSA-N 1 3 349.563 3.266 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001317140607 1384908255 /nfs/dbraw/zinc/90/82/55/1384908255.db2.gz RFSIJKBHSQFZDQ-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001317140607 1384908258 /nfs/dbraw/zinc/90/82/58/1384908258.db2.gz RFSIJKBHSQFZDQ-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175773 1384946772 /nfs/dbraw/zinc/94/67/72/1384946772.db2.gz GNHKXOOISFFGDZ-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175773 1384946779 /nfs/dbraw/zinc/94/67/79/1384946779.db2.gz GNHKXOOISFFGDZ-HKUYNNGSSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205854 1384982035 /nfs/dbraw/zinc/98/20/35/1384982035.db2.gz BJJQDHFWLCEBAO-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317205854 1384982038 /nfs/dbraw/zinc/98/20/38/1384982038.db2.gz BJJQDHFWLCEBAO-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207713 1384982894 /nfs/dbraw/zinc/98/28/94/1384982894.db2.gz WJWRCZXMMBWCDE-WBVHZDCISA-N 1 3 334.508 3.058 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001317207713 1384982896 /nfs/dbraw/zinc/98/28/96/1384982896.db2.gz WJWRCZXMMBWCDE-WBVHZDCISA-N 1 3 334.508 3.058 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001317221234 1385001495 /nfs/dbraw/zinc/00/14/95/1385001495.db2.gz BQKQQEVPDBPTAF-JXMROGBWSA-N 1 3 343.515 3.057 10 0 EGAEHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001317220908 1385001645 /nfs/dbraw/zinc/00/16/45/1385001645.db2.gz OCUPRUJEAXGBMN-DAWZGUTISA-N 1 3 339.568 3.416 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241634 1385014343 /nfs/dbraw/zinc/01/43/43/1385014343.db2.gz MOFBZRNFLYTQOL-OXQOHEQNSA-N 1 3 343.515 3.031 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001317268840 1385038715 /nfs/dbraw/zinc/03/87/15/1385038715.db2.gz ACWWNZMOUFAYJE-XLIONFOSSA-N 1 3 345.531 3.106 10 0 EGAEHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC001317271474 1385041969 /nfs/dbraw/zinc/04/19/69/1385041969.db2.gz NKPDIZZGINWCJH-QZTJIDSGSA-N 1 3 345.531 3.108 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001317436672 1385139563 /nfs/dbraw/zinc/13/95/63/1385139563.db2.gz ZLGCTTZOBCKRAR-KRWDZBQOSA-N 1 3 346.519 3.058 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001317436672 1385139565 /nfs/dbraw/zinc/13/95/65/1385139565.db2.gz ZLGCTTZOBCKRAR-KRWDZBQOSA-N 1 3 346.519 3.058 10 0 EGAEHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317452590 1385151113 /nfs/dbraw/zinc/15/11/13/1385151113.db2.gz GGWZNFUHTUDCAE-KRWDZBQOSA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317452590 1385151115 /nfs/dbraw/zinc/15/11/15/1385151115.db2.gz GGWZNFUHTUDCAE-KRWDZBQOSA-N 1 3 345.531 3.449 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001329102177 1388968587 /nfs/dbraw/zinc/96/85/87/1388968587.db2.gz BRVHBEQVCOIASX-IRXDYDNUSA-N 1 3 335.536 3.234 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001317934422 1385574603 /nfs/dbraw/zinc/57/46/03/1385574603.db2.gz XSHKXKZAXWLFHA-PWBPZBFBSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2CCC)C1 ZINC001317934422 1385574605 /nfs/dbraw/zinc/57/46/05/1385574605.db2.gz XSHKXKZAXWLFHA-PWBPZBFBSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]CC2(NC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001318670246 1385827895 /nfs/dbraw/zinc/82/78/95/1385827895.db2.gz KVPNEMAGLVMJCQ-UHFFFAOYSA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686713 1385839759 /nfs/dbraw/zinc/83/97/59/1385839759.db2.gz REQATFQTIRVXKC-TZIWHRDSSA-N 1 3 347.547 3.234 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)C1 ZINC001318976516 1385904869 /nfs/dbraw/zinc/90/48/69/1385904869.db2.gz OCKTZZRDQRFJMF-MISYRCLQSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001319710100 1386263163 /nfs/dbraw/zinc/26/31/63/1386263163.db2.gz RHQXENHNXGVVOI-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001698683071 1406330779 /nfs/dbraw/zinc/33/07/79/1406330779.db2.gz OQLZUTVPVKAXLK-PMACEKPBSA-N 1 3 349.563 3.435 10 0 EGAEHO CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCCN2CC)c1 ZINC001322307703 1387152756 /nfs/dbraw/zinc/15/27/56/1387152756.db2.gz RQXCRMIIDXJPCX-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCCN2CC)c1 ZINC001322307703 1387152757 /nfs/dbraw/zinc/15/27/57/1387152757.db2.gz RQXCRMIIDXJPCX-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341701 1387163725 /nfs/dbraw/zinc/16/37/25/1387163725.db2.gz YYXPBFTXJRJRGI-MOPGFXCFSA-N 1 3 347.547 3.236 10 0 EGAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001322701121 1387227246 /nfs/dbraw/zinc/22/72/46/1387227246.db2.gz RUOLIPIGYWXCNE-KRWDZBQOSA-N 1 3 347.528 3.180 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045737 1389292882 /nfs/dbraw/zinc/29/28/82/1389292882.db2.gz DPZOBRGYHCQFKO-FXAWDEMLSA-N 1 3 345.531 3.052 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC001331998403 1389940403 /nfs/dbraw/zinc/94/04/03/1389940403.db2.gz SVPJXJJFTBBADT-FUHWJXTLSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001332428437 1390114706 /nfs/dbraw/zinc/11/47/06/1390114706.db2.gz OZYZNUKZFJYARX-ZWKOTPCHSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826514 1390195463 /nfs/dbraw/zinc/19/54/63/1390195463.db2.gz QCYLSRBYUFBLDM-ROUUACIJSA-N 1 3 337.552 3.027 10 0 EGAEHO CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001332949499 1390222456 /nfs/dbraw/zinc/22/24/56/1390222456.db2.gz GSDAHMIOTKDGRM-DKRLNXSXSA-N 1 3 335.536 3.044 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001333407038 1390298141 /nfs/dbraw/zinc/29/81/41/1390298141.db2.gz SWAVOHVHDNINPM-UHFFFAOYSA-N 1 3 349.563 3.293 10 0 EGAEHO CN(CC(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001333407038 1390298142 /nfs/dbraw/zinc/29/81/42/1390298142.db2.gz SWAVOHVHDNINPM-UHFFFAOYSA-N 1 3 349.563 3.293 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001479688486 1392320081 /nfs/dbraw/zinc/32/00/81/1392320081.db2.gz RTJHYAQBWXLYHT-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001479694728 1392325483 /nfs/dbraw/zinc/32/54/83/1392325483.db2.gz RSVWMWKSIJROFE-IBGZPJMESA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC001479815627 1392408616 /nfs/dbraw/zinc/40/86/16/1392408616.db2.gz KVSPFERUYXJMOM-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001479815627 1392408618 /nfs/dbraw/zinc/40/86/18/1392408618.db2.gz KVSPFERUYXJMOM-UHFFFAOYSA-N 1 3 341.499 3.118 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479821021 1392411675 /nfs/dbraw/zinc/41/16/75/1392411675.db2.gz DHIDGWQKMIDHBV-PXNSSMCTSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001698857067 1406564594 /nfs/dbraw/zinc/56/45/94/1406564594.db2.gz YRCUGCKHAKITAM-ROUUACIJSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001480306681 1392669121 /nfs/dbraw/zinc/66/91/21/1392669121.db2.gz LXMDDTQCNDBPJS-RTBURBONSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)CC[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001480411233 1392747247 /nfs/dbraw/zinc/74/72/47/1392747247.db2.gz JDQRPTGIYQAUHN-UHFFFAOYSA-N 1 3 345.531 3.425 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460626 1392759982 /nfs/dbraw/zinc/75/99/82/1392759982.db2.gz WXRBTNSJWAFMQG-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001480996528 1393075913 /nfs/dbraw/zinc/07/59/13/1393075913.db2.gz ZZYPOFJRFPMAIO-BQFCYCMXSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001480996528 1393075918 /nfs/dbraw/zinc/07/59/18/1393075918.db2.gz ZZYPOFJRFPMAIO-BQFCYCMXSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)N(C)C ZINC001481043826 1393104617 /nfs/dbraw/zinc/10/46/17/1393104617.db2.gz GDJNLAPMFLLBRP-OALUTQOASA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1=CCCCC1)N(C)C ZINC001481043826 1393104619 /nfs/dbraw/zinc/10/46/19/1393104619.db2.gz GDJNLAPMFLLBRP-OALUTQOASA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1F ZINC001481352417 1393174408 /nfs/dbraw/zinc/17/44/08/1393174408.db2.gz WFEQYRHPYUKEBR-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1F ZINC001481352417 1393174409 /nfs/dbraw/zinc/17/44/09/1393174409.db2.gz WFEQYRHPYUKEBR-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001698882626 1406613709 /nfs/dbraw/zinc/61/37/09/1406613709.db2.gz GCDMCWXBXVTQPY-RBUKOAKNSA-N 1 3 337.552 3.314 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCCC1 ZINC001698906523 1406640390 /nfs/dbraw/zinc/64/03/90/1406640390.db2.gz FYEHOACJZQZWKU-UXHICEINSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)CCC1 ZINC001481367333 1394206855 /nfs/dbraw/zinc/20/68/55/1394206855.db2.gz QEADFDCCFAZVDQ-GOSISDBHSA-N 1 3 345.531 3.354 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481744075 1394490266 /nfs/dbraw/zinc/49/02/66/1394490266.db2.gz JRURWBPKCVVTBH-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481744075 1394490267 /nfs/dbraw/zinc/49/02/67/1394490267.db2.gz JRURWBPKCVVTBH-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481744073 1394490348 /nfs/dbraw/zinc/49/03/48/1394490348.db2.gz JRURWBPKCVVTBH-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001481744073 1394490349 /nfs/dbraw/zinc/49/03/49/1394490349.db2.gz JRURWBPKCVVTBH-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001482027990 1394686501 /nfs/dbraw/zinc/68/65/01/1394686501.db2.gz WQSOCOVKKHWGJZ-MXVIHJGJSA-N 1 3 345.531 3.161 10 0 EGAEHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001483955572 1395161577 /nfs/dbraw/zinc/16/15/77/1395161577.db2.gz LIAXCCXANKYUFV-IBGZPJMESA-N 1 3 335.536 3.023 10 0 EGAEHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001484098476 1395249579 /nfs/dbraw/zinc/24/95/79/1395249579.db2.gz ULDKOUATXFGHRI-OAQYLSRUSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCCC1)C2 ZINC001484321433 1395340081 /nfs/dbraw/zinc/34/00/81/1395340081.db2.gz KIZXCYLKTGTMIT-ZCNNSNEGSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCCC1)C2 ZINC001484321433 1395340085 /nfs/dbraw/zinc/34/00/85/1395340085.db2.gz KIZXCYLKTGTMIT-ZCNNSNEGSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC=C(C)C)cc1)N(C)C ZINC001484558275 1395440505 /nfs/dbraw/zinc/44/05/05/1395440505.db2.gz CPJXWAYHTAIGBF-VQIMIIECSA-N 1 3 331.504 3.260 10 0 EGAEHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001494072822 1396351402 /nfs/dbraw/zinc/35/14/02/1396351402.db2.gz GJKGRNNGGXVDIW-IBGZPJMESA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001494072822 1396351404 /nfs/dbraw/zinc/35/14/04/1396351404.db2.gz GJKGRNNGGXVDIW-IBGZPJMESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001495963802 1396579456 /nfs/dbraw/zinc/57/94/56/1396579456.db2.gz RHUILRSVDAQBGE-HDICACEKSA-N 1 3 349.563 3.458 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001496389270 1396683455 /nfs/dbraw/zinc/68/34/55/1396683455.db2.gz KXFGULWDDVORFH-UXHICEINSA-N 1 3 347.547 3.332 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001498483471 1397028695 /nfs/dbraw/zinc/02/86/95/1397028695.db2.gz DOAYSBVXCZLTIM-QZTJIDSGSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689909220 1404202060 /nfs/dbraw/zinc/20/20/60/1404202060.db2.gz MHJJVVFBAULIEB-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001690131613 1404326294 /nfs/dbraw/zinc/32/62/94/1404326294.db2.gz VKDRAVJGNOZTKP-JTHGQSKGSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170851 1404368811 /nfs/dbraw/zinc/36/88/11/1404368811.db2.gz BRBSEGCUXNKQMY-RTBURBONSA-N 1 3 349.563 3.170 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690215153 1404422868 /nfs/dbraw/zinc/42/28/68/1404422868.db2.gz DJIFNZHIGRWWCP-WTGUMLROSA-N 1 3 349.563 3.362 10 0 EGAEHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215813 1404424384 /nfs/dbraw/zinc/42/43/84/1404424384.db2.gz APVPTSIQYRWMRX-BLJGWNJWSA-N 1 3 347.547 3.284 10 0 EGAEHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2=CCCCC2)CCC1 ZINC001690471492 1404595782 /nfs/dbraw/zinc/59/57/82/1404595782.db2.gz IVWZVIYTWUXGJZ-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN(C)C(C)C)c1 ZINC001690487317 1404601578 /nfs/dbraw/zinc/60/15/78/1404601578.db2.gz OLJCHCKJEIXUFN-FQEVSTJZSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001690820158 1404755235 /nfs/dbraw/zinc/75/52/35/1404755235.db2.gz BOLAGSPWPTWKFU-RTBURBONSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001690820158 1404755236 /nfs/dbraw/zinc/75/52/36/1404755236.db2.gz BOLAGSPWPTWKFU-RTBURBONSA-N 1 3 337.552 3.362 10 0 EGAEHO CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691143378 1405076141 /nfs/dbraw/zinc/07/61/41/1405076141.db2.gz PJNRJTZRGKMETD-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C)CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691143378 1405076144 /nfs/dbraw/zinc/07/61/44/1405076144.db2.gz PJNRJTZRGKMETD-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392430 1405230046 /nfs/dbraw/zinc/23/00/46/1405230046.db2.gz QIEHUMOWBZAYPZ-RURPWVQCSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001691402548 1405240049 /nfs/dbraw/zinc/24/00/49/1405240049.db2.gz NBWQABXWVJYYTG-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001691402548 1405240051 /nfs/dbraw/zinc/24/00/51/1405240051.db2.gz NBWQABXWVJYYTG-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001691823372 1405539178 /nfs/dbraw/zinc/53/91/78/1405539178.db2.gz NKXFYSCOOANRPB-BJIFSAINSA-N 1 3 343.943 3.078 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001691942082 1405664352 /nfs/dbraw/zinc/66/43/52/1405664352.db2.gz LUGUCHZEDWQGMT-RBUKOAKNSA-N 1 3 345.531 3.020 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692128155 1405787060 /nfs/dbraw/zinc/78/70/60/1405787060.db2.gz HDHUFAHMYQFNOD-IEBWSBKVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C)N(C)C ZINC001692388785 1405992747 /nfs/dbraw/zinc/99/27/47/1405992747.db2.gz DXUFYOJTVUJRDA-NZSAHSFTSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1C)N(C)C ZINC001692388785 1405992750 /nfs/dbraw/zinc/99/27/50/1405992750.db2.gz DXUFYOJTVUJRDA-NZSAHSFTSA-N 1 3 335.536 3.042 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001698547337 1406144171 /nfs/dbraw/zinc/14/41/71/1406144171.db2.gz IGINNLHDJVYPOL-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)N(CC)CC ZINC001698547337 1406144174 /nfs/dbraw/zinc/14/41/74/1406144174.db2.gz IGINNLHDJVYPOL-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732212162 1428460245 /nfs/dbraw/zinc/46/02/45/1428460245.db2.gz PRWUHGRXIFBBJQ-ZCLAENRFSA-N 1 3 341.515 3.040 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221873 1428470508 /nfs/dbraw/zinc/47/05/08/1428470508.db2.gz HHXKRIPGIKFXLY-AZUAARDMSA-N 1 3 345.531 3.244 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001732328698 1428535583 /nfs/dbraw/zinc/53/55/83/1428535583.db2.gz GIPHFKRHTQUTLP-YSKLNCTFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)N1CCCCCC1 ZINC001732470021 1428598541 /nfs/dbraw/zinc/59/85/41/1428598541.db2.gz PRTOSJXSGZVAKQ-ROUUACIJSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)c1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001699105893 1412513273 /nfs/dbraw/zinc/51/32/73/1412513273.db2.gz KDHRIAUESDDXJN-KRWDZBQOSA-N 1 3 345.531 3.279 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158525 1412542443 /nfs/dbraw/zinc/54/24/43/1412542443.db2.gz FTHLHAZTZXYCAN-QUCCMNQESA-N 1 3 345.531 3.162 10 0 EGAEHO C[C@H]([NH2+]C/C=C/CNC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001699268268 1412605971 /nfs/dbraw/zinc/60/59/71/1412605971.db2.gz VLSBULBAHWKXHE-BWPKMQGJSA-N 1 3 349.906 3.147 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001699314426 1412633781 /nfs/dbraw/zinc/63/37/81/1412633781.db2.gz NMCBARPFBAPCGC-DUIUGDAFSA-N 1 3 349.563 3.482 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001699432721 1412751067 /nfs/dbraw/zinc/75/10/67/1412751067.db2.gz DGWTXNNGCRKFSW-PKOBYXMFSA-N 1 3 337.552 3.316 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1C ZINC001699474177 1412862865 /nfs/dbraw/zinc/86/28/65/1412862865.db2.gz KFWFIXGJIFDIKO-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1C ZINC001699474177 1412862869 /nfs/dbraw/zinc/86/28/69/1412862869.db2.gz KFWFIXGJIFDIKO-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]CC2CC(C)(C)C2)c1 ZINC001699550659 1412919602 /nfs/dbraw/zinc/91/96/02/1412919602.db2.gz GVMQTYLMIGLLQA-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[C@H](C(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1)N(C)C ZINC001699771252 1413177752 /nfs/dbraw/zinc/17/77/52/1413177752.db2.gz UKIGMEZLHIZHEJ-DAWZGUTISA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)NCC2(C)CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001699862133 1413297002 /nfs/dbraw/zinc/29/70/02/1413297002.db2.gz OOWFNVURNJBRDO-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001699863616 1413299298 /nfs/dbraw/zinc/29/92/98/1413299298.db2.gz CBDXASSCFLAXHX-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NCc1ccc([C@H](C)NCCF)cc1)[NH+]1CCCC1 ZINC001700100529 1413517517 /nfs/dbraw/zinc/51/75/17/1413517517.db2.gz VRTGSFQWEUDONA-QFBILLFUSA-N 1 3 349.494 3.043 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)N1CCCCC1 ZINC001700133486 1413550413 /nfs/dbraw/zinc/55/04/13/1413550413.db2.gz WTVAHSQZFMVNOU-UHFFFAOYSA-N 1 3 347.547 3.380 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001700184323 1413602436 /nfs/dbraw/zinc/60/24/36/1413602436.db2.gz KHFJJOOGGLXXPT-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001700184323 1413602440 /nfs/dbraw/zinc/60/24/40/1413602440.db2.gz KHFJJOOGGLXXPT-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199724 1413642997 /nfs/dbraw/zinc/64/29/97/1413642997.db2.gz ZCNGJDFIXRKWRN-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199724 1413643000 /nfs/dbraw/zinc/64/30/00/1413643000.db2.gz ZCNGJDFIXRKWRN-RBUKOAKNSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001700474427 1414097576 /nfs/dbraw/zinc/09/75/76/1414097576.db2.gz OOOYDBDGCXCLRY-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001700474427 1414097583 /nfs/dbraw/zinc/09/75/83/1414097583.db2.gz OOOYDBDGCXCLRY-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001700545547 1414214266 /nfs/dbraw/zinc/21/42/66/1414214266.db2.gz JGCIKNTUSCQTAN-MJIPRMEISA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001700923667 1414576216 /nfs/dbraw/zinc/57/62/16/1414576216.db2.gz OXNVFTTWVMMRMD-LXORQPIJSA-N 1 3 349.563 3.434 10 0 EGAEHO CCN(CCNCc1ccccc1F)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732775375 1428962898 /nfs/dbraw/zinc/96/28/98/1428962898.db2.gz QWJLGUXJTKHACL-UHFFFAOYSA-N 1 3 349.494 3.028 10 0 EGAEHO C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)C(C)(C)N1CCCCC1 ZINC001732954161 1429078110 /nfs/dbraw/zinc/07/81/10/1429078110.db2.gz MZMMNLLPYYLNAC-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001732995972 1429119906 /nfs/dbraw/zinc/11/99/06/1429119906.db2.gz BHTOYYUHRQHVDH-KRWDZBQOSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001707117608 1417208564 /nfs/dbraw/zinc/20/85/64/1417208564.db2.gz XCUFKXSQPMEDLZ-FGTMMUONSA-N 1 3 337.552 3.029 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001707242833 1417262706 /nfs/dbraw/zinc/26/27/06/1417262706.db2.gz XAVUCJRGPIRNEX-OALUTQOASA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001707244578 1417263129 /nfs/dbraw/zinc/26/31/29/1417263129.db2.gz IXYIFZRIEZQTSR-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001712999604 1417551998 /nfs/dbraw/zinc/55/19/98/1417551998.db2.gz NRSZXJQSJFWSJC-VQIMIIECSA-N 1 3 346.519 3.282 10 0 EGAEHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccsc1 ZINC001713423034 1418049086 /nfs/dbraw/zinc/04/90/86/1418049086.db2.gz FYWANMCHHYDDNK-OAHLLOKOSA-N 1 3 345.512 3.108 10 0 EGAEHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001713473285 1418148011 /nfs/dbraw/zinc/14/80/11/1418148011.db2.gz SXDCLMNTDXEPSK-QZTJIDSGSA-N 1 3 345.531 3.261 10 0 EGAEHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001713473285 1418148016 /nfs/dbraw/zinc/14/80/16/1418148016.db2.gz SXDCLMNTDXEPSK-QZTJIDSGSA-N 1 3 345.531 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001714177947 1418985962 /nfs/dbraw/zinc/98/59/62/1418985962.db2.gz PIPLXKZEPDDWEN-FQEVSTJZSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001714198115 1419003332 /nfs/dbraw/zinc/00/33/32/1419003332.db2.gz HJLSMBPELYWBRF-UHFFFAOYSA-N 1 3 346.519 3.248 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001714200171 1419004526 /nfs/dbraw/zinc/00/45/26/1419004526.db2.gz OGJALTHEPCFBNC-MNNVXMFVSA-N 1 3 349.494 3.244 10 0 EGAEHO CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001714330231 1419109514 /nfs/dbraw/zinc/10/95/14/1419109514.db2.gz GKDCHESKBQKYCH-FQEVSTJZSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001714331313 1419111073 /nfs/dbraw/zinc/11/10/73/1419111073.db2.gz VVOPVICFWSULHQ-UHFFFAOYSA-N 1 3 335.536 3.047 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]CCCC(C)(C)C ZINC001714433253 1419165798 /nfs/dbraw/zinc/16/57/98/1419165798.db2.gz BDKWSKCVOPXOHD-ZWKOTPCHSA-N 1 3 339.568 3.419 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N1CCCCC1 ZINC001733210647 1429321895 /nfs/dbraw/zinc/32/18/95/1429321895.db2.gz LFYOOYSCWFVDOT-GOSISDBHSA-N 1 3 347.547 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1)N1CCCCC1 ZINC001733210647 1429321902 /nfs/dbraw/zinc/32/19/02/1429321902.db2.gz LFYOOYSCWFVDOT-GOSISDBHSA-N 1 3 347.547 3.022 10 0 EGAEHO C[C@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714754009 1419495081 /nfs/dbraw/zinc/49/50/81/1419495081.db2.gz WWTKCZIECNUSBY-VQIMIIECSA-N 1 3 345.531 3.088 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)c1 ZINC001715255224 1419978291 /nfs/dbraw/zinc/97/82/91/1419978291.db2.gz SQFVHFLBNXEPGV-LJQANCHMSA-N 1 3 349.494 3.082 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715413809 1420109041 /nfs/dbraw/zinc/10/90/41/1420109041.db2.gz JGKDMQCAMUMNSK-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445570 1420129952 /nfs/dbraw/zinc/12/99/52/1420129952.db2.gz JNZGIUQQFBGZRZ-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001715464254 1420143780 /nfs/dbraw/zinc/14/37/80/1420143780.db2.gz YVTWFLKLQSXUCR-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916496 1420395819 /nfs/dbraw/zinc/39/58/19/1420395819.db2.gz YDEZQMYAZLTAER-IDOMTICXSA-N 1 3 347.478 3.025 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCCC1 ZINC001716507700 1420739301 /nfs/dbraw/zinc/73/93/01/1420739301.db2.gz GDIIKFGDURBXEF-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCCCC1 ZINC001716507700 1420739303 /nfs/dbraw/zinc/73/93/03/1420739303.db2.gz GDIIKFGDURBXEF-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001716568979 1420763269 /nfs/dbraw/zinc/76/32/69/1420763269.db2.gz ZKBCGINNFWNHGV-FQEVSTJZSA-N 1 3 341.499 3.118 10 0 EGAEHO CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C1CC1)N1CCCC1 ZINC001716617539 1420780763 /nfs/dbraw/zinc/78/07/63/1420780763.db2.gz LIUNPAQXANGAQJ-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H](C)C2)cc1 ZINC001716770189 1420914642 /nfs/dbraw/zinc/91/46/42/1420914642.db2.gz WMKYCKYTHSRLFH-FXAWDEMLSA-N 1 3 345.531 3.058 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848292 1420976229 /nfs/dbraw/zinc/97/62/29/1420976229.db2.gz ARTMQDUHDTZQDI-NQIIRXRSSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001716848292 1420976232 /nfs/dbraw/zinc/97/62/32/1420976232.db2.gz ARTMQDUHDTZQDI-NQIIRXRSSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001716968692 1421056180 /nfs/dbraw/zinc/05/61/80/1421056180.db2.gz DMOLBNRGCZPOBU-ROUUACIJSA-N 1 3 339.568 3.227 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)N(C)C ZINC001717003188 1421072480 /nfs/dbraw/zinc/07/24/80/1421072480.db2.gz PQJCXYOGJWIFCI-FHWLQOOXSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1C ZINC001717376394 1421318304 /nfs/dbraw/zinc/31/83/04/1421318304.db2.gz PZDKSOXIZXMZQY-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1C ZINC001717376394 1421318308 /nfs/dbraw/zinc/31/83/08/1421318308.db2.gz PZDKSOXIZXMZQY-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001717448404 1421378300 /nfs/dbraw/zinc/37/83/00/1421378300.db2.gz JAORFKXRFREAAM-WAYWQWQTSA-N 1 3 332.492 3.058 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744404 1421607931 /nfs/dbraw/zinc/60/79/31/1421607931.db2.gz AQPWTDGJMWQQJM-LPHOPBHVSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744403 1421607952 /nfs/dbraw/zinc/60/79/52/1421607952.db2.gz AQPWTDGJMWQQJM-APWZRJJASA-N 1 3 349.494 3.025 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC001717901005 1421697424 /nfs/dbraw/zinc/69/74/24/1421697424.db2.gz UXNMNKUSFYMKHA-WFJXPABVSA-N 1 3 337.552 3.146 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CN(C)C1CCC1 ZINC001717948346 1421715021 /nfs/dbraw/zinc/71/50/21/1421715021.db2.gz LENGIQIUAFTVPF-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)CN(C)C1CCC1 ZINC001717948346 1421715023 /nfs/dbraw/zinc/71/50/23/1421715023.db2.gz LENGIQIUAFTVPF-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001733465522 1429698074 /nfs/dbraw/zinc/69/80/74/1429698074.db2.gz MNKWVQCEJOOXSO-CTNGQTDRSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001733465522 1429698083 /nfs/dbraw/zinc/69/80/83/1429698083.db2.gz MNKWVQCEJOOXSO-CTNGQTDRSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H](NC/C=C\Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745895 1425115087 /nfs/dbraw/zinc/11/50/87/1425115087.db2.gz UIDNFZGNGSPCPL-QFKSVDAYSA-N 1 3 349.906 3.046 10 0 EGAEHO C[C@@H](NC/C=C\Cl)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001724745895 1425115089 /nfs/dbraw/zinc/11/50/89/1425115089.db2.gz UIDNFZGNGSPCPL-QFKSVDAYSA-N 1 3 349.906 3.046 10 0 EGAEHO C[C@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001724748385 1425117483 /nfs/dbraw/zinc/11/74/83/1425117483.db2.gz IVBDOKBGKBGPGT-PVFHKVBPSA-N 1 3 349.906 3.048 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749461 1425119063 /nfs/dbraw/zinc/11/90/63/1425119063.db2.gz MYAMDJHMCTVQPF-UXHICEINSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001724759889 1425131209 /nfs/dbraw/zinc/13/12/09/1425131209.db2.gz SAKCIEHTFPRUPK-KDURUIRLSA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1)N(C)C ZINC001724957607 1425344714 /nfs/dbraw/zinc/34/47/14/1425344714.db2.gz WTZDCTSIMPLQKO-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979634 1425382058 /nfs/dbraw/zinc/38/20/58/1425382058.db2.gz NLMKKQLGWNVNTG-QZTJIDSGSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979634 1425382067 /nfs/dbraw/zinc/38/20/67/1425382067.db2.gz NLMKKQLGWNVNTG-QZTJIDSGSA-N 1 3 337.552 3.122 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001725159159 1425654206 /nfs/dbraw/zinc/65/42/06/1425654206.db2.gz HACLOTQBYCKYGR-ICSRJNTNSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c(C)c1 ZINC001725159159 1425654210 /nfs/dbraw/zinc/65/42/10/1425654210.db2.gz HACLOTQBYCKYGR-ICSRJNTNSA-N 1 3 345.531 3.113 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC001725345923 1425997157 /nfs/dbraw/zinc/99/71/57/1425997157.db2.gz QEPXVCWTQKIXBR-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC001725345923 1425997160 /nfs/dbraw/zinc/99/71/60/1425997160.db2.gz QEPXVCWTQKIXBR-UHFFFAOYSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)[NH2+]CCC[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001725437853 1426099479 /nfs/dbraw/zinc/09/94/79/1426099479.db2.gz DPCPJICRAWDTFP-VQTJNVASSA-N 1 3 345.531 3.495 10 0 EGAEHO CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001725734185 1426408121 /nfs/dbraw/zinc/40/81/21/1426408121.db2.gz WPZPXBXGGSCIPP-UHFFFAOYSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)N(CC[N@@H+](C)Cc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001725734185 1426408124 /nfs/dbraw/zinc/40/81/24/1426408124.db2.gz WPZPXBXGGSCIPP-UHFFFAOYSA-N 1 3 345.531 3.087 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C)N(C)C ZINC001725746560 1426424385 /nfs/dbraw/zinc/42/43/85/1426424385.db2.gz OQKAFTLFBMXFFY-MOPGFXCFSA-N 1 3 347.547 3.264 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001725830873 1426508854 /nfs/dbraw/zinc/50/88/54/1426508854.db2.gz WSJDWKUSOAUNNL-ROUUACIJSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001725830873 1426508857 /nfs/dbraw/zinc/50/88/57/1426508857.db2.gz WSJDWKUSOAUNNL-ROUUACIJSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001731479971 1427456245 /nfs/dbraw/zinc/45/62/45/1427456245.db2.gz RYFPZNRZTSXUAO-HDICACEKSA-N 1 3 343.515 3.031 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503501 1427486527 /nfs/dbraw/zinc/48/65/27/1427486527.db2.gz MIXWVDAWFBKNHD-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503501 1427486529 /nfs/dbraw/zinc/48/65/29/1427486529.db2.gz MIXWVDAWFBKNHD-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001731528902 1427519110 /nfs/dbraw/zinc/51/91/10/1427519110.db2.gz BPDISVJXJWKNNO-UYAOXDASSA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001731573939 1427617238 /nfs/dbraw/zinc/61/72/38/1427617238.db2.gz UOUNLNSWUVKKOK-AFMYVXGZSA-N 1 3 343.515 3.031 10 0 EGAEHO CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001731715031 1427778079 /nfs/dbraw/zinc/77/80/79/1427778079.db2.gz OJFLTXJOCKZVLV-XFIQWEIDSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001731715031 1427778083 /nfs/dbraw/zinc/77/80/83/1427778083.db2.gz OJFLTXJOCKZVLV-XFIQWEIDSA-N 1 3 337.552 3.242 10 0 EGAEHO CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001731746729 1427837737 /nfs/dbraw/zinc/83/77/37/1427837737.db2.gz JAPYHHZBGGTUHZ-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001731746729 1427837739 /nfs/dbraw/zinc/83/77/39/1427837739.db2.gz JAPYHHZBGGTUHZ-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001731774504 1427888743 /nfs/dbraw/zinc/88/87/43/1427888743.db2.gz UYFCJJLSERICNK-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001731774504 1427888745 /nfs/dbraw/zinc/88/87/45/1427888745.db2.gz UYFCJJLSERICNK-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716072 1429935130 /nfs/dbraw/zinc/93/51/30/1429935130.db2.gz DFXMHBNLCNICRT-QGZVFWFLSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001733814793 1430095419 /nfs/dbraw/zinc/09/54/19/1430095419.db2.gz WGUIWGHHSICXNT-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001733814793 1430095423 /nfs/dbraw/zinc/09/54/23/1430095423.db2.gz WGUIWGHHSICXNT-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001734038324 1437826303 /nfs/dbraw/zinc/82/63/03/1437826303.db2.gz AQHQYTLPLPEHLL-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001734038324 1437826304 /nfs/dbraw/zinc/82/63/04/1437826304.db2.gz AQHQYTLPLPEHLL-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001734056904 1437848701 /nfs/dbraw/zinc/84/87/01/1437848701.db2.gz DRGVDRBXIPLXOS-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001734056904 1437848703 /nfs/dbraw/zinc/84/87/03/1437848703.db2.gz DRGVDRBXIPLXOS-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001734488837 1438129714 /nfs/dbraw/zinc/12/97/14/1438129714.db2.gz SGQKQEZAIYZKOU-XLIONFOSSA-N 1 3 343.515 3.203 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000103227994 219272258 /nfs/dbraw/zinc/27/22/58/219272258.db2.gz KWCHKDTTXUVGTM-HXUWFJFHSA-N 1 3 348.531 3.006 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000103227994 219272261 /nfs/dbraw/zinc/27/22/61/219272261.db2.gz KWCHKDTTXUVGTM-HXUWFJFHSA-N 1 3 348.531 3.006 10 0 EGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C1CCSCC1 ZINC000187257268 299282139 /nfs/dbraw/zinc/28/21/39/299282139.db2.gz KFXHIYSBQNUQSV-KRWDZBQOSA-N 1 3 339.593 3.058 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764285 252212742 /nfs/dbraw/zinc/21/27/42/252212742.db2.gz ITZFULSWKYMDNP-CVEARBPZSA-N 1 3 332.492 3.209 10 0 EGAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000341259887 141145932 /nfs/dbraw/zinc/14/59/32/141145932.db2.gz LRDPOZKDYYLJTL-IYBDPMFKSA-N 1 3 332.492 3.133 10 0 EGAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000341259887 141145933 /nfs/dbraw/zinc/14/59/33/141145933.db2.gz LRDPOZKDYYLJTL-IYBDPMFKSA-N 1 3 332.492 3.133 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)CC1 ZINC000191521133 153203535 /nfs/dbraw/zinc/20/35/35/153203535.db2.gz QBDLZNGPYKBXGT-MOPGFXCFSA-N 1 3 333.520 3.469 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)CC1 ZINC000191521133 153203537 /nfs/dbraw/zinc/20/35/37/153203537.db2.gz QBDLZNGPYKBXGT-MOPGFXCFSA-N 1 3 333.520 3.469 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000310275187 154140998 /nfs/dbraw/zinc/14/09/98/154140998.db2.gz UQBLLUJBOGLQTB-XUVXKRRUSA-N 1 3 328.500 3.303 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cn1 ZINC000346169700 164355695 /nfs/dbraw/zinc/35/56/95/164355695.db2.gz MTNVJVRQOAVKSI-BEFAXECRSA-N 1 3 342.512 3.383 10 0 EGAEHO c1cn(-c2csc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cn1 ZINC000346169700 164355696 /nfs/dbraw/zinc/35/56/96/164355696.db2.gz MTNVJVRQOAVKSI-BEFAXECRSA-N 1 3 342.512 3.383 10 0 EGAEHO c1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)n(-c2ccccc2)n1 ZINC000355214886 166136214 /nfs/dbraw/zinc/13/62/14/166136214.db2.gz HJWNITGXHBMGBB-HXUWFJFHSA-N 1 3 346.478 3.484 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367599185 168247515 /nfs/dbraw/zinc/24/75/15/168247515.db2.gz GXLTWDYYSHGYOR-OLMNPRSZSA-N 1 3 349.906 3.439 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367599185 168247517 /nfs/dbraw/zinc/24/75/17/168247517.db2.gz GXLTWDYYSHGYOR-OLMNPRSZSA-N 1 3 349.906 3.439 10 0 EGAEHO CN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352103370 290219093 /nfs/dbraw/zinc/21/90/93/290219093.db2.gz OAABXSNXFWCSJH-MNEFBYGVSA-N 1 3 337.458 3.174 10 0 EGAEHO OC1(C[NH2+][C@H](C2CC2)C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000414294366 309071215 /nfs/dbraw/zinc/07/12/15/309071215.db2.gz CCHONJZIIBNJPT-FQEVSTJZSA-N 1 3 328.500 3.182 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)C(CC)CC)CC1 ZINC000236783708 307944130 /nfs/dbraw/zinc/94/41/30/307944130.db2.gz PFVBZDZTQZNFPU-NRFANRHFSA-N 1 3 347.547 3.105 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)[C@H](C)CC)CC1 ZINC000236783795 307944133 /nfs/dbraw/zinc/94/41/33/307944133.db2.gz AEYBAYWNRROVCP-NQIIRXRSSA-N 1 3 347.547 3.105 10 0 EGAEHO C[C@H](Cc1ccccc1)CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000248537647 308005145 /nfs/dbraw/zinc/00/51/45/308005145.db2.gz AABXUNXETWZRNG-NJDAHSKKSA-N 1 3 343.559 3.356 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000414513388 309085715 /nfs/dbraw/zinc/08/57/15/309085715.db2.gz KDNPYDIWXPUHKP-BJLQDIEVSA-N 1 3 345.531 3.122 10 0 EGAEHO O=C(CCCN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000294838423 308262752 /nfs/dbraw/zinc/26/27/52/308262752.db2.gz BCYRTAGYJPPHEE-UHFFFAOYSA-N 1 3 344.499 3.226 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000414808984 309102776 /nfs/dbraw/zinc/10/27/76/309102776.db2.gz LQBHDNAHRGCGSW-GFCCVEGCSA-N 1 3 332.831 3.421 10 0 EGAEHO Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)[C@@H](C)N)cc3)nc12 ZINC000415017035 309114614 /nfs/dbraw/zinc/11/46/14/309114614.db2.gz PDVFLCDKUDTMFI-HZPDHXFCSA-N 1 3 338.455 3.047 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C)c(O)c(C)c3)CC2)CC1 ZINC000421367026 309320710 /nfs/dbraw/zinc/32/07/10/309320710.db2.gz DJAKWBFADOUAGF-UHFFFAOYSA-N 1 3 345.531 3.001 10 0 EGAEHO CCN1CCC([N@H+]2CCCN(Cc3cc(C)c(O)c(C)c3)CC2)CC1 ZINC000421367026 309320711 /nfs/dbraw/zinc/32/07/11/309320711.db2.gz DJAKWBFADOUAGF-UHFFFAOYSA-N 1 3 345.531 3.001 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752648 309366623 /nfs/dbraw/zinc/36/66/23/309366623.db2.gz CVAVMOVEGOMZIO-CRAIPNDOSA-N 1 3 342.462 3.307 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)COc1ccc(F)cc1F ZINC000422757165 309366862 /nfs/dbraw/zinc/36/68/62/309366862.db2.gz IFPJIIVCNSSNOH-NEPJUHHUSA-N 1 3 335.398 3.245 10 0 EGAEHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422843140 309371570 /nfs/dbraw/zinc/37/15/70/309371570.db2.gz HDJMQNKZIJETQS-ROUUACIJSA-N 1 3 327.403 3.047 10 0 EGAEHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875332 309373161 /nfs/dbraw/zinc/37/31/61/309373161.db2.gz DTYJLRBCYFHNRS-QYZOEREBSA-N 1 3 341.524 3.317 10 0 EGAEHO Clc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422879166 309373694 /nfs/dbraw/zinc/37/36/94/309373694.db2.gz UUQLPDPQXRKHCX-CWLKWCNXSA-N 1 3 348.922 3.214 10 0 EGAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(OCCN(C)C)cc1 ZINC000422893887 309374700 /nfs/dbraw/zinc/37/47/00/309374700.db2.gz BEZWHGYCCNJAQZ-IEBWSBKVSA-N 1 3 333.520 3.027 10 0 EGAEHO c1ccc(C[C@@H]2C[C@@H]2N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916756 309376024 /nfs/dbraw/zinc/37/60/24/309376024.db2.gz DZPXARVFBWPVTJ-IWLVTHKOSA-N 1 3 334.463 3.463 10 0 EGAEHO CC(C)N1CCN(c2cccc(NC3CCC(C[NH3+])CC3)c2)CC1 ZINC000423023782 309381527 /nfs/dbraw/zinc/38/15/27/309381527.db2.gz IAQJTRWEZIRVOH-UHFFFAOYSA-N 1 3 330.520 3.146 10 0 EGAEHO CC[C@@H](N[C@@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058404 309383603 /nfs/dbraw/zinc/38/36/03/309383603.db2.gz CBUPWIAUQWQSBJ-LSDHHAIUSA-N 1 3 347.272 3.383 10 0 EGAEHO CC(C)(C)CC[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093137 309385539 /nfs/dbraw/zinc/38/55/39/309385539.db2.gz FZDFGGNYJGVKLJ-MDYRTPRTSA-N 1 3 332.488 3.019 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423134299 309387617 /nfs/dbraw/zinc/38/76/17/309387617.db2.gz LTXNZGYRBHDTBA-RRFJBIMHSA-N 1 3 327.394 3.153 10 0 EGAEHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423208067 309390538 /nfs/dbraw/zinc/39/05/38/309390538.db2.gz YPRKPPLIPLWFII-LJQANCHMSA-N 1 3 341.503 3.359 10 0 EGAEHO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCOCCN(C)C)cc1 ZINC000447604057 309984262 /nfs/dbraw/zinc/98/42/62/309984262.db2.gz YJYYCBWWQZBXCM-WOJBJXKFSA-N 1 3 334.504 3.278 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCOCC(F)(F)F)CC1 ZINC000449073194 310034900 /nfs/dbraw/zinc/03/49/00/310034900.db2.gz RGYSOMNPSXUMRQ-OAHLLOKOSA-N 1 3 344.421 3.251 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCOC(F)(F)F)CC1 ZINC000449281555 310049886 /nfs/dbraw/zinc/04/98/86/310049886.db2.gz ZUOXVNBHFBWDAD-CQSZACIVSA-N 1 3 330.394 3.208 10 0 EGAEHO C[S@@](=O)C1(C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449299961 310051415 /nfs/dbraw/zinc/05/14/15/310051415.db2.gz BWDSLTNIZUXTDG-JOCHJYFZSA-N 1 3 328.566 3.166 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](SC)C2)CC1 ZINC000449445780 310062606 /nfs/dbraw/zinc/06/26/06/310062606.db2.gz LVIPZBHTFISMMT-SFHVURJKSA-N 1 3 333.545 3.156 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](SC)C2)CC1 ZINC000449445780 310062607 /nfs/dbraw/zinc/06/26/07/310062607.db2.gz LVIPZBHTFISMMT-SFHVURJKSA-N 1 3 333.545 3.156 10 0 EGAEHO c1ccc(OC2CC2)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000450452977 310123634 /nfs/dbraw/zinc/12/36/34/310123634.db2.gz NVYYVWPFJPSLNR-UHFFFAOYSA-N 1 3 344.499 3.305 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453063496 310255373 /nfs/dbraw/zinc/25/53/73/310255373.db2.gz NRPFJFAVRQEKQG-LZQZEXGQSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453063496 310255374 /nfs/dbraw/zinc/25/53/74/310255374.db2.gz NRPFJFAVRQEKQG-LZQZEXGQSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453063496 310255375 /nfs/dbraw/zinc/25/53/75/310255375.db2.gz NRPFJFAVRQEKQG-LZQZEXGQSA-N 1 3 336.907 3.362 10 0 EGAEHO CC[NH+]1CCC(CCNCc2ccnn2-c2ccccc2C)CC1 ZINC000474803742 310799587 /nfs/dbraw/zinc/79/95/87/310799587.db2.gz GPQQGKHSTOSGIB-UHFFFAOYSA-N 1 3 326.488 3.392 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000514100011 312224914 /nfs/dbraw/zinc/22/49/14/312224914.db2.gz SLYZNDFORUJPJP-HSALFYBXSA-N 1 3 342.531 3.424 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000514100011 312224915 /nfs/dbraw/zinc/22/49/15/312224915.db2.gz SLYZNDFORUJPJP-HSALFYBXSA-N 1 3 342.531 3.424 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000514100011 312224919 /nfs/dbraw/zinc/22/49/19/312224919.db2.gz SLYZNDFORUJPJP-HSALFYBXSA-N 1 3 342.531 3.424 10 0 EGAEHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000534328097 313972822 /nfs/dbraw/zinc/97/28/22/313972822.db2.gz BTXRMQKLLUAYLH-ZDUSSCGKSA-N 1 3 327.875 3.156 10 0 EGAEHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000535777023 314073386 /nfs/dbraw/zinc/07/33/86/314073386.db2.gz DWCSEBRRCXLPEI-ZDUSSCGKSA-N 1 3 327.875 3.156 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552046858 315192746 /nfs/dbraw/zinc/19/27/46/315192746.db2.gz UYGIOLUVNKXNBG-CMOCDZPBSA-N 1 3 341.543 3.013 10 0 EGAEHO O[C@@H](CNCc1ccccc1C[NH+]1CCCCC1)CC(F)(F)F ZINC000564846388 316216569 /nfs/dbraw/zinc/21/65/69/316216569.db2.gz MRRCPQVGMKOZOX-MRXNPFEDSA-N 1 3 330.394 3.075 10 0 EGAEHO O=C(Nc1ccccc1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051566 316716148 /nfs/dbraw/zinc/71/61/48/316716148.db2.gz QVKLTZHSUNBGOS-UHFFFAOYSA-N 1 3 349.478 3.183 10 0 EGAEHO CN(C)CCOCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000578960042 325041602 /nfs/dbraw/zinc/04/16/02/325041602.db2.gz YXRFCAYVDOTZJZ-HXUWFJFHSA-N 1 3 330.447 3.277 10 0 EGAEHO FC(F)(F)c1ccn(C2CC[NH+](CCCN3CCCC3)CC2)n1 ZINC000183170005 455242815 /nfs/dbraw/zinc/24/28/15/455242815.db2.gz KDSOIUYRVSWXMZ-UHFFFAOYSA-N 1 3 330.398 3.025 10 0 EGAEHO COc1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1OC1CC1 ZINC000623491995 460578776 /nfs/dbraw/zinc/57/87/76/460578776.db2.gz HUEURMSUMQPCEB-UHFFFAOYSA-N 1 3 332.488 3.448 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000245679772 455354413 /nfs/dbraw/zinc/35/44/13/455354413.db2.gz IQBNEOWUVRWBKG-JTIOYYDXSA-N 1 3 339.527 3.397 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccsc1C(F)(F)F ZINC000623562824 460613820 /nfs/dbraw/zinc/61/38/20/460613820.db2.gz DKXRCSKADMAPKZ-LBPRGKRZSA-N 1 3 337.455 3.129 10 0 EGAEHO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245776166 455377635 /nfs/dbraw/zinc/37/76/35/455377635.db2.gz YDCAOSUNBYUWKH-XLGPZGCCSA-N 1 3 348.490 3.430 10 0 EGAEHO C[C@@H](CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076074 455437061 /nfs/dbraw/zinc/43/70/61/455437061.db2.gz OCINOGOCXYKREV-PZJWPPBQSA-N 1 3 329.532 3.282 10 0 EGAEHO C[C@@H](CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000191076074 455437064 /nfs/dbraw/zinc/43/70/64/455437064.db2.gz OCINOGOCXYKREV-PZJWPPBQSA-N 1 3 329.532 3.282 10 0 EGAEHO CCN1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000163241702 454834194 /nfs/dbraw/zinc/83/41/94/454834194.db2.gz RUCLUUCDAKGKEI-MRXNPFEDSA-N 1 3 335.923 3.236 10 0 EGAEHO COc1cccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)c1 ZINC000177381209 454858236 /nfs/dbraw/zinc/85/82/36/454858236.db2.gz DCWUKEFKTPYTJT-GOSISDBHSA-N 1 3 345.531 3.296 10 0 EGAEHO CCCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000165494960 454900625 /nfs/dbraw/zinc/90/06/25/454900625.db2.gz IITACSNDQMBPRD-AABGKKOBSA-N 1 3 343.515 3.017 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155659026 455027915 /nfs/dbraw/zinc/02/79/15/455027915.db2.gz WPDVBENBNQHMFQ-UYAOXDASSA-N 1 3 345.531 3.133 10 0 EGAEHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000623656099 460663293 /nfs/dbraw/zinc/66/32/93/460663293.db2.gz MYGJCYQIUSMDTJ-HNNXBMFYSA-N 1 3 330.394 3.449 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000180160498 455142010 /nfs/dbraw/zinc/14/20/10/455142010.db2.gz IQBNEOWUVRWBKG-QUQREYOPSA-N 1 3 339.527 3.397 10 0 EGAEHO CCC[NH+]1CCC(CN[C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183555095 455305992 /nfs/dbraw/zinc/30/59/92/455305992.db2.gz MCIORDXMHVLIDH-INIZCTEOSA-N 1 3 348.487 3.011 10 0 EGAEHO CN(C[C@H](O)CC1CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000190612956 455352736 /nfs/dbraw/zinc/35/27/36/455352736.db2.gz CQMRQSCWKLOEDZ-NHCUHLMSSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@H](O)CC1CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000190612956 455352741 /nfs/dbraw/zinc/35/27/41/455352741.db2.gz CQMRQSCWKLOEDZ-NHCUHLMSSA-N 1 3 330.516 3.382 10 0 EGAEHO C[C@H](CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076057 455436862 /nfs/dbraw/zinc/43/68/62/455436862.db2.gz OCINOGOCXYKREV-CTNGQTDRSA-N 1 3 329.532 3.282 10 0 EGAEHO C[C@H](CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000191076057 455436866 /nfs/dbraw/zinc/43/68/66/455436866.db2.gz OCINOGOCXYKREV-CTNGQTDRSA-N 1 3 329.532 3.282 10 0 EGAEHO Cc1ccc2nccc(N(C)CC3CC[NH+](C[C@@H](C)O)CC3)c2c1 ZINC000185643563 455588511 /nfs/dbraw/zinc/58/85/11/455588511.db2.gz JKAGSIYFCVCZHM-MRXNPFEDSA-N 1 3 327.472 3.072 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc2c(c1)sc(=O)n2C ZINC000192476829 455627303 /nfs/dbraw/zinc/62/73/03/455627303.db2.gz DAALQDAVPXSCEH-OAHLLOKOSA-N 1 3 347.528 3.344 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc2c(c1)sc(=O)n2C ZINC000192476829 455627306 /nfs/dbraw/zinc/62/73/06/455627306.db2.gz DAALQDAVPXSCEH-OAHLLOKOSA-N 1 3 347.528 3.344 10 0 EGAEHO c1ccc(CN2CC[C@H](N3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246478 456190246 /nfs/dbraw/zinc/19/02/46/456190246.db2.gz CPQMDDYCWHPJEL-SFTDATJTSA-N 1 3 327.516 3.069 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000290027057 456218949 /nfs/dbraw/zinc/21/89/49/456218949.db2.gz NBWLBRGHXDCCBE-YLJYHZDGSA-N 1 3 334.504 3.012 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000290027057 456218954 /nfs/dbraw/zinc/21/89/54/456218954.db2.gz NBWLBRGHXDCCBE-YLJYHZDGSA-N 1 3 334.504 3.012 10 0 EGAEHO C[C@H]1C[C@@H](NCc2ccc3cncn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529315 456244739 /nfs/dbraw/zinc/24/47/39/456244739.db2.gz NWDGPNREZLKMJE-PXNSSMCTSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@H]1C[C@@H](NCc2ccc3cncn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297529315 456244747 /nfs/dbraw/zinc/24/47/47/456244747.db2.gz NWDGPNREZLKMJE-PXNSSMCTSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]Cc2ccc3cncn3c2)CCN1Cc1ccccc1 ZINC000297529315 456244754 /nfs/dbraw/zinc/24/47/54/456244754.db2.gz NWDGPNREZLKMJE-PXNSSMCTSA-N 1 3 334.467 3.477 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000297657178 456271900 /nfs/dbraw/zinc/27/19/00/456271900.db2.gz NRHPUDRIWZBWPC-LEWJYISDSA-N 1 3 336.483 3.085 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000340477085 456485115 /nfs/dbraw/zinc/48/51/15/456485115.db2.gz WZHCFHRPOJHHDX-YLJYHZDGSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000340477085 456485118 /nfs/dbraw/zinc/48/51/18/456485118.db2.gz WZHCFHRPOJHHDX-YLJYHZDGSA-N 1 3 341.503 3.221 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[C@@H]21 ZINC000340467737 456477815 /nfs/dbraw/zinc/47/78/15/456477815.db2.gz TXPLVKKMVIQNCL-JYJNAYRXSA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[C@@H]21 ZINC000340467737 456477818 /nfs/dbraw/zinc/47/78/18/456477818.db2.gz TXPLVKKMVIQNCL-JYJNAYRXSA-N 1 3 327.394 3.105 10 0 EGAEHO COC1(C[C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000277015408 456652662 /nfs/dbraw/zinc/65/26/62/456652662.db2.gz CNKHZGYFKJESTD-QGZVFWFLSA-N 1 3 346.515 3.081 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c(O[C@@H]2CCOC2)c1 ZINC000353407927 456682376 /nfs/dbraw/zinc/68/23/76/456682376.db2.gz SWSXFOCCOWAVFY-UAFMIMERSA-N 1 3 344.499 3.125 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@H]21 ZINC000353633654 456817298 /nfs/dbraw/zinc/81/72/98/456817298.db2.gz SZEZYTQYQAZBGK-XYJFISCASA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[C@H]21 ZINC000353633654 456817306 /nfs/dbraw/zinc/81/73/06/456817306.db2.gz SZEZYTQYQAZBGK-XYJFISCASA-N 1 3 342.512 3.210 10 0 EGAEHO CN(C)Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000339050848 456916348 /nfs/dbraw/zinc/91/63/48/456916348.db2.gz YAEDLDLZXZGHEX-UHFFFAOYSA-N 1 3 332.492 3.134 10 0 EGAEHO CN(C)Cc1cccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000339050848 456916353 /nfs/dbraw/zinc/91/63/53/456916353.db2.gz YAEDLDLZXZGHEX-UHFFFAOYSA-N 1 3 332.492 3.134 10 0 EGAEHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358920650 457034963 /nfs/dbraw/zinc/03/49/63/457034963.db2.gz ZFKLMPYZKYYQGO-SFHVURJKSA-N 1 3 326.488 3.427 10 0 EGAEHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352082146 457336935 /nfs/dbraw/zinc/33/69/35/457336935.db2.gz HXYVITCLRRXEFL-JLSDUUJJSA-N 1 3 339.886 3.298 10 0 EGAEHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000352659372 457509645 /nfs/dbraw/zinc/50/96/45/457509645.db2.gz NHCAZLPWQVDJDU-UHFFFAOYSA-N 1 3 330.501 3.369 10 0 EGAEHO CS[C@@H]1CC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000425355850 457515476 /nfs/dbraw/zinc/51/54/76/457515476.db2.gz LRXQWKKFTGAAGX-VQTJNVASSA-N 1 3 347.572 3.381 10 0 EGAEHO CS[C@@H]1CC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000425363958 457520333 /nfs/dbraw/zinc/52/03/33/457520333.db2.gz YAVOLEBIGIDKBX-WOJBJXKFSA-N 1 3 347.572 3.068 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000356304593 457562764 /nfs/dbraw/zinc/56/27/64/457562764.db2.gz JGPTYQQTURTUNB-MOPGFXCFSA-N 1 3 345.531 3.123 10 0 EGAEHO [NH3+]C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCCCC1 ZINC000374439980 457628122 /nfs/dbraw/zinc/62/81/22/457628122.db2.gz WBTNFDVILBFINE-UHFFFAOYSA-N 1 3 343.515 3.067 10 0 EGAEHO CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C1CC1 ZINC000447543918 458307864 /nfs/dbraw/zinc/30/78/64/458307864.db2.gz UBTUVTDLIWIWJC-BURNTYAHSA-N 1 3 327.516 3.112 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423483572 458439383 /nfs/dbraw/zinc/43/93/83/458439383.db2.gz QHCLKYXHVGRKNF-MANSERQUSA-N 1 3 349.469 3.016 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423483572 458439391 /nfs/dbraw/zinc/43/93/91/458439391.db2.gz QHCLKYXHVGRKNF-MANSERQUSA-N 1 3 349.469 3.016 10 0 EGAEHO C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423716730 458475315 /nfs/dbraw/zinc/47/53/15/458475315.db2.gz YAVXJNQKVILFOV-OXJNMPFZSA-N 1 3 337.467 3.053 10 0 EGAEHO CCc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000431556764 458588098 /nfs/dbraw/zinc/58/80/98/458588098.db2.gz MFKIOPAAFROJHQ-VQTJNVASSA-N 1 3 345.531 3.232 10 0 EGAEHO CCc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000431556764 458588101 /nfs/dbraw/zinc/58/81/01/458588101.db2.gz MFKIOPAAFROJHQ-VQTJNVASSA-N 1 3 345.531 3.232 10 0 EGAEHO C[C@H]1CC2(CN1Cc1cnc(-c3ccccn3)s1)CC[NH2+]CC2 ZINC000424379290 458628490 /nfs/dbraw/zinc/62/84/90/458628490.db2.gz OJBBNUWIAWXCDZ-AWEZNQCLSA-N 1 3 328.485 3.169 10 0 EGAEHO Cc1nc2ccc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2s1 ZINC000494188691 458637191 /nfs/dbraw/zinc/63/71/91/458637191.db2.gz LNUKYYBEXFCBJX-ZWKOTPCHSA-N 1 3 345.512 3.072 10 0 EGAEHO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000463069771 458675317 /nfs/dbraw/zinc/67/53/17/458675317.db2.gz BJNJPXKWWMQUCT-UXHICEINSA-N 1 3 343.559 3.404 10 0 EGAEHO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000531946334 459004634 /nfs/dbraw/zinc/00/46/34/459004634.db2.gz YVPZJIXPVWMNNQ-JTSKRJEESA-N 1 3 337.511 3.455 10 0 EGAEHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000556920978 459032912 /nfs/dbraw/zinc/03/29/12/459032912.db2.gz RNXIUZQYFBQDPQ-SESVDKBCSA-N 1 3 329.532 3.361 10 0 EGAEHO COC(=O)c1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)o1 ZINC000594598919 459104808 /nfs/dbraw/zinc/10/48/08/459104808.db2.gz DCXNQUFKTJBLGC-HUUCEWRRSA-N 1 3 336.476 3.222 10 0 EGAEHO COC(=O)c1cc(CNCC2CC[NH+](CCC(C)C)CC2)c(C)o1 ZINC000594609861 459110182 /nfs/dbraw/zinc/11/01/82/459110182.db2.gz UPPHRZQPAUGBEG-UHFFFAOYSA-N 1 3 336.476 3.222 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCC[C@@H]1C ZINC000480624224 459209319 /nfs/dbraw/zinc/20/93/19/459209319.db2.gz JGFMCLQPEAZPRN-SVFBPWRDSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@@H]1CCCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000480620643 459210281 /nfs/dbraw/zinc/21/02/81/459210281.db2.gz VRIJXXJQENJMHO-DYXWJJEUSA-N 1 3 329.532 3.219 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCN1C ZINC000578650974 459237229 /nfs/dbraw/zinc/23/72/29/459237229.db2.gz VHAFCACMMWQJAJ-HOJAQTOUSA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCCCCC1 ZINC000541542892 459465056 /nfs/dbraw/zinc/46/50/56/459465056.db2.gz IAUCXPKCYUAVJN-KRWDZBQOSA-N 1 3 345.531 3.427 10 0 EGAEHO [NH3+]C1(CNC2CCC3(CC2)c2ccccc2NC3=O)CCCCCC1 ZINC000583316330 459518585 /nfs/dbraw/zinc/51/85/85/459518585.db2.gz NRIWTQBKVJKAKR-UHFFFAOYSA-N 1 3 341.499 3.460 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393807 459589699 /nfs/dbraw/zinc/58/96/99/459589699.db2.gz CUGMJMLFRUVUFZ-FLNBYBTLSA-N 1 3 348.556 3.396 10 0 EGAEHO CCO[C@@H]1C[C@@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393807 459589705 /nfs/dbraw/zinc/58/97/05/459589705.db2.gz CUGMJMLFRUVUFZ-FLNBYBTLSA-N 1 3 348.556 3.396 10 0 EGAEHO FC(F)(F)COCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138994 459623048 /nfs/dbraw/zinc/62/30/48/459623048.db2.gz LHSQNWGBXBRGSB-OSYLJGHBSA-N 1 3 342.405 3.351 10 0 EGAEHO FC(F)(F)COCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499138994 459623051 /nfs/dbraw/zinc/62/30/51/459623051.db2.gz LHSQNWGBXBRGSB-OSYLJGHBSA-N 1 3 342.405 3.351 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CCC2 ZINC000599069211 460150764 /nfs/dbraw/zinc/15/07/64/460150764.db2.gz DCJLWHMTIIHNQO-BEFAXECRSA-N 1 3 330.472 3.172 10 0 EGAEHO Cc1cccc([C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)c1 ZINC000625984059 460326803 /nfs/dbraw/zinc/32/68/03/460326803.db2.gz JSLXDGBZCSXZDA-OAQYLSRUSA-N 1 3 345.531 3.271 10 0 EGAEHO CCOC(=O)c1cccc(CNCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000600137221 460400317 /nfs/dbraw/zinc/40/03/17/460400317.db2.gz LGMMTKFOVGIWHY-UHFFFAOYSA-N 1 3 347.503 3.106 10 0 EGAEHO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OC1CC1 ZINC000623432627 460546206 /nfs/dbraw/zinc/54/62/06/460546206.db2.gz BVVOTOLSVLSJCJ-ALOPSCKCSA-N 1 3 330.472 3.341 10 0 EGAEHO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629519258 460792732 /nfs/dbraw/zinc/79/27/32/460792732.db2.gz FINYBSKORQGCMY-FQEVSTJZSA-N 1 3 340.467 3.077 10 0 EGAEHO CCOc1ccc([C@@H](CC)[NH2+]CC2(N)CCOCC2)cc1OCC ZINC000629522349 460794664 /nfs/dbraw/zinc/79/46/64/460794664.db2.gz XWWLJIYTFPSXEN-MRXNPFEDSA-N 1 3 336.476 3.033 10 0 EGAEHO C[NH2+]CCOCCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629529193 460798180 /nfs/dbraw/zinc/79/81/80/460798180.db2.gz UYEGJZFURBKLNW-HNNXBMFYSA-N 1 3 331.485 3.013 10 0 EGAEHO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC000628337743 461093280 /nfs/dbraw/zinc/09/32/80/461093280.db2.gz POFOVVNVYIQPNQ-PGRDOPGGSA-N 1 3 338.495 3.455 10 0 EGAEHO Fc1cccc(Cl)c1C[C@@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252374 461145985 /nfs/dbraw/zinc/14/59/85/461145985.db2.gz NHLQGNULCXHGJO-UONOGXRCSA-N 1 3 338.854 3.007 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cc(F)cc3cccnc32)C1 ZINC000652363037 461157438 /nfs/dbraw/zinc/15/74/38/461157438.db2.gz VZYLBQCLAWGHLC-CEXWTWQISA-N 1 3 343.446 3.235 10 0 EGAEHO Clc1ccccc1[C@H]1CNCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662272786 461160663 /nfs/dbraw/zinc/16/06/63/461160663.db2.gz PUSVZUTXSWUQRD-HXUWFJFHSA-N 1 3 341.886 3.132 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCSc3ccc(F)cc3)CC2)C1 ZINC000662282427 461164995 /nfs/dbraw/zinc/16/49/95/461164995.db2.gz UUCZGFUYQWAQKI-AEFFLSMTSA-N 1 3 338.492 3.136 10 0 EGAEHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293030 461169840 /nfs/dbraw/zinc/16/98/40/461169840.db2.gz IRLKLMFQBYPWLQ-HKUYNNGSSA-N 1 3 343.515 3.342 10 0 EGAEHO NCC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000662307338 461181562 /nfs/dbraw/zinc/18/15/62/461181562.db2.gz KPSPTXXLPAEUBJ-UHFFFAOYSA-N 1 3 335.451 3.105 10 0 EGAEHO NCC12CC(C1)C[N@H+]2CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000662307338 461181567 /nfs/dbraw/zinc/18/15/67/461181567.db2.gz KPSPTXXLPAEUBJ-UHFFFAOYSA-N 1 3 335.451 3.105 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662463794 461253980 /nfs/dbraw/zinc/25/39/80/461253980.db2.gz ICUKFYHYHNCNLU-FQEVSTJZSA-N 1 3 343.515 3.192 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662463794 461253986 /nfs/dbraw/zinc/25/39/86/461253986.db2.gz ICUKFYHYHNCNLU-FQEVSTJZSA-N 1 3 343.515 3.192 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)C1 ZINC000668488704 461302636 /nfs/dbraw/zinc/30/26/36/461302636.db2.gz DVHYSSVHFWCDDC-FQEVSTJZSA-N 1 3 344.886 3.239 10 0 EGAEHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1(NC2CC2)CCC1 ZINC000662681721 461345808 /nfs/dbraw/zinc/34/58/08/461345808.db2.gz CEIZPVVWOGOUBQ-UHFFFAOYSA-N 1 3 327.472 3.286 10 0 EGAEHO COCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000655819253 461475068 /nfs/dbraw/zinc/47/50/68/461475068.db2.gz XSTNXUIGRCBTPW-HSALFYBXSA-N 1 3 328.500 3.303 10 0 EGAEHO Cc1cccn2c(C[NH2+]C[C@@H]3CN(C)C[C@H]3c3ccccc3)cnc12 ZINC000647248751 461588320 /nfs/dbraw/zinc/58/83/20/461588320.db2.gz AAEBVYAUPSRADU-QUCCMNQESA-N 1 3 334.467 3.078 10 0 EGAEHO COC[C@@H](Cc1ccccc1)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344600 461646914 /nfs/dbraw/zinc/64/69/14/461646914.db2.gz VGNTYPVUSAYZMV-VSKRKVRLSA-N 1 3 338.495 3.179 10 0 EGAEHO COC[C@@H](Cc1ccccc1)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344600 461646922 /nfs/dbraw/zinc/64/69/22/461646922.db2.gz VGNTYPVUSAYZMV-VSKRKVRLSA-N 1 3 338.495 3.179 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489624 461745138 /nfs/dbraw/zinc/74/51/38/461745138.db2.gz HPVONWVZQJACNY-LXGCGDOSSA-N 1 3 325.456 3.420 10 0 EGAEHO COc1ccc(OC)c(CN(CCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000647875883 461866846 /nfs/dbraw/zinc/86/68/46/461866846.db2.gz LRHNDKHSFBJYAY-UHFFFAOYSA-N 1 3 332.488 3.448 10 0 EGAEHO CCO[C@@H]1CN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000650714044 461906334 /nfs/dbraw/zinc/90/63/34/461906334.db2.gz OQRLBCGRYMFXOO-JGGQBBKZSA-N 1 3 330.394 3.105 10 0 EGAEHO COCC[N@H+](C)CCCNCc1ccc(-c2scnc2C)cc1 ZINC000657307536 462032806 /nfs/dbraw/zinc/03/28/06/462032806.db2.gz FVSIGVFADPAYHV-UHFFFAOYSA-N 1 3 333.501 3.176 10 0 EGAEHO COCC[N@@H+](C)CCCNCc1ccc(-c2scnc2C)cc1 ZINC000657307536 462032810 /nfs/dbraw/zinc/03/28/10/462032810.db2.gz FVSIGVFADPAYHV-UHFFFAOYSA-N 1 3 333.501 3.176 10 0 EGAEHO C[NH+](C)CC1CCC(NCc2c(F)cncc2Br)CC1 ZINC000657414695 462107245 /nfs/dbraw/zinc/10/72/45/462107245.db2.gz UOOJXNPPGVSKQO-UHFFFAOYSA-N 1 3 344.272 3.193 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CO1 ZINC000657432625 462119012 /nfs/dbraw/zinc/11/90/12/462119012.db2.gz ULYALDYMJDUPKS-FDKIHUSFSA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657432625 462119020 /nfs/dbraw/zinc/11/90/20/462119020.db2.gz ULYALDYMJDUPKS-FDKIHUSFSA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657432625 462119026 /nfs/dbraw/zinc/11/90/26/462119026.db2.gz ULYALDYMJDUPKS-FDKIHUSFSA-N 1 3 328.500 3.444 10 0 EGAEHO CN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000651198352 462132368 /nfs/dbraw/zinc/13/23/68/462132368.db2.gz BXDLNKCDRUIKPL-BURNTYAHSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(-c2ccccc2)s1 ZINC000657573373 462187352 /nfs/dbraw/zinc/18/73/52/462187352.db2.gz KOQWARFVNXOGET-INIZCTEOSA-N 1 3 346.544 3.172 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657595318 462197407 /nfs/dbraw/zinc/19/74/07/462197407.db2.gz OQYHNGNBZCVMDW-LJQANCHMSA-N 1 3 342.508 3.265 10 0 EGAEHO CSc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657595318 462197411 /nfs/dbraw/zinc/19/74/11/462197411.db2.gz OQYHNGNBZCVMDW-LJQANCHMSA-N 1 3 342.508 3.265 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2cnccc2o1 ZINC000657919963 462318982 /nfs/dbraw/zinc/31/89/82/462318982.db2.gz SKGDMMGWDBQBLY-OAGGEKHMSA-N 1 3 331.460 3.368 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665133985 462321820 /nfs/dbraw/zinc/32/18/20/462321820.db2.gz FYFFQYPWWHLYDZ-ZDUSSCGKSA-N 1 3 340.899 3.042 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665133985 462321824 /nfs/dbraw/zinc/32/18/24/462321824.db2.gz FYFFQYPWWHLYDZ-ZDUSSCGKSA-N 1 3 340.899 3.042 10 0 EGAEHO Cc1ccncc1CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000658127750 462396052 /nfs/dbraw/zinc/39/60/52/462396052.db2.gz VSQPAQMEDLCNLL-QGZVFWFLSA-N 1 3 327.472 3.224 10 0 EGAEHO CN1CCN(CCCC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139283 462447431 /nfs/dbraw/zinc/44/74/31/462447431.db2.gz GOCGRNLRNHFHPY-NRFANRHFSA-N 1 3 344.547 3.320 10 0 EGAEHO CCCCC[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662155278 462532266 /nfs/dbraw/zinc/53/22/66/462532266.db2.gz LKQZZSNQQIFJRL-IBGZPJMESA-N 1 3 337.552 3.410 10 0 EGAEHO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CCCCN1C ZINC000675499039 548930164 /nfs/dbraw/zinc/93/01/64/548930164.db2.gz JXNANDMPIOHHBG-FPOVZHCZSA-N 1 3 329.532 3.457 10 0 EGAEHO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CC[C@@H]1CCCCN1C ZINC000675499039 548930167 /nfs/dbraw/zinc/93/01/67/548930167.db2.gz JXNANDMPIOHHBG-FPOVZHCZSA-N 1 3 329.532 3.457 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409241 550326413 /nfs/dbraw/zinc/32/64/13/550326413.db2.gz LRXYGJMZJLOPQL-RTWAWAEBSA-N 1 3 335.495 3.377 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409241 550326416 /nfs/dbraw/zinc/32/64/16/550326416.db2.gz LRXYGJMZJLOPQL-RTWAWAEBSA-N 1 3 335.495 3.377 10 0 EGAEHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000216630898 1296120800 /nfs/dbraw/zinc/12/08/00/1296120800.db2.gz HGFCDEWVYMGZFN-YSIASYRMSA-N 1 3 343.515 3.060 10 0 EGAEHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000216630898 1296120805 /nfs/dbraw/zinc/12/08/05/1296120805.db2.gz HGFCDEWVYMGZFN-YSIASYRMSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000300529258 1296784058 /nfs/dbraw/zinc/78/40/58/1296784058.db2.gz MUNBEGOVTVEYGX-VNHYZAJKSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000300529258 1296784068 /nfs/dbraw/zinc/78/40/68/1296784068.db2.gz MUNBEGOVTVEYGX-VNHYZAJKSA-N 1 3 325.294 3.297 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000300529258 1296784078 /nfs/dbraw/zinc/78/40/78/1296784078.db2.gz MUNBEGOVTVEYGX-VNHYZAJKSA-N 1 3 325.294 3.297 10 0 EGAEHO COc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1N ZINC000380927946 1297546928 /nfs/dbraw/zinc/54/69/28/1297546928.db2.gz GILGTQBQOROTHU-UHFFFAOYSA-N 1 3 339.483 3.374 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550654 1298280369 /nfs/dbraw/zinc/28/03/69/1298280369.db2.gz CIUUUOITUJHYHX-LTIDMASMSA-N 1 3 339.524 3.237 10 0 EGAEHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550654 1298280374 /nfs/dbraw/zinc/28/03/74/1298280374.db2.gz CIUUUOITUJHYHX-LTIDMASMSA-N 1 3 339.524 3.237 10 0 EGAEHO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534450 1303490347 /nfs/dbraw/zinc/49/03/47/1303490347.db2.gz IYXWOSNHLLLMEA-PPQDBTBKSA-N 1 3 330.516 3.426 10 0 EGAEHO CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886534453 1303490505 /nfs/dbraw/zinc/49/05/05/1303490505.db2.gz IYXWOSNHLLLMEA-VLQCVTHLSA-N 1 3 330.516 3.426 10 0 EGAEHO O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886620958 1303527789 /nfs/dbraw/zinc/52/77/89/1303527789.db2.gz XLNFYXTXOZKKIY-SSTJLMRISA-N 1 3 328.500 3.180 10 0 EGAEHO CC(C)(C)N1CCC([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709201 1303573674 /nfs/dbraw/zinc/57/36/74/1303573674.db2.gz MKPTVTRMQANFLI-GOSISDBHSA-N 1 3 338.536 3.205 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC1(C)C ZINC000858105673 1328683375 /nfs/dbraw/zinc/68/33/75/1328683375.db2.gz MAOYMIZJDISPJK-QGZVFWFLSA-N 1 3 329.488 3.166 10 0 EGAEHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cnc1Br ZINC000929783384 1328700272 /nfs/dbraw/zinc/70/02/72/1328700272.db2.gz QFXWCARXKWSLRF-JSGCOSHPSA-N 1 3 326.282 3.067 10 0 EGAEHO Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cnc1Br ZINC000929783384 1328700275 /nfs/dbraw/zinc/70/02/75/1328700275.db2.gz QFXWCARXKWSLRF-JSGCOSHPSA-N 1 3 326.282 3.067 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)C2)cc1 ZINC000921670520 1322375778 /nfs/dbraw/zinc/37/57/78/1322375778.db2.gz GNIWDMIWBBSLND-CIAFKFPVSA-N 1 3 342.527 3.346 10 0 EGAEHO CCOC(=O)c1oc2ccccc2c1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499013 1322763089 /nfs/dbraw/zinc/76/30/89/1322763089.db2.gz PYUOSTJWVNZRIB-UONOGXRCSA-N 1 3 330.428 3.026 10 0 EGAEHO CC1=C(C)C[C@](C)(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000931216071 1329072803 /nfs/dbraw/zinc/07/28/03/1329072803.db2.gz BOGDEDWTVUKDPK-OAQYLSRUSA-N 1 3 347.547 3.188 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000924939762 1323221805 /nfs/dbraw/zinc/22/18/05/1323221805.db2.gz XGDBRLHUQXLERM-FCEUIQTBSA-N 1 3 342.527 3.346 10 0 EGAEHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481981 1325169579 /nfs/dbraw/zinc/16/95/79/1325169579.db2.gz PKIICUNHKATGMF-BPUTZDHNSA-N 1 3 331.460 3.200 10 0 EGAEHO COc1ccc(OC)c(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925504684 1325182120 /nfs/dbraw/zinc/18/21/20/1325182120.db2.gz LRWCPMNCCUGGSN-MOPGFXCFSA-N 1 3 332.488 3.004 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925511176 1325184166 /nfs/dbraw/zinc/18/41/66/1325184166.db2.gz HWZDGWMQKAPRRA-ROUUACIJSA-N 1 3 326.488 3.184 10 0 EGAEHO CC(C)(CO)[C@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)c1ccccc1 ZINC000925607431 1325230183 /nfs/dbraw/zinc/23/01/83/1325230183.db2.gz PUYIIAJECLLXPP-YRXWBPOGSA-N 1 3 330.516 3.155 10 0 EGAEHO CC(C)(CO)[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607431 1325230191 /nfs/dbraw/zinc/23/01/91/1325230191.db2.gz PUYIIAJECLLXPP-YRXWBPOGSA-N 1 3 330.516 3.155 10 0 EGAEHO OC[C@]1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C[C@@H]1c1ccc(F)cc1 ZINC000925651295 1325247748 /nfs/dbraw/zinc/24/77/48/1325247748.db2.gz ABSPPFRLVHKNJV-DOIPELPJSA-N 1 3 346.490 3.050 10 0 EGAEHO OC[C@]1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C[C@@H]1c1ccc(F)cc1 ZINC000925651295 1325247756 /nfs/dbraw/zinc/24/77/56/1325247756.db2.gz ABSPPFRLVHKNJV-DOIPELPJSA-N 1 3 346.490 3.050 10 0 EGAEHO C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925659535 1325253838 /nfs/dbraw/zinc/25/38/38/1325253838.db2.gz WAHJYWNJGOJTKO-UPZYVNNASA-N 1 3 344.543 3.374 10 0 EGAEHO [NH3+]CCC[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccccc1 ZINC000925723318 1325271226 /nfs/dbraw/zinc/27/12/26/1325271226.db2.gz PJIBMDXNGNYBLQ-GJZGRUSLSA-N 1 3 326.366 3.056 10 0 EGAEHO COCCC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925775310 1325295714 /nfs/dbraw/zinc/29/57/14/1325295714.db2.gz FNNPWZFGWFHHKU-GDBMZVCRSA-N 1 3 330.394 3.128 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000925784468 1325300301 /nfs/dbraw/zinc/30/03/01/1325300301.db2.gz RZWDWMQIAWGGTK-DOTOQJQBSA-N 1 3 336.426 3.223 10 0 EGAEHO CC(C)[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000925787048 1325301759 /nfs/dbraw/zinc/30/17/59/1325301759.db2.gz YTXIAQOTUAAULF-SWLSCSKDSA-N 1 3 339.386 3.065 10 0 EGAEHO CC(C)[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000925787049 1325303031 /nfs/dbraw/zinc/30/30/31/1325303031.db2.gz YTXIAQOTUAAULF-WFASDCNBSA-N 1 3 339.386 3.065 10 0 EGAEHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(F)c1 ZINC000925807582 1325310371 /nfs/dbraw/zinc/31/03/71/1325310371.db2.gz FOPCBIRNUFHISO-INIZCTEOSA-N 1 3 327.447 3.082 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926686126 1327666131 /nfs/dbraw/zinc/66/61/31/1327666131.db2.gz NAFKNWMIZRXXLU-IRXDYDNUSA-N 1 3 344.503 3.264 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@@H](C3CC3)C3CCOCC3)CC2)ccn1 ZINC000926691428 1327668701 /nfs/dbraw/zinc/66/87/01/1327668701.db2.gz BFSFUHOPMJONLQ-NRFANRHFSA-N 1 3 343.515 3.088 10 0 EGAEHO COc1ccc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)cc1CN1CCCCC1 ZINC000863548477 1329562337 /nfs/dbraw/zinc/56/23/37/1329562337.db2.gz XQNXHFHXQOVGIA-ZWOKBUDYSA-N 1 3 345.531 3.472 10 0 EGAEHO COc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)cc1CN1CCCCC1 ZINC000863546209 1329562524 /nfs/dbraw/zinc/56/25/24/1329562524.db2.gz GCCWEGOLALSYQN-JTDSTZFVSA-N 1 3 331.504 3.082 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866230922 1330081420 /nfs/dbraw/zinc/08/14/20/1330081420.db2.gz IJDBJRQKDPDPKX-OXQOHEQNSA-N 1 3 333.495 3.066 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001323083251 1387285458 /nfs/dbraw/zinc/28/54/58/1387285458.db2.gz YJTJLMAVTUZJCQ-XLIONFOSSA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)C ZINC001323161866 1387305101 /nfs/dbraw/zinc/30/51/01/1387305101.db2.gz QBYDQOSTOYNTKN-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001323509066 1387379026 /nfs/dbraw/zinc/37/90/26/1387379026.db2.gz RAIPIBVMFPOLEW-MSOLQXFVSA-N 1 3 349.563 3.316 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1)CC(C)(C)C ZINC001324224536 1387561693 /nfs/dbraw/zinc/56/16/93/1387561693.db2.gz CETBIKBKEXVKDV-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001324285413 1387581761 /nfs/dbraw/zinc/58/17/61/1387581761.db2.gz HYRPRNJYNJSTCQ-HXUWFJFHSA-N 1 3 345.531 3.060 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001324335090 1387596404 /nfs/dbraw/zinc/59/64/04/1387596404.db2.gz PBUMIZBJNXOQAT-XBMUEBEBSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001325943257 1388093139 /nfs/dbraw/zinc/09/31/39/1388093139.db2.gz UENJZCCIKGCTLR-SLFFLAALSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001325943257 1388093144 /nfs/dbraw/zinc/09/31/44/1388093144.db2.gz UENJZCCIKGCTLR-SLFFLAALSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC001326470234 1388206088 /nfs/dbraw/zinc/20/60/88/1388206088.db2.gz ZGHSJOACRFDFKX-YLJYHZDGSA-N 1 3 345.531 3.484 10 0 EGAEHO CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001326604918 1388256511 /nfs/dbraw/zinc/25/65/11/1388256511.db2.gz YDXCKFZNMDTIEU-LJQANCHMSA-N 1 3 349.563 3.366 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001327164799 1388418427 /nfs/dbraw/zinc/41/84/27/1388418427.db2.gz WLYRGDBZSCCZEA-WOJBJXKFSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001327164799 1388418432 /nfs/dbraw/zinc/41/84/32/1388418432.db2.gz WLYRGDBZSCCZEA-WOJBJXKFSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119871 1377196235 /nfs/dbraw/zinc/19/62/35/1377196235.db2.gz OGUHNYOISOFBAH-UXHICEINSA-N 1 3 345.531 3.401 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001266119871 1377196236 /nfs/dbraw/zinc/19/62/36/1377196236.db2.gz OGUHNYOISOFBAH-UXHICEINSA-N 1 3 345.531 3.401 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001266842675 1377391404 /nfs/dbraw/zinc/39/14/04/1377391404.db2.gz SDXHRFBMXVKUCL-ASIGSXEYSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001266842675 1377391408 /nfs/dbraw/zinc/39/14/08/1377391408.db2.gz SDXHRFBMXVKUCL-ASIGSXEYSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693655 1377564549 /nfs/dbraw/zinc/56/45/49/1377564549.db2.gz XQNUGSYEBOOTSH-DPZZJQGRSA-N 1 3 344.503 3.013 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693655 1377564552 /nfs/dbraw/zinc/56/45/52/1377564552.db2.gz XQNUGSYEBOOTSH-DPZZJQGRSA-N 1 3 344.503 3.013 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001269790320 1377571712 /nfs/dbraw/zinc/57/17/12/1377571712.db2.gz FOWWZYZWGDEJIE-ICSRJNTNSA-N 1 3 345.531 3.054 10 0 EGAEHO CCC1([NH2+]CCCC2CCC2)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001327474975 1388529662 /nfs/dbraw/zinc/52/96/62/1388529662.db2.gz RNWXCBSTGMXDCS-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001272781578 1378081186 /nfs/dbraw/zinc/08/11/86/1378081186.db2.gz IANJTRPLQBVCKR-SFHVURJKSA-N 1 3 345.531 3.244 10 0 EGAEHO C[C@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001276634337 1378182255 /nfs/dbraw/zinc/18/22/55/1378182255.db2.gz SMNQADDZIIAYFU-QFBILLFUSA-N 1 3 343.515 3.106 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478799 1378510751 /nfs/dbraw/zinc/51/07/51/1378510751.db2.gz UKDUHMHJBLSRFU-PBHICJAKSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478799 1378510757 /nfs/dbraw/zinc/51/07/57/1378510757.db2.gz UKDUHMHJBLSRFU-PBHICJAKSA-N 1 3 347.528 3.178 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541960 1388556744 /nfs/dbraw/zinc/55/67/44/1388556744.db2.gz SKBBLQMOGVLZBN-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541960 1388556748 /nfs/dbraw/zinc/55/67/48/1388556748.db2.gz SKBBLQMOGVLZBN-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CCC2=CCCCC2)C2CC2)CCC1 ZINC001283508227 1378993282 /nfs/dbraw/zinc/99/32/82/1378993282.db2.gz FSMCRBKMWMNFQF-LJQANCHMSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCCN1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001327696440 1388586405 /nfs/dbraw/zinc/58/64/05/1388586405.db2.gz SPZFCYXIIDLHTR-IAGOWNOFSA-N 1 3 343.515 3.291 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001284193950 1379587034 /nfs/dbraw/zinc/58/70/34/1379587034.db2.gz HSYIHHUZDFSREO-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC001284629971 1380033589 /nfs/dbraw/zinc/03/35/89/1380033589.db2.gz BVVAOVHORAHIMB-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1)N(C)C ZINC001284701897 1380116889 /nfs/dbraw/zinc/11/68/89/1380116889.db2.gz GQAXPGUUZXCLGN-XLIONFOSSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCC3(CC3)CC2)CC1)N(C)C ZINC001284929004 1380318195 /nfs/dbraw/zinc/31/81/95/1380318195.db2.gz HWVBLQKOHVWQQG-LJQANCHMSA-N 1 3 347.547 3.045 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CC2CCC3(CC3)CC2)CC1)N(C)C ZINC001284929004 1380318197 /nfs/dbraw/zinc/31/81/97/1380318197.db2.gz HWVBLQKOHVWQQG-LJQANCHMSA-N 1 3 347.547 3.045 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001328288341 1388717128 /nfs/dbraw/zinc/71/71/28/1388717128.db2.gz ZJUMFABUEHMENS-APWZRJJASA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698610923 1406240435 /nfs/dbraw/zinc/24/04/35/1406240435.db2.gz XZZOKRDYTFKGKH-HKUYNNGSSA-N 1 3 345.531 3.415 10 0 EGAEHO CC(C)C[N@H+](C)CCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001300262657 1383656687 /nfs/dbraw/zinc/65/66/87/1383656687.db2.gz FMKFHJULXLLJLE-UHFFFAOYSA-N 1 3 345.531 3.380 10 0 EGAEHO CC(C)C[N@@H+](C)CCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001300262657 1383656691 /nfs/dbraw/zinc/65/66/91/1383656691.db2.gz FMKFHJULXLLJLE-UHFFFAOYSA-N 1 3 345.531 3.380 10 0 EGAEHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001316904760 1384684182 /nfs/dbraw/zinc/68/41/82/1384684182.db2.gz YZNXMGFHEPYSSU-IEBWSBKVSA-N 1 3 345.531 3.226 10 0 EGAEHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001316904760 1384684184 /nfs/dbraw/zinc/68/41/84/1384684184.db2.gz YZNXMGFHEPYSSU-IEBWSBKVSA-N 1 3 345.531 3.226 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014362 1384778608 /nfs/dbraw/zinc/77/86/08/1384778608.db2.gz ULRODCNWTWYPTN-MSOLQXFVSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014262 1384779027 /nfs/dbraw/zinc/77/90/27/1384779027.db2.gz SQCPHCIVGPETAJ-PMACEKPBSA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041525 1384815458 /nfs/dbraw/zinc/81/54/58/1384815458.db2.gz CMSZJCABLRUVCH-JCMVTEASSA-N 1 3 337.552 3.099 10 0 EGAEHO CC/C=C\CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001317041525 1384815462 /nfs/dbraw/zinc/81/54/62/1384815462.db2.gz CMSZJCABLRUVCH-JCMVTEASSA-N 1 3 337.552 3.099 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317141116 1384908974 /nfs/dbraw/zinc/90/89/74/1384908974.db2.gz XGHLKDDWXCQAHQ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001317141116 1384908975 /nfs/dbraw/zinc/90/89/75/1384908975.db2.gz XGHLKDDWXCQAHQ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175777 1384947555 /nfs/dbraw/zinc/94/75/55/1384947555.db2.gz GNHKXOOISFFGDZ-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1)N1CCCCCC1 ZINC001317175777 1384947559 /nfs/dbraw/zinc/94/75/59/1384947559.db2.gz GNHKXOOISFFGDZ-MJGOQNOKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001317350191 1385099779 /nfs/dbraw/zinc/09/97/79/1385099779.db2.gz KCJUAMBXKHDUPT-QZTJIDSGSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccc1C)N(C)C ZINC001317433424 1385137030 /nfs/dbraw/zinc/13/70/30/1385137030.db2.gz DSSFJZABZZEOPO-UXHICEINSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccccc1C)N(C)C ZINC001317433424 1385137034 /nfs/dbraw/zinc/13/70/34/1385137034.db2.gz DSSFJZABZZEOPO-UXHICEINSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505326 1385211661 /nfs/dbraw/zinc/21/16/61/1385211661.db2.gz KSYSQYFACPXGMH-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505326 1385211664 /nfs/dbraw/zinc/21/16/64/1385211664.db2.gz KSYSQYFACPXGMH-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512874 1385224753 /nfs/dbraw/zinc/22/47/53/1385224753.db2.gz QCLKFCKXZFZQEK-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO OC1(C[NH+]2CCCCC2)CCN(CCc2ccc(Cl)cc2)CC1 ZINC001176879684 1385729248 /nfs/dbraw/zinc/72/92/48/1385729248.db2.gz NEBHKORAILIBMY-UHFFFAOYSA-N 1 3 336.907 3.195 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001319809419 1386307631 /nfs/dbraw/zinc/30/76/31/1386307631.db2.gz NHJMWNGPXDPFOX-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001319868263 1386346659 /nfs/dbraw/zinc/34/66/59/1386346659.db2.gz KCMBVOVQGNBVKF-HKUYNNGSSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919112 1386391022 /nfs/dbraw/zinc/39/10/22/1386391022.db2.gz SGNMKBMHQSNKRY-WOJBJXKFSA-N 1 3 345.531 3.100 10 0 EGAEHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001320901912 1386752931 /nfs/dbraw/zinc/75/29/31/1386752931.db2.gz QXRYQTMLYYXRGD-IBGZPJMESA-N 1 3 347.547 3.262 10 0 EGAEHO CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC001321188268 1386835247 /nfs/dbraw/zinc/83/52/47/1386835247.db2.gz GXQORXOBGBYYBK-IFOCYFHOSA-N 1 3 349.906 3.147 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001329998687 1389282486 /nfs/dbraw/zinc/28/24/86/1389282486.db2.gz UWLVNBVROFIDCV-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001331920638 1389911486 /nfs/dbraw/zinc/91/14/86/1389911486.db2.gz ZSBULAULDLQIBI-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412081 1390109081 /nfs/dbraw/zinc/10/90/81/1390109081.db2.gz ASVCTEXNTRUPLQ-CRAIPNDOSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC[NH+]1CCC([C@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001332997789 1390233539 /nfs/dbraw/zinc/23/35/39/1390233539.db2.gz LEMMDVDTJFGPCB-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](CN[C@H](C)c1ccccc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698834622 1406529558 /nfs/dbraw/zinc/52/95/58/1406529558.db2.gz FHZKKGQCRVOFJR-HZPDHXFCSA-N 1 3 349.494 3.198 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001479461769 1392248491 /nfs/dbraw/zinc/24/84/91/1392248491.db2.gz XJPSTTPYMSLONN-DFQSSKMNSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001479747988 1392365712 /nfs/dbraw/zinc/36/57/12/1392365712.db2.gz KNCBYGGFQFUMSV-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001479747988 1392365715 /nfs/dbraw/zinc/36/57/15/1392365715.db2.gz KNCBYGGFQFUMSV-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1ccccc1F ZINC001479845332 1392428109 /nfs/dbraw/zinc/42/81/09/1392428109.db2.gz RESUKWOLASBKBN-MRXNPFEDSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1ccccc1F ZINC001479845332 1392428113 /nfs/dbraw/zinc/42/81/13/1392428113.db2.gz RESUKWOLASBKBN-MRXNPFEDSA-N 1 3 349.494 3.199 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001479985666 1392518243 /nfs/dbraw/zinc/51/82/43/1392518243.db2.gz TXBZLPFJTVLEOP-WYNBNGFRSA-N 1 3 347.547 3.045 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001480066608 1392558800 /nfs/dbraw/zinc/55/88/00/1392558800.db2.gz PTRXIHZDCYUXIV-PXNSSMCTSA-N 1 3 345.531 3.189 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480084903 1392574842 /nfs/dbraw/zinc/57/48/42/1392574842.db2.gz PASPMMGYSHDBRD-SFHVURJKSA-N 1 3 339.568 3.181 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480084903 1392574844 /nfs/dbraw/zinc/57/48/44/1392574844.db2.gz PASPMMGYSHDBRD-SFHVURJKSA-N 1 3 339.568 3.181 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480697899 1392861571 /nfs/dbraw/zinc/86/15/71/1392861571.db2.gz JAGAYOFJQXVOJZ-VGRIIWOTSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001698900605 1406633393 /nfs/dbraw/zinc/63/33/93/1406633393.db2.gz JEWGMONYCHAMIC-PKOBYXMFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)N(CC)CC ZINC001481383420 1394222192 /nfs/dbraw/zinc/22/21/92/1394222192.db2.gz DOYVFDCSQCCRGQ-FGTMMUONSA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)N(CC)CC ZINC001481383420 1394222196 /nfs/dbraw/zinc/22/21/96/1394222196.db2.gz DOYVFDCSQCCRGQ-FGTMMUONSA-N 1 3 337.552 3.218 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001490766149 1394327799 /nfs/dbraw/zinc/32/77/99/1394327799.db2.gz KTLJPUVTKIBQFT-QGZVFWFLSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001490766149 1394327806 /nfs/dbraw/zinc/32/78/06/1394327806.db2.gz KTLJPUVTKIBQFT-QGZVFWFLSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481509345 1394357327 /nfs/dbraw/zinc/35/73/27/1394357327.db2.gz OQOGJDVRZNLEFU-IBGZPJMESA-N 1 3 345.531 3.188 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481509345 1394357330 /nfs/dbraw/zinc/35/73/30/1394357330.db2.gz OQOGJDVRZNLEFU-IBGZPJMESA-N 1 3 345.531 3.188 10 0 EGAEHO CCC/C=C/CCN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709911 1394468702 /nfs/dbraw/zinc/46/87/02/1394468702.db2.gz XMZZIQCQZPBNLP-KAGICYHLSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N1CCCC1 ZINC001481709827 1394469070 /nfs/dbraw/zinc/46/90/70/1394469070.db2.gz SMYWHWPAHMXCSB-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N1CCCC1 ZINC001481709827 1394469074 /nfs/dbraw/zinc/46/90/74/1394469074.db2.gz SMYWHWPAHMXCSB-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001491206583 1394471238 /nfs/dbraw/zinc/47/12/38/1394471238.db2.gz OYJQMBJCTDYPQA-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001491206583 1394471240 /nfs/dbraw/zinc/47/12/40/1394471240.db2.gz OYJQMBJCTDYPQA-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481882483 1394576012 /nfs/dbraw/zinc/57/60/12/1394576012.db2.gz RRFYWBHCNSDFCY-KRWDZBQOSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481964094 1394625919 /nfs/dbraw/zinc/62/59/19/1394625919.db2.gz OGISXPBJOXRSTG-RXVVDRJESA-N 1 3 349.563 3.482 10 0 EGAEHO CCCC[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001482456751 1395015060 /nfs/dbraw/zinc/01/50/60/1395015060.db2.gz PSUMADMVLKYHPQ-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001482456744 1395015230 /nfs/dbraw/zinc/01/52/30/1395015230.db2.gz PSUMADMVLKYHPQ-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1)N(C)C ZINC001483970813 1395169470 /nfs/dbraw/zinc/16/94/70/1395169470.db2.gz KVBHKHIUCMLNSM-SFHVURJKSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170187 1395309739 /nfs/dbraw/zinc/30/97/39/1395309739.db2.gz LINNHLWRRHWEAR-GHTZIAJQSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1)N1CCCCCC1 ZINC001484170187 1395309743 /nfs/dbraw/zinc/30/97/43/1395309743.db2.gz LINNHLWRRHWEAR-GHTZIAJQSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001484390450 1395358905 /nfs/dbraw/zinc/35/89/05/1395358905.db2.gz DHUKJXVFQQUOGG-HAGHYFMRSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001484390450 1395358912 /nfs/dbraw/zinc/35/89/12/1395358912.db2.gz DHUKJXVFQQUOGG-HAGHYFMRSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001484768838 1395525369 /nfs/dbraw/zinc/52/53/69/1395525369.db2.gz IDIWZMVWEMKXQS-INIZCTEOSA-N 1 3 337.483 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001484768838 1395525371 /nfs/dbraw/zinc/52/53/71/1395525371.db2.gz IDIWZMVWEMKXQS-INIZCTEOSA-N 1 3 337.483 3.007 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1 ZINC001485780071 1396150041 /nfs/dbraw/zinc/15/00/41/1396150041.db2.gz RFNZIDMCAGJVSO-UXHICEINSA-N 1 3 345.531 3.497 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247119 1396188917 /nfs/dbraw/zinc/18/89/17/1396188917.db2.gz YMKLSOZWFHNOKS-IEBWSBKVSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001486249709 1396189409 /nfs/dbraw/zinc/18/94/09/1396189409.db2.gz JZXHTRDDACXAQH-PKOBYXMFSA-N 1 3 345.531 3.223 10 0 EGAEHO C[C@@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082764 1396598370 /nfs/dbraw/zinc/59/83/70/1396598370.db2.gz UCNMRZWWAMPWTO-RORWEDLISA-N 1 3 343.515 3.011 10 0 EGAEHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1)C1CCC1 ZINC001496401981 1396689456 /nfs/dbraw/zinc/68/94/56/1396689456.db2.gz XDVHAMYEPJSUNA-LJQANCHMSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001689267072 1396998534 /nfs/dbraw/zinc/99/85/34/1396998534.db2.gz DENPQKFKDDQVGZ-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CCC1CCCC1 ZINC001689802496 1404143314 /nfs/dbraw/zinc/14/33/14/1404143314.db2.gz WOXPEUBIVHFHQV-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)CCC1CCCC1 ZINC001689802496 1404143316 /nfs/dbraw/zinc/14/33/16/1404143316.db2.gz WOXPEUBIVHFHQV-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CCC(C)(C)C ZINC001689859650 1404174045 /nfs/dbraw/zinc/17/40/45/1404174045.db2.gz WGCKRDNXYGCWOO-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CCC(C)(C)C ZINC001689859650 1404174048 /nfs/dbraw/zinc/17/40/48/1404174048.db2.gz WGCKRDNXYGCWOO-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@H+](C)CC2CCCCC2)c1 ZINC001689891066 1404187630 /nfs/dbraw/zinc/18/76/30/1404187630.db2.gz ONFZVKWILGPYTE-UHFFFAOYSA-N 1 3 345.531 3.380 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@@H+](C)CC2CCCCC2)c1 ZINC001689891066 1404187631 /nfs/dbraw/zinc/18/76/31/1404187631.db2.gz ONFZVKWILGPYTE-UHFFFAOYSA-N 1 3 345.531 3.380 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)CC1CCCCC1 ZINC001689970582 1404235159 /nfs/dbraw/zinc/23/51/59/1404235159.db2.gz UTILXMKZDPIVGK-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)CC1CCCCC1 ZINC001689970582 1404235162 /nfs/dbraw/zinc/23/51/62/1404235162.db2.gz UTILXMKZDPIVGK-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001690427891 1404554194 /nfs/dbraw/zinc/55/41/94/1404554194.db2.gz XTXYBPQGTVCWGV-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(CC)CC)CC1 ZINC001690534286 1404624630 /nfs/dbraw/zinc/62/46/30/1404624630.db2.gz POIATDITDFXRIO-ACBHZAAOSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001725412893 1426057441 /nfs/dbraw/zinc/05/74/41/1426057441.db2.gz LNEAXWNFLIQJJI-CVEARBPZSA-N 1 3 342.487 3.205 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163047 1405098159 /nfs/dbraw/zinc/09/81/59/1405098159.db2.gz NEJYLQIXTVTQTO-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163047 1405098161 /nfs/dbraw/zinc/09/81/61/1405098161.db2.gz NEJYLQIXTVTQTO-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001691254887 1405182810 /nfs/dbraw/zinc/18/28/10/1405182810.db2.gz GXPDUNJTBBUAPH-CEXWTWQISA-N 1 3 335.536 3.092 10 0 EGAEHO CC/C=C/CCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392427 1405230112 /nfs/dbraw/zinc/23/01/12/1405230112.db2.gz QIEHUMOWBZAYPZ-GHOSXJJBSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC001691630556 1405367667 /nfs/dbraw/zinc/36/76/67/1405367667.db2.gz VKBBBNYADOURSH-OTWHNJEPSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001691636926 1405372460 /nfs/dbraw/zinc/37/24/60/1405372460.db2.gz PHSLRDQDADGFAD-QUCCMNQESA-N 1 3 345.531 3.449 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001691689676 1405423786 /nfs/dbraw/zinc/42/37/86/1405423786.db2.gz JNIJIAFZVDIKMD-CQQBRXBZSA-N 1 3 347.547 3.140 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697183 1405429872 /nfs/dbraw/zinc/42/98/72/1405429872.db2.gz UGNXSPAMRCXLOE-QRTFGMIHSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697183 1405429873 /nfs/dbraw/zinc/42/98/73/1405429873.db2.gz UGNXSPAMRCXLOE-QRTFGMIHSA-N 1 3 335.536 3.042 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001691733397 1405456112 /nfs/dbraw/zinc/45/61/12/1405456112.db2.gz PNRLNUFAVYRXCH-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691819829 1405536249 /nfs/dbraw/zinc/53/62/49/1405536249.db2.gz YNCYFSOXCPAIMT-QZTJIDSGSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691819829 1405536252 /nfs/dbraw/zinc/53/62/52/1405536252.db2.gz YNCYFSOXCPAIMT-QZTJIDSGSA-N 1 3 339.568 3.226 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C/C=C\Cl)CC(C)(C)C1 ZINC001691823373 1405539333 /nfs/dbraw/zinc/53/93/33/1405539333.db2.gz NKXFYSCOOANRPB-BSDKJSHOSA-N 1 3 343.943 3.078 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001692349345 1405967109 /nfs/dbraw/zinc/96/71/09/1405967109.db2.gz AKOXURONQXWSPI-CALCHBBNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568877 1406172649 /nfs/dbraw/zinc/17/26/49/1406172649.db2.gz GWCPVROLXFOMDA-UXHICEINSA-N 1 3 345.531 3.148 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601963 1406227312 /nfs/dbraw/zinc/22/73/12/1406227312.db2.gz XQTIMPYXTHEVFK-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CC1CCC(C[N@@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001732048131 1428285336 /nfs/dbraw/zinc/28/53/36/1428285336.db2.gz BGEDBUSLWUQJFK-CTWPCTMYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CCC(C[N@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001732048131 1428285338 /nfs/dbraw/zinc/28/53/38/1428285338.db2.gz BGEDBUSLWUQJFK-CTWPCTMYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068368 1412493760 /nfs/dbraw/zinc/49/37/60/1412493760.db2.gz XPNLAZSTRMVUDS-RTBURBONSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)(C)C1CCC(C[NH2+]C/C=C\CNC(=O)CN2CCCC2)CC1 ZINC001699362256 1412668954 /nfs/dbraw/zinc/66/89/54/1412668954.db2.gz KPFPYIKNPFJRMI-PLNGDYQASA-N 1 3 349.563 3.197 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1)N(C)C ZINC001699367893 1412673604 /nfs/dbraw/zinc/67/36/04/1412673604.db2.gz VVWBRHCLQSCLDC-XOKHGSTOSA-N 1 3 339.911 3.226 10 0 EGAEHO CN(CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483314 1412878293 /nfs/dbraw/zinc/87/82/93/1412878293.db2.gz NISRWYJOXDPVMS-ROUUACIJSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001699533510 1412909967 /nfs/dbraw/zinc/90/99/67/1412909967.db2.gz LSIZGOWUBYAEIQ-MJGOQNOKSA-N 1 3 345.531 3.144 10 0 EGAEHO CCCCCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001699695229 1413103929 /nfs/dbraw/zinc/10/39/29/1413103929.db2.gz URENYSDUUOTWJQ-UHFFFAOYSA-N 1 3 349.563 3.366 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCC1 ZINC001699796093 1413205619 /nfs/dbraw/zinc/20/56/19/1413205619.db2.gz LJVFAJZJNRZNRN-PMACEKPBSA-N 1 3 349.563 3.480 10 0 EGAEHO C[C@@H](c1ccccc1Cl)N1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824718 1413249316 /nfs/dbraw/zinc/24/93/16/1413249316.db2.gz RIVLQPOECJRGKG-KXBFYZLASA-N 1 3 349.906 3.077 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001699842350 1413271159 /nfs/dbraw/zinc/27/11/59/1413271159.db2.gz WZSPBIVLJAOSRI-FXAWDEMLSA-N 1 3 339.568 3.227 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001699862398 1413297091 /nfs/dbraw/zinc/29/70/91/1413297091.db2.gz TUQWVNVASUFNOB-RURPWVQCSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001699863617 1413299215 /nfs/dbraw/zinc/29/92/15/1413299215.db2.gz CBDXASSCFLAXHX-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)CCC1 ZINC001700101603 1413519024 /nfs/dbraw/zinc/51/90/24/1413519024.db2.gz KYNGVQCZEOJORS-QAQDUYKDSA-N 1 3 337.552 3.172 10 0 EGAEHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001700193566 1413628352 /nfs/dbraw/zinc/62/83/52/1413628352.db2.gz FBSJKMWUADPEBN-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001700193566 1413628355 /nfs/dbraw/zinc/62/83/55/1413628355.db2.gz FBSJKMWUADPEBN-UHFFFAOYSA-N 1 3 349.563 3.079 10 0 EGAEHO CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001700221248 1413667768 /nfs/dbraw/zinc/66/77/68/1413667768.db2.gz LCOFQHZFXGUFHP-IHHMQQGQSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001700228814 1413685826 /nfs/dbraw/zinc/68/58/26/1413685826.db2.gz GMRJUMXKQXCTOG-UYAOXDASSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001700228814 1413685828 /nfs/dbraw/zinc/68/58/28/1413685828.db2.gz GMRJUMXKQXCTOG-UYAOXDASSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001700286921 1413734445 /nfs/dbraw/zinc/73/44/45/1413734445.db2.gz YWZRFKVTVVVTHZ-UHFFFAOYSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312431 1413767465 /nfs/dbraw/zinc/76/74/65/1413767465.db2.gz AJKSTGVUTFAFHL-FUHWJXTLSA-N 1 3 347.547 3.020 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001700312431 1413767466 /nfs/dbraw/zinc/76/74/66/1413767466.db2.gz AJKSTGVUTFAFHL-FUHWJXTLSA-N 1 3 347.547 3.020 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001700411184 1413953226 /nfs/dbraw/zinc/95/32/26/1413953226.db2.gz DIGCKXCYXFNDDQ-MSOLQXFVSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](CC3CCCCC3)C[C@]2(C)C1 ZINC001700624008 1414295455 /nfs/dbraw/zinc/29/54/55/1414295455.db2.gz PGQAYYSZWBZKPX-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCCCC3)C[C@]2(C)C1 ZINC001700624008 1414295456 /nfs/dbraw/zinc/29/54/56/1414295456.db2.gz PGQAYYSZWBZKPX-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001700645240 1414310366 /nfs/dbraw/zinc/31/03/66/1414310366.db2.gz CMYMKVPNJKOCIW-VJANTYMQSA-N 1 3 337.552 3.027 10 0 EGAEHO CN(CC(=O)N1CCC([N@H+](C)CC2CCCC2)CC1)CC(C)(C)C ZINC001700696291 1414352869 /nfs/dbraw/zinc/35/28/69/1414352869.db2.gz HOPCYTKOUFQQJW-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1)CC(C)(C)C ZINC001700696291 1414352876 /nfs/dbraw/zinc/35/28/76/1414352876.db2.gz HOPCYTKOUFQQJW-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001700769863 1414447824 /nfs/dbraw/zinc/44/78/24/1414447824.db2.gz FMHXXWCEXPWBQA-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@@H](C(=O)NC1(C2CC[NH+](CC3=CCCCC3)CC2)CC1)N(C)C ZINC001701029611 1414691290 /nfs/dbraw/zinc/69/12/90/1414691290.db2.gz DUMUWXKWXPBAHP-IBGZPJMESA-N 1 3 347.547 3.188 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001732608135 1428865300 /nfs/dbraw/zinc/86/53/00/1428865300.db2.gz PPOGOSDATLFBNB-UXHICEINSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC=C(C)C)C1 ZINC001732608135 1428865308 /nfs/dbraw/zinc/86/53/08/1428865308.db2.gz PPOGOSDATLFBNB-UXHICEINSA-N 1 3 349.563 3.388 10 0 EGAEHO CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)CN(C)C1CCC1 ZINC001732778086 1428964766 /nfs/dbraw/zinc/96/47/66/1428964766.db2.gz IFXRQJOIWSMVFR-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)CN(C)CC(C)(C)C ZINC001732796963 1428977708 /nfs/dbraw/zinc/97/77/08/1428977708.db2.gz GWOIKSWGTPQNIC-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C(C)C ZINC001707158773 1417224899 /nfs/dbraw/zinc/22/48/99/1417224899.db2.gz XIMKGZOMTYDHCT-CEXWTWQISA-N 1 3 337.552 3.122 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cccc(C)c1 ZINC001707452287 1417356541 /nfs/dbraw/zinc/35/65/41/1417356541.db2.gz OOMJKYLLGWNQJF-SFHVURJKSA-N 1 3 345.531 3.369 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cccc(C)c1 ZINC001707452287 1417356546 /nfs/dbraw/zinc/35/65/46/1417356546.db2.gz OOMJKYLLGWNQJF-SFHVURJKSA-N 1 3 345.531 3.369 10 0 EGAEHO CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001713056838 1417610901 /nfs/dbraw/zinc/61/09/01/1417610901.db2.gz QDDKQRSXLGHWPB-LJQANCHMSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001713215644 1417790735 /nfs/dbraw/zinc/79/07/35/1417790735.db2.gz PKFOFEVKGZXBDH-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001713215644 1417790740 /nfs/dbraw/zinc/79/07/40/1417790740.db2.gz PKFOFEVKGZXBDH-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275239 1417892993 /nfs/dbraw/zinc/89/29/93/1417892993.db2.gz GHRBACKNFZIAJF-OALUTQOASA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275239 1417892996 /nfs/dbraw/zinc/89/29/96/1417892996.db2.gz GHRBACKNFZIAJF-OALUTQOASA-N 1 3 349.563 3.434 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001713492974 1418194493 /nfs/dbraw/zinc/19/44/93/1418194493.db2.gz RPQVNUDHVJYVKP-HKUYNNGSSA-N 1 3 345.531 3.144 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001713492974 1418194496 /nfs/dbraw/zinc/19/44/96/1418194496.db2.gz RPQVNUDHVJYVKP-HKUYNNGSSA-N 1 3 345.531 3.144 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713677082 1418429074 /nfs/dbraw/zinc/42/90/74/1418429074.db2.gz KOBFCGJSUPQFMA-JTGQJZMRSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCCC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001713783294 1418599563 /nfs/dbraw/zinc/59/95/63/1418599563.db2.gz CUNIGTLOACQFEY-UHFFFAOYSA-N 1 3 339.568 3.467 10 0 EGAEHO CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)cc1 ZINC001714320978 1419099782 /nfs/dbraw/zinc/09/97/82/1419099782.db2.gz JLBUSWWKCCIKBM-QGZVFWFLSA-N 1 3 345.531 3.313 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400744 1419144000 /nfs/dbraw/zinc/14/40/00/1419144000.db2.gz DORUUYXXRDMJAP-ZWKOTPCHSA-N 1 3 347.547 3.068 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001714448949 1419181280 /nfs/dbraw/zinc/18/12/80/1419181280.db2.gz NSCDHGLAOINHHW-LJQANCHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001714448949 1419181281 /nfs/dbraw/zinc/18/12/81/1419181281.db2.gz NSCDHGLAOINHHW-LJQANCHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1 ZINC001714839742 1419552418 /nfs/dbraw/zinc/55/24/18/1419552418.db2.gz MONXBZMQFMRTAY-OALUTQOASA-N 1 3 331.504 3.105 10 0 EGAEHO CCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001715048595 1419789947 /nfs/dbraw/zinc/78/99/47/1419789947.db2.gz VKTIAHUAZSLLIS-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001715105192 1419846575 /nfs/dbraw/zinc/84/65/75/1419846575.db2.gz XBYICGQBTMMGMY-UHFFFAOYSA-N 1 3 349.563 3.316 10 0 EGAEHO Cc1ccccc1C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001715159980 1419901772 /nfs/dbraw/zinc/90/17/72/1419901772.db2.gz IKRRPSDTLPQOET-LJQANCHMSA-N 1 3 345.531 3.054 10 0 EGAEHO CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001715182125 1419915855 /nfs/dbraw/zinc/91/58/55/1419915855.db2.gz JBNKFJPITAKHQW-FHWLQOOXSA-N 1 3 337.552 3.457 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCCC1 ZINC001715309016 1420018361 /nfs/dbraw/zinc/01/83/61/1420018361.db2.gz DLTRFKNNAGIWJF-UHFFFAOYSA-N 1 3 335.536 3.236 10 0 EGAEHO CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001715365038 1420062387 /nfs/dbraw/zinc/06/23/87/1420062387.db2.gz REFNZOPWAQTBCN-APWZRJJASA-N 1 3 343.531 3.072 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376642 1420072677 /nfs/dbraw/zinc/07/26/77/1420072677.db2.gz KLFOXLSGVKZAQP-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001715410685 1420107128 /nfs/dbraw/zinc/10/71/28/1420107128.db2.gz IWRQLDPIKCVITE-PXNSSMCTSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001715543169 1420241019 /nfs/dbraw/zinc/24/10/19/1420241019.db2.gz AIUINCULCJWAKR-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001715543169 1420241021 /nfs/dbraw/zinc/24/10/21/1420241021.db2.gz AIUINCULCJWAKR-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)[C@H](C(=O)NC/C=C\CNCc1ccsc1)[NH+]1CCCCC1 ZINC001715915569 1420395709 /nfs/dbraw/zinc/39/57/09/1420395709.db2.gz UCXCCFRYCCCNNE-PYTPGESOSA-N 1 3 349.544 3.021 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042575 1420505671 /nfs/dbraw/zinc/50/56/71/1420505671.db2.gz QQGKHWQSGRWLQP-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001716042575 1420505673 /nfs/dbraw/zinc/50/56/73/1420505673.db2.gz QQGKHWQSGRWLQP-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001716278221 1420591591 /nfs/dbraw/zinc/59/15/91/1420591591.db2.gz YLXOEQBFEGWLTG-MZCYRKOTSA-N 1 3 349.563 3.195 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515496 1420745326 /nfs/dbraw/zinc/74/53/26/1420745326.db2.gz JUEAYMRSWQQNQY-MSOLQXFVSA-N 1 3 335.536 3.092 10 0 EGAEHO CCc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCCN2CC)c1 ZINC001716586884 1420769459 /nfs/dbraw/zinc/76/94/59/1420769459.db2.gz JSIGIIPKKWXLAI-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CCN1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665220 1420820211 /nfs/dbraw/zinc/82/02/11/1420820211.db2.gz IRFVSWUWRYZBBG-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665220 1420820214 /nfs/dbraw/zinc/82/02/14/1420820214.db2.gz IRFVSWUWRYZBBG-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665220 1420820217 /nfs/dbraw/zinc/82/02/17/1420820217.db2.gz IRFVSWUWRYZBBG-UYAOXDASSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC001716796871 1420929772 /nfs/dbraw/zinc/92/97/72/1420929772.db2.gz KGRBAYFWQHWFOI-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001716799878 1420932853 /nfs/dbraw/zinc/93/28/53/1420932853.db2.gz RDELIMSZTBFYHT-UHFFFAOYSA-N 1 3 346.519 3.202 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901241 1421032406 /nfs/dbraw/zinc/03/24/06/1421032406.db2.gz DOYAYAWQOYXURU-HCZHMGAMSA-N 1 3 346.519 3.225 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901241 1421032407 /nfs/dbraw/zinc/03/24/07/1421032407.db2.gz DOYAYAWQOYXURU-HCZHMGAMSA-N 1 3 346.519 3.225 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001716996858 1421066186 /nfs/dbraw/zinc/06/61/86/1421066186.db2.gz FQJSFQREOWOETQ-XLIONFOSSA-N 1 3 345.531 3.092 10 0 EGAEHO C[N@H+](CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1)C1CCCCC1 ZINC001733283265 1429455335 /nfs/dbraw/zinc/45/53/35/1429455335.db2.gz FYIPSGLKLYKIIY-BGYRXZFFSA-N 1 3 347.547 3.116 10 0 EGAEHO C[N@@H+](CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1)C1CCCCC1 ZINC001733283265 1429455337 /nfs/dbraw/zinc/45/53/37/1429455337.db2.gz FYIPSGLKLYKIIY-BGYRXZFFSA-N 1 3 347.547 3.116 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001717150150 1421141115 /nfs/dbraw/zinc/14/11/15/1421141115.db2.gz PWPWZBJJDUCBBA-SFHVURJKSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717149902 1421141150 /nfs/dbraw/zinc/14/11/50/1421141150.db2.gz GWIUPINOATZJJP-LJQANCHMSA-N 1 3 349.563 3.458 10 0 EGAEHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001717409578 1421342118 /nfs/dbraw/zinc/34/21/18/1421342118.db2.gz FJWBTYUZDGMNNM-SJORKVTESA-N 1 3 335.536 3.234 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001717459953 1421389605 /nfs/dbraw/zinc/38/96/05/1421389605.db2.gz UBKHEDBLDOBBLS-IAGOWNOFSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+]CC1=CCCCC1 ZINC001717516896 1421454251 /nfs/dbraw/zinc/45/42/51/1421454251.db2.gz SCUBETRWMRYLFE-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H](C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1)N1CCCCCC1 ZINC001717526008 1421461549 /nfs/dbraw/zinc/46/15/49/1421461549.db2.gz MBIUKTMUGZOLTN-SFHVURJKSA-N 1 3 349.563 3.460 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001722915811 1424252158 /nfs/dbraw/zinc/25/21/58/1424252158.db2.gz IENPCDQGLIAQLK-ADRWGQEASA-N 1 3 343.515 3.011 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001722915811 1424252162 /nfs/dbraw/zinc/25/21/62/1424252162.db2.gz IENPCDQGLIAQLK-ADRWGQEASA-N 1 3 343.515 3.011 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001722916728 1424253477 /nfs/dbraw/zinc/25/34/77/1424253477.db2.gz OBQGEIJFOBWZFS-YJBOKZPZSA-N 1 3 337.483 3.054 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001722916728 1424253478 /nfs/dbraw/zinc/25/34/78/1424253478.db2.gz OBQGEIJFOBWZFS-YJBOKZPZSA-N 1 3 337.483 3.054 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc2ccccc2s1 ZINC001722916983 1424255002 /nfs/dbraw/zinc/25/50/02/1424255002.db2.gz QJEXSPPXBUSELS-HNNXBMFYSA-N 1 3 347.528 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc2ccccc2s1 ZINC001722916983 1424255008 /nfs/dbraw/zinc/25/50/08/1424255008.db2.gz QJEXSPPXBUSELS-HNNXBMFYSA-N 1 3 347.528 3.178 10 0 EGAEHO CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001723205622 1424320438 /nfs/dbraw/zinc/32/04/38/1424320438.db2.gz ZJRIZCLAJIEQMN-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173113 1424706537 /nfs/dbraw/zinc/70/65/37/1424706537.db2.gz BHOKEOCLHLVWJJ-GHTZIAJQSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001724173113 1424706542 /nfs/dbraw/zinc/70/65/42/1424706542.db2.gz BHOKEOCLHLVWJJ-GHTZIAJQSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001724325587 1424813838 /nfs/dbraw/zinc/81/38/38/1424813838.db2.gz ZDZQUGAUUHPVCR-QUCCMNQESA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC=C(C)C)C1 ZINC001724325587 1424813847 /nfs/dbraw/zinc/81/38/47/1424813847.db2.gz ZDZQUGAUUHPVCR-QUCCMNQESA-N 1 3 335.536 3.045 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749457 1425119026 /nfs/dbraw/zinc/11/90/26/1425119026.db2.gz MYAMDJHMCTVQPF-PMACEKPBSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001724800580 1425169589 /nfs/dbraw/zinc/16/95/89/1425169589.db2.gz NXTROSVVPDITHE-CALCHBBNSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247381 1425866494 /nfs/dbraw/zinc/86/64/94/1425866494.db2.gz IMUFGYQUHDZQRW-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471841 1426143287 /nfs/dbraw/zinc/14/32/87/1426143287.db2.gz JWVICTSVZQFUEV-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001725623010 1426288983 /nfs/dbraw/zinc/28/89/83/1426288983.db2.gz LHAGFAGNENTSMM-GUDVDZBRSA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001725667349 1426350470 /nfs/dbraw/zinc/35/04/70/1426350470.db2.gz DXUYQUDSEWYNTC-MSOLQXFVSA-N 1 3 337.552 3.122 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC001725669154 1426352934 /nfs/dbraw/zinc/35/29/34/1426352934.db2.gz IMLYIYAOUVFIDW-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1ccc(C)c(C[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001731268552 1427216150 /nfs/dbraw/zinc/21/61/50/1427216150.db2.gz OHRGCMPXGMTKMB-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO Cc1ccc(C)c(C[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001731268552 1427216151 /nfs/dbraw/zinc/21/61/51/1427216151.db2.gz OHRGCMPXGMTKMB-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001731298785 1427241011 /nfs/dbraw/zinc/24/10/11/1427241011.db2.gz ZNPPBYFHHUBCSM-ICSRJNTNSA-N 1 3 345.531 3.194 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001731377921 1427312767 /nfs/dbraw/zinc/31/27/67/1427312767.db2.gz OJUJXEJVBGEXPU-WLMAVBAVSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001731679645 1427727910 /nfs/dbraw/zinc/72/79/10/1427727910.db2.gz MTAWPLXJYFSHKD-RTBURBONSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)c1ccccc1C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731861013 1428099961 /nfs/dbraw/zinc/09/99/61/1428099961.db2.gz PXZOVEIMAKJWAZ-GOSISDBHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001731861013 1428099965 /nfs/dbraw/zinc/09/99/65/1428099965.db2.gz PXZOVEIMAKJWAZ-GOSISDBHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001733691507 1429908101 /nfs/dbraw/zinc/90/81/01/1429908101.db2.gz INXMUPDMWYHYQL-MXVIHJGJSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733783054 1430050762 /nfs/dbraw/zinc/05/07/62/1430050762.db2.gz VQOFPEMPROHPAA-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733783054 1430050768 /nfs/dbraw/zinc/05/07/68/1430050768.db2.gz VQOFPEMPROHPAA-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CN(CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001733953654 1437763252 /nfs/dbraw/zinc/76/32/52/1437763252.db2.gz RURFNVXAMOHGGE-UHFFFAOYSA-N 1 3 337.552 3.029 10 0 EGAEHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001734021162 1437810237 /nfs/dbraw/zinc/81/02/37/1437810237.db2.gz ZNMWNZXPHJJZFR-RTBURBONSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001734057436 1437848906 /nfs/dbraw/zinc/84/89/06/1437848906.db2.gz GPHLZMLTUMRZEM-LPHOPBHVSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(F)c1 ZINC001734057436 1437848909 /nfs/dbraw/zinc/84/89/09/1437848909.db2.gz GPHLZMLTUMRZEM-LPHOPBHVSA-N 1 3 349.494 3.025 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001734253267 1437968348 /nfs/dbraw/zinc/96/83/48/1437968348.db2.gz URMKYPZWNWYNPK-MJGOQNOKSA-N 1 3 345.531 3.020 10 0 EGAEHO CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001734425568 1438091523 /nfs/dbraw/zinc/09/15/23/1438091523.db2.gz BYEQWPXZIGCYKI-XLIONFOSSA-N 1 3 345.531 3.058 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC001734441366 1438103438 /nfs/dbraw/zinc/10/34/38/1438103438.db2.gz CKMULXSZKNZUMM-YZGWKJHDSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1 ZINC001734489855 1438130056 /nfs/dbraw/zinc/13/00/56/1438130056.db2.gz XVQNCBSEKBTPMQ-UYAOXDASSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+]([C@H](C)c2ccccc2C)CC1 ZINC001734635110 1438195242 /nfs/dbraw/zinc/19/52/42/1438195242.db2.gz AVOSPLXLXOEPNG-GOSISDBHSA-N 1 3 343.515 3.146 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+]([C@H](C)c2ccccc2C)CC1 ZINC001734635110 1438195245 /nfs/dbraw/zinc/19/52/45/1438195245.db2.gz AVOSPLXLXOEPNG-GOSISDBHSA-N 1 3 343.515 3.146 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001750945479 1440118117 /nfs/dbraw/zinc/11/81/17/1440118117.db2.gz URZSHFDUMSOSBO-XRZRDHLVSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001750945479 1440118118 /nfs/dbraw/zinc/11/81/18/1440118118.db2.gz URZSHFDUMSOSBO-XRZRDHLVSA-N 1 3 337.552 3.290 10 0 EGAEHO CCN[C@@H](CC[N@H+](C)CCOC)c1cccc(Br)c1 ZINC000053971811 214207800 /nfs/dbraw/zinc/20/78/00/214207800.db2.gz QTCUYMOGLJXHFQ-HNNXBMFYSA-N 1 3 329.282 3.068 10 0 EGAEHO CCN[C@@H](CC[N@@H+](C)CCOC)c1cccc(Br)c1 ZINC000053971811 214207802 /nfs/dbraw/zinc/20/78/02/214207802.db2.gz QTCUYMOGLJXHFQ-HNNXBMFYSA-N 1 3 329.282 3.068 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCCOC(C)C)CC1 ZINC000343077188 283350197 /nfs/dbraw/zinc/35/01/97/283350197.db2.gz HLISQRTWGFFTPI-UHFFFAOYSA-N 1 3 333.520 3.123 10 0 EGAEHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cccc(F)c1 ZINC000174252871 296118687 /nfs/dbraw/zinc/11/86/87/296118687.db2.gz HNYIBFFQRVZICF-QGZVFWFLSA-N 1 3 333.495 3.427 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000093639165 218236235 /nfs/dbraw/zinc/23/62/35/218236235.db2.gz QVIQNLLEUNITGV-UKRRQHHQSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000093639165 218236236 /nfs/dbraw/zinc/23/62/36/218236236.db2.gz QVIQNLLEUNITGV-UKRRQHHQSA-N 1 3 342.430 3.459 10 0 EGAEHO CN(C)C1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCCC1 ZINC000268710945 252161191 /nfs/dbraw/zinc/16/11/91/252161191.db2.gz DTWDUQHETMFSIC-UHFFFAOYSA-N 1 3 329.532 3.158 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000268878497 252326730 /nfs/dbraw/zinc/32/67/30/252326730.db2.gz WZWKNYLINOADDZ-TYPHKJRUSA-N 1 3 329.532 3.219 10 0 EGAEHO Cc1nc2ccc(CN(C)CCN(C)C3CC[NH+](C)CC3)cc2s1 ZINC000349059507 156336695 /nfs/dbraw/zinc/33/66/95/156336695.db2.gz CIJRTRAXNIKVML-UHFFFAOYSA-N 1 3 346.544 3.063 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000372765977 157378589 /nfs/dbraw/zinc/37/85/89/157378589.db2.gz KGQGDRFAPFSQMG-HLAWJBBLSA-N 1 3 346.515 3.312 10 0 EGAEHO C[NH+](C)CCCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000343888680 164058661 /nfs/dbraw/zinc/05/86/61/164058661.db2.gz DUSUFDZEESQEQF-KRWDZBQOSA-N 1 3 340.895 3.329 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344599334 164197039 /nfs/dbraw/zinc/19/70/39/164197039.db2.gz DVAPFINDMOUBJE-SJLPKXTDSA-N 1 3 331.504 3.106 10 0 EGAEHO Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000366892178 168153331 /nfs/dbraw/zinc/15/33/31/168153331.db2.gz YWSDOVLGWULFIS-UHFFFAOYSA-N 1 3 346.425 3.461 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000123453206 222279325 /nfs/dbraw/zinc/27/93/25/222279325.db2.gz IDFCSUIWQLAFCQ-CABCVRRESA-N 1 3 343.471 3.049 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000123453206 222279327 /nfs/dbraw/zinc/27/93/27/222279327.db2.gz IDFCSUIWQLAFCQ-CABCVRRESA-N 1 3 343.471 3.049 10 0 EGAEHO C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496609 275640371 /nfs/dbraw/zinc/64/03/71/275640371.db2.gz RLPLHERXDRBMFD-KXBFYZLASA-N 1 3 342.487 3.089 10 0 EGAEHO Cc1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc(C)c1O ZINC000290530379 276507733 /nfs/dbraw/zinc/50/77/33/276507733.db2.gz YCIOQHHTTIMVSR-UHFFFAOYSA-N 1 3 325.456 3.410 10 0 EGAEHO C[C@H]1CC[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000361340328 278378662 /nfs/dbraw/zinc/37/86/62/278378662.db2.gz COLHUJRVMZPTCW-OXJNMPFZSA-N 1 3 343.515 3.157 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2ccccc2OCC2CC2)C[C@H](C)O1 ZINC000067452569 307365641 /nfs/dbraw/zinc/36/56/41/307365641.db2.gz JSPMHFYBPOTZOQ-HDICACEKSA-N 1 3 346.515 3.454 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000414162655 309064078 /nfs/dbraw/zinc/06/40/78/309064078.db2.gz DOLRJEQAFMVVNI-UWJYYQICSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cncn2c1 ZINC000414162655 309064079 /nfs/dbraw/zinc/06/40/79/309064079.db2.gz DOLRJEQAFMVVNI-UWJYYQICSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cncn2c1 ZINC000414162655 309064080 /nfs/dbraw/zinc/06/40/80/309064080.db2.gz DOLRJEQAFMVVNI-UWJYYQICSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H](NCc1ccc2cncn2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414198894 309066450 /nfs/dbraw/zinc/06/64/50/309066450.db2.gz YLKLDSBZMYPCTO-INIZCTEOSA-N 1 3 338.455 3.126 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821663 309103720 /nfs/dbraw/zinc/10/37/20/309103720.db2.gz BJPWGLQOFKOUEV-FMVWZJFZSA-N 1 3 341.268 3.392 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(F)c1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414810830 309102997 /nfs/dbraw/zinc/10/29/97/309102997.db2.gz OPHGQYMNVDWEOZ-KGLIPLIRSA-N 1 3 329.419 3.352 10 0 EGAEHO Cc1cccc2c(NCc3ccnc(OCC[NH+](C)C)c3)ccnc12 ZINC000301896204 308720480 /nfs/dbraw/zinc/72/04/80/308720480.db2.gz UKWNVGMKQKDHLG-UHFFFAOYSA-N 1 3 336.439 3.491 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NC[C@@H]1CCC[NH2+]C1 ZINC000414865217 309106308 /nfs/dbraw/zinc/10/63/08/309106308.db2.gz ZCMQZKPRDJGKJT-VXGBXAGGSA-N 1 3 329.257 3.108 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414930378 309109842 /nfs/dbraw/zinc/10/98/42/309109842.db2.gz ASPVKCAODISQOH-HFAKWTLXSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414930378 309109843 /nfs/dbraw/zinc/10/98/43/309109843.db2.gz ASPVKCAODISQOH-HFAKWTLXSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cnccc1N ZINC000422833446 309370900 /nfs/dbraw/zinc/37/09/00/309370900.db2.gz GWTXBPQLARHAGI-HUUCEWRRSA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833446 309370901 /nfs/dbraw/zinc/37/09/01/309370901.db2.gz GWTXBPQLARHAGI-HUUCEWRRSA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833446 309370902 /nfs/dbraw/zinc/37/09/02/309370902.db2.gz GWTXBPQLARHAGI-HUUCEWRRSA-N 1 3 330.501 3.118 10 0 EGAEHO CCN(CC)[C@H](C[NH2+][C@H](C)c1cnccc1N)Cc1ccccc1 ZINC000422835676 309371221 /nfs/dbraw/zinc/37/12/21/309371221.db2.gz PYTIKSRGBVNNCB-AEFFLSMTSA-N 1 3 326.488 3.098 10 0 EGAEHO COc1ccccc1N1CC[C@H](N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422871922 309373063 /nfs/dbraw/zinc/37/30/63/309373063.db2.gz DXKLWOUAZVJTCN-BZSNNMDCSA-N 1 3 331.504 3.174 10 0 EGAEHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1cnccc1N ZINC000422889103 309374424 /nfs/dbraw/zinc/37/44/24/309374424.db2.gz FDILPIPIUAQTLF-MRXNPFEDSA-N 1 3 342.487 3.066 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCOCC1 ZINC000422897395 309374895 /nfs/dbraw/zinc/37/48/95/309374895.db2.gz JKTJLXODVYMXQH-MJGOQNOKSA-N 1 3 346.515 3.159 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937826 309377078 /nfs/dbraw/zinc/37/70/78/309377078.db2.gz OZTAROYVXYSVKD-CTNGQTDRSA-N 1 3 342.483 3.437 10 0 EGAEHO CCC1(CC)[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1OC ZINC000422945327 309377536 /nfs/dbraw/zinc/37/75/36/309377536.db2.gz UCNAORHEWKJWTD-LMCOJAPRSA-N 1 3 344.499 3.426 10 0 EGAEHO CC(C)CC[C@](C)(O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422972908 309379000 /nfs/dbraw/zinc/37/90/00/309379000.db2.gz AWTHRVZFZJZNQZ-IHPCNDPISA-N 1 3 332.488 3.019 10 0 EGAEHO Cc1c([C@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257006 309392634 /nfs/dbraw/zinc/39/26/34/309392634.db2.gz HAKVZLFVUWGHDY-ZFWWWQNUSA-N 1 3 347.894 3.269 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000423273765 309393542 /nfs/dbraw/zinc/39/35/42/309393542.db2.gz JIETVGHJNYTDBY-SLYNCCJLSA-N 1 3 329.532 3.189 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)CC(C)(C)C)CC1 ZINC000449147862 310040305 /nfs/dbraw/zinc/04/03/05/310040305.db2.gz IHQRQUGGNUFSII-XLIONFOSSA-N 1 3 332.532 3.469 10 0 EGAEHO CCC(CC)[C@@H](O)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449154062 310040738 /nfs/dbraw/zinc/04/07/38/310040738.db2.gz GZWSREFFKVGDHN-UWJYYQICSA-N 1 3 332.532 3.469 10 0 EGAEHO CC[NH+]1CCC(CCNCc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449165594 310041660 /nfs/dbraw/zinc/04/16/60/310041660.db2.gz AHUZBVYLDYBWPJ-UHFFFAOYSA-N 1 3 342.487 3.093 10 0 EGAEHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CC(F)(F)C1 ZINC000529537556 313349361 /nfs/dbraw/zinc/34/93/61/313349361.db2.gz FTUVAYQPDUZVIS-AWEZNQCLSA-N 1 3 326.431 3.193 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535777862 314073364 /nfs/dbraw/zinc/07/33/64/314073364.db2.gz ZSNGISCTBSTNQE-CQSZACIVSA-N 1 3 327.875 3.157 10 0 EGAEHO COc1ccc(C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000552899101 315237153 /nfs/dbraw/zinc/23/71/53/315237153.db2.gz LPVBNOHUJIXQIB-KURKYZTESA-N 1 3 334.504 3.105 10 0 EGAEHO CC1=C[C@H](C)C[C@H](CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000565781734 316369122 /nfs/dbraw/zinc/36/91/22/316369122.db2.gz ZCOPKEGNBNOFPE-VMXMFDLUSA-N 1 3 333.564 3.469 10 0 EGAEHO C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000577527927 324823312 /nfs/dbraw/zinc/82/33/12/324823312.db2.gz SESIJWBWOLKXPQ-HKUYNNGSSA-N 1 3 345.531 3.306 10 0 EGAEHO CSC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000133125092 533713707 /nfs/dbraw/zinc/71/37/07/533713707.db2.gz NDNIHWXKSNDCSB-VQIMIIECSA-N 1 3 334.529 3.181 10 0 EGAEHO Cc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000183149639 455238907 /nfs/dbraw/zinc/23/89/07/455238907.db2.gz COEHJCVXCRJKTG-QHAWAJNXSA-N 1 3 338.499 3.082 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623440425 460551616 /nfs/dbraw/zinc/55/16/16/460551616.db2.gz VOIHYSBMAQDRJQ-HOJAQTOUSA-N 1 3 329.532 3.359 10 0 EGAEHO CN1CC[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475656 460569922 /nfs/dbraw/zinc/56/99/22/460569922.db2.gz WZCLUAWSLOGNPO-CABCVRRESA-N 1 3 330.394 3.201 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCCc2nc(-c3ccc(F)cc3)no2)CC1(C)C ZINC000623489447 460577583 /nfs/dbraw/zinc/57/75/83/460577583.db2.gz AFFGOPCTIGMKPJ-INIZCTEOSA-N 1 3 346.450 3.271 10 0 EGAEHO C[N@H+]1CC[C@H](NCCCc2nc(-c3ccc(F)cc3)no2)CC1(C)C ZINC000623489447 460577590 /nfs/dbraw/zinc/57/75/90/460577590.db2.gz AFFGOPCTIGMKPJ-INIZCTEOSA-N 1 3 346.450 3.271 10 0 EGAEHO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245776151 455377967 /nfs/dbraw/zinc/37/79/67/455377967.db2.gz YDCAOSUNBYUWKH-PMNYKWLYSA-N 1 3 348.490 3.430 10 0 EGAEHO C[C@@H](NC1CC[NH+](C)CC1)c1cccc(OCc2ccccn2)c1 ZINC000095967354 454242592 /nfs/dbraw/zinc/24/25/92/454242592.db2.gz QGKOREJKDXECFI-MRXNPFEDSA-N 1 3 325.456 3.405 10 0 EGAEHO CC(C)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028799 454264386 /nfs/dbraw/zinc/26/43/86/454264386.db2.gz ZZBYPCZHYHZYNR-KRWDZBQOSA-N 1 3 331.504 3.036 10 0 EGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000105862667 454662131 /nfs/dbraw/zinc/66/21/31/454662131.db2.gz BHGSZMBMZPTHGS-KGLIPLIRSA-N 1 3 326.431 3.050 10 0 EGAEHO C[C@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929452 455050063 /nfs/dbraw/zinc/05/00/63/455050063.db2.gz CUSVKPCVTSSBKV-QFBILLFUSA-N 1 3 328.456 3.376 10 0 EGAEHO C[C@H]([NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929452 455050065 /nfs/dbraw/zinc/05/00/65/455050065.db2.gz CUSVKPCVTSSBKV-QFBILLFUSA-N 1 3 328.456 3.376 10 0 EGAEHO Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000179685425 455066799 /nfs/dbraw/zinc/06/67/99/455066799.db2.gz NZKOVOXZQKUSLH-UHFFFAOYSA-N 1 3 338.499 3.395 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180015173 455116737 /nfs/dbraw/zinc/11/67/37/455116737.db2.gz ZLKZYDOIDMTWLT-IBGZPJMESA-N 1 3 335.923 3.408 10 0 EGAEHO CCC[NH+]1CCC(CN[C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182830618 455173733 /nfs/dbraw/zinc/17/37/33/455173733.db2.gz ANXHGSAFLGNRMC-SFHVURJKSA-N 1 3 326.431 3.364 10 0 EGAEHO CN1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245763538 455375378 /nfs/dbraw/zinc/37/53/78/455375378.db2.gz WASIGCXEHVAHAI-MXEMCNAFSA-N 1 3 327.516 3.113 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000245850620 455385482 /nfs/dbraw/zinc/38/54/82/455385482.db2.gz GGFRYUYCONUYQQ-UWHLTILDSA-N 1 3 342.527 3.344 10 0 EGAEHO CC[N@@H+]1CC[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000247113680 455560690 /nfs/dbraw/zinc/56/06/90/455560690.db2.gz QSOBNYMEHQYODC-KSSFIOAISA-N 1 3 330.451 3.140 10 0 EGAEHO CC[N@H+]1CC[C@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000247113680 455560693 /nfs/dbraw/zinc/56/06/93/455560693.db2.gz QSOBNYMEHQYODC-KSSFIOAISA-N 1 3 330.451 3.140 10 0 EGAEHO CCN1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000247113680 455560699 /nfs/dbraw/zinc/56/06/99/455560699.db2.gz QSOBNYMEHQYODC-KSSFIOAISA-N 1 3 330.451 3.140 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccc5c4NCC5)C[C@@H]3C2)cc1 ZINC000261931864 455973488 /nfs/dbraw/zinc/97/34/88/455973488.db2.gz LOSKBANRRRKIFO-OYRHEFFESA-N 1 3 333.479 3.218 10 0 EGAEHO c1ccc(CN2C[C@@H]3C[N@H+](Cc4cccc5c4NCC5)C[C@@H]3C2)cc1 ZINC000261931864 455973493 /nfs/dbraw/zinc/97/34/93/455973493.db2.gz LOSKBANRRRKIFO-OYRHEFFESA-N 1 3 333.479 3.218 10 0 EGAEHO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000352821875 456335568 /nfs/dbraw/zinc/33/55/68/456335568.db2.gz BLEOZKOURKHEAG-APWZRJJASA-N 1 3 343.515 3.060 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481976 456356036 /nfs/dbraw/zinc/35/60/36/456356036.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 1 3 330.520 3.273 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481976 456356044 /nfs/dbraw/zinc/35/60/44/456356044.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481976 456356051 /nfs/dbraw/zinc/35/60/51/456356051.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 1 3 330.520 3.273 10 0 EGAEHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481976 456356062 /nfs/dbraw/zinc/35/60/62/456356062.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 1 3 330.520 3.273 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000353383585 456663043 /nfs/dbraw/zinc/66/30/43/456663043.db2.gz GEOUEESTZMQPEY-XMTFNYHQSA-N 1 3 330.472 3.371 10 0 EGAEHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000353383585 456663053 /nfs/dbraw/zinc/66/30/53/456663053.db2.gz GEOUEESTZMQPEY-XMTFNYHQSA-N 1 3 330.472 3.371 10 0 EGAEHO CCOc1c(OC)cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1OC ZINC000353494455 456713782 /nfs/dbraw/zinc/71/37/82/456713782.db2.gz CTEXHFGDJFMKMP-ZACQAIPSSA-N 1 3 348.487 3.065 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353633252 456817276 /nfs/dbraw/zinc/81/72/76/456817276.db2.gz VXNKITAMZGOTBM-PMACEKPBSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353633252 456817280 /nfs/dbraw/zinc/81/72/80/456817280.db2.gz VXNKITAMZGOTBM-PMACEKPBSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000354404101 457201042 /nfs/dbraw/zinc/20/10/42/457201042.db2.gz MOLBXWIEYXOGTJ-VQTJNVASSA-N 1 3 343.515 3.032 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000354404101 457201048 /nfs/dbraw/zinc/20/10/48/457201048.db2.gz MOLBXWIEYXOGTJ-VQTJNVASSA-N 1 3 343.515 3.032 10 0 EGAEHO Cc1cc(F)ccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397506698 457489010 /nfs/dbraw/zinc/48/90/10/457489010.db2.gz GPFYPQWUUZOZQG-UHFFFAOYSA-N 1 3 342.458 3.251 10 0 EGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000397687437 457490559 /nfs/dbraw/zinc/49/05/59/457490559.db2.gz ONOUTTLZSLKISH-MRXNPFEDSA-N 1 3 330.497 3.426 10 0 EGAEHO C[N@H+]1CC=C(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427526219 457997302 /nfs/dbraw/zinc/99/73/02/457997302.db2.gz BXYGBNJUGUYHNN-HNNXBMFYSA-N 1 3 325.378 3.329 10 0 EGAEHO C[N@@H+]1CC=C(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427526219 457997306 /nfs/dbraw/zinc/99/73/06/457997306.db2.gz BXYGBNJUGUYHNN-HNNXBMFYSA-N 1 3 325.378 3.329 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000375954104 458137441 /nfs/dbraw/zinc/13/74/41/458137441.db2.gz LKWLGYWJJKRQIU-OAQYLSRUSA-N 1 3 347.522 3.205 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000375954104 458137445 /nfs/dbraw/zinc/13/74/45/458137445.db2.gz LKWLGYWJJKRQIU-OAQYLSRUSA-N 1 3 347.522 3.205 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000470774235 458648862 /nfs/dbraw/zinc/64/88/62/458648862.db2.gz RPGQSYFIIOSIHE-YHYVQYDKSA-N 1 3 340.511 3.405 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000470774235 458648869 /nfs/dbraw/zinc/64/88/69/458648869.db2.gz RPGQSYFIIOSIHE-YHYVQYDKSA-N 1 3 340.511 3.405 10 0 EGAEHO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000462789070 458653363 /nfs/dbraw/zinc/65/33/63/458653363.db2.gz DJXWJSHTMBOSOK-INIZCTEOSA-N 1 3 330.472 3.216 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000494926068 458765838 /nfs/dbraw/zinc/76/58/38/458765838.db2.gz WCQIEVHBKZZSSF-SBHAEUEKSA-N 1 3 329.532 3.219 10 0 EGAEHO CC1=CCN(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548158596 458847196 /nfs/dbraw/zinc/84/71/96/458847196.db2.gz QHBRFIOOOXUVID-PZJWPPBQSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158596 458847201 /nfs/dbraw/zinc/84/72/01/458847201.db2.gz QHBRFIOOOXUVID-PZJWPPBQSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548158596 458847206 /nfs/dbraw/zinc/84/72/06/458847206.db2.gz QHBRFIOOOXUVID-PZJWPPBQSA-N 1 3 327.516 3.139 10 0 EGAEHO C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000577527933 459047310 /nfs/dbraw/zinc/04/73/10/459047310.db2.gz SESIJWBWOLKXPQ-PKOBYXMFSA-N 1 3 345.531 3.306 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)OCCc2ccccc21 ZINC000558509292 459168712 /nfs/dbraw/zinc/16/87/12/459168712.db2.gz MDOOFCKBFUQOJI-AYWYSENESA-N 1 3 328.500 3.327 10 0 EGAEHO CC[C@]1(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)OCCc2ccccc21 ZINC000558509292 459168720 /nfs/dbraw/zinc/16/87/20/459168720.db2.gz MDOOFCKBFUQOJI-AYWYSENESA-N 1 3 328.500 3.327 10 0 EGAEHO O[C@@H]1CCCC[C@@H]1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000568050775 459214919 /nfs/dbraw/zinc/21/49/19/459214919.db2.gz DZORGOYLJYYXEM-KZNAEPCWSA-N 1 3 334.529 3.243 10 0 EGAEHO CC(C)CC1([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CCNCC1 ZINC000536955962 459362554 /nfs/dbraw/zinc/36/25/54/459362554.db2.gz VRXKVUWWKQLOQW-UHFFFAOYSA-N 1 3 339.524 3.098 10 0 EGAEHO CC(C)CC1([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CCNCC1 ZINC000536955962 459362557 /nfs/dbraw/zinc/36/25/57/459362557.db2.gz VRXKVUWWKQLOQW-UHFFFAOYSA-N 1 3 339.524 3.098 10 0 EGAEHO Clc1cccc2c1CCN(CC[NH2+]C1CCN(CC3CC3)CC1)C2 ZINC000526947542 459562490 /nfs/dbraw/zinc/56/24/90/459562490.db2.gz ZIPCYAAWQFEVRO-UHFFFAOYSA-N 1 3 347.934 3.162 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527656129 459687487 /nfs/dbraw/zinc/68/74/87/459687487.db2.gz XIHSFJONPQKTGX-JHVJFLLYSA-N 1 3 328.500 3.168 10 0 EGAEHO CCOc1cc(CNCCC2CC[NH+](CC)CC2)c(F)cc1OC ZINC000527667683 459692860 /nfs/dbraw/zinc/69/28/60/459692860.db2.gz QHVBJKSJLITQCL-UHFFFAOYSA-N 1 3 338.467 3.445 10 0 EGAEHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527670210 459693986 /nfs/dbraw/zinc/69/39/86/459693986.db2.gz MALYWZXABLBSDZ-JHVJFLLYSA-N 1 3 328.500 3.168 10 0 EGAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011720 459795975 /nfs/dbraw/zinc/79/59/75/459795975.db2.gz IXJFMBOBIQRGFF-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011720 459795981 /nfs/dbraw/zinc/79/59/81/459795981.db2.gz IXJFMBOBIQRGFF-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN(Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccc(OC)c(OC)c1 ZINC000576114327 460072595 /nfs/dbraw/zinc/07/25/95/460072595.db2.gz RZWKEHSSYPVVLX-UHFFFAOYSA-N 1 3 340.467 3.372 10 0 EGAEHO CCC1([NH+](C)C)CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000631497584 460411753 /nfs/dbraw/zinc/41/17/53/460411753.db2.gz MTYXJOPRUDSBRO-UHFFFAOYSA-N 1 3 332.492 3.086 10 0 EGAEHO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623364609 460510670 /nfs/dbraw/zinc/51/06/70/460510670.db2.gz HNAWUOHHPBLZAA-QGZVFWFLSA-N 1 3 332.492 3.179 10 0 EGAEHO CCOc1c(OC)cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1OC ZINC000623386119 460521201 /nfs/dbraw/zinc/52/12/01/460521201.db2.gz KMRWSUXIOLIZLT-OAHLLOKOSA-N 1 3 336.476 3.065 10 0 EGAEHO CC1(C)C[C@H](NCCOCCC[NH3+])c2cc(Br)ccc21 ZINC000629539349 460801318 /nfs/dbraw/zinc/80/13/18/460801318.db2.gz QABKAQDXSMNNRA-HNNXBMFYSA-N 1 3 341.293 3.127 10 0 EGAEHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(SCC(F)F)cc1 ZINC000629520307 460792555 /nfs/dbraw/zinc/79/25/55/460792555.db2.gz GBWGBEQUDGKYIT-LBPRGKRZSA-N 1 3 330.444 3.202 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000629529316 460797574 /nfs/dbraw/zinc/79/75/74/460797574.db2.gz ZGMCRPHOVSJYIK-LBPRGKRZSA-N 1 3 337.464 3.144 10 0 EGAEHO [NH3+]C1(CNCC(c2ccc(F)cc2)c2ccc(F)cc2)CCOCC1 ZINC000629652839 460847382 /nfs/dbraw/zinc/84/73/82/460847382.db2.gz BSHPSNQRTKHMPO-UHFFFAOYSA-N 1 3 346.421 3.194 10 0 EGAEHO [NH3+]CCCOCCNCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000629678816 460864126 /nfs/dbraw/zinc/86/41/26/460864126.db2.gz KTOKUSVWAMLSOS-UHFFFAOYSA-N 1 3 336.382 3.212 10 0 EGAEHO Cc1cccc(C)c1OCCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363788 461157956 /nfs/dbraw/zinc/15/79/56/461157956.db2.gz NLEOOFIYVOJKFB-QRVBRYPASA-N 1 3 332.488 3.043 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)CC[N@@H+]1C ZINC000630588499 461205821 /nfs/dbraw/zinc/20/58/21/461205821.db2.gz JBXXSDFSDVQPIS-VQTJNVASSA-N 1 3 343.515 3.019 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)CC[N@H+]1C ZINC000630588499 461205826 /nfs/dbraw/zinc/20/58/26/461205826.db2.gz JBXXSDFSDVQPIS-VQTJNVASSA-N 1 3 343.515 3.019 10 0 EGAEHO c1ccc(CN2C[C@@H](C[NH2+]CC[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713301 461392782 /nfs/dbraw/zinc/39/27/82/461392782.db2.gz LWBMBVOCCNURJN-WOJBJXKFSA-N 1 3 328.500 3.305 10 0 EGAEHO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[C@H]21 ZINC000631191930 461631276 /nfs/dbraw/zinc/63/12/76/461631276.db2.gz ISISQDGBWMXSMU-KRSZPLJZSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1cccc2c1C[C@@H]1[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)[C@H]21 ZINC000631191930 461631279 /nfs/dbraw/zinc/63/12/79/461631279.db2.gz ISISQDGBWMXSMU-KRSZPLJZSA-N 1 3 347.300 3.304 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1ccc(Br)cc1F ZINC000663504185 461675932 /nfs/dbraw/zinc/67/59/32/461675932.db2.gz XPSSCSQBPDXKQL-IAQYHMDHSA-N 1 3 331.273 3.482 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCO4)[C@@H]3C2)cc1 ZINC000639036496 461683675 /nfs/dbraw/zinc/68/36/75/461683675.db2.gz ANOKPHYDRKBVKC-BURNTYAHSA-N 1 3 328.500 3.446 10 0 EGAEHO Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479365 461725092 /nfs/dbraw/zinc/72/50/92/461725092.db2.gz DMJFOLVUZJNDBC-GHTZIAJQSA-N 1 3 338.499 3.360 10 0 EGAEHO CCCOc1cc(CNCc2ccccc2C[NH2+]C)ccc1OC ZINC000650718470 461909906 /nfs/dbraw/zinc/90/99/06/461909906.db2.gz OAGIPUONJIEYTG-UHFFFAOYSA-N 1 3 328.456 3.493 10 0 EGAEHO CCc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c2ccccc2n1 ZINC000664011665 461912611 /nfs/dbraw/zinc/91/26/11/461912611.db2.gz RQKLJIKIMAYEIY-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO CCc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c2ccccc2n1 ZINC000664011665 461912616 /nfs/dbraw/zinc/91/26/16/461912616.db2.gz RQKLJIKIMAYEIY-UHFFFAOYSA-N 1 3 339.483 3.488 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc(C3CCC3)s2)C1 ZINC000650724077 461915859 /nfs/dbraw/zinc/91/58/59/461915859.db2.gz YBUYNMXRXPUXHK-DJIMGWMZSA-N 1 3 335.517 3.271 10 0 EGAEHO Cc1c(Br)cncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000657377921 462082773 /nfs/dbraw/zinc/08/27/73/462082773.db2.gz RPJZIKAYCZDBGD-GOOCMWNKSA-N 1 3 338.293 3.257 10 0 EGAEHO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657596374 462196999 /nfs/dbraw/zinc/19/69/99/462196999.db2.gz VSFBCGXPCFWPRT-ZAVKOYKVSA-N 1 3 336.479 3.446 10 0 EGAEHO C[C@@H]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664188 462220525 /nfs/dbraw/zinc/22/05/25/462220525.db2.gz IFCVVTFBFAXLHG-YLJYHZDGSA-N 1 3 345.531 3.264 10 0 EGAEHO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648739619 462254548 /nfs/dbraw/zinc/25/45/48/462254548.db2.gz GJSSLVRUQFUSMX-UYAOXDASSA-N 1 3 334.504 3.168 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667821205 462278667 /nfs/dbraw/zinc/27/86/67/462278667.db2.gz XSBHSLCOWOQKSZ-PZJWPPBQSA-N 1 3 344.499 3.064 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677526 462301184 /nfs/dbraw/zinc/30/11/84/462301184.db2.gz LBPUGMNOTWSAFZ-XJKSGUPXSA-N 1 3 339.886 3.082 10 0 EGAEHO C[C@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1cc2cnccc2o1 ZINC000657864067 462301321 /nfs/dbraw/zinc/30/13/21/462301321.db2.gz NRGQNHYQGUKRRL-HNNXBMFYSA-N 1 3 342.487 3.037 10 0 EGAEHO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000651752581 462325483 /nfs/dbraw/zinc/32/54/83/462325483.db2.gz LQFBKLGQUVXRLS-QUCCMNQESA-N 1 3 331.504 3.036 10 0 EGAEHO CC[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658071195 462367788 /nfs/dbraw/zinc/36/77/88/462367788.db2.gz VTCAHGZGZQTWED-SFHVURJKSA-N 1 3 335.467 3.152 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000658109332 462389929 /nfs/dbraw/zinc/38/99/29/462389929.db2.gz WDBXVVBGFOEOTL-HKUYNNGSSA-N 1 3 345.531 3.295 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319431 462474760 /nfs/dbraw/zinc/47/47/60/462474760.db2.gz AVNIYSHWDUPZND-FXAWDEMLSA-N 1 3 338.499 3.373 10 0 EGAEHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339081 462480767 /nfs/dbraw/zinc/48/07/67/462480767.db2.gz PUOBONVYCNWFPJ-MJGOQNOKSA-N 1 3 349.563 3.445 10 0 EGAEHO C[C@@H](O)[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361148 462490235 /nfs/dbraw/zinc/49/02/35/462490235.db2.gz KWTAOAPDJWMGPB-FVJLSDCUSA-N 1 3 342.483 3.400 10 0 EGAEHO CCC[NH+]1CCC(N[C@@H]2CCCN(c3cccc(OC)c3)C2)CC1 ZINC000128742032 546782502 /nfs/dbraw/zinc/78/25/02/546782502.db2.gz VFZRVWOSPHHGCP-GOSISDBHSA-N 1 3 331.504 3.128 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3cnccc32)C[C@H](C)O1 ZINC000181505881 547068438 /nfs/dbraw/zinc/06/84/38/547068438.db2.gz DJJSBLZENQRTRD-CALCHBBNSA-N 1 3 327.472 3.214 10 0 EGAEHO COCC[C@@H](C)N1CCC[C@@]2(CCC[N@@H+]([C@@H](C)CCOC)C2)C1 ZINC000351994855 547678965 /nfs/dbraw/zinc/67/89/65/547678965.db2.gz LPFKNHILVCMTLP-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO COCC[C@@H](C)N1CCC[C@@]2(CCC[N@H+]([C@@H](C)CCOC)C2)C1 ZINC000351994855 547678971 /nfs/dbraw/zinc/67/89/71/547678971.db2.gz LPFKNHILVCMTLP-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO COCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCN([C@@H](C)CCOC)C2)C1 ZINC000351994855 547678975 /nfs/dbraw/zinc/67/89/75/547678975.db2.gz LPFKNHILVCMTLP-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO COCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCN([C@@H](C)CCOC)C2)C1 ZINC000351994855 547678980 /nfs/dbraw/zinc/67/89/80/547678980.db2.gz LPFKNHILVCMTLP-CEXWTWQISA-N 1 3 326.525 3.014 10 0 EGAEHO CC(C)C[NH+]1CCC(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000118973653 1293248654 /nfs/dbraw/zinc/24/86/54/1293248654.db2.gz IMNAGXRZQUEQMN-KRWDZBQOSA-N 1 3 339.524 3.096 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000123281450 1293439350 /nfs/dbraw/zinc/43/93/50/1293439350.db2.gz DGKIFEWUBHQDIF-ZWKOTPCHSA-N 1 3 331.504 3.361 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000123281450 1293439353 /nfs/dbraw/zinc/43/93/53/1293439353.db2.gz DGKIFEWUBHQDIF-ZWKOTPCHSA-N 1 3 331.504 3.361 10 0 EGAEHO c1cncc(CN2CCC([C@H]3CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC000169749229 1294370568 /nfs/dbraw/zinc/37/05/68/1294370568.db2.gz BOTNQWURTUWDOI-NRFANRHFSA-N 1 3 336.483 3.211 10 0 EGAEHO c1cncc(CN2CCC([C@H]3CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC000169749229 1294370570 /nfs/dbraw/zinc/37/05/70/1294370570.db2.gz BOTNQWURTUWDOI-NRFANRHFSA-N 1 3 336.483 3.211 10 0 EGAEHO CC(C)CN1CCC([NH2+]CCCCNC(=O)OC(C)(C)C)CC1 ZINC000397993344 1297708975 /nfs/dbraw/zinc/70/89/75/1297708975.db2.gz YBGNTJBQLIJXFU-UHFFFAOYSA-N 1 3 327.513 3.001 10 0 EGAEHO C[C@@H]1CCOCCN1CC(C[N@@H+]1CCOCC[C@H]1C)C1CCCC1 ZINC000878373485 1299954339 /nfs/dbraw/zinc/95/43/39/1299954339.db2.gz MMAZKFHSHGDEMV-QZTJIDSGSA-N 1 3 338.536 3.014 10 0 EGAEHO C[C@@H]1CCOCCN1CC(C[N@H+]1CCOCC[C@H]1C)C1CCCC1 ZINC000878373485 1299954352 /nfs/dbraw/zinc/95/43/52/1299954352.db2.gz MMAZKFHSHGDEMV-QZTJIDSGSA-N 1 3 338.536 3.014 10 0 EGAEHO COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000894308569 1306334773 /nfs/dbraw/zinc/33/47/73/1306334773.db2.gz RPLUOQZQBTWQSP-GOOCMWNKSA-N 1 3 341.455 3.059 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1(C)C ZINC000858133701 1328691971 /nfs/dbraw/zinc/69/19/71/1328691971.db2.gz VJBJBYAWXKFLOE-WFASDCNBSA-N 1 3 331.287 3.489 10 0 EGAEHO CN1CCC(CNCc2nc(C(C)(C)C)co2)([NH+]2CCCCC2)CC1 ZINC000921790516 1322398920 /nfs/dbraw/zinc/39/89/20/1322398920.db2.gz BCWCALLZUURKHV-UHFFFAOYSA-N 1 3 348.535 3.012 10 0 EGAEHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc3ccccc3o1)C2 ZINC000922388033 1322516079 /nfs/dbraw/zinc/51/60/79/1322516079.db2.gz NQFWOTWGGNBOJK-LFGUQSLTSA-N 1 3 328.456 3.002 10 0 EGAEHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc3ccccc3o1)C2 ZINC000922388033 1322516082 /nfs/dbraw/zinc/51/60/82/1322516082.db2.gz NQFWOTWGGNBOJK-LFGUQSLTSA-N 1 3 328.456 3.002 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)CN2CCCCC2)n(C)n1 ZINC000924722261 1323133461 /nfs/dbraw/zinc/13/34/61/1323133461.db2.gz QQNZVBPZJRAVMN-QRFRQXIXSA-N 1 3 332.536 3.151 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)n2)[C@@H](C)C1 ZINC000925076888 1323267894 /nfs/dbraw/zinc/26/78/94/1323267894.db2.gz AGRBVKQRDLAJFX-KSZLIROESA-N 1 3 349.519 3.268 10 0 EGAEHO CCOc1c(OC)cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533986 1325196829 /nfs/dbraw/zinc/19/68/29/1325196829.db2.gz HUYOEOAJXNPRRU-LSDHHAIUSA-N 1 3 336.476 3.098 10 0 EGAEHO CCOCCOCc1cccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548996 1325203252 /nfs/dbraw/zinc/20/32/52/1325203252.db2.gz WBHODQCPVQCNOO-RBUKOAKNSA-N 1 3 334.504 3.235 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925551849 1325204407 /nfs/dbraw/zinc/20/44/07/1325204407.db2.gz UFQGNZVYBUDNCA-KGLIPLIRSA-N 1 3 337.895 3.473 10 0 EGAEHO FC(F)(F)c1ccnc(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925678731 1325259212 /nfs/dbraw/zinc/25/92/12/1325259212.db2.gz WZMVJVQGDCFMOX-DLBZAZTESA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925678731 1325259216 /nfs/dbraw/zinc/25/92/16/1325259216.db2.gz WZMVJVQGDCFMOX-DLBZAZTESA-N 1 3 341.421 3.401 10 0 EGAEHO Fc1ccc([C@@H](NCCCCCC2CC[NH2+]CC2)c2nnc[nH]2)cc1 ZINC000925807044 1325309997 /nfs/dbraw/zinc/30/99/97/1325309997.db2.gz HSKNYPPQSUUHAS-GOSISDBHSA-N 1 3 345.466 3.183 10 0 EGAEHO COc1ccsc1[C@H](C)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816230 1325314096 /nfs/dbraw/zinc/31/40/96/1325314096.db2.gz HAAXMASNIXYVHI-HNNXBMFYSA-N 1 3 345.512 3.013 10 0 EGAEHO CC(C)CC[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850103 1325329213 /nfs/dbraw/zinc/32/92/13/1325329213.db2.gz NBWWKXIHIPDIFH-SJORKVTESA-N 1 3 334.460 3.032 10 0 EGAEHO Cc1ccc2cc([C@@H](C)NC[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850731 1325329434 /nfs/dbraw/zinc/32/94/34/1325329434.db2.gz PPYWGECWBRJYGC-GDBMZVCRSA-N 1 3 342.439 3.077 10 0 EGAEHO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926693774 1327670292 /nfs/dbraw/zinc/67/02/92/1327670292.db2.gz PXILMCZQKMFEFO-PMACEKPBSA-N 1 3 333.520 3.213 10 0 EGAEHO C[C@H](NCc1ccc2oc(=O)n(C)c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926766035 1327706576 /nfs/dbraw/zinc/70/65/76/1327706576.db2.gz OOZKPJUMBANMMP-AWEZNQCLSA-N 1 3 339.439 3.044 10 0 EGAEHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cnc2c(cnn2C)c1 ZINC000865413230 1329693857 /nfs/dbraw/zinc/69/38/57/1329693857.db2.gz AGGJSNLGVYQFFL-UHFFFAOYSA-N 1 3 337.471 3.098 10 0 EGAEHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cnc2c(cnn2C)c1 ZINC000865413230 1329693859 /nfs/dbraw/zinc/69/38/59/1329693859.db2.gz AGGJSNLGVYQFFL-UHFFFAOYSA-N 1 3 337.471 3.098 10 0 EGAEHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001125037297 1372749011 /nfs/dbraw/zinc/74/90/11/1372749011.db2.gz UWDJSSNTXDHGLR-LJQANCHMSA-N 1 3 343.531 3.025 10 0 EGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc(Cl)c1OC ZINC001331496474 1389771459 /nfs/dbraw/zinc/77/14/59/1389771459.db2.gz AWOICPILFGJZLJ-CYBMUJFWSA-N 1 3 326.868 3.320 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171124 1387306313 /nfs/dbraw/zinc/30/63/13/1387306313.db2.gz UEPSILLZTBKQTJ-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001324533910 1387660668 /nfs/dbraw/zinc/66/06/68/1387660668.db2.gz VQOPYXYJEVRNEP-AABGKKOBSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001324533910 1387660675 /nfs/dbraw/zinc/66/06/75/1387660675.db2.gz VQOPYXYJEVRNEP-AABGKKOBSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788785 1387773014 /nfs/dbraw/zinc/77/30/14/1387773014.db2.gz LETLYAVIUHKEJY-RXVVDRJESA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266232924 1377238905 /nfs/dbraw/zinc/23/89/05/1377238905.db2.gz DEDUHUJMXKLWGR-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266232924 1377238906 /nfs/dbraw/zinc/23/89/06/1377238906.db2.gz DEDUHUJMXKLWGR-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC001135926521 1377264652 /nfs/dbraw/zinc/26/46/52/1377264652.db2.gz LCRPBJKRQNFVQD-UFYCRDLUSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001269178045 1377542169 /nfs/dbraw/zinc/54/21/69/1377542169.db2.gz XLOARSGYBBQLBW-ASIGSXEYSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001269178045 1377542170 /nfs/dbraw/zinc/54/21/70/1377542170.db2.gz XLOARSGYBBQLBW-ASIGSXEYSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)c1ccccc1 ZINC001276634338 1378182660 /nfs/dbraw/zinc/18/26/60/1378182660.db2.gz SMNQADDZIIAYFU-VQIMIIECSA-N 1 3 343.515 3.106 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001277286453 1378215610 /nfs/dbraw/zinc/21/56/10/1378215610.db2.gz ZSUGPKWWZYSDKP-FQEVSTJZSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001277286453 1378215621 /nfs/dbraw/zinc/21/56/21/1378215621.db2.gz ZSUGPKWWZYSDKP-FQEVSTJZSA-N 1 3 349.563 3.079 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)C ZINC001281968890 1378465720 /nfs/dbraw/zinc/46/57/20/1378465720.db2.gz QZHNOVLUPKJTAM-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)C ZINC001281968890 1378465722 /nfs/dbraw/zinc/46/57/22/1378465722.db2.gz QZHNOVLUPKJTAM-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001283111080 1378735422 /nfs/dbraw/zinc/73/54/22/1378735422.db2.gz NGHGBLXNZAOWNT-XSLAGTTESA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCC1 ZINC001328413833 1388740571 /nfs/dbraw/zinc/74/05/71/1388740571.db2.gz HKKCZSQVXAMJGQ-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291944841 1382162488 /nfs/dbraw/zinc/16/24/88/1382162488.db2.gz FGEWALDSKJCWEG-BJLQDIEVSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001291944841 1382162489 /nfs/dbraw/zinc/16/24/89/1382162489.db2.gz FGEWALDSKJCWEG-BJLQDIEVSA-N 1 3 343.515 3.012 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC001316632314 1384495452 /nfs/dbraw/zinc/49/54/52/1384495452.db2.gz DRJXCSYQBUYSMB-MISYRCLQSA-N 1 3 345.531 3.135 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001316650844 1384505374 /nfs/dbraw/zinc/50/53/74/1384505374.db2.gz ZOBVNIKHAJXQHC-ZWKOTPCHSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)C[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001316812596 1384612163 /nfs/dbraw/zinc/61/21/63/1384612163.db2.gz ZEZRZAHEXCETLE-KRWDZBQOSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)C[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC(C)(C)C1 ZINC001316812596 1384612166 /nfs/dbraw/zinc/61/21/66/1384612166.db2.gz ZEZRZAHEXCETLE-KRWDZBQOSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001316831063 1384624175 /nfs/dbraw/zinc/62/41/75/1384624175.db2.gz UXDLXURQAKQIGC-PMACEKPBSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001316831063 1384624178 /nfs/dbraw/zinc/62/41/78/1384624178.db2.gz UXDLXURQAKQIGC-PMACEKPBSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001329041237 1388941897 /nfs/dbraw/zinc/94/18/97/1388941897.db2.gz ZPSZRPSPZRHHDC-HOTGVXAUSA-N 1 3 349.494 3.073 10 0 EGAEHO CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317088028 1384849820 /nfs/dbraw/zinc/84/98/20/1384849820.db2.gz OXQUBAWYDDIWQI-BXWFABGCSA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1)N(C)C ZINC001317124122 1384882292 /nfs/dbraw/zinc/88/22/92/1384882292.db2.gz AGTDKVMOHJFTFM-GEALJGNFSA-N 1 3 345.531 3.448 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001317149474 1384916562 /nfs/dbraw/zinc/91/65/62/1384916562.db2.gz IUKNMRKPBWIAGQ-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001317220907 1385001411 /nfs/dbraw/zinc/00/14/11/1385001411.db2.gz OCUPRUJEAXGBMN-ABHNRTSZSA-N 1 3 339.568 3.416 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534671 1385264746 /nfs/dbraw/zinc/26/47/46/1385264746.db2.gz DBUWGQAJBNTPAK-RBUKOAKNSA-N 1 3 345.531 3.143 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534671 1385264748 /nfs/dbraw/zinc/26/47/48/1385264748.db2.gz DBUWGQAJBNTPAK-RBUKOAKNSA-N 1 3 345.531 3.143 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317810802 1385509115 /nfs/dbraw/zinc/50/91/15/1385509115.db2.gz FRUJTSQSBNDVJT-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317810802 1385509120 /nfs/dbraw/zinc/50/91/20/1385509120.db2.gz FRUJTSQSBNDVJT-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317993786 1385605050 /nfs/dbraw/zinc/60/50/50/1385605050.db2.gz CNTNPZGRBZMZLF-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317993786 1385605054 /nfs/dbraw/zinc/60/50/54/1385605054.db2.gz CNTNPZGRBZMZLF-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1)[NH+](CC)CC ZINC001318217285 1385631096 /nfs/dbraw/zinc/63/10/96/1385631096.db2.gz ZCNASYOKUQVWPD-UFYCRDLUSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001318583215 1385772134 /nfs/dbraw/zinc/77/21/34/1385772134.db2.gz ZDONTBHKDOHVEV-ZWKOTPCHSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001318670166 1385828235 /nfs/dbraw/zinc/82/82/35/1385828235.db2.gz HSTXOFIDIKYPOX-ROUUACIJSA-N 1 3 347.547 3.378 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001318976942 1385905952 /nfs/dbraw/zinc/90/59/52/1385905952.db2.gz SFQUPICRNLVUAI-MPFJMEAESA-N 1 3 337.552 3.338 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CCC2CCCC2)CC1 ZINC001319046089 1385944529 /nfs/dbraw/zinc/94/45/29/1385944529.db2.gz YDPYCCQVYVBFOF-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001319688233 1386252782 /nfs/dbraw/zinc/25/27/82/1386252782.db2.gz ATEVHBVPMZYSIF-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)c1noc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001319767358 1386287084 /nfs/dbraw/zinc/28/70/84/1386287084.db2.gz MIKFQPYQCCHTBT-FUHWJXTLSA-N 1 3 342.487 3.236 10 0 EGAEHO CC(C)c1noc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001319767358 1386287088 /nfs/dbraw/zinc/28/70/88/1386287088.db2.gz MIKFQPYQCCHTBT-FUHWJXTLSA-N 1 3 342.487 3.236 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775277 1386291419 /nfs/dbraw/zinc/29/14/19/1386291419.db2.gz SYUZWVCAEOMNBY-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775281 1386291505 /nfs/dbraw/zinc/29/15/05/1386291505.db2.gz SYUZWVCAEOMNBY-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC(C)CC1 ZINC001319919500 1386391407 /nfs/dbraw/zinc/39/14/07/1386391407.db2.gz VSSUACDAGWVLLX-DAWZGUTISA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)cc1 ZINC001321188950 1386835839 /nfs/dbraw/zinc/83/58/39/1386835839.db2.gz KQGGKUPDLNKWSW-YWFTZVROSA-N 1 3 343.515 3.227 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC/C=C/C[NH2+]CC2=CCCCC2)c1 ZINC001321415125 1386897538 /nfs/dbraw/zinc/89/75/38/1386897538.db2.gz CGYKYEBFIYBSQG-VOTSOKGWSA-N 1 3 341.499 3.124 10 0 EGAEHO CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001329255769 1389036540 /nfs/dbraw/zinc/03/65/40/1389036540.db2.gz MUKSSXLYUJFTOM-AATRIKPKSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001698715134 1406358155 /nfs/dbraw/zinc/35/81/55/1406358155.db2.gz RNMYWUNWZSRRPO-MXVIHJGJSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001331576254 1389808828 /nfs/dbraw/zinc/80/88/28/1389808828.db2.gz NQJAIYGWCNZJFS-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001331643526 1389842567 /nfs/dbraw/zinc/84/25/67/1389842567.db2.gz IOEWEXGAZHFRMJ-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001331820260 1389879699 /nfs/dbraw/zinc/87/96/99/1389879699.db2.gz GSFJKRUYPRKODQ-PNHOKKKMSA-N 1 3 342.462 3.084 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001332050520 1389958936 /nfs/dbraw/zinc/95/89/36/1389958936.db2.gz PUXNYUOIXNUJLT-RTBURBONSA-N 1 3 345.531 3.033 10 0 EGAEHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)[C@H]2C1)C1CCC1 ZINC001332141750 1390005467 /nfs/dbraw/zinc/00/54/67/1390005467.db2.gz SSWDWFYGQXVBFG-WDSOQIARSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)[C@H]2C1)C1CCC1 ZINC001332141751 1390005536 /nfs/dbraw/zinc/00/55/36/1390005536.db2.gz SSWDWFYGQXVBFG-YTQUADARSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001332343532 1390092223 /nfs/dbraw/zinc/09/22/23/1390092223.db2.gz ZBYCTCLFBWYGQR-FXAWDEMLSA-N 1 3 345.531 3.282 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)Cc1c(C)cccc1C)C(C)C)N(C)C ZINC001332710953 1390163841 /nfs/dbraw/zinc/16/38/41/1390163841.db2.gz NNIPXDMDZCYREK-HXUWFJFHSA-N 1 3 347.547 3.312 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)Cc1c(C)cccc1C)C(C)C)N(C)C ZINC001332710953 1390163845 /nfs/dbraw/zinc/16/38/45/1390163845.db2.gz NNIPXDMDZCYREK-HXUWFJFHSA-N 1 3 347.547 3.312 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786681 1390188281 /nfs/dbraw/zinc/18/82/81/1390188281.db2.gz CWLMXTYFKVMSSY-OALUTQOASA-N 1 3 349.563 3.480 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001332984673 1390229788 /nfs/dbraw/zinc/22/97/88/1390229788.db2.gz GOKWIGYUUIQSRQ-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479821022 1392411592 /nfs/dbraw/zinc/41/15/92/1392411592.db2.gz DHIDGWQKMIDHBV-XLIONFOSSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001698860191 1406570188 /nfs/dbraw/zinc/57/01/88/1406570188.db2.gz HQFSAGBYAMRWRP-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001480099733 1392584630 /nfs/dbraw/zinc/58/46/30/1392584630.db2.gz IZDYCXXNFSFFKW-OTWHNJEPSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001480102996 1392586488 /nfs/dbraw/zinc/58/64/88/1392586488.db2.gz DMHZFZUAUCGXJX-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001480233594 1392629951 /nfs/dbraw/zinc/62/99/51/1392629951.db2.gz IHWVQRWZEAMMHI-FFZOFVMBSA-N 1 3 345.531 3.450 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001480295306 1392663829 /nfs/dbraw/zinc/66/38/29/1392663829.db2.gz ZQQXSTPXDPKDMM-ZWKOTPCHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001480384823 1392729191 /nfs/dbraw/zinc/72/91/91/1392729191.db2.gz ATHAESMGZWEWPV-AZUAARDMSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001480384823 1392729196 /nfs/dbraw/zinc/72/91/96/1392729196.db2.gz ATHAESMGZWEWPV-AZUAARDMSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001698872979 1406593640 /nfs/dbraw/zinc/59/36/40/1406593640.db2.gz HCVJECPCJOMANP-IEBWSBKVSA-N 1 3 349.563 3.029 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709843 1392872179 /nfs/dbraw/zinc/87/21/79/1392872179.db2.gz GWIPMGZUKAESCQ-OALUTQOASA-N 1 3 337.552 3.316 10 0 EGAEHO CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001480830431 1392970577 /nfs/dbraw/zinc/97/05/77/1392970577.db2.gz VZUIVTMSRJZMET-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001480830431 1392970579 /nfs/dbraw/zinc/97/05/79/1392970579.db2.gz VZUIVTMSRJZMET-OALUTQOASA-N 1 3 337.552 3.410 10 0 EGAEHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCN(CC2=CCCCC2)C2CC2)C1 ZINC001481194392 1393147642 /nfs/dbraw/zinc/14/76/42/1393147642.db2.gz HFVQIMUDFJBBCP-QUCCMNQESA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001698946232 1406686062 /nfs/dbraw/zinc/68/60/62/1406686062.db2.gz OFDGSETUGLWRRO-FXAWDEMLSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001491109515 1394431198 /nfs/dbraw/zinc/43/11/98/1394431198.db2.gz IEONOEANIJXYJB-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCCC3)C2)CCC1 ZINC001491109515 1394431200 /nfs/dbraw/zinc/43/12/00/1394431200.db2.gz IEONOEANIJXYJB-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001491190266 1394464463 /nfs/dbraw/zinc/46/44/63/1394464463.db2.gz JVWIHUGAVVBAML-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812037 1394541157 /nfs/dbraw/zinc/54/11/57/1394541157.db2.gz ZHHCRLRUFXIOCJ-RBUKOAKNSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001481838479 1394552769 /nfs/dbraw/zinc/55/27/69/1394552769.db2.gz CHSZXVINERWYIY-IBGZPJMESA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001481990493 1394651469 /nfs/dbraw/zinc/65/14/69/1394651469.db2.gz AORGGRINQZGOLA-HXUWFJFHSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001482020359 1394676986 /nfs/dbraw/zinc/67/69/86/1394676986.db2.gz CDRFHPOLSBJXDS-BRWVUGGUSA-N 1 3 325.541 3.026 10 0 EGAEHO CC(C)[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962373 1406717323 /nfs/dbraw/zinc/71/73/23/1406717323.db2.gz PRUYPBQNAHFLHH-QZTJIDSGSA-N 1 3 337.552 3.026 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001482238098 1394834715 /nfs/dbraw/zinc/83/47/15/1394834715.db2.gz GNTLULUYGAFWAY-IBGZPJMESA-N 1 3 343.515 3.033 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057937 1395220552 /nfs/dbraw/zinc/22/05/52/1395220552.db2.gz MWURTMWGMTUIGB-FPOVZHCZSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057937 1395220554 /nfs/dbraw/zinc/22/05/54/1395220554.db2.gz MWURTMWGMTUIGB-FPOVZHCZSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C)C1)N(CC)CC ZINC001484057937 1395220557 /nfs/dbraw/zinc/22/05/57/1395220557.db2.gz MWURTMWGMTUIGB-FPOVZHCZSA-N 1 3 345.531 3.196 10 0 EGAEHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001484116270 1395260324 /nfs/dbraw/zinc/26/03/24/1395260324.db2.gz YQWRULWQTWADAS-OAQYLSRUSA-N 1 3 349.563 3.293 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001484637292 1395457040 /nfs/dbraw/zinc/45/70/40/1395457040.db2.gz XVPUCHGEQMVUOI-SFHVURJKSA-N 1 3 347.547 3.070 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1)N(C)C ZINC001485455808 1395925605 /nfs/dbraw/zinc/92/56/05/1395925605.db2.gz WNKCPIPGJGMFHQ-SFHVURJKSA-N 1 3 349.494 3.075 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586758 1396063704 /nfs/dbraw/zinc/06/37/04/1396063704.db2.gz QKHSRKSPYVOHMD-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586758 1396063709 /nfs/dbraw/zinc/06/37/09/1396063709.db2.gz QKHSRKSPYVOHMD-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001486222180 1396184452 /nfs/dbraw/zinc/18/44/52/1396184452.db2.gz XNPACCAPJPKYPI-AZUAARDMSA-N 1 3 345.531 3.018 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242511 1396188121 /nfs/dbraw/zinc/18/81/21/1396188121.db2.gz LQYIPBFJELEPTN-IEBWSBKVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001494083061 1396357309 /nfs/dbraw/zinc/35/73/09/1396357309.db2.gz LUNMUVQYZKUFEU-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001494083061 1396357312 /nfs/dbraw/zinc/35/73/12/1396357312.db2.gz LUNMUVQYZKUFEU-IRXDYDNUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001494146439 1396382430 /nfs/dbraw/zinc/38/24/30/1396382430.db2.gz RRIZWMJOJUJFMW-UXHICEINSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC001494146439 1396382438 /nfs/dbraw/zinc/38/24/38/1396382438.db2.gz RRIZWMJOJUJFMW-UXHICEINSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001494214271 1396403840 /nfs/dbraw/zinc/40/38/40/1396403840.db2.gz HVABCDSWRXDNQA-SFHVURJKSA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001494214271 1396403845 /nfs/dbraw/zinc/40/38/45/1396403845.db2.gz HVABCDSWRXDNQA-SFHVURJKSA-N 1 3 345.531 3.258 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@@H]1CC ZINC001689193590 1396968006 /nfs/dbraw/zinc/96/80/06/1396968006.db2.gz AQDGYHKAKFNSDA-RBUKOAKNSA-N 1 3 349.494 3.027 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@@H]1CC ZINC001689193590 1396968007 /nfs/dbraw/zinc/96/80/07/1396968007.db2.gz AQDGYHKAKFNSDA-RBUKOAKNSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001689197967 1396969004 /nfs/dbraw/zinc/96/90/04/1396969004.db2.gz KUVACJZKEWGPIV-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)CC[N@H+]1CC1CCC1 ZINC001689197967 1396969007 /nfs/dbraw/zinc/96/90/07/1396969007.db2.gz KUVACJZKEWGPIV-ZCNNSNEGSA-N 1 3 349.563 3.266 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001689890695 1404187978 /nfs/dbraw/zinc/18/79/78/1404187978.db2.gz CGDGRSFTBHLOJX-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001689890695 1404187981 /nfs/dbraw/zinc/18/79/81/1404187981.db2.gz CGDGRSFTBHLOJX-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123093 1404317089 /nfs/dbraw/zinc/31/70/89/1404317089.db2.gz IPEXCDCVOLQSMC-RBUKOAKNSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690194696 1404401232 /nfs/dbraw/zinc/40/12/32/1404401232.db2.gz MCIUCYYZFMROEH-GLCUZYPYSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001690194696 1404401235 /nfs/dbraw/zinc/40/12/35/1404401235.db2.gz MCIUCYYZFMROEH-GLCUZYPYSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690199331 1404410537 /nfs/dbraw/zinc/41/05/37/1404410537.db2.gz PBTCWEJBJUCPSH-RLWBPELLSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001690199331 1404410538 /nfs/dbraw/zinc/41/05/38/1404410538.db2.gz PBTCWEJBJUCPSH-RLWBPELLSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690215154 1404423414 /nfs/dbraw/zinc/42/34/14/1404423414.db2.gz DJIFNZHIGRWWCP-ZGXWSNOMSA-N 1 3 349.563 3.362 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001690381324 1404513319 /nfs/dbraw/zinc/51/33/19/1404513319.db2.gz LYNCNZSRVHEYRS-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001690381324 1404513326 /nfs/dbraw/zinc/51/33/26/1404513326.db2.gz LYNCNZSRVHEYRS-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001690410096 1404545070 /nfs/dbraw/zinc/54/50/70/1404545070.db2.gz ZWDHQPSCTBTNEI-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001690788119 1404734540 /nfs/dbraw/zinc/73/45/40/1404734540.db2.gz OAUHYRUMSHJCHK-ZWKOTPCHSA-N 1 3 346.519 3.248 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691428084 1405262456 /nfs/dbraw/zinc/26/24/56/1405262456.db2.gz IVGOLPZMYHPPJO-SXLOBPIMSA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691428084 1405262464 /nfs/dbraw/zinc/26/24/64/1405262464.db2.gz IVGOLPZMYHPPJO-SXLOBPIMSA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C)cc1 ZINC001691623380 1405362623 /nfs/dbraw/zinc/36/26/23/1405362623.db2.gz UYMVJBSSDSWGEP-KRWDZBQOSA-N 1 3 333.520 3.259 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001691636924 1405372639 /nfs/dbraw/zinc/37/26/39/1405372639.db2.gz PHSLRDQDADGFAD-AZUAARDMSA-N 1 3 345.531 3.449 10 0 EGAEHO CC(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001691728338 1405452034 /nfs/dbraw/zinc/45/20/34/1405452034.db2.gz QGKMKEIYXXOXAA-QZTJIDSGSA-N 1 3 339.568 3.227 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)N(CC)CC ZINC001691831958 1405545865 /nfs/dbraw/zinc/54/58/65/1405545865.db2.gz KRXYGVCBVIVNFT-ZCNNSNEGSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)N(CC)CC ZINC001691831958 1405545868 /nfs/dbraw/zinc/54/58/68/1405545868.db2.gz KRXYGVCBVIVNFT-ZCNNSNEGSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001692008285 1405726800 /nfs/dbraw/zinc/72/68/00/1405726800.db2.gz DIUXPUIEPYINIA-FUHWJXTLSA-N 1 3 348.535 3.385 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001692236604 1405863399 /nfs/dbraw/zinc/86/33/99/1405863399.db2.gz HVXZMYUSUVGBBK-CEXWTWQISA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@H]1C ZINC001692236604 1405863410 /nfs/dbraw/zinc/86/34/10/1405863410.db2.gz HVXZMYUSUVGBBK-CEXWTWQISA-N 1 3 337.552 3.266 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CCCCCF)C2)c1 ZINC001732176080 1428422074 /nfs/dbraw/zinc/42/20/74/1428422074.db2.gz PRQMZZMKROOTBR-LJQANCHMSA-N 1 3 349.494 3.034 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCCCCF)C2)c1 ZINC001732176080 1428422076 /nfs/dbraw/zinc/42/20/76/1428422076.db2.gz PRQMZZMKROOTBR-LJQANCHMSA-N 1 3 349.494 3.034 10 0 EGAEHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CCC(C)(C)C)CCCC[C@@H]1C ZINC001732261884 1428502286 /nfs/dbraw/zinc/50/22/86/1428502286.db2.gz OZNAEWVPIRRYRY-PXNSSMCTSA-N 1 3 339.568 3.419 10 0 EGAEHO C[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)N1CCCCCC1 ZINC001732478374 1428604175 /nfs/dbraw/zinc/60/41/75/1428604175.db2.gz UHLWIBGUIZIBNK-FXAWDEMLSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001732494525 1428616830 /nfs/dbraw/zinc/61/68/30/1428616830.db2.gz JSPHHZQTVVBAOY-PKOBYXMFSA-N 1 3 337.552 3.125 10 0 EGAEHO CCc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001699161216 1412545048 /nfs/dbraw/zinc/54/50/48/1412545048.db2.gz VPCFYFIVQABUNH-PXNSSMCTSA-N 1 3 345.531 3.108 10 0 EGAEHO CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@H]2CCCCN2CC)c1 ZINC001699220118 1412584489 /nfs/dbraw/zinc/58/44/89/1412584489.db2.gz MOOKEXBHBBTKAF-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)cc1 ZINC001699236452 1412592754 /nfs/dbraw/zinc/59/27/54/1412592754.db2.gz KQGGKUPDLNKWSW-YWMZBHJASA-N 1 3 343.515 3.227 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001699345922 1412654811 /nfs/dbraw/zinc/65/48/11/1412654811.db2.gz RKMHTIJEWUUTFE-IHHMQQGQSA-N 1 3 333.520 3.013 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876440 1413335138 /nfs/dbraw/zinc/33/51/38/1413335138.db2.gz YATJNBUEISSIIG-KKHYBRAUSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876440 1413335145 /nfs/dbraw/zinc/33/51/45/1413335145.db2.gz YATJNBUEISSIIG-KKHYBRAUSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317268 1413778385 /nfs/dbraw/zinc/77/83/85/1413778385.db2.gz FVUICBGXAOZBKD-IRXDYDNUSA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCCCF ZINC001700317268 1413778388 /nfs/dbraw/zinc/77/83/88/1413778388.db2.gz FVUICBGXAOZBKD-IRXDYDNUSA-N 1 3 343.531 3.073 10 0 EGAEHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001700323944 1413791787 /nfs/dbraw/zinc/79/17/87/1413791787.db2.gz PHXOBKSZZFTJDT-AZUAARDMSA-N 1 3 345.531 3.113 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001700323944 1413791788 /nfs/dbraw/zinc/79/17/88/1413791788.db2.gz PHXOBKSZZFTJDT-AZUAARDMSA-N 1 3 345.531 3.113 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001700362473 1413879766 /nfs/dbraw/zinc/87/97/66/1413879766.db2.gz KZDLPJHXRUZKHD-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001700362473 1413879770 /nfs/dbraw/zinc/87/97/70/1413879770.db2.gz KZDLPJHXRUZKHD-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001700780638 1414462952 /nfs/dbraw/zinc/46/29/52/1414462952.db2.gz OBNYMRKXRCIGGS-ROUUACIJSA-N 1 3 333.520 3.141 10 0 EGAEHO CCC(CC)C[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732798418 1428978361 /nfs/dbraw/zinc/97/83/61/1428978361.db2.gz VFVTVUROCNSWQX-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)CN(C)C(C)C ZINC001732812099 1428990046 /nfs/dbraw/zinc/99/00/46/1428990046.db2.gz KTFZIZVSQTWJCD-OAHLLOKOSA-N 1 3 339.911 3.179 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)N1CCCCCC1 ZINC001707070719 1417183127 /nfs/dbraw/zinc/18/31/27/1417183127.db2.gz DSSQGBXBWAJGPR-KURKYZTESA-N 1 3 337.552 3.172 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713169958 1417743110 /nfs/dbraw/zinc/74/31/10/1417743110.db2.gz PHZSIQRPHVFUOP-YSNLUETFSA-N 1 3 335.536 3.233 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220196 1417800899 /nfs/dbraw/zinc/80/08/99/1417800899.db2.gz GVLTYQOPSUXEAB-JTHGQSKGSA-N 1 3 337.552 3.149 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220196 1417800904 /nfs/dbraw/zinc/80/09/04/1417800904.db2.gz GVLTYQOPSUXEAB-JTHGQSKGSA-N 1 3 337.552 3.149 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001713253568 1417848458 /nfs/dbraw/zinc/84/84/58/1417848458.db2.gz SQKALEFXBBPVQM-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001713253568 1417848463 /nfs/dbraw/zinc/84/84/63/1417848463.db2.gz SQKALEFXBBPVQM-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001733065837 1429219614 /nfs/dbraw/zinc/21/96/14/1429219614.db2.gz JRKKFHNJTZGKNG-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001733065837 1429219622 /nfs/dbraw/zinc/21/96/22/1429219622.db2.gz JRKKFHNJTZGKNG-KRWDZBQOSA-N 1 3 333.520 3.087 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275241 1417893488 /nfs/dbraw/zinc/89/34/88/1417893488.db2.gz GHRBACKNFZIAJF-RTBURBONSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001713275241 1417893493 /nfs/dbraw/zinc/89/34/93/1417893493.db2.gz GHRBACKNFZIAJF-RTBURBONSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)N1CCCCCC1 ZINC001713705050 1418464543 /nfs/dbraw/zinc/46/45/43/1418464543.db2.gz QJSPMXYHIYEOAO-YLJYHZDGSA-N 1 3 343.515 3.108 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713738718 1418537487 /nfs/dbraw/zinc/53/74/87/1418537487.db2.gz KMAQCNRFVSZVGS-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713738718 1418537490 /nfs/dbraw/zinc/53/74/90/1418537490.db2.gz KMAQCNRFVSZVGS-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742495 1418544842 /nfs/dbraw/zinc/54/48/42/1418544842.db2.gz YZHUJUMBPQCWHY-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742495 1418544844 /nfs/dbraw/zinc/54/48/44/1418544844.db2.gz YZHUJUMBPQCWHY-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400742 1419144062 /nfs/dbraw/zinc/14/40/62/1419144062.db2.gz DORUUYXXRDMJAP-QZTJIDSGSA-N 1 3 347.547 3.068 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001714633205 1419404699 /nfs/dbraw/zinc/40/46/99/1419404699.db2.gz LOWRHFHCYHEXJP-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001714633205 1419404701 /nfs/dbraw/zinc/40/47/01/1419404701.db2.gz LOWRHFHCYHEXJP-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(C)C1(C(=O)N(C)CC[NH2+]Cc2ccc(C(C)(C)C)cc2)CCC1 ZINC001714718720 1419482522 /nfs/dbraw/zinc/48/25/22/1419482522.db2.gz XAZBBINZSHKUIH-UHFFFAOYSA-N 1 3 345.531 3.016 10 0 EGAEHO C[C@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714754006 1419495357 /nfs/dbraw/zinc/49/53/57/1419495357.db2.gz WWTKCZIECNUSBY-APWZRJJASA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)CCN[C@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795867 1419512586 /nfs/dbraw/zinc/51/25/86/1419512586.db2.gz BVMAGVRMQOINRY-APWZRJJASA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)=CCN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838423 1419550757 /nfs/dbraw/zinc/55/07/57/1419550757.db2.gz ZKNFHBLZAGKBSA-VQTJNVASSA-N 1 3 343.515 3.273 10 0 EGAEHO CC(C)=CCN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714838423 1419550759 /nfs/dbraw/zinc/55/07/59/1419550759.db2.gz ZKNFHBLZAGKBSA-VQTJNVASSA-N 1 3 343.515 3.273 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001714887202 1419627759 /nfs/dbraw/zinc/62/77/59/1419627759.db2.gz VSOMNCUIXQKXKP-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001714887202 1419627761 /nfs/dbraw/zinc/62/77/61/1419627761.db2.gz VSOMNCUIXQKXKP-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001715062092 1419800617 /nfs/dbraw/zinc/80/06/17/1419800617.db2.gz GFZZIGJNRCMPKL-ZWKOTPCHSA-N 1 3 345.531 3.333 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC001715129588 1419878347 /nfs/dbraw/zinc/87/83/47/1419878347.db2.gz ZPKIYEUKDKGRFQ-YWZLYKJASA-N 1 3 349.494 3.101 10 0 EGAEHO CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001715161001 1419902473 /nfs/dbraw/zinc/90/24/73/1419902473.db2.gz LQIJLCSYQZSKAA-OALUTQOASA-N 1 3 337.552 3.269 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C)c1 ZINC001715507757 1420190896 /nfs/dbraw/zinc/19/08/96/1420190896.db2.gz RROGLLJCLAVYGG-UYAOXDASSA-N 1 3 347.547 3.435 10 0 EGAEHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001715953986 1420420303 /nfs/dbraw/zinc/42/03/03/1420420303.db2.gz OXYNWLOUGPRGHW-XLIONFOSSA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)N(C)C ZINC001716419633 1420647176 /nfs/dbraw/zinc/64/71/76/1420647176.db2.gz MJBDESSLAVRVLA-ZUOKHONESA-N 1 3 347.547 3.163 10 0 EGAEHO CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001733272059 1429434639 /nfs/dbraw/zinc/43/46/39/1429434639.db2.gz GCKNPFNRFQHLBH-OYZZBNCVSA-N 1 3 347.547 3.186 10 0 EGAEHO CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001716715817 1420872424 /nfs/dbraw/zinc/87/24/24/1420872424.db2.gz NPDHIMOQJCIQQH-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001716715817 1420872427 /nfs/dbraw/zinc/87/24/27/1420872427.db2.gz NPDHIMOQJCIQQH-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001716768874 1420913832 /nfs/dbraw/zinc/91/38/32/1420913832.db2.gz HMKXEXSDQGLMQS-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901242 1421032115 /nfs/dbraw/zinc/03/21/15/1421032115.db2.gz DOYAYAWQOYXURU-PXDRNWIDSA-N 1 3 346.519 3.225 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901242 1421032117 /nfs/dbraw/zinc/03/21/17/1421032117.db2.gz DOYAYAWQOYXURU-PXDRNWIDSA-N 1 3 346.519 3.225 10 0 EGAEHO CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001716999969 1421070437 /nfs/dbraw/zinc/07/04/37/1421070437.db2.gz YBOLQACBVIKTPD-YSTOQKLRSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001716999969 1421070439 /nfs/dbraw/zinc/07/04/39/1421070439.db2.gz YBOLQACBVIKTPD-YSTOQKLRSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001717114730 1421118675 /nfs/dbraw/zinc/11/86/75/1421118675.db2.gz GGXJGBPMYKNUNY-IAGOWNOFSA-N 1 3 345.531 3.484 10 0 EGAEHO CC[C@H](F)CNC1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001717152417 1421142687 /nfs/dbraw/zinc/14/26/87/1421142687.db2.gz BNNZAIQVAGDTLU-HNNXBMFYSA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@H](F)CNC1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC1 ZINC001717152417 1421142689 /nfs/dbraw/zinc/14/26/89/1421142689.db2.gz BNNZAIQVAGDTLU-HNNXBMFYSA-N 1 3 341.515 3.016 10 0 EGAEHO C[C@@H](c1cccc(F)c1)N1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310201 1421253389 /nfs/dbraw/zinc/25/33/89/1421253389.db2.gz CPYDODWVNDNSFN-YJBOKZPZSA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001717334098 1421270148 /nfs/dbraw/zinc/27/01/48/1421270148.db2.gz PNDXWQJXYXDGAK-VDZMMWBESA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001717334098 1421270151 /nfs/dbraw/zinc/27/01/51/1421270151.db2.gz PNDXWQJXYXDGAK-VDZMMWBESA-N 1 3 335.536 3.186 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)C1CCC1 ZINC001717358692 1421293898 /nfs/dbraw/zinc/29/38/98/1421293898.db2.gz VTSITRJHZSDFKD-FQEVSTJZSA-N 1 3 347.547 3.332 10 0 EGAEHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)c(C)c1 ZINC001717375913 1421317672 /nfs/dbraw/zinc/31/76/72/1421317672.db2.gz GHSONBIVCNXFCT-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)C(C)C)c(C)c1 ZINC001717375913 1421317676 /nfs/dbraw/zinc/31/76/76/1421317676.db2.gz GHSONBIVCNXFCT-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001717542894 1421483470 /nfs/dbraw/zinc/48/34/70/1421483470.db2.gz NUZBJYLVXMXAFQ-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001717542894 1421483471 /nfs/dbraw/zinc/48/34/71/1421483471.db2.gz NUZBJYLVXMXAFQ-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001717558665 1421494626 /nfs/dbraw/zinc/49/46/26/1421494626.db2.gz JLIWGHMFCMSBEC-MSOLQXFVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)c1ccc(F)cc1 ZINC001717758657 1421621356 /nfs/dbraw/zinc/62/13/56/1421621356.db2.gz ZHDMULWYJLRRHM-QAPCUYQASA-N 1 3 337.483 3.054 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)N(C)C ZINC001717972022 1421743709 /nfs/dbraw/zinc/74/37/09/1421743709.db2.gz YAINEQYFNHWVQW-DLBZAZTESA-N 1 3 339.568 3.129 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001723864547 1424592220 /nfs/dbraw/zinc/59/22/20/1424592220.db2.gz WOKFUHFFOWDEJV-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001724125304 1424676158 /nfs/dbraw/zinc/67/61/58/1424676158.db2.gz CMLLDPJDOQEGBS-QGELVWPYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001724125304 1424676161 /nfs/dbraw/zinc/67/61/61/1424676161.db2.gz CMLLDPJDOQEGBS-QGELVWPYSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)=CCN1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724165514 1424702417 /nfs/dbraw/zinc/70/24/17/1424702417.db2.gz OQPRXMJFRAEWNM-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251676 1424756652 /nfs/dbraw/zinc/75/66/52/1424756652.db2.gz UPDGYCWVGFMDBA-RXVVDRJESA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512324 1424889546 /nfs/dbraw/zinc/88/95/46/1424889546.db2.gz ROGHWVPIISZZBF-PMACEKPBSA-N 1 3 345.531 3.279 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001724598671 1424929956 /nfs/dbraw/zinc/92/99/56/1424929956.db2.gz ABFXABBGBUKWSR-SLVIYJBESA-N 1 3 349.563 3.149 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001724727944 1425080033 /nfs/dbraw/zinc/08/00/33/1425080033.db2.gz JWAXXTFPVSOUEJ-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H](NC/C=C/Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745893 1425114885 /nfs/dbraw/zinc/11/48/85/1425114885.db2.gz UIDNFZGNGSPCPL-CXBVNRDYSA-N 1 3 349.906 3.046 10 0 EGAEHO C[C@@H](NC/C=C/Cl)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001724745893 1425114888 /nfs/dbraw/zinc/11/48/88/1425114888.db2.gz UIDNFZGNGSPCPL-CXBVNRDYSA-N 1 3 349.906 3.046 10 0 EGAEHO CC(C)=CC[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001724963716 1425353966 /nfs/dbraw/zinc/35/39/66/1425353966.db2.gz UJPBFFVMAAVAMJ-UHFFFAOYSA-N 1 3 343.515 3.299 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993943 1425398952 /nfs/dbraw/zinc/39/89/52/1425398952.db2.gz HJUWHEVGFCSKPQ-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CC1CCCC1 ZINC001724993943 1425398964 /nfs/dbraw/zinc/39/89/64/1425398964.db2.gz HJUWHEVGFCSKPQ-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001725166405 1425671608 /nfs/dbraw/zinc/67/16/08/1425671608.db2.gz NINKGCMDNIETTQ-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001725166405 1425671611 /nfs/dbraw/zinc/67/16/11/1425671611.db2.gz NINKGCMDNIETTQ-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO C[C@@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001725524037 1426215352 /nfs/dbraw/zinc/21/53/52/1426215352.db2.gz NONGAUDWUHLYKS-INIZCTEOSA-N 1 3 345.531 3.235 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680145 1426367854 /nfs/dbraw/zinc/36/78/54/1426367854.db2.gz MLRPUFSBOLIWIJ-QAPCUYQASA-N 1 3 349.494 3.055 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736700 1426411419 /nfs/dbraw/zinc/41/14/19/1426411419.db2.gz DEMQRQWUEBVGNS-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731504877 1427489272 /nfs/dbraw/zinc/48/92/72/1427489272.db2.gz XYQLJKPMIBPQKO-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001731504877 1427489277 /nfs/dbraw/zinc/48/92/77/1427489277.db2.gz XYQLJKPMIBPQKO-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731522573 1427511038 /nfs/dbraw/zinc/51/10/38/1427511038.db2.gz DXDWRACPVWYXRC-ZEVQVBBLSA-N 1 3 337.552 3.149 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731853935 1428085599 /nfs/dbraw/zinc/08/55/99/1428085599.db2.gz ATXDAELJRBSJFS-WFRZBGSESA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731853935 1428085603 /nfs/dbraw/zinc/08/56/03/1428085603.db2.gz ATXDAELJRBSJFS-WFRZBGSESA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766144 1429988707 /nfs/dbraw/zinc/98/87/07/1429988707.db2.gz CBZLAPAOWJZIPJ-ICSRJNTNSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001733766144 1429988710 /nfs/dbraw/zinc/98/87/10/1429988710.db2.gz CBZLAPAOWJZIPJ-ICSRJNTNSA-N 1 3 345.531 3.367 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001733769328 1429997777 /nfs/dbraw/zinc/99/77/77/1429997777.db2.gz QDVAIFRGYLZGCS-QUCCMNQESA-N 1 3 345.531 3.239 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001733769328 1429997778 /nfs/dbraw/zinc/99/77/78/1429997778.db2.gz QDVAIFRGYLZGCS-QUCCMNQESA-N 1 3 345.531 3.239 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001733813897 1430094515 /nfs/dbraw/zinc/09/45/15/1430094515.db2.gz RSILPLIVSMPPJB-OAQYLSRUSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001733813897 1430094520 /nfs/dbraw/zinc/09/45/20/1430094520.db2.gz RSILPLIVSMPPJB-OAQYLSRUSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001733936732 1437751045 /nfs/dbraw/zinc/75/10/45/1437751045.db2.gz JTOGIKLKFMGUEY-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001733936732 1437751046 /nfs/dbraw/zinc/75/10/46/1437751046.db2.gz JTOGIKLKFMGUEY-RTBURBONSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080734 1437867848 /nfs/dbraw/zinc/86/78/48/1437867848.db2.gz MWAQCUIPXIIZEZ-AZUAARDMSA-N 1 3 349.563 3.291 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001734253265 1437968283 /nfs/dbraw/zinc/96/82/83/1437968283.db2.gz URMKYPZWNWYNPK-HKUYNNGSSA-N 1 3 345.531 3.020 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC/C=C\c2ccccc2)C[C@H]1C ZINC001734427068 1438092245 /nfs/dbraw/zinc/09/22/45/1438092245.db2.gz OBYVZXVEMOKMST-UXRNRCMTSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001734566710 1438162181 /nfs/dbraw/zinc/16/21/81/1438162181.db2.gz DWMOZNGGLKRWKK-INIZCTEOSA-N 1 3 325.541 3.027 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001750945478 1440118245 /nfs/dbraw/zinc/11/82/45/1440118245.db2.gz URZSHFDUMSOSBO-UIVAWZFMSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001750945478 1440118246 /nfs/dbraw/zinc/11/82/46/1440118246.db2.gz URZSHFDUMSOSBO-UIVAWZFMSA-N 1 3 337.552 3.290 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000037644492 213161790 /nfs/dbraw/zinc/16/17/90/213161790.db2.gz TZYUROYDZPQDOY-STQMWFEESA-N 1 3 341.293 3.450 10 0 EGAEHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562030 299291208 /nfs/dbraw/zinc/29/12/08/299291208.db2.gz TZEGYJBNWOOEFH-IRXDYDNUSA-N 1 3 339.524 3.240 10 0 EGAEHO C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562030 299291210 /nfs/dbraw/zinc/29/12/10/299291210.db2.gz TZEGYJBNWOOEFH-IRXDYDNUSA-N 1 3 339.524 3.240 10 0 EGAEHO CSC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000133124592 223390118 /nfs/dbraw/zinc/39/01/18/223390118.db2.gz NDNIHWXKSNDCSB-LPHOPBHVSA-N 1 3 334.529 3.181 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081095174 217361382 /nfs/dbraw/zinc/36/13/82/217361382.db2.gz OSCZJEJDNYFADX-SJLPKXTDSA-N 1 3 342.487 3.331 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081095174 217361384 /nfs/dbraw/zinc/36/13/84/217361384.db2.gz OSCZJEJDNYFADX-SJLPKXTDSA-N 1 3 342.487 3.331 10 0 EGAEHO COc1ccccc1/C=C/CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735067 218244970 /nfs/dbraw/zinc/24/49/70/218244970.db2.gz XFQFEFZWGDBFEL-SOFGYWHQSA-N 1 3 344.499 3.285 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000268807137 252260173 /nfs/dbraw/zinc/26/01/73/252260173.db2.gz ADJRAMVLHGPNQB-OAHLLOKOSA-N 1 3 345.487 3.019 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488155 141122498 /nfs/dbraw/zinc/12/24/98/141122498.db2.gz MHFLHDCYTXKBQJ-YLJYHZDGSA-N 1 3 328.500 3.303 10 0 EGAEHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000358320444 292367127 /nfs/dbraw/zinc/36/71/27/292367127.db2.gz PLTIOBDQHFBZMG-VAMGGRTRSA-N 1 3 344.499 3.176 10 0 EGAEHO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248880164 163041185 /nfs/dbraw/zinc/04/11/85/163041185.db2.gz KLIJHZMILORTMQ-XSDIEEQYSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248880164 163041187 /nfs/dbraw/zinc/04/11/87/163041187.db2.gz KLIJHZMILORTMQ-XSDIEEQYSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248880164 163041190 /nfs/dbraw/zinc/04/11/90/163041190.db2.gz KLIJHZMILORTMQ-XSDIEEQYSA-N 1 3 327.516 3.256 10 0 EGAEHO C[N@H+](CCCN1CCCC1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000337278428 163192678 /nfs/dbraw/zinc/19/26/78/163192678.db2.gz SSLQHZINMTYRFW-INIZCTEOSA-N 1 3 344.421 3.027 10 0 EGAEHO C[N@@H+](CCCN1CCCC1)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000337278428 163192680 /nfs/dbraw/zinc/19/26/80/163192680.db2.gz SSLQHZINMTYRFW-INIZCTEOSA-N 1 3 344.421 3.027 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000350144941 165011916 /nfs/dbraw/zinc/01/19/16/165011916.db2.gz FZWHMABOMVXYKB-UHFFFAOYSA-N 1 3 330.520 3.236 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000352049816 165209175 /nfs/dbraw/zinc/20/91/75/165209175.db2.gz TUNSEEARURYKOF-HOJAQTOUSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000352049816 165209179 /nfs/dbraw/zinc/20/91/79/165209179.db2.gz TUNSEEARURYKOF-HOJAQTOUSA-N 1 3 343.515 3.203 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@H]2CCC[C@H]21 ZINC000367627476 168252120 /nfs/dbraw/zinc/25/21/20/168252120.db2.gz TVNWXBGJSJYYKN-RVKKMQEKSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccccn3)cs2)[C@H]2CCC[C@H]21 ZINC000367627476 168252123 /nfs/dbraw/zinc/25/21/23/168252123.db2.gz TVNWXBGJSJYYKN-RVKKMQEKSA-N 1 3 342.512 3.210 10 0 EGAEHO CC[NH+](CC)CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359592931 276323586 /nfs/dbraw/zinc/32/35/86/276323586.db2.gz AMBRLUNSZIKYRF-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO C(N1C[C@@H]2CCCC[C@H]2C1)C1(C[NH+]2C[C@H]3CCCC[C@@H]3C2)COC1 ZINC000248418876 308002731 /nfs/dbraw/zinc/00/27/31/308002731.db2.gz KQQJUBWPYMADRW-XLLXOSNRSA-N 1 3 332.532 3.247 10 0 EGAEHO C(N1C[C@H]2CCCC[C@@H]2C1)C1(C[NH+]2C[C@@H]3CCCC[C@H]3C2)COC1 ZINC000248418876 308002733 /nfs/dbraw/zinc/00/27/33/308002733.db2.gz KQQJUBWPYMADRW-XLLXOSNRSA-N 1 3 332.532 3.247 10 0 EGAEHO Cc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000294671828 308244296 /nfs/dbraw/zinc/24/42/96/308244296.db2.gz AMWXVZCOWRKISQ-LJQANCHMSA-N 1 3 330.497 3.303 10 0 EGAEHO Cc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cs1 ZINC000294671828 308244299 /nfs/dbraw/zinc/24/42/99/308244299.db2.gz AMWXVZCOWRKISQ-LJQANCHMSA-N 1 3 330.497 3.303 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000414810832 309103103 /nfs/dbraw/zinc/10/31/03/309103103.db2.gz OPHGQYMNVDWEOZ-ZIAGYGMSSA-N 1 3 329.419 3.352 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414816613 309103505 /nfs/dbraw/zinc/10/35/05/309103505.db2.gz QEZISLDLYWNXBH-LSDHHAIUSA-N 1 3 341.455 3.222 10 0 EGAEHO Cc1ccc(F)cc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397506148 308904449 /nfs/dbraw/zinc/90/44/49/308904449.db2.gz GANPXFOOWJUNNZ-UHFFFAOYSA-N 1 3 342.458 3.251 10 0 EGAEHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397497238 308904497 /nfs/dbraw/zinc/90/44/97/308904497.db2.gz CHGSTZJBIIDKAY-WSTZPKSXSA-N 1 3 330.516 3.428 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CNC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852242 309105630 /nfs/dbraw/zinc/10/56/30/309105630.db2.gz VUVBNURKUJUJPY-OAQYLSRUSA-N 1 3 349.482 3.489 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000414852242 309105631 /nfs/dbraw/zinc/10/56/31/309105631.db2.gz VUVBNURKUJUJPY-OAQYLSRUSA-N 1 3 349.482 3.489 10 0 EGAEHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000415011456 309114182 /nfs/dbraw/zinc/11/41/82/309114182.db2.gz HVUNDJVTLLQRRR-HOTUBEGUSA-N 1 3 344.299 3.384 10 0 EGAEHO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc2)c1 ZINC000415024215 309114995 /nfs/dbraw/zinc/11/49/95/309114995.db2.gz YJSQXYXSFZAUPA-KGLIPLIRSA-N 1 3 330.428 3.321 10 0 EGAEHO CC[NH+](CC)CC1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000416132984 309160061 /nfs/dbraw/zinc/16/00/61/309160061.db2.gz BUFWVTJWBJKORB-HXUWFJFHSA-N 1 3 345.531 3.260 10 0 EGAEHO CSc1ccccc1NC(=O)CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420405802 309286648 /nfs/dbraw/zinc/28/66/48/309286648.db2.gz UBPGXKBNFGLPHQ-NVXWUHKLSA-N 1 3 347.528 3.201 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000421369934 309320964 /nfs/dbraw/zinc/32/09/64/309320964.db2.gz BLHYWIIVPWNJRA-UXHICEINSA-N 1 3 345.531 3.266 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1F ZINC000422743377 309366164 /nfs/dbraw/zinc/36/61/64/309366164.db2.gz IKKJEUYDWPQCTN-MISYRCLQSA-N 1 3 333.495 3.288 10 0 EGAEHO CCN(CC[NH2+][C@@H](C)c1ccc(CN)nc1C)c1cccc(C)c1 ZINC000422755369 309366830 /nfs/dbraw/zinc/36/68/30/309366830.db2.gz BIWNAPGCGQXHSU-INIZCTEOSA-N 1 3 326.488 3.334 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777047 309367657 /nfs/dbraw/zinc/36/76/57/309367657.db2.gz DXYPBOPGYOWHGJ-KGLIPLIRSA-N 1 3 341.455 3.249 10 0 EGAEHO c1csc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)n1 ZINC000423093696 309385635 /nfs/dbraw/zinc/38/56/35/309385635.db2.gz ABGPZQMYERGUMT-YESZJQIVSA-N 1 3 334.533 3.012 10 0 EGAEHO COC[C@H](CCC[NH3+])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423102085 309385982 /nfs/dbraw/zinc/38/59/82/309385982.db2.gz JPXHFZGDJCNTOH-AWEZNQCLSA-N 1 3 339.892 3.307 10 0 EGAEHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192369 309389852 /nfs/dbraw/zinc/38/98/52/309389852.db2.gz UQWBZJJZOJZDFV-OJAHFUOMSA-N 1 3 331.479 3.305 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000423273766 309393683 /nfs/dbraw/zinc/39/36/83/309393683.db2.gz JIETVGHJNYTDBY-YFVAEKQCSA-N 1 3 329.532 3.189 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423291963 309394062 /nfs/dbraw/zinc/39/40/62/309394062.db2.gz KTRAWEQPJOJROJ-SJORKVTESA-N 1 3 339.483 3.394 10 0 EGAEHO COc1ccccc1NC(=O)C[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423293666 309394369 /nfs/dbraw/zinc/39/43/69/309394369.db2.gz RWACETWYXGXVIA-LSDHHAIUSA-N 1 3 341.455 3.222 10 0 EGAEHO CN(C)C(=O)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449101923 310037240 /nfs/dbraw/zinc/03/72/40/310037240.db2.gz WDBPIVUTWAOUOC-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)CC(C)(C)C)CC1 ZINC000449147860 310040322 /nfs/dbraw/zinc/04/03/22/310040322.db2.gz IHQRQUGGNUFSII-FXAWDEMLSA-N 1 3 332.532 3.469 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000449187617 310043195 /nfs/dbraw/zinc/04/31/95/310043195.db2.gz KZZYUYNELNQHSX-OXJNMPFZSA-N 1 3 338.499 3.472 10 0 EGAEHO Cc1cc(C[C@@H](C)[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)n[nH]1 ZINC000449188269 310043274 /nfs/dbraw/zinc/04/32/74/310043274.db2.gz KAQBSXSLFDYOEA-SJLPKXTDSA-N 1 3 340.515 3.334 10 0 EGAEHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490179 310066206 /nfs/dbraw/zinc/06/62/06/310066206.db2.gz WJXIEQUYDNZJDV-AEFFLSMTSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(CF)CCOCC3)CC2)C1 ZINC000449490179 310066207 /nfs/dbraw/zinc/06/62/07/310066207.db2.gz WJXIEQUYDNZJDV-AEFFLSMTSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000449560266 310072257 /nfs/dbraw/zinc/07/22/57/310072257.db2.gz ITEPSBSHZHRDIM-AMZGXZFVSA-N 1 3 341.543 3.297 10 0 EGAEHO CC(C)[NH+]1CCC(N2CCN(C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000450590458 310131848 /nfs/dbraw/zinc/13/18/48/310131848.db2.gz VPLSOYJGIUKOFK-QGZVFWFLSA-N 1 3 343.506 3.302 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124904 310259571 /nfs/dbraw/zinc/25/95/71/310259571.db2.gz ITXZILBWDWWMSM-WMZOPIPTSA-N 1 3 344.503 3.095 10 0 EGAEHO Cc1cnc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000453408211 310275488 /nfs/dbraw/zinc/27/54/88/310275488.db2.gz SNYPPXOFOMGXDU-MZADTFQBSA-N 1 3 336.483 3.113 10 0 EGAEHO Cc1cnc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000453408211 310275489 /nfs/dbraw/zinc/27/54/89/310275489.db2.gz SNYPPXOFOMGXDU-MZADTFQBSA-N 1 3 336.483 3.113 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514086746 312224174 /nfs/dbraw/zinc/22/41/74/312224174.db2.gz CMYOXOUOSLHOBO-FDFHNCONSA-N 1 3 341.543 3.156 10 0 EGAEHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000540709119 314399005 /nfs/dbraw/zinc/39/90/05/314399005.db2.gz GMZANCPAVCQHIH-UXHICEINSA-N 1 3 346.515 3.156 10 0 EGAEHO CCC[NH+]1CCC(CNCc2conc2Cc2ccccc2)CC1 ZINC000555537829 315388699 /nfs/dbraw/zinc/38/86/99/315388699.db2.gz YWDFLKVZFPKDSL-UHFFFAOYSA-N 1 3 327.472 3.477 10 0 EGAEHO c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572521335 317351213 /nfs/dbraw/zinc/35/12/13/317351213.db2.gz FMNAKSOQLDEWEL-VQTJNVASSA-N 1 3 339.527 3.258 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000384069185 324258376 /nfs/dbraw/zinc/25/83/76/324258376.db2.gz UYQGEHADFWPESU-PCCBWWKXSA-N 1 3 328.500 3.303 10 0 EGAEHO CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)C1CC1 ZINC000623496018 460580680 /nfs/dbraw/zinc/58/06/80/460580680.db2.gz DXJFUIDQBKMLJN-VQTJNVASSA-N 1 3 329.532 3.359 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n[nH]1 ZINC000245646283 455347281 /nfs/dbraw/zinc/34/72/81/455347281.db2.gz BNWVZZDBFDLJCE-CEDBRAGKSA-N 1 3 338.499 3.434 10 0 EGAEHO CC(C)[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)c(F)c1 ZINC000182065298 455427706 /nfs/dbraw/zinc/42/77/06/455427706.db2.gz FIPBLSUJMJDJOI-LJQANCHMSA-N 1 3 339.474 3.279 10 0 EGAEHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000060669642 454310381 /nfs/dbraw/zinc/31/03/81/454310381.db2.gz RREXGAJYPUAUNQ-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO CCC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC000162171624 454756605 /nfs/dbraw/zinc/75/66/05/454756605.db2.gz LAVVMBXEUYBFCH-QFBILLFUSA-N 1 3 331.504 3.059 10 0 EGAEHO CCN(C(=O)CC[NH2+]C(C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165944898 454906819 /nfs/dbraw/zinc/90/68/19/454906819.db2.gz KJRVZLNFTGRQTD-HKUYNNGSSA-N 1 3 331.504 3.059 10 0 EGAEHO O=C(C[N@@H+]1CCC[C@@H]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000127722665 454991858 /nfs/dbraw/zinc/99/18/58/454991858.db2.gz RUBUPKVABVSBND-HXUWFJFHSA-N 1 3 347.547 3.164 10 0 EGAEHO O=C(C[N@H+]1CCC[C@@H]1CC1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000127722665 454991863 /nfs/dbraw/zinc/99/18/63/454991863.db2.gz RUBUPKVABVSBND-HXUWFJFHSA-N 1 3 347.547 3.164 10 0 EGAEHO Cc1noc(C)c1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000155961594 455066561 /nfs/dbraw/zinc/06/65/61/455066561.db2.gz ADXYUYRGTBCBFK-UHFFFAOYSA-N 1 3 327.472 3.131 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]C2CCN(C4CC4)CC2)C3)cc1 ZINC000180106052 455132795 /nfs/dbraw/zinc/13/27/95/455132795.db2.gz MDMXEFUKRWPXAO-XDNSSPFJSA-N 1 3 339.527 3.398 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n[nH]1 ZINC000180159082 455141986 /nfs/dbraw/zinc/14/19/86/455141986.db2.gz BNWVZZDBFDLJCE-SRBWVJFJSA-N 1 3 338.499 3.434 10 0 EGAEHO COc1cc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000245511116 455318187 /nfs/dbraw/zinc/31/81/87/455318187.db2.gz XNUSSFHRMNUDNC-OWCLPIDISA-N 1 3 338.467 3.374 10 0 EGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000246483204 455498605 /nfs/dbraw/zinc/49/86/05/455498605.db2.gz RKUOZDAWFZLRFK-AQNCSGRASA-N 1 3 339.886 3.297 10 0 EGAEHO C[C@@H]1C[C@H](N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000246483204 455498611 /nfs/dbraw/zinc/49/86/11/455498611.db2.gz RKUOZDAWFZLRFK-AQNCSGRASA-N 1 3 339.886 3.297 10 0 EGAEHO Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248391924 455712644 /nfs/dbraw/zinc/71/26/44/455712644.db2.gz COEHJCVXCRJKTG-PWRODBHTSA-N 1 3 338.499 3.082 10 0 EGAEHO c1csc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000249060911 455743607 /nfs/dbraw/zinc/74/36/07/455743607.db2.gz ZWCTVRMAGPCTKS-NNZMDNLPSA-N 1 3 327.497 3.471 10 0 EGAEHO c1csc(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000249060911 455743611 /nfs/dbraw/zinc/74/36/11/455743611.db2.gz ZWCTVRMAGPCTKS-NNZMDNLPSA-N 1 3 327.497 3.471 10 0 EGAEHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385844 455933275 /nfs/dbraw/zinc/93/32/75/455933275.db2.gz GAUWIUIIDBIQSR-HTFPWXHTSA-N 1 3 339.527 3.254 10 0 EGAEHO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000352821878 456336302 /nfs/dbraw/zinc/33/63/02/456336302.db2.gz BLEOZKOURKHEAG-VQIMIIECSA-N 1 3 343.515 3.060 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000352832217 456346878 /nfs/dbraw/zinc/34/68/78/456346878.db2.gz FESWRPDZCRLHBL-DJPFJPOOSA-N 1 3 328.500 3.335 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337532826 456361359 /nfs/dbraw/zinc/36/13/59/456361359.db2.gz WIJKSCJMQHGEAI-GOSISDBHSA-N 1 3 347.551 3.067 10 0 EGAEHO CC(C)[C@H](N)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000665280462 462383294 /nfs/dbraw/zinc/38/32/94/462383294.db2.gz BZAFINKPQOFLBR-JKSUJKDBSA-N 1 3 325.294 3.269 10 0 EGAEHO C[C@H](N[C@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504307 456535343 /nfs/dbraw/zinc/53/53/43/456535343.db2.gz SDXVCEBXAMUBOW-KXBFYZLASA-N 1 3 342.487 3.089 10 0 EGAEHO Cc1ccc(CN2CCCC2)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000292113917 456859644 /nfs/dbraw/zinc/85/96/44/456859644.db2.gz KAKGVYXDKFPDMM-UHFFFAOYSA-N 1 3 329.488 3.261 10 0 EGAEHO C[C@@H]1C[C@@H](C)N(CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000397340083 457486857 /nfs/dbraw/zinc/48/68/57/457486857.db2.gz VIXOZUJHURYMGF-MCIONIFRSA-N 1 3 334.489 3.036 10 0 EGAEHO OC1(C[NH2+]C/C=C\c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000397621106 457489447 /nfs/dbraw/zinc/48/94/47/457489447.db2.gz WHERYXMOFTYGMN-GHXNOFRVSA-N 1 3 336.479 3.317 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000356304594 457562010 /nfs/dbraw/zinc/56/20/10/457562010.db2.gz JGPTYQQTURTUNB-OALUTQOASA-N 1 3 345.531 3.123 10 0 EGAEHO CC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(OC)c1 ZINC000358246202 457884742 /nfs/dbraw/zinc/88/47/42/457884742.db2.gz JUPPMRHNILBLNC-LJQANCHMSA-N 1 3 343.471 3.272 10 0 EGAEHO CC(C)N(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC(=O)N1 ZINC000412083271 458085629 /nfs/dbraw/zinc/08/56/29/458085629.db2.gz PSKPBAGDDDVSIT-HXUWFJFHSA-N 1 3 343.515 3.162 10 0 EGAEHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000428337088 458123295 /nfs/dbraw/zinc/12/32/95/458123295.db2.gz GOWGJZXNTLHRIF-LAUBAEHRSA-N 1 3 345.531 3.324 10 0 EGAEHO Cc1nc([C@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)cs1 ZINC000362485147 458210060 /nfs/dbraw/zinc/21/00/60/458210060.db2.gz JYPJOYVAZMPWEJ-HNNXBMFYSA-N 1 3 336.549 3.052 10 0 EGAEHO Cc1nc([C@H](C)NCC2([NH+]3CCCCC3)CCN(C)CC2)cs1 ZINC000362485147 458210065 /nfs/dbraw/zinc/21/00/65/458210065.db2.gz JYPJOYVAZMPWEJ-HNNXBMFYSA-N 1 3 336.549 3.052 10 0 EGAEHO C[C@H]1C[C@H](CCNCc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438685 458371423 /nfs/dbraw/zinc/37/14/23/458371423.db2.gz JIDCZEJHZPQFMS-HKUYNNGSSA-N 1 3 349.482 3.120 10 0 EGAEHO C[C@H]1C[C@H](CCNCc2cn3cccnc3n2)C[N@H+]1Cc1ccccc1 ZINC000459438685 458371428 /nfs/dbraw/zinc/37/14/28/458371428.db2.gz JIDCZEJHZPQFMS-HKUYNNGSSA-N 1 3 349.482 3.120 10 0 EGAEHO C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccc4cncn4c3)CC2)C1 ZINC000459663285 458440437 /nfs/dbraw/zinc/44/04/37/458440437.db2.gz WTVWMGNUIKHCSQ-LPHOPBHVSA-N 1 3 326.488 3.467 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110802 458495172 /nfs/dbraw/zinc/49/51/72/458495172.db2.gz ZZXOUMNMNWHODZ-AQNXPRMDSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110802 458495175 /nfs/dbraw/zinc/49/51/75/458495175.db2.gz ZZXOUMNMNWHODZ-AQNXPRMDSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCC[N@@H+](CC[C@@H](C)N2CCC[C@H](COC)CC2)CC1 ZINC000452110802 458495177 /nfs/dbraw/zinc/49/51/77/458495177.db2.gz ZZXOUMNMNWHODZ-AQNXPRMDSA-N 1 3 340.552 3.262 10 0 EGAEHO COC[C@@H]1CCC[N@H+](CC[C@@H](C)N2CCC[C@H](COC)CC2)CC1 ZINC000452110802 458495179 /nfs/dbraw/zinc/49/51/79/458495179.db2.gz ZZXOUMNMNWHODZ-AQNXPRMDSA-N 1 3 340.552 3.262 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000431572600 458590516 /nfs/dbraw/zinc/59/05/16/458590516.db2.gz XECZKFMBRLBSQH-SJORKVTESA-N 1 3 349.544 3.266 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000431572600 458590523 /nfs/dbraw/zinc/59/05/23/458590523.db2.gz XECZKFMBRLBSQH-SJORKVTESA-N 1 3 349.544 3.266 10 0 EGAEHO CC(C)C[C@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000474479281 458888585 /nfs/dbraw/zinc/88/85/85/458888585.db2.gz NSZXOIHZTZGOHI-HXUWFJFHSA-N 1 3 331.548 3.432 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864185 459024497 /nfs/dbraw/zinc/02/44/97/459024497.db2.gz CZASYIZCFXBYKZ-RRFJBIMHSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864185 459024500 /nfs/dbraw/zinc/02/45/00/459024500.db2.gz CZASYIZCFXBYKZ-RRFJBIMHSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864185 459024506 /nfs/dbraw/zinc/02/45/06/459024506.db2.gz CZASYIZCFXBYKZ-RRFJBIMHSA-N 1 3 340.414 3.259 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000578303781 459176832 /nfs/dbraw/zinc/17/68/32/459176832.db2.gz MOOJNTWZSFFLFI-YWPYICTPSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000578303781 459176835 /nfs/dbraw/zinc/17/68/35/459176835.db2.gz MOOJNTWZSFFLFI-YWPYICTPSA-N 1 3 343.393 3.010 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000594944433 459187325 /nfs/dbraw/zinc/18/73/25/459187325.db2.gz PXCZUXGRSJKYFO-VBSBHUPXSA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944433 459187328 /nfs/dbraw/zinc/18/73/28/459187328.db2.gz PXCZUXGRSJKYFO-VBSBHUPXSA-N 1 3 344.499 3.076 10 0 EGAEHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000594944433 459187333 /nfs/dbraw/zinc/18/73/33/459187333.db2.gz PXCZUXGRSJKYFO-VBSBHUPXSA-N 1 3 344.499 3.076 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000480265708 459190638 /nfs/dbraw/zinc/19/06/38/459190638.db2.gz NSEAXRXTXQLOKW-FPOVZHCZSA-N 1 3 329.532 3.363 10 0 EGAEHO CC(C)C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000480535691 459203337 /nfs/dbraw/zinc/20/33/37/459203337.db2.gz LMJPJFPUWXRXGD-CEWLAPEOSA-N 1 3 331.548 3.463 10 0 EGAEHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000595021334 459218189 /nfs/dbraw/zinc/21/81/89/459218189.db2.gz CFJVAGGUTVCPHD-DLBZAZTESA-N 1 3 326.525 3.312 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCN1C ZINC000578650976 459237473 /nfs/dbraw/zinc/23/74/73/459237473.db2.gz VHAFCACMMWQJAJ-RLLQIKCJSA-N 1 3 327.516 3.256 10 0 EGAEHO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000524620182 459376549 /nfs/dbraw/zinc/37/65/49/459376549.db2.gz YLZGWDQBSGOJFZ-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000524620182 459376557 /nfs/dbraw/zinc/37/65/57/459376557.db2.gz YLZGWDQBSGOJFZ-IBGZPJMESA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000525981457 459525519 /nfs/dbraw/zinc/52/55/19/459525519.db2.gz DKADNTORCHEYTP-OAQYLSRUSA-N 1 3 331.548 3.434 10 0 EGAEHO CN(C)[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380938 459528086 /nfs/dbraw/zinc/52/80/86/459528086.db2.gz NTZIASFJKJQXDH-PMACEKPBSA-N 1 3 327.516 3.113 10 0 EGAEHO CCCC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000572942882 459599570 /nfs/dbraw/zinc/59/95/70/459599570.db2.gz UOUWSQJRBMSZRF-FXAWDEMLSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000572942882 459599575 /nfs/dbraw/zinc/59/95/75/459599575.db2.gz UOUWSQJRBMSZRF-FXAWDEMLSA-N 1 3 349.563 3.410 10 0 EGAEHO CCOC(=O)C1([C@@H](C)NC2(c3ccccc3F)CCC2)CC[NH2+]CC1 ZINC000592470817 459609221 /nfs/dbraw/zinc/60/92/21/459609221.db2.gz JVWMPZRLRJTORI-OAHLLOKOSA-N 1 3 348.462 3.116 10 0 EGAEHO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](N)c4ccccc43)C2)c1 ZINC000584047353 459641125 /nfs/dbraw/zinc/64/11/25/459641125.db2.gz NBXHDBDNHGFFAP-IWMITWMQSA-N 1 3 337.467 3.398 10 0 EGAEHO CC(C)C[C@@H](CNC1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC000562969022 459682658 /nfs/dbraw/zinc/68/26/58/459682658.db2.gz ZIPULTMLGRXJOI-KRWDZBQOSA-N 1 3 338.536 3.454 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623945293 460790549 /nfs/dbraw/zinc/79/05/49/460790549.db2.gz HTQMDMIIXYLYBP-QGZVFWFLSA-N 1 3 330.520 3.113 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623945293 460790552 /nfs/dbraw/zinc/79/05/52/460790552.db2.gz HTQMDMIIXYLYBP-QGZVFWFLSA-N 1 3 330.520 3.113 10 0 EGAEHO COc1ccc([C@@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1F ZINC000629588456 460817728 /nfs/dbraw/zinc/81/77/28/460817728.db2.gz HXHDKMUQZXKWDO-GOSISDBHSA-N 1 3 340.442 3.470 10 0 EGAEHO C[NH2+]CCOCCN(C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000629653569 460849859 /nfs/dbraw/zinc/84/98/59/460849859.db2.gz QEBPEAIOHNPUPD-UHFFFAOYSA-N 1 3 338.398 3.109 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ccco2)s1 ZINC000617506180 460883528 /nfs/dbraw/zinc/88/35/28/460883528.db2.gz DSIPVYLOCAGNCW-AWEZNQCLSA-N 1 3 349.500 3.010 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ccco2)s1 ZINC000617506180 460883534 /nfs/dbraw/zinc/88/35/34/460883534.db2.gz DSIPVYLOCAGNCW-AWEZNQCLSA-N 1 3 349.500 3.010 10 0 EGAEHO Cc1cc2occ(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2cc1C ZINC000617507171 460883871 /nfs/dbraw/zinc/88/38/71/460883871.db2.gz LGOAEDWUNMIFAR-INIZCTEOSA-N 1 3 345.487 3.051 10 0 EGAEHO Cc1cc2occ(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2cc1C ZINC000617507171 460883876 /nfs/dbraw/zinc/88/38/76/460883876.db2.gz LGOAEDWUNMIFAR-INIZCTEOSA-N 1 3 345.487 3.051 10 0 EGAEHO Fc1cccc(Cl)c1C[C@H]1CCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252377 461144836 /nfs/dbraw/zinc/14/48/36/461144836.db2.gz NHLQGNULCXHGJO-ZIAGYGMSSA-N 1 3 338.854 3.007 10 0 EGAEHO C[C@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1cc(F)c(Cl)cc1Cl ZINC000662280824 461163808 /nfs/dbraw/zinc/16/38/08/461163808.db2.gz GBQMUBRVDPRWTE-VHSXEESVSA-N 1 3 333.234 3.304 10 0 EGAEHO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662284044 461165680 /nfs/dbraw/zinc/16/56/80/461165680.db2.gz WUJIRAXLZCJYFD-QZTJIDSGSA-N 1 3 342.508 3.451 10 0 EGAEHO c1ccc(N2CC[C@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106086 461242858 /nfs/dbraw/zinc/24/28/58/461242858.db2.gz YKTZDBXMUZJZFI-TZIWHRDSSA-N 1 3 327.516 3.463 10 0 EGAEHO CC[N@H+](CCCNC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000659327613 461296599 /nfs/dbraw/zinc/29/65/99/461296599.db2.gz QTRVVXIIMRIVBY-FQEVSTJZSA-N 1 3 343.515 3.382 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000659327613 461296601 /nfs/dbraw/zinc/29/66/01/461296601.db2.gz QTRVVXIIMRIVBY-FQEVSTJZSA-N 1 3 343.515 3.382 10 0 EGAEHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199754 461644090 /nfs/dbraw/zinc/64/40/90/461644090.db2.gz BZDVBQSRFMOXMG-CABCVRRESA-N 1 3 328.378 3.476 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479406 461725247 /nfs/dbraw/zinc/72/52/47/461725247.db2.gz GDFDJAARDWJIMN-WDYCEAGBSA-N 1 3 334.479 3.477 10 0 EGAEHO c1nc(-c2ccccn2)sc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543539 461756596 /nfs/dbraw/zinc/75/65/96/461756596.db2.gz OZAIZFGRDMLCQK-HZPDHXFCSA-N 1 3 342.512 3.417 10 0 EGAEHO Fc1ccc(-n2nccc2CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783315 461892908 /nfs/dbraw/zinc/89/29/08/461892908.db2.gz OWTGGJUDKIQYEM-QGZVFWFLSA-N 1 3 342.462 3.223 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000650718272 461909366 /nfs/dbraw/zinc/90/93/66/461909366.db2.gz FLIMMXDEMNYZGV-NRFANRHFSA-N 1 3 340.467 3.254 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2ccccc21 ZINC000664315028 462015702 /nfs/dbraw/zinc/01/57/02/462015702.db2.gz QAPJYVYBBAHLKT-INIZCTEOSA-N 1 3 342.487 3.233 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2ccccc21 ZINC000664315028 462015706 /nfs/dbraw/zinc/01/57/06/462015706.db2.gz QAPJYVYBBAHLKT-INIZCTEOSA-N 1 3 342.487 3.233 10 0 EGAEHO CN1CCC([N@@H+]2CC[C@H](NCc3cc(Cl)sc3Cl)C2)CC1 ZINC000648450327 462123953 /nfs/dbraw/zinc/12/39/53/462123953.db2.gz BAVYPBIXFMRAEP-LBPRGKRZSA-N 1 3 348.343 3.313 10 0 EGAEHO CN1CCC([N@H+]2CC[C@H](NCc3cc(Cl)sc3Cl)C2)CC1 ZINC000648450327 462123959 /nfs/dbraw/zinc/12/39/59/462123959.db2.gz BAVYPBIXFMRAEP-LBPRGKRZSA-N 1 3 348.343 3.313 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C[C@H](C)O1 ZINC000648515094 462156034 /nfs/dbraw/zinc/15/60/34/462156034.db2.gz UUYSRAQLRODBNB-UDPGMGRYSA-N 1 3 328.500 3.443 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(F)cc3)cc2)C1 ZINC000657595400 462196929 /nfs/dbraw/zinc/19/69/29/462196929.db2.gz ICXOSTMXHUAPDS-BTFLMBNSSA-N 1 3 340.442 3.195 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc4occc4c3)cc2)C1 ZINC000657596201 462197261 /nfs/dbraw/zinc/19/72/61/462197261.db2.gz MCUGSKHOSMHBPN-FQEVSTJZSA-N 1 3 336.435 3.289 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4occc4c3)cc2)C1 ZINC000657596201 462197264 /nfs/dbraw/zinc/19/72/64/462197264.db2.gz MCUGSKHOSMHBPN-FQEVSTJZSA-N 1 3 336.435 3.289 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)C1 ZINC000657596839 462199074 /nfs/dbraw/zinc/19/90/74/462199074.db2.gz ZOAWGPANMTWEAQ-IBGZPJMESA-N 1 3 335.451 3.024 10 0 EGAEHO CC1(C)C[N@@H+]([C@H]2CCOC2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837071 462210315 /nfs/dbraw/zinc/21/03/15/462210315.db2.gz MMCFCVMBRWNGTF-PMACEKPBSA-N 1 3 328.500 3.398 10 0 EGAEHO CC1(C)C[N@H+]([C@H]2CCOC2)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837071 462210319 /nfs/dbraw/zinc/21/03/19/462210319.db2.gz MMCFCVMBRWNGTF-PMACEKPBSA-N 1 3 328.500 3.398 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681885 462211273 /nfs/dbraw/zinc/21/12/73/462211273.db2.gz UNUSIPGXSAUPPI-IBGZPJMESA-N 1 3 329.488 3.409 10 0 EGAEHO CC[N@H+](CCC1CCN(Cc2cnn3c2CCC3)CC1)CC1CC1 ZINC000667758585 462249637 /nfs/dbraw/zinc/24/96/37/462249637.db2.gz JJKUUKFGBXLLAF-UHFFFAOYSA-N 1 3 330.520 3.163 10 0 EGAEHO CC[N@@H+](CCC1CCN(Cc2cnn3c2CCC3)CC1)CC1CC1 ZINC000667758585 462249645 /nfs/dbraw/zinc/24/96/45/462249645.db2.gz JJKUUKFGBXLLAF-UHFFFAOYSA-N 1 3 330.520 3.163 10 0 EGAEHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000657838657 462291036 /nfs/dbraw/zinc/29/10/36/462291036.db2.gz DWDVEYATQAMIQX-FQEVSTJZSA-N 1 3 347.572 3.199 10 0 EGAEHO COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000657969719 462331841 /nfs/dbraw/zinc/33/18/41/462331841.db2.gz UESZZDUNHHDOHA-WDSOQIARSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969719 462331845 /nfs/dbraw/zinc/33/18/45/462331845.db2.gz UESZZDUNHHDOHA-WDSOQIARSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H](CC1CCOCC1)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969719 462331849 /nfs/dbraw/zinc/33/18/49/462331849.db2.gz UESZZDUNHHDOHA-WDSOQIARSA-N 1 3 338.536 3.061 10 0 EGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000658033735 462352833 /nfs/dbraw/zinc/35/28/33/462352833.db2.gz CKAURHTXPOBIJP-OAHLLOKOSA-N 1 3 340.458 3.283 10 0 EGAEHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CCc2ccco2)cc1 ZINC000665256740 462372994 /nfs/dbraw/zinc/37/29/94/462372994.db2.gz LDOUYCXBVUTOGR-YSSFQJQWSA-N 1 3 328.456 3.345 10 0 EGAEHO NC[C@H]1CCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265576 462376540 /nfs/dbraw/zinc/37/65/40/462376540.db2.gz YPWWNTNXPBCQIS-GDBMZVCRSA-N 1 3 337.305 3.489 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H]1CCc2cc(Br)ccc2C1 ZINC000665280462 462383291 /nfs/dbraw/zinc/38/32/91/462383291.db2.gz BZAFINKPQOFLBR-JKSUJKDBSA-N 1 3 325.294 3.269 10 0 EGAEHO C[C@H]1C[C@H](NC2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103315 462384727 /nfs/dbraw/zinc/38/47/27/462384727.db2.gz USSYWJBYEMOOOW-RXQRSOPUSA-N 1 3 339.487 3.317 10 0 EGAEHO C[C@H]1C[C@H](NC2CCC([N@@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103315 462384729 /nfs/dbraw/zinc/38/47/29/462384729.db2.gz USSYWJBYEMOOOW-RXQRSOPUSA-N 1 3 339.487 3.317 10 0 EGAEHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1cnc2ccsc2c1 ZINC000658108761 462389397 /nfs/dbraw/zinc/38/93/97/462389397.db2.gz QDGFXSZHWXNANA-LSDHHAIUSA-N 1 3 334.533 3.219 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)C1 ZINC000658138021 462402728 /nfs/dbraw/zinc/40/27/28/462402728.db2.gz LUAAYZKENLYEHO-HXUWFJFHSA-N 1 3 328.500 3.312 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)C1 ZINC000658138020 462402986 /nfs/dbraw/zinc/40/29/86/462402986.db2.gz LUAAYZKENLYEHO-FQEVSTJZSA-N 1 3 328.500 3.312 10 0 EGAEHO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658143022 462404594 /nfs/dbraw/zinc/40/45/94/462404594.db2.gz GBDGLUVGURNLMR-GCJKJVERSA-N 1 3 338.495 3.364 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[C@@]2(O)CCCOC2)CC1 ZINC000652044698 462415472 /nfs/dbraw/zinc/41/54/72/462415472.db2.gz RTCAJLWODDGKNG-FQEVSTJZSA-N 1 3 340.552 3.187 10 0 EGAEHO O[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248110 462442588 /nfs/dbraw/zinc/44/25/88/462442588.db2.gz CBNFRNAOFBKKJT-OUUBHVDSSA-N 1 3 326.484 3.075 10 0 EGAEHO O[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C12CCC2 ZINC000658248110 462442592 /nfs/dbraw/zinc/44/25/92/462442592.db2.gz CBNFRNAOFBKKJT-OUUBHVDSSA-N 1 3 326.484 3.075 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139847 462447512 /nfs/dbraw/zinc/44/75/12/462447512.db2.gz XCJSJKQBJKCGEV-NRFANRHFSA-N 1 3 344.547 3.320 10 0 EGAEHO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000351802997 535504979 /nfs/dbraw/zinc/50/49/79/535504979.db2.gz DLKNPUUBSXWBHE-UHFFFAOYSA-N 1 3 345.531 3.476 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339069556 547569340 /nfs/dbraw/zinc/56/93/40/547569340.db2.gz XGMFALINTRIVHL-YESZJQIVSA-N 1 3 349.469 3.146 10 0 EGAEHO Fc1cccc(F)c1CN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339069556 547569346 /nfs/dbraw/zinc/56/93/46/547569346.db2.gz XGMFALINTRIVHL-YESZJQIVSA-N 1 3 349.469 3.146 10 0 EGAEHO C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000675749362 548973707 /nfs/dbraw/zinc/97/37/07/548973707.db2.gz UCCKVCHOZDHFLX-XAPVIXHLSA-N 1 3 343.559 3.465 10 0 EGAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc2cnccc21 ZINC000685455974 550418301 /nfs/dbraw/zinc/41/83/01/550418301.db2.gz GHBJHHIAVDHHMJ-HXUWFJFHSA-N 1 3 340.515 3.083 10 0 EGAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc2cnccc21 ZINC000685455974 550418303 /nfs/dbraw/zinc/41/83/03/550418303.db2.gz GHBJHHIAVDHHMJ-HXUWFJFHSA-N 1 3 340.515 3.083 10 0 EGAEHO c1ccc(CN2CC[C@H](C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)C2)cc1 ZINC000380927626 1297547800 /nfs/dbraw/zinc/54/78/00/1297547800.db2.gz DEPIGJROEQPGTA-DHIUTWEWSA-N 1 3 349.522 3.373 10 0 EGAEHO C[C@@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659137 1297572746 /nfs/dbraw/zinc/57/27/46/1297572746.db2.gz IWXXWKQPKJYGLB-JKSUJKDBSA-N 1 3 339.524 3.273 10 0 EGAEHO CNc1ncccc1CN(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719959546 1298325178 /nfs/dbraw/zinc/32/51/78/1298325178.db2.gz RBDVUFYUJWQVNS-UHFFFAOYSA-N 1 3 338.499 3.467 10 0 EGAEHO Cc1coc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000894076299 1306203741 /nfs/dbraw/zinc/20/37/41/1306203741.db2.gz QKJQSNVSNCGCPN-UHFFFAOYSA-N 1 3 333.520 3.216 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CC[C@H](CO)C1)c1ccccc1 ZINC000929697106 1328670635 /nfs/dbraw/zinc/67/06/35/1328670635.db2.gz QNTNVTSCOHNWJS-UNMCSNQZSA-N 1 3 338.495 3.216 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@H](CO)C1)c1ccccc1 ZINC000929697106 1328670638 /nfs/dbraw/zinc/67/06/38/1328670638.db2.gz QNTNVTSCOHNWJS-UNMCSNQZSA-N 1 3 338.495 3.216 10 0 EGAEHO CN(C)Cc1ccc(NC(=O)CCCC[NH+](C)C)cc1C(F)(F)F ZINC000899671742 1317128827 /nfs/dbraw/zinc/12/88/27/1317128827.db2.gz BAFIKJYFHNBELZ-UHFFFAOYSA-N 1 3 345.409 3.437 10 0 EGAEHO c1cc(C[NH+]2CCCCC2)cc(-c2noc(C34CCC(CC3)N4)n2)c1 ZINC000899998101 1317214655 /nfs/dbraw/zinc/21/46/55/1317214655.db2.gz CEJJDLMWHZMCNM-UHFFFAOYSA-N 1 3 338.455 3.464 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110692 1328685772 /nfs/dbraw/zinc/68/57/72/1328685772.db2.gz YCRUXRLAOXNTJD-WFASDCNBSA-N 1 3 330.394 3.201 10 0 EGAEHO c1ccc2c(c1)CC[C@H]2CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284762 1329085131 /nfs/dbraw/zinc/08/51/31/1329085131.db2.gz BDMQNGMMTACWRJ-IBGZPJMESA-N 1 3 328.500 3.293 10 0 EGAEHO c1ccc2c(c1)CC[C@H]2CCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284762 1329085136 /nfs/dbraw/zinc/08/51/36/1329085136.db2.gz BDMQNGMMTACWRJ-IBGZPJMESA-N 1 3 328.500 3.293 10 0 EGAEHO COc1ccc2[nH]cc(CC[NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)c2c1 ZINC000925485497 1325171658 /nfs/dbraw/zinc/17/16/58/1325171658.db2.gz CVHWPGDRFJYBJZ-MNEFBYGVSA-N 1 3 327.472 3.085 10 0 EGAEHO COc1ccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cc1OC ZINC000925487530 1325172637 /nfs/dbraw/zinc/17/26/37/1325172637.db2.gz CYRXTKCHHMHZFN-ROUUACIJSA-N 1 3 332.488 3.004 10 0 EGAEHO CC1CCN([C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506427 1325182106 /nfs/dbraw/zinc/18/21/06/1325182106.db2.gz ZAXDHTZQFGMODZ-NXHRZFHOSA-N 1 3 333.545 3.381 10 0 EGAEHO CC1CCN([C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506423 1325182329 /nfs/dbraw/zinc/18/23/29/1325182329.db2.gz ZAXDHTZQFGMODZ-KBAYOESNSA-N 1 3 333.545 3.381 10 0 EGAEHO OC[C@]1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@H]1c1ccc(F)cc1 ZINC000925651296 1325247692 /nfs/dbraw/zinc/24/76/92/1325247692.db2.gz ABSPPFRLVHKNJV-PLACYPQZSA-N 1 3 346.490 3.050 10 0 EGAEHO OC[C@]1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C[C@H]1c1ccc(F)cc1 ZINC000925651296 1325247700 /nfs/dbraw/zinc/24/77/00/1325247700.db2.gz ABSPPFRLVHKNJV-PLACYPQZSA-N 1 3 346.490 3.050 10 0 EGAEHO Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925776813 1325295064 /nfs/dbraw/zinc/29/50/64/1325295064.db2.gz MKSDVFUKPVBRBN-KMFMINBZSA-N 1 3 342.405 3.128 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000925784471 1325300801 /nfs/dbraw/zinc/30/08/01/1325300801.db2.gz RZWDWMQIAWGGTK-WBVHZDCISA-N 1 3 336.426 3.223 10 0 EGAEHO CC(C)[C@@H](Cc1ccc(F)cc1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794085 1325304606 /nfs/dbraw/zinc/30/46/06/1325304606.db2.gz GIAMVMFEZKUKIE-RBUKOAKNSA-N 1 3 334.479 3.141 10 0 EGAEHO [NH3+]C1CCN(CCN[C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000925814665 1325313625 /nfs/dbraw/zinc/31/36/25/1325313625.db2.gz LAIQNJGITQHYGU-GFCCVEGCSA-N 1 3 348.343 3.445 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843938 1325324717 /nfs/dbraw/zinc/32/47/17/1325324717.db2.gz UWSRGDZEBAPEBV-POZUXBRTSA-N 1 3 349.906 3.487 10 0 EGAEHO COc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000925876950 1325339673 /nfs/dbraw/zinc/33/96/73/1325339673.db2.gz JYODJPHGSWRFRB-ZDUSSCGKSA-N 1 3 329.444 3.025 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCN(CC3CC3)C2)n(C)n1 ZINC000926737319 1327693362 /nfs/dbraw/zinc/69/33/62/1327693362.db2.gz FMKUSCAYCPHWOD-SVFBPWRDSA-N 1 3 344.547 3.151 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000926893425 1327761603 /nfs/dbraw/zinc/76/16/03/1327761603.db2.gz QHPVQFGSIHMGCD-ZMWHVPEISA-N 1 3 327.516 3.254 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000866697084 1330141951 /nfs/dbraw/zinc/14/19/51/1330141951.db2.gz FIZNEJXTGZPLQM-FXAWDEMLSA-N 1 3 332.488 3.161 10 0 EGAEHO C[C@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1)c1ccc(Cl)cc1 ZINC001323459927 1387373076 /nfs/dbraw/zinc/37/30/76/1387373076.db2.gz OIKLKVFHSYHIEJ-AWEZNQCLSA-N 1 3 349.906 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001323871837 1387484719 /nfs/dbraw/zinc/48/47/19/1387484719.db2.gz GCLZTXAQOJVFBE-QYUKCPRWSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001323871837 1387484722 /nfs/dbraw/zinc/48/47/22/1387484722.db2.gz GCLZTXAQOJVFBE-QYUKCPRWSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001324556316 1387671878 /nfs/dbraw/zinc/67/18/78/1387671878.db2.gz GRXOYEJRBOBLQC-FPOVZHCZSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001324556316 1387671883 /nfs/dbraw/zinc/67/18/83/1387671883.db2.gz GRXOYEJRBOBLQC-FPOVZHCZSA-N 1 3 349.563 3.223 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647781 1387717670 /nfs/dbraw/zinc/71/76/70/1387717670.db2.gz QNVGYARTQQKWNV-AZUAARDMSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1)N(CC)CC ZINC001324647781 1387717672 /nfs/dbraw/zinc/71/76/72/1387717672.db2.gz QNVGYARTQQKWNV-AZUAARDMSA-N 1 3 349.563 3.268 10 0 EGAEHO COCCN(Cc1ccc(Cl)cc1OC)CC1CC[NH+](C)CC1 ZINC001196781394 1368683630 /nfs/dbraw/zinc/68/36/30/1368683630.db2.gz AOTOKGLWDLXTSW-UHFFFAOYSA-N 1 3 340.895 3.139 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001325943258 1388094372 /nfs/dbraw/zinc/09/43/72/1388094372.db2.gz UENJZCCIKGCTLR-XUVXKRRUSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001325943258 1388094378 /nfs/dbraw/zinc/09/43/78/1388094378.db2.gz UENJZCCIKGCTLR-XUVXKRRUSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001327157809 1388413750 /nfs/dbraw/zinc/41/37/50/1388413750.db2.gz VCNVLDFELBZECV-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001327157809 1388413754 /nfs/dbraw/zinc/41/37/54/1388413754.db2.gz VCNVLDFELBZECV-RBUKOAKNSA-N 1 3 337.552 3.412 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001265627596 1377155504 /nfs/dbraw/zinc/15/55/04/1377155504.db2.gz FFWWPPISVKQEAP-KKHYBRAUSA-N 1 3 349.563 3.293 10 0 EGAEHO CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001266884486 1377400016 /nfs/dbraw/zinc/40/00/16/1377400016.db2.gz PLTDWYRERQMWCT-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)c(C)c1 ZINC001272344199 1377666358 /nfs/dbraw/zinc/66/63/58/1377666358.db2.gz RSTUZTMQTSROOK-WOJBJXKFSA-N 1 3 345.531 3.018 10 0 EGAEHO CCC1([NH2+]CCC2CC2)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001327473737 1388528849 /nfs/dbraw/zinc/52/88/49/1388528849.db2.gz BTEOMBVZOOLEJG-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC1([NH2+]CCCC2CCC2)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001327474974 1388529257 /nfs/dbraw/zinc/52/92/57/1388529257.db2.gz RNWXCBSTGMXDCS-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC)([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001327488516 1388533338 /nfs/dbraw/zinc/53/33/38/1388533338.db2.gz KSSXUCMARUTMST-LJQANCHMSA-N 1 3 345.531 3.196 10 0 EGAEHO CN(C)C1(C(=O)N(C)C2CCC([NH2+]CC3CC(C)(C)C3)CC2)CCC1 ZINC001275609046 1378148208 /nfs/dbraw/zinc/14/82/08/1378148208.db2.gz KEYBHTHCWVLWJA-UHFFFAOYSA-N 1 3 349.563 3.266 10 0 EGAEHO CN(CC(=O)NC1CC(C[NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001282059367 1378470172 /nfs/dbraw/zinc/47/01/72/1378470172.db2.gz YYJXVKOFXRAHJI-UHFFFAOYSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001282129995 1378478481 /nfs/dbraw/zinc/47/84/81/1378478481.db2.gz VRLZACZURQMEOL-ROUUACIJSA-N 1 3 345.531 3.242 10 0 EGAEHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001282167563 1378482917 /nfs/dbraw/zinc/48/29/17/1378482917.db2.gz MDQSRSDJEWZTEE-QZTJIDSGSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001282275286 1378494089 /nfs/dbraw/zinc/49/40/89/1378494089.db2.gz XPGLTJXVGFXXTI-UHFFFAOYSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248731 1378771128 /nfs/dbraw/zinc/77/11/28/1378771128.db2.gz OLZMKPVOHIFLNT-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001284702192 1380117208 /nfs/dbraw/zinc/11/72/08/1380117208.db2.gz KRTLYWGRXKOODW-QGZVFWFLSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccccc2CC)CC1 ZINC001328048316 1388653194 /nfs/dbraw/zinc/65/31/94/1388653194.db2.gz DYPVQVYKRSTECK-UHFFFAOYSA-N 1 3 345.531 3.062 10 0 EGAEHO C[C@H](COCc1ccccc1)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308041505 1384079760 /nfs/dbraw/zinc/07/97/60/1384079760.db2.gz VIXCYDRSMCUUAH-RBUKOAKNSA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@H](COCc1ccccc1)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308041505 1384079763 /nfs/dbraw/zinc/07/97/63/1384079763.db2.gz VIXCYDRSMCUUAH-RBUKOAKNSA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@H](COCc1ccccc1)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041505 1384079766 /nfs/dbraw/zinc/07/97/66/1384079766.db2.gz VIXCYDRSMCUUAH-RBUKOAKNSA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600917 1384467626 /nfs/dbraw/zinc/46/76/26/1384467626.db2.gz CVUPBIMZCDQGOE-ROUUACIJSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600917 1384467629 /nfs/dbraw/zinc/46/76/29/1384467629.db2.gz CVUPBIMZCDQGOE-ROUUACIJSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601432 1384468258 /nfs/dbraw/zinc/46/82/58/1384468258.db2.gz PWDQUSPNVGNYPW-MSOLQXFVSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601432 1384468259 /nfs/dbraw/zinc/46/82/59/1384468259.db2.gz PWDQUSPNVGNYPW-MSOLQXFVSA-N 1 3 337.552 3.076 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001316624304 1384490094 /nfs/dbraw/zinc/49/00/94/1384490094.db2.gz LRLNBHBAQYGAJF-IZAXUBKRSA-N 1 3 345.531 3.282 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996009 1384753069 /nfs/dbraw/zinc/75/30/69/1384753069.db2.gz UGDLFPQNNAVSFV-VQTJNVASSA-N 1 3 347.547 3.188 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099921 1384863109 /nfs/dbraw/zinc/86/31/09/1384863109.db2.gz LEXYIKIXMDKYSI-PXIXMTEYSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCC)C1 ZINC001317099921 1384863112 /nfs/dbraw/zinc/86/31/12/1384863112.db2.gz LEXYIKIXMDKYSI-PXIXMTEYSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001317221109 1385001657 /nfs/dbraw/zinc/00/16/57/1385001657.db2.gz VWHXDZRJBHJFEH-UHFFFAOYSA-N 1 3 334.508 3.104 10 0 EGAEHO CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(C)(C)C)N(C)C ZINC001317434789 1385138312 /nfs/dbraw/zinc/13/83/12/1385138312.db2.gz LDSSRKAKLXEOGU-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CCC(C)(C)C)N(C)C ZINC001317434789 1385138314 /nfs/dbraw/zinc/13/83/14/1385138314.db2.gz LDSSRKAKLXEOGU-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001329102175 1388968486 /nfs/dbraw/zinc/96/84/86/1388968486.db2.gz BRVHBEQVCOIASX-DLBZAZTESA-N 1 3 335.536 3.234 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001317513255 1385226092 /nfs/dbraw/zinc/22/60/92/1385226092.db2.gz JCXKNCQGYHSWHL-KPDZFXRVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001317513255 1385226094 /nfs/dbraw/zinc/22/60/94/1385226094.db2.gz JCXKNCQGYHSWHL-KPDZFXRVSA-N 1 3 349.563 3.434 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681448 1385390270 /nfs/dbraw/zinc/39/02/70/1385390270.db2.gz IWBYJAPVLDECOZ-PKOBYXMFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CCC2CCCCC2)C1 ZINC001317861407 1385545407 /nfs/dbraw/zinc/54/54/07/1385545407.db2.gz ABBVAZNADXWHKR-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCCC2)C1 ZINC001317861407 1385545410 /nfs/dbraw/zinc/54/54/10/1385545410.db2.gz ABBVAZNADXWHKR-LJQANCHMSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317861963 1385546330 /nfs/dbraw/zinc/54/63/30/1385546330.db2.gz FTZKZCGXQFXARM-LJQANCHMSA-N 1 3 345.531 3.332 10 0 EGAEHO CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317861963 1385546334 /nfs/dbraw/zinc/54/63/34/1385546334.db2.gz FTZKZCGXQFXARM-LJQANCHMSA-N 1 3 345.531 3.332 10 0 EGAEHO CCC/C=C/CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317975593 1385594953 /nfs/dbraw/zinc/59/49/53/1385594953.db2.gz PGFQIVWDUYUCDB-RLWBPELLSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317975593 1385594957 /nfs/dbraw/zinc/59/49/57/1385594957.db2.gz PGFQIVWDUYUCDB-RLWBPELLSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317988622 1385602536 /nfs/dbraw/zinc/60/25/36/1385602536.db2.gz YTMNXWZLZWGBPM-HKUYNNGSSA-N 1 3 331.504 3.060 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317993782 1385605266 /nfs/dbraw/zinc/60/52/66/1385605266.db2.gz CNTNPZGRBZMZLF-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317993782 1385605269 /nfs/dbraw/zinc/60/52/69/1385605269.db2.gz CNTNPZGRBZMZLF-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001318982845 1385908783 /nfs/dbraw/zinc/90/87/83/1385908783.db2.gz BOQKKGXIMUQWPW-XSLAGTTESA-N 1 3 341.515 3.016 10 0 EGAEHO C[C@H](C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1)N1CCCCCC1 ZINC001698632933 1406276945 /nfs/dbraw/zinc/27/69/45/1406276945.db2.gz CUWWPZJPKMTTHI-GOSISDBHSA-N 1 3 349.563 3.460 10 0 EGAEHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001319929715 1386397796 /nfs/dbraw/zinc/39/77/96/1386397796.db2.gz QUIZPNPCWMGHJV-SFHVURJKSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001698651637 1406301367 /nfs/dbraw/zinc/30/13/67/1406301367.db2.gz IJLCGIJTBFXSAL-CTNGQTDRSA-N 1 3 345.531 3.018 10 0 EGAEHO CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@H]1CCCCN1CC ZINC001320928110 1386761095 /nfs/dbraw/zinc/76/10/95/1386761095.db2.gz GGHZBCRADHINRR-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC(C)(C)C ZINC001322168393 1387085990 /nfs/dbraw/zinc/08/59/90/1387085990.db2.gz IVIGFXLWIUDDAD-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC(C)(C)C ZINC001322168393 1387085986 /nfs/dbraw/zinc/08/59/86/1387085986.db2.gz IVIGFXLWIUDDAD-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322346620 1387165864 /nfs/dbraw/zinc/16/58/64/1387165864.db2.gz PFAIHLOMYWCXAT-DSQZMVHQSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001322694316 1387226770 /nfs/dbraw/zinc/22/67/70/1387226770.db2.gz PICKDEIEBJVQBS-SFHVURJKSA-N 1 3 347.547 3.472 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC=C(C)C)CC1 ZINC001329256319 1389037393 /nfs/dbraw/zinc/03/73/93/1389037393.db2.gz AZLPHBUYEUXZPO-CTWPCTMYSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCCCC1 ZINC001329460236 1389118036 /nfs/dbraw/zinc/11/80/36/1389118036.db2.gz PKLAOIDBDVMVON-PKOBYXMFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001329460236 1389118040 /nfs/dbraw/zinc/11/80/40/1389118040.db2.gz PKLAOIDBDVMVON-PKOBYXMFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001698740037 1406391337 /nfs/dbraw/zinc/39/13/37/1406391337.db2.gz WKPMJSQEKWIXTQ-FPLPWBNLSA-N 1 3 349.563 3.389 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001698740037 1406391344 /nfs/dbraw/zinc/39/13/44/1406391344.db2.gz WKPMJSQEKWIXTQ-FPLPWBNLSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001331576252 1389808999 /nfs/dbraw/zinc/80/89/99/1389808999.db2.gz NQJAIYGWCNZJFS-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001332140728 1390004814 /nfs/dbraw/zinc/00/48/14/1390004814.db2.gz PACJTGILVAWWLU-IPMKNSEASA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001332158096 1390011043 /nfs/dbraw/zinc/01/10/43/1390011043.db2.gz KDLQQFLVDROJGZ-SLFFLAALSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001332949319 1390222199 /nfs/dbraw/zinc/22/21/99/1390222199.db2.gz BLIKFUQLLXSHRK-VQIMIIECSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1)N1CCCCCC1 ZINC001333003747 1390234241 /nfs/dbraw/zinc/23/42/41/1390234241.db2.gz FARAROXKKXNGSX-ZWKOTPCHSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001698802158 1406479326 /nfs/dbraw/zinc/47/93/26/1406479326.db2.gz BWFHVUNWTGJWKP-QZTJIDSGSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001698804488 1406484204 /nfs/dbraw/zinc/48/42/04/1406484204.db2.gz VIIAGMSBMAUDBX-ROUUACIJSA-N 1 3 349.563 3.458 10 0 EGAEHO CCC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001698805904 1406487185 /nfs/dbraw/zinc/48/71/85/1406487185.db2.gz ZKEWEPATBWZWTE-SREVYHEPSA-N 1 3 347.547 3.142 10 0 EGAEHO C[NH+](C)CCCC(=O)N1CCCCC[C@@H](NCc2ccccc2F)C1 ZINC001479690396 1392321910 /nfs/dbraw/zinc/32/19/10/1392321910.db2.gz OJXRMESXENQQKA-GOSISDBHSA-N 1 3 349.494 3.028 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1)N(C)C ZINC001479735693 1392346346 /nfs/dbraw/zinc/34/63/46/1392346346.db2.gz AFHNJRWDYFUOGF-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CCCC1)N(C)C ZINC001479735693 1392346350 /nfs/dbraw/zinc/34/63/50/1392346350.db2.gz AFHNJRWDYFUOGF-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN(C)CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001479894974 1392464120 /nfs/dbraw/zinc/46/41/20/1392464120.db2.gz AKFDAQKXKVWVRE-UHFFFAOYSA-N 1 3 335.536 3.142 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1)N(C)C ZINC001480350881 1392699805 /nfs/dbraw/zinc/69/98/05/1392699805.db2.gz FDUNQWNTGJLDJY-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480682148 1392850666 /nfs/dbraw/zinc/85/06/66/1392850666.db2.gz CPGKKRGNBLGLTN-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481112503 1393122884 /nfs/dbraw/zinc/12/28/84/1393122884.db2.gz KEHDVFTWJRRECL-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481112503 1393122885 /nfs/dbraw/zinc/12/28/85/1393122885.db2.gz KEHDVFTWJRRECL-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)NCC[N@H+](CCC2CCCCC2)C2CC2)CCC1 ZINC001481172814 1393141130 /nfs/dbraw/zinc/14/11/30/1393141130.db2.gz IKMFUTDEGSITHI-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CN(C)C1(C(=O)NCC[N@@H+](CCC2CCCCC2)C2CC2)CCC1 ZINC001481172814 1393141132 /nfs/dbraw/zinc/14/11/32/1393141132.db2.gz IKMFUTDEGSITHI-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H]([NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001481278803 1393157361 /nfs/dbraw/zinc/15/73/61/1393157361.db2.gz ABKWNIXJJGSQFT-JXFKEZNVSA-N 1 3 349.494 3.008 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938767 1406679114 /nfs/dbraw/zinc/67/91/14/1406679114.db2.gz NWZIDNXJZMUBHK-AZUAARDMSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC=C(C)C)c2ccccc2)CC[N@@H+]1C ZINC001481367312 1394206969 /nfs/dbraw/zinc/20/69/69/1394206969.db2.gz PXCPIXLKWDLAFV-XUVXKRRUSA-N 1 3 343.515 3.130 10 0 EGAEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC=C(C)C)c2ccccc2)CC[N@H+]1C ZINC001481367312 1394206974 /nfs/dbraw/zinc/20/69/74/1394206974.db2.gz PXCPIXLKWDLAFV-XUVXKRRUSA-N 1 3 343.515 3.130 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001698946997 1406686719 /nfs/dbraw/zinc/68/67/19/1406686719.db2.gz RCVDHHNAQJBLMQ-ZMGAVLDPSA-N 1 3 335.536 3.044 10 0 EGAEHO CCCc1ccc(CN2CC[C@H](N(CC)C(=O)CC[NH+](C)C)C2)cc1 ZINC001481773882 1394518421 /nfs/dbraw/zinc/51/84/21/1394518421.db2.gz FGNOFXDHQCQYSV-FQEVSTJZSA-N 1 3 345.531 3.014 10 0 EGAEHO CC(C)C[NH2+]CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001482008376 1394668011 /nfs/dbraw/zinc/66/80/11/1394668011.db2.gz QQBRIUKTRILMIC-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001482020191 1394676772 /nfs/dbraw/zinc/67/67/72/1394676772.db2.gz JBQNGRDCPCTEFO-IYARVYRRSA-N 1 3 337.552 3.458 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001482027592 1394686531 /nfs/dbraw/zinc/68/65/31/1394686531.db2.gz IYBPZDMRMQZXHF-GUDVDZBRSA-N 1 3 345.531 3.413 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001482431318 1394992198 /nfs/dbraw/zinc/99/21/98/1394992198.db2.gz AYDOWNBHOMBDRM-MJGOQNOKSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481569 1395035457 /nfs/dbraw/zinc/03/54/57/1395035457.db2.gz ZXYCAHAKVAVZRZ-ROUUACIJSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501632 1395054249 /nfs/dbraw/zinc/05/42/49/1395054249.db2.gz RGVUZKKYUUZEQR-UYAOXDASSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001483967261 1395167739 /nfs/dbraw/zinc/16/77/39/1395167739.db2.gz KFUXKKGLZKXYRR-SFHVURJKSA-N 1 3 337.552 3.410 10 0 EGAEHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001484116269 1395260305 /nfs/dbraw/zinc/26/03/05/1395260305.db2.gz YQWRULWQTWADAS-NRFANRHFSA-N 1 3 349.563 3.293 10 0 EGAEHO CCC1([NH2+]CC2CCC2)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001484816909 1395551637 /nfs/dbraw/zinc/55/16/37/1395551637.db2.gz SGHWHPFKOBXJDW-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC1([NH2+]CCC2CCCCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001484819301 1395552622 /nfs/dbraw/zinc/55/26/22/1395552622.db2.gz LOHMHTXTTQQEDH-UHFFFAOYSA-N 1 3 349.563 3.413 10 0 EGAEHO C[NH+](C)CCC(=O)NCc1ccc2c(c1)CN(CC1CC(C)(C)C1)C2 ZINC001484875911 1395580036 /nfs/dbraw/zinc/58/00/36/1395580036.db2.gz UUOSDPVRTYHHMO-UHFFFAOYSA-N 1 3 343.515 3.006 10 0 EGAEHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001485784766 1396153340 /nfs/dbraw/zinc/15/33/40/1396153340.db2.gz AGJLCQSBXIYQLS-GOSISDBHSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001495817292 1396564196 /nfs/dbraw/zinc/56/41/96/1396564196.db2.gz YBTNLTWYKALCFH-LSDHHAIUSA-N 1 3 339.911 3.083 10 0 EGAEHO CCN(CC[NH2+]CCC1=CCCCC1)C(=O)CN1CCC(C)CC1 ZINC001497471239 1396759911 /nfs/dbraw/zinc/75/99/11/1396759911.db2.gz JDYBZEXIAAWCQC-UHFFFAOYSA-N 1 3 335.536 3.047 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001498316739 1396964775 /nfs/dbraw/zinc/96/47/75/1396964775.db2.gz NGEXCDITPDMLCH-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001498316739 1396964777 /nfs/dbraw/zinc/96/47/77/1396964777.db2.gz NGEXCDITPDMLCH-OXQOHEQNSA-N 1 3 341.499 3.117 10 0 EGAEHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001689270055 1397001415 /nfs/dbraw/zinc/00/14/15/1397001415.db2.gz GVXLXKUSLRKQAP-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001689271119 1397004751 /nfs/dbraw/zinc/00/47/51/1397004751.db2.gz CONYUSGMBPBAJS-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC(CC)CC)CC(C)(C)C1 ZINC001689365284 1403705148 /nfs/dbraw/zinc/70/51/48/1403705148.db2.gz CFZQOPHRGIMQRO-SFHVURJKSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC(CC)CC)CC(C)(C)C1 ZINC001689365284 1403705149 /nfs/dbraw/zinc/70/51/49/1403705149.db2.gz CFZQOPHRGIMQRO-SFHVURJKSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170848 1404368774 /nfs/dbraw/zinc/36/87/74/1404368774.db2.gz BRBSEGCUXNKQMY-MOPGFXCFSA-N 1 3 349.563 3.170 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394382 1404536813 /nfs/dbraw/zinc/53/68/13/1404536813.db2.gz YRKLAXFXRVQCNO-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394382 1404536816 /nfs/dbraw/zinc/53/68/16/1404536816.db2.gz YRKLAXFXRVQCNO-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499505 1404612448 /nfs/dbraw/zinc/61/24/48/1404612448.db2.gz WGQOVFFGMBPRNY-SJLPKXTDSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001690499505 1404612453 /nfs/dbraw/zinc/61/24/53/1404612453.db2.gz WGQOVFFGMBPRNY-SJLPKXTDSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691142987 1405076276 /nfs/dbraw/zinc/07/62/76/1405076276.db2.gz HVUOJLDAKPGBGF-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691142987 1405076278 /nfs/dbraw/zinc/07/62/78/1405076278.db2.gz HVUOJLDAKPGBGF-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001691277161 1405188260 /nfs/dbraw/zinc/18/82/60/1405188260.db2.gz QRPQJVQRPHJYIB-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001691428081 1405262425 /nfs/dbraw/zinc/26/24/25/1405262425.db2.gz IVGOLPZMYHPPJO-DFQSSKMNSA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001691428081 1405262426 /nfs/dbraw/zinc/26/24/26/1405262426.db2.gz IVGOLPZMYHPPJO-DFQSSKMNSA-N 1 3 349.563 3.122 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001691680788 1405416178 /nfs/dbraw/zinc/41/61/78/1405416178.db2.gz IILPUNQLAOMEKL-RBUKOAKNSA-N 1 3 345.531 3.018 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691691537 1405425752 /nfs/dbraw/zinc/42/57/52/1405425752.db2.gz AZYWCVNAOXNNQM-DUMMIQTOSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001691691687 1405425923 /nfs/dbraw/zinc/42/59/23/1405425923.db2.gz CFHPXQNODQXNHT-GOSISDBHSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001691757457 1405474378 /nfs/dbraw/zinc/47/43/78/1405474378.db2.gz ISHFERCFYUMXCD-GBESFXJTSA-N 1 3 345.531 3.189 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691757964 1405474732 /nfs/dbraw/zinc/47/47/32/1405474732.db2.gz OXPLDHUXHLDKKO-TVFCKZIOSA-N 1 3 337.552 3.170 10 0 EGAEHO CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001691853549 1405570549 /nfs/dbraw/zinc/57/05/49/1405570549.db2.gz YTMLCFSPPPLQMH-RBUKOAKNSA-N 1 3 335.536 3.140 10 0 EGAEHO CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001691853549 1405570550 /nfs/dbraw/zinc/57/05/50/1405570550.db2.gz YTMLCFSPPPLQMH-RBUKOAKNSA-N 1 3 335.536 3.140 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001692128156 1405786990 /nfs/dbraw/zinc/78/69/90/1405786990.db2.gz HDHUFAHMYQFNOD-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732087664 1428349770 /nfs/dbraw/zinc/34/97/70/1428349770.db2.gz BDTYINIRXBAEJQ-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732087664 1428349773 /nfs/dbraw/zinc/34/97/73/1428349773.db2.gz BDTYINIRXBAEJQ-UHFFFAOYSA-N 1 3 337.552 3.079 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732212158 1428460265 /nfs/dbraw/zinc/46/02/65/1428460265.db2.gz PRWUHGRXIFBBJQ-RQUZMNLWSA-N 1 3 341.515 3.040 10 0 EGAEHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCCC1 ZINC001732396095 1428563541 /nfs/dbraw/zinc/56/35/41/1428563541.db2.gz GRZORSWZCRGAOM-IAGOWNOFSA-N 1 3 341.515 3.016 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001699433628 1412753153 /nfs/dbraw/zinc/75/31/53/1412753153.db2.gz WHCZDPKLSHHLMJ-AZUAARDMSA-N 1 3 345.531 3.081 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)cc1C ZINC001699474179 1412862029 /nfs/dbraw/zinc/86/20/29/1412862029.db2.gz KFWFIXGJIFDIKO-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1C ZINC001699474179 1412862033 /nfs/dbraw/zinc/86/20/33/1412862033.db2.gz KFWFIXGJIFDIKO-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699474908 1412866442 /nfs/dbraw/zinc/86/64/42/1412866442.db2.gz YDZRCDCPEWKRRO-CABCVRRESA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699474908 1412866449 /nfs/dbraw/zinc/86/64/49/1412866449.db2.gz YDZRCDCPEWKRRO-CABCVRRESA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699474910 1412867221 /nfs/dbraw/zinc/86/72/21/1412867221.db2.gz YDZRCDCPEWKRRO-HUUCEWRRSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699474910 1412867223 /nfs/dbraw/zinc/86/72/23/1412867223.db2.gz YDZRCDCPEWKRRO-HUUCEWRRSA-N 1 3 339.911 3.178 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001699766028 1413171060 /nfs/dbraw/zinc/17/10/60/1413171060.db2.gz CGAZQNXGAZZWQT-OALUTQOASA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C)c1ccccc1 ZINC001699766263 1413171296 /nfs/dbraw/zinc/17/12/96/1413171296.db2.gz DBFYWTVLVKYTQT-RTBURBONSA-N 1 3 331.504 3.059 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1)N1CCCCC1 ZINC001699798291 1413208347 /nfs/dbraw/zinc/20/83/47/1413208347.db2.gz FYHPPMKFEXWKQR-PMACEKPBSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001699839153 1413267627 /nfs/dbraw/zinc/26/76/27/1413267627.db2.gz SFWOJEQWLXMXOG-HXUWFJFHSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCCCC2)C3)CCC1 ZINC001699928478 1413368695 /nfs/dbraw/zinc/36/86/95/1413368695.db2.gz UECLYXAPEOHDPU-OTWHNJEPSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CCCCC2)C3)CCC1 ZINC001699928478 1413368698 /nfs/dbraw/zinc/36/86/98/1413368698.db2.gz UECLYXAPEOHDPU-OTWHNJEPSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC2CCC2)C3)CCC1 ZINC001699928395 1413369055 /nfs/dbraw/zinc/36/90/55/1413369055.db2.gz QTMLVUFJBCOKLY-FHWLQOOXSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC2CCC2)C3)CCC1 ZINC001699928395 1413369060 /nfs/dbraw/zinc/36/90/60/1413369060.db2.gz QTMLVUFJBCOKLY-FHWLQOOXSA-N 1 3 347.547 3.020 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001699968612 1413408026 /nfs/dbraw/zinc/40/80/26/1413408026.db2.gz HANCQGRZGNKNBO-XLIONFOSSA-N 1 3 343.515 3.012 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001699978783 1413423253 /nfs/dbraw/zinc/42/32/53/1413423253.db2.gz GGAJCUDCYCCJGK-BZSNNMDCSA-N 1 3 339.568 3.275 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094339 1413508402 /nfs/dbraw/zinc/50/84/02/1413508402.db2.gz SMMLEHJIODKHQJ-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)CCC1 ZINC001700179090 1413589543 /nfs/dbraw/zinc/58/95/43/1413589543.db2.gz MYXJGUKKDBMRBG-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCCC3)CC2)CCC1 ZINC001700179090 1413589547 /nfs/dbraw/zinc/58/95/47/1413589547.db2.gz MYXJGUKKDBMRBG-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001700193259 1413626638 /nfs/dbraw/zinc/62/66/38/1413626638.db2.gz UQVULUWMOVRLNP-ROUUACIJSA-N 1 3 349.544 3.045 10 0 EGAEHO CN(CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001700193259 1413626641 /nfs/dbraw/zinc/62/66/41/1413626641.db2.gz UQVULUWMOVRLNP-ROUUACIJSA-N 1 3 349.544 3.045 10 0 EGAEHO CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001700216819 1413660349 /nfs/dbraw/zinc/66/03/49/1413660349.db2.gz IOFFRNWHDTZXLL-DVBCCOPCSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001700221249 1413667785 /nfs/dbraw/zinc/66/77/85/1413667785.db2.gz LCOFQHZFXGUFHP-QULHZPMSSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317266 1413778046 /nfs/dbraw/zinc/77/80/46/1413778046.db2.gz FVUICBGXAOZBKD-DLBZAZTESA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCCCF ZINC001700317266 1413778050 /nfs/dbraw/zinc/77/80/50/1413778050.db2.gz FVUICBGXAOZBKD-DLBZAZTESA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001700333404 1413813779 /nfs/dbraw/zinc/81/37/79/1413813779.db2.gz SXPCWCYBEWGWSB-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361285 1413874501 /nfs/dbraw/zinc/87/45/01/1413874501.db2.gz BDHWENYIWLQLAS-GLCUZYPYSA-N 1 3 349.563 3.243 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700361285 1413874505 /nfs/dbraw/zinc/87/45/05/1413874505.db2.gz BDHWENYIWLQLAS-GLCUZYPYSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001700508022 1414156096 /nfs/dbraw/zinc/15/60/96/1414156096.db2.gz XUERPTMOZKSIID-AZUAARDMSA-N 1 3 345.531 3.306 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001700617877 1414285868 /nfs/dbraw/zinc/28/58/68/1414285868.db2.gz UZWVFWSUZZGHGS-SLFFLAALSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001700617877 1414285873 /nfs/dbraw/zinc/28/58/73/1414285873.db2.gz UZWVFWSUZZGHGS-SLFFLAALSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001700766471 1414441528 /nfs/dbraw/zinc/44/15/28/1414441528.db2.gz GDPCIYKGIAFLBB-LPHOPBHVSA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001700766471 1414441531 /nfs/dbraw/zinc/44/15/31/1414441531.db2.gz GDPCIYKGIAFLBB-LPHOPBHVSA-N 1 3 349.494 3.025 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001701061295 1414718094 /nfs/dbraw/zinc/71/80/94/1414718094.db2.gz HQRWFUUMHWIQHK-RBUKOAKNSA-N 1 3 349.563 3.293 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001701061295 1414718095 /nfs/dbraw/zinc/71/80/95/1414718095.db2.gz HQRWFUUMHWIQHK-RBUKOAKNSA-N 1 3 349.563 3.293 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001732608137 1428865236 /nfs/dbraw/zinc/86/52/36/1428865236.db2.gz PPOGOSDATLFBNB-VQTJNVASSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC=C(C)C)C1 ZINC001732608137 1428865240 /nfs/dbraw/zinc/86/52/40/1428865240.db2.gz PPOGOSDATLFBNB-VQTJNVASSA-N 1 3 349.563 3.388 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001732728792 1428931787 /nfs/dbraw/zinc/93/17/87/1428931787.db2.gz MVNYBZZDWLKCCR-GOSISDBHSA-N 1 3 347.547 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001707057664 1417173254 /nfs/dbraw/zinc/17/32/54/1417173254.db2.gz ARHYHBJPGXWBGT-FGTMMUONSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CCC1CCCC1)[NH+]1CCCC1 ZINC001707062221 1417177761 /nfs/dbraw/zinc/17/77/61/1417177761.db2.gz LTWHBSYVNYPAFF-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707239814 1417259923 /nfs/dbraw/zinc/25/99/23/1417259923.db2.gz DAYVKBLINRMXSD-RBUKOAKNSA-N 1 3 339.568 3.370 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001707410314 1417321490 /nfs/dbraw/zinc/32/14/90/1417321490.db2.gz UISFKWOSJCIHMV-SFHVURJKSA-N 1 3 347.547 3.472 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001707410314 1417321493 /nfs/dbraw/zinc/32/14/93/1417321493.db2.gz UISFKWOSJCIHMV-SFHVURJKSA-N 1 3 347.547 3.472 10 0 EGAEHO C[C@@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001733047831 1429182290 /nfs/dbraw/zinc/18/22/90/1429182290.db2.gz GQEKEZGHEBFAPV-ADKAHSJRSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](C[N@@H+](C)CC1CCC(C)CC1)NC(=O)C(C)(C)N1CCCC1 ZINC001733047831 1429182295 /nfs/dbraw/zinc/18/22/95/1429182295.db2.gz GQEKEZGHEBFAPV-ADKAHSJRSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001712999602 1417552353 /nfs/dbraw/zinc/55/23/53/1417552353.db2.gz NRSZXJQSJFWSJC-LPHOPBHVSA-N 1 3 346.519 3.282 10 0 EGAEHO CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001713253952 1417849525 /nfs/dbraw/zinc/84/95/25/1417849525.db2.gz WNFGTANWUHEUDX-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC001713253952 1417849526 /nfs/dbraw/zinc/84/95/26/1417849526.db2.gz WNFGTANWUHEUDX-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275293 1417893233 /nfs/dbraw/zinc/89/32/33/1417893233.db2.gz GVTVQSFOLCZYDZ-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001713275293 1417893240 /nfs/dbraw/zinc/89/32/40/1417893240.db2.gz GVTVQSFOLCZYDZ-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001713417412 1418041170 /nfs/dbraw/zinc/04/11/70/1418041170.db2.gz QTDPIDIWNWLIAA-DNVCBOLYSA-N 1 3 343.531 3.120 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCCN1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515593 1418250987 /nfs/dbraw/zinc/25/09/87/1418250987.db2.gz XTCKJVUBBONVLT-PMACEKPBSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC001713532955 1418283000 /nfs/dbraw/zinc/28/30/00/1418283000.db2.gz CUCPYYJHVNUCFQ-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC001713532955 1418283006 /nfs/dbraw/zinc/28/30/06/1418283006.db2.gz CUCPYYJHVNUCFQ-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CCN(CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001713565886 1418376175 /nfs/dbraw/zinc/37/61/75/1418376175.db2.gz FIUQKMARROAOQG-IBGZPJMESA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001713792259 1418609778 /nfs/dbraw/zinc/60/97/78/1418609778.db2.gz VVTOCOXBOGYQML-OJBOGMDESA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001713792259 1418609779 /nfs/dbraw/zinc/60/97/79/1418609779.db2.gz VVTOCOXBOGYQML-OJBOGMDESA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794419 1418613784 /nfs/dbraw/zinc/61/37/84/1418613784.db2.gz SLJMFKKYDFLPCV-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794419 1418613788 /nfs/dbraw/zinc/61/37/88/1418613788.db2.gz SLJMFKKYDFLPCV-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978116 1418759338 /nfs/dbraw/zinc/75/93/38/1418759338.db2.gz MBYVPZSXYQLXHN-OALUTQOASA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978116 1418759340 /nfs/dbraw/zinc/75/93/40/1418759340.db2.gz MBYVPZSXYQLXHN-OALUTQOASA-N 1 3 349.563 3.076 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001714106310 1418905347 /nfs/dbraw/zinc/90/53/47/1418905347.db2.gz JFKAHZHARNPXGG-DLBZAZTESA-N 1 3 325.541 3.170 10 0 EGAEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001714323555 1419102012 /nfs/dbraw/zinc/10/20/12/1419102012.db2.gz LVCJXVYQBWYVFJ-HZHKHHBISA-N 1 3 349.906 3.018 10 0 EGAEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(CNC/C=C/Cl)cc1 ZINC001714323555 1419102015 /nfs/dbraw/zinc/10/20/15/1419102015.db2.gz LVCJXVYQBWYVFJ-HZHKHHBISA-N 1 3 349.906 3.018 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418377 1419155479 /nfs/dbraw/zinc/15/54/79/1419155479.db2.gz YYTYDOVHZIBEPY-MOPGFXCFSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001714572084 1419305477 /nfs/dbraw/zinc/30/54/77/1419305477.db2.gz JHLMNGHGKJJTGZ-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001714572084 1419305479 /nfs/dbraw/zinc/30/54/79/1419305479.db2.gz JHLMNGHGKJJTGZ-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624490 1419393401 /nfs/dbraw/zinc/39/34/01/1419393401.db2.gz WTZAAJSEHQGAOB-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1)N1CCCCCC1 ZINC001714624490 1419393403 /nfs/dbraw/zinc/39/34/03/1419393403.db2.gz WTZAAJSEHQGAOB-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)CCN[C@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795870 1419512440 /nfs/dbraw/zinc/51/24/40/1419512440.db2.gz BVMAGVRMQOINRY-VQIMIIECSA-N 1 3 349.494 3.055 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001714813036 1419524007 /nfs/dbraw/zinc/52/40/07/1419524007.db2.gz FPYRTYDWUGMKEV-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCN1CCC1CCCCCC1)[NH+]1CCCC1 ZINC001733219786 1429339612 /nfs/dbraw/zinc/33/96/12/1429339612.db2.gz RQQNDEILROUAAK-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001714841071 1419553373 /nfs/dbraw/zinc/55/33/73/1419553373.db2.gz ZAKPJVUPZLHNOZ-LJQANCHMSA-N 1 3 345.531 3.354 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883902 1419622282 /nfs/dbraw/zinc/62/22/82/1419622282.db2.gz XTKBKBFAMMNBQV-IRXDYDNUSA-N 1 3 325.541 3.124 10 0 EGAEHO CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001715042705 1419782362 /nfs/dbraw/zinc/78/23/62/1419782362.db2.gz FRCMTTDVOCQCNR-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071074 1419806131 /nfs/dbraw/zinc/80/61/31/1419806131.db2.gz BOZIBQVJJIVNAW-APWZRJJASA-N 1 3 349.494 3.075 10 0 EGAEHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1)c1ccccc1 ZINC001715192178 1419924114 /nfs/dbraw/zinc/92/41/14/1419924114.db2.gz XFJFCQPJSPAWDL-UFYCRDLUSA-N 1 3 345.531 3.495 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001715204198 1419937935 /nfs/dbraw/zinc/93/79/35/1419937935.db2.gz NODCVKYRCPPSAK-UHFFFAOYSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCN1C(C)C ZINC001715382563 1420079515 /nfs/dbraw/zinc/07/95/15/1420079515.db2.gz LOMULHFMKHWNNZ-UXHICEINSA-N 1 3 349.563 3.480 10 0 EGAEHO CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001715447968 1420131754 /nfs/dbraw/zinc/13/17/54/1420131754.db2.gz TZXWMFFENRGUAI-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1 ZINC001716024458 1420480733 /nfs/dbraw/zinc/48/07/33/1420480733.db2.gz NAYQRSONOOWSTA-ACBHZAAOSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC(C)CC1 ZINC001716024458 1420480734 /nfs/dbraw/zinc/48/07/34/1420480734.db2.gz NAYQRSONOOWSTA-ACBHZAAOSA-N 1 3 337.552 3.077 10 0 EGAEHO CCN(CC[NH2+]CCC1CCCCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001716239826 1420577519 /nfs/dbraw/zinc/57/75/19/1420577519.db2.gz QYEXJHOKKAHSEH-SFHVURJKSA-N 1 3 337.552 3.127 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001716579781 1420766906 /nfs/dbraw/zinc/76/69/06/1420766906.db2.gz ZKBCGINNFWNHGV-HXUWFJFHSA-N 1 3 341.499 3.118 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001716734014 1420892426 /nfs/dbraw/zinc/89/24/26/1420892426.db2.gz NXJDZJDURNFZAA-NRFANRHFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001716734014 1420892427 /nfs/dbraw/zinc/89/24/27/1420892427.db2.gz NXJDZJDURNFZAA-NRFANRHFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001716830788 1420958152 /nfs/dbraw/zinc/95/81/52/1420958152.db2.gz XHFHPQXMMJSJHR-HXUWFJFHSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001716830788 1420958155 /nfs/dbraw/zinc/95/81/55/1420958155.db2.gz XHFHPQXMMJSJHR-HXUWFJFHSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004695 1421073417 /nfs/dbraw/zinc/07/34/17/1421073417.db2.gz XBIZYOACKCNDGZ-ZULIPRJHSA-N 1 3 349.563 3.172 10 0 EGAEHO CN(C)C1(C(=O)NC2CC(C[NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001717384619 1421325934 /nfs/dbraw/zinc/32/59/34/1421325934.db2.gz JOOPSYFUINGHSF-UHFFFAOYSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC001717474838 1421408656 /nfs/dbraw/zinc/40/86/56/1421408656.db2.gz UWVLMALGQUTFRQ-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001717474838 1421408657 /nfs/dbraw/zinc/40/86/57/1421408657.db2.gz UWVLMALGQUTFRQ-ICSRJNTNSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001717950473 1421719370 /nfs/dbraw/zinc/71/93/70/1421719370.db2.gz UTWAZBDHLOPNIU-RTBURBONSA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001717950473 1421719372 /nfs/dbraw/zinc/71/93/72/1421719372.db2.gz UTWAZBDHLOPNIU-RTBURBONSA-N 1 3 335.536 3.138 10 0 EGAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCC2=CCCCC2)C(C)(C)C)CCC1 ZINC001717960056 1421731716 /nfs/dbraw/zinc/73/17/16/1421731716.db2.gz KUXKPFZXXWIQCY-GOSISDBHSA-N 1 3 349.563 3.482 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001723864542 1424592367 /nfs/dbraw/zinc/59/23/67/1424592367.db2.gz WOKFUHFFOWDEJV-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001724025800 1424633481 /nfs/dbraw/zinc/63/34/81/1424633481.db2.gz JLDWOZIDDCABOW-IRXDYDNUSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](C[C@@H](C)CC)CC1 ZINC001724294707 1424779647 /nfs/dbraw/zinc/77/96/47/1424779647.db2.gz WBUHYQAZUYHIHV-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@@H](C)CC)CC1 ZINC001724294706 1424779740 /nfs/dbraw/zinc/77/97/40/1424779740.db2.gz WBUHYQAZUYHIHV-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001724340769 1424834647 /nfs/dbraw/zinc/83/46/47/1424834647.db2.gz NUSNLMRUOIPZKO-ICSRJNTNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001724340769 1424834655 /nfs/dbraw/zinc/83/46/55/1424834655.db2.gz NUSNLMRUOIPZKO-ICSRJNTNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001733571090 1429774195 /nfs/dbraw/zinc/77/41/95/1429774195.db2.gz DAGZSXCWACGHDI-RTBURBONSA-N 1 3 345.531 3.134 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1 ZINC001724891145 1425278218 /nfs/dbraw/zinc/27/82/18/1425278218.db2.gz MATRKQOYZFWRCD-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C/Cl)C(C)C ZINC001725212990 1425775226 /nfs/dbraw/zinc/77/52/26/1425775226.db2.gz KNTHDWOLXDKPRL-VESHTZQJSA-N 1 3 343.943 3.076 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001725420505 1426068633 /nfs/dbraw/zinc/06/86/33/1426068633.db2.gz VVDFTDHDFWOLOJ-VQIMIIECSA-N 1 3 345.531 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625391 1426292192 /nfs/dbraw/zinc/29/21/92/1426292192.db2.gz COEUINOJJGTWJU-OALUTQOASA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001731505256 1427489750 /nfs/dbraw/zinc/48/97/50/1427489750.db2.gz TUAWOQCGWZSIJS-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001731505256 1427489751 /nfs/dbraw/zinc/48/97/51/1427489751.db2.gz TUAWOQCGWZSIJS-YSKLNCTFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001731530888 1427521775 /nfs/dbraw/zinc/52/17/75/1427521775.db2.gz NBBDSIHKOUVLDA-IBGZPJMESA-N 1 3 345.531 3.236 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594530 1427636385 /nfs/dbraw/zinc/63/63/85/1427636385.db2.gz IDLNXRMEVNJPCH-PXNSSMCTSA-N 1 3 345.531 3.279 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC001731641271 1427700502 /nfs/dbraw/zinc/70/05/02/1427700502.db2.gz UEFGOEIYOPKGNZ-IAGOWNOFSA-N 1 3 341.499 3.335 10 0 EGAEHO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733921011 1437735384 /nfs/dbraw/zinc/73/53/84/1437735384.db2.gz SVWZHIAVMAFUHZ-UHFFFAOYSA-N 1 3 345.531 3.087 10 0 EGAEHO CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001733921011 1437735388 /nfs/dbraw/zinc/73/53/88/1437735388.db2.gz SVWZHIAVMAFUHZ-UHFFFAOYSA-N 1 3 345.531 3.087 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009086 1437800627 /nfs/dbraw/zinc/80/06/27/1437800627.db2.gz QMQRVPFAPCZAEN-HOTGVXAUSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)C[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001734094690 1437878904 /nfs/dbraw/zinc/87/89/04/1437878904.db2.gz FIQIVFVQQGLYQB-GOSISDBHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734106807 1437893509 /nfs/dbraw/zinc/89/35/09/1437893509.db2.gz TVDMTWRVRLVEOY-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734106807 1437893511 /nfs/dbraw/zinc/89/35/11/1437893511.db2.gz TVDMTWRVRLVEOY-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CCN1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001734456717 1438114771 /nfs/dbraw/zinc/11/47/71/1438114771.db2.gz IAWQVQWIQLMXKN-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CC1CC(C[NH2+]C[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C)C1 ZINC001734570288 1438164788 /nfs/dbraw/zinc/16/47/88/1438164788.db2.gz YPDDMQFCZSZGLF-OFLPRAFFSA-N 1 3 337.552 3.027 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1c(F)cccc1F ZINC000353511355 282248940 /nfs/dbraw/zinc/24/89/40/282248940.db2.gz AZGUDTQFQZXPMC-OKDNKWQNSA-N 1 3 337.458 3.030 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000266000029 248014245 /nfs/dbraw/zinc/01/42/45/248014245.db2.gz OYEQXHXHHGWHHU-XLIONFOSSA-N 1 3 343.515 3.227 10 0 EGAEHO C[C@@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377714111 169066912 /nfs/dbraw/zinc/06/69/12/169066912.db2.gz FAGZDKFYSZZYCB-WTBLGDFPSA-N 1 3 341.543 3.423 10 0 EGAEHO C[C@@H](CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000377714111 169066913 /nfs/dbraw/zinc/06/69/13/169066913.db2.gz FAGZDKFYSZZYCB-WTBLGDFPSA-N 1 3 341.543 3.423 10 0 EGAEHO CC[NH+]1CCC(CCN[C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000091729230 218054400 /nfs/dbraw/zinc/05/44/00/218054400.db2.gz WBVDNGCSGXOHBO-OAHLLOKOSA-N 1 3 329.492 3.119 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000154294665 224233512 /nfs/dbraw/zinc/23/35/12/224233512.db2.gz WZWYXGRDJBJCJA-XOKHGSTOSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000154294665 224233515 /nfs/dbraw/zinc/23/35/15/224233515.db2.gz WZWYXGRDJBJCJA-XOKHGSTOSA-N 1 3 344.421 3.023 10 0 EGAEHO Cn1cncc1[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000328622028 258035275 /nfs/dbraw/zinc/03/52/75/258035275.db2.gz AWZJZJKLRFYXFH-FXAWDEMLSA-N 1 3 346.519 3.027 10 0 EGAEHO Cn1cncc1[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622028 258035276 /nfs/dbraw/zinc/03/52/76/258035276.db2.gz AWZJZJKLRFYXFH-FXAWDEMLSA-N 1 3 346.519 3.027 10 0 EGAEHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353438716 141295251 /nfs/dbraw/zinc/29/52/51/141295251.db2.gz VEQSYVGVGSCSJY-CEWLAPEOSA-N 1 3 338.499 3.452 10 0 EGAEHO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000118759327 152153000 /nfs/dbraw/zinc/15/30/00/152153000.db2.gz TWWJVFVDJQMYFL-GOSISDBHSA-N 1 3 343.515 3.163 10 0 EGAEHO CC[C@@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119628445 152218578 /nfs/dbraw/zinc/21/85/78/152218578.db2.gz WEPUDEGAUGALSR-JKWVGCSGSA-N 1 3 327.516 3.381 10 0 EGAEHO CC[C@@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119628445 152218581 /nfs/dbraw/zinc/21/85/81/152218581.db2.gz WEPUDEGAUGALSR-JKWVGCSGSA-N 1 3 327.516 3.381 10 0 EGAEHO C[N@H+]1C[C@H]2CN(CCCCOc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC000193633055 153298390 /nfs/dbraw/zinc/29/83/90/153298390.db2.gz OJPUMVKCHFAULE-GASCZTMLSA-N 1 3 342.405 3.358 10 0 EGAEHO C[N@@H+]1C[C@H]2CN(CCCCOc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC000193633055 153298394 /nfs/dbraw/zinc/29/83/94/153298394.db2.gz OJPUMVKCHFAULE-GASCZTMLSA-N 1 3 342.405 3.358 10 0 EGAEHO C[C@@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000194485079 153340330 /nfs/dbraw/zinc/34/03/30/153340330.db2.gz LEDZNSODCXQEKD-IBGZPJMESA-N 1 3 329.532 3.330 10 0 EGAEHO CCC1(CNCc2cncn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000362179910 157059954 /nfs/dbraw/zinc/05/99/54/157059954.db2.gz LRADZOKHTVYIKN-UHFFFAOYSA-N 1 3 326.488 3.202 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000360692236 167389906 /nfs/dbraw/zinc/38/99/06/167389906.db2.gz ZAICKUSRDRPZHT-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367617035 168250323 /nfs/dbraw/zinc/25/03/23/168250323.db2.gz PIYANVSVUCXGPA-VAMGGRTRSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367617035 168250326 /nfs/dbraw/zinc/25/03/26/168250326.db2.gz PIYANVSVUCXGPA-VAMGGRTRSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367617035 168250327 /nfs/dbraw/zinc/25/03/27/168250327.db2.gz PIYANVSVUCXGPA-VAMGGRTRSA-N 1 3 343.515 3.131 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110821620 275181665 /nfs/dbraw/zinc/18/16/65/275181665.db2.gz LUTOGPIJIPZFEF-SUMWQHHRSA-N 1 3 337.305 3.238 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000365667954 275920857 /nfs/dbraw/zinc/92/08/57/275920857.db2.gz OXWFPFYOADISMX-AZUAARDMSA-N 1 3 333.564 3.469 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCS2)CC1 ZINC000152603546 307756125 /nfs/dbraw/zinc/75/61/25/307756125.db2.gz IQLVVQJNIXRCTG-SFHVURJKSA-N 1 3 333.545 3.204 10 0 EGAEHO CCC(C)(C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000253296725 308033363 /nfs/dbraw/zinc/03/33/63/308033363.db2.gz TXRADWPSFICODE-YRWFTTLQSA-N 1 3 345.531 3.037 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CNCc2cn(C)nc2-c2cccs2)cc1 ZINC000414813613 309103118 /nfs/dbraw/zinc/10/31/18/309103118.db2.gz UEOWEXTUIASAJC-ZDUSSCGKSA-N 1 3 326.469 3.458 10 0 EGAEHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007156 309113993 /nfs/dbraw/zinc/11/39/93/309113993.db2.gz QXUAEYXNJKXIRV-SMMRIJLZSA-N 1 3 334.479 3.314 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415057075 309117063 /nfs/dbraw/zinc/11/70/63/309117063.db2.gz TVJBWXVGAXHEQX-KVSKMBFKSA-N 1 3 334.479 3.477 10 0 EGAEHO c1cnn(-c2ccccc2CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415083849 309119204 /nfs/dbraw/zinc/11/92/04/309119204.db2.gz FWSSDMFMQVHMLG-UXHICEINSA-N 1 3 332.451 3.455 10 0 EGAEHO c1cnn(-c2ccccc2CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415083850 309119232 /nfs/dbraw/zinc/11/92/32/309119232.db2.gz FWSSDMFMQVHMLG-VQTJNVASSA-N 1 3 332.451 3.455 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415118045 309121627 /nfs/dbraw/zinc/12/16/27/309121627.db2.gz DNJOYILEMIWPET-ICSRJNTNSA-N 1 3 332.488 3.030 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000415567288 309137119 /nfs/dbraw/zinc/13/71/19/309137119.db2.gz JPABNEGOJRTHOA-OAHLLOKOSA-N 1 3 340.471 3.132 10 0 EGAEHO COc1ccc([C@H](NC[C@H](CC(C)C)N(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422819978 309370208 /nfs/dbraw/zinc/37/02/08/309370208.db2.gz OQXJFPXRRWYDGX-IHPCNDPISA-N 1 3 333.520 3.054 10 0 EGAEHO Cc1nc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887565 309374193 /nfs/dbraw/zinc/37/41/93/309374193.db2.gz BGJWQZWXRZZGBN-VQIMIIECSA-N 1 3 343.496 3.148 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cnccc2N)cc1 ZINC000422889791 309374541 /nfs/dbraw/zinc/37/45/41/309374541.db2.gz GVQKWUWVEHZGKC-INIZCTEOSA-N 1 3 342.487 3.066 10 0 EGAEHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423051792 309383228 /nfs/dbraw/zinc/38/32/28/309383228.db2.gz PBZWXOFHLTVGOX-GBESFXJTSA-N 1 3 328.456 3.030 10 0 EGAEHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093080 309385650 /nfs/dbraw/zinc/38/56/50/309385650.db2.gz FSJFIFOXWFAESN-FKGLVLAHSA-N 1 3 327.241 3.304 10 0 EGAEHO c1csc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)n1 ZINC000423093695 309385652 /nfs/dbraw/zinc/38/56/52/309385652.db2.gz ABGPZQMYERGUMT-IXDOHACOSA-N 1 3 334.533 3.012 10 0 EGAEHO Cc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc(N2CCCC2)n1 ZINC000423120524 309386793 /nfs/dbraw/zinc/38/67/93/309386793.db2.gz HARSTDHIIZVRPB-HNNXBMFYSA-N 1 3 339.487 3.003 10 0 EGAEHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCOCCN(C)C)cc1 ZINC000447604055 309984259 /nfs/dbraw/zinc/98/42/59/309984259.db2.gz YJYYCBWWQZBXCM-VQTJNVASSA-N 1 3 334.504 3.278 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000449493589 310066724 /nfs/dbraw/zinc/06/67/24/310066724.db2.gz FDYDOMOVMGUPEF-GHTZIAJQSA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000449493589 310066725 /nfs/dbraw/zinc/06/67/25/310066725.db2.gz FDYDOMOVMGUPEF-GHTZIAJQSA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC000449685860 310080844 /nfs/dbraw/zinc/08/08/44/310080844.db2.gz UNJIDZUBBNGOSK-IBGZPJMESA-N 1 3 345.531 3.125 10 0 EGAEHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449734803 310083182 /nfs/dbraw/zinc/08/31/82/310083182.db2.gz DTRXHLMVQDLFRY-QGLKVJOYSA-N 1 3 328.500 3.038 10 0 EGAEHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000450458831 310123895 /nfs/dbraw/zinc/12/38/95/310123895.db2.gz YUSOOTZUUMFQSX-IBGZPJMESA-N 1 3 332.488 3.161 10 0 EGAEHO c1ccc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]2CCOC2)cc1 ZINC000459460115 310554139 /nfs/dbraw/zinc/55/41/39/310554139.db2.gz IQQNOHNDTLKLEU-WIYYLYMNSA-N 1 3 337.467 3.418 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(CC)CC ZINC000469056781 310698692 /nfs/dbraw/zinc/69/86/92/310698692.db2.gz UUXAUBXRCXIAME-MOPGFXCFSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000510934497 312150963 /nfs/dbraw/zinc/15/09/63/312150963.db2.gz QVAASKIWNJOUSN-QFBILLFUSA-N 1 3 334.504 3.219 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NC34CCC(CC3)CC4)CC2)CC1 ZINC000514739835 312243007 /nfs/dbraw/zinc/24/30/07/312243007.db2.gz YGQOQRWAELCLTF-UHFFFAOYSA-N 1 3 347.547 3.022 10 0 EGAEHO NC[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165455 312268776 /nfs/dbraw/zinc/26/87/76/312268776.db2.gz HVSSCDAFPWUKRX-AABGKKOBSA-N 1 3 339.483 3.254 10 0 EGAEHO CC(C)CCc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527376791 312862065 /nfs/dbraw/zinc/86/20/65/312862065.db2.gz LYFQSTNQPZNFLC-UHFFFAOYSA-N 1 3 348.535 3.232 10 0 EGAEHO C[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCCC1 ZINC000571266394 317174698 /nfs/dbraw/zinc/17/46/98/317174698.db2.gz PVCXKSKFVWNJJH-OKCRPCIYSA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCCCC1 ZINC000571266394 317174701 /nfs/dbraw/zinc/17/47/01/317174701.db2.gz PVCXKSKFVWNJJH-OKCRPCIYSA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCOCC2CCC2)CC1 ZINC000571492639 317205257 /nfs/dbraw/zinc/20/52/57/317205257.db2.gz NBKOXTDUUPOYJA-GOSISDBHSA-N 1 3 330.516 3.488 10 0 EGAEHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000173364287 323294692 /nfs/dbraw/zinc/29/46/92/323294692.db2.gz FNGAJWYJNLVHEV-TZMCWYRMSA-N 1 3 328.403 3.117 10 0 EGAEHO C[N@H+]1CC=C(CNCc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623485164 460575005 /nfs/dbraw/zinc/57/50/05/460575005.db2.gz QJWNJRDGFSDHFB-UHFFFAOYSA-N 1 3 332.341 3.118 10 0 EGAEHO C[N@@H+]1CC=C(CNCc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623485164 460575013 /nfs/dbraw/zinc/57/50/13/460575013.db2.gz QJWNJRDGFSDHFB-UHFFFAOYSA-N 1 3 332.341 3.118 10 0 EGAEHO O[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245776156 455377677 /nfs/dbraw/zinc/37/76/77/455377677.db2.gz YDCAOSUNBYUWKH-PTLNGURQSA-N 1 3 348.490 3.430 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000154495590 454901977 /nfs/dbraw/zinc/90/19/77/454901977.db2.gz DGXZQYVEHMHHPH-HXUWFJFHSA-N 1 3 345.531 3.216 10 0 EGAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181310261 455316071 /nfs/dbraw/zinc/31/60/71/455316071.db2.gz QTLAUGANNLLRBE-ROUUACIJSA-N 1 3 339.487 3.135 10 0 EGAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181310261 455316074 /nfs/dbraw/zinc/31/60/74/455316074.db2.gz QTLAUGANNLLRBE-ROUUACIJSA-N 1 3 339.487 3.135 10 0 EGAEHO Cc1cccc2c1ncc(C)c2NCCN1CCC([NH+](C)C)CC1 ZINC000185340260 455543911 /nfs/dbraw/zinc/54/39/11/455543911.db2.gz QNVAMOFQNILXFU-UHFFFAOYSA-N 1 3 326.488 3.290 10 0 EGAEHO Cc1ccccc1CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182598147 455550301 /nfs/dbraw/zinc/55/03/01/455550301.db2.gz MVRSJRDFZYSJOO-CBQGHPETSA-N 1 3 341.543 3.170 10 0 EGAEHO Cc1ccccc1CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182598147 455550303 /nfs/dbraw/zinc/55/03/03/455550303.db2.gz MVRSJRDFZYSJOO-CBQGHPETSA-N 1 3 341.543 3.170 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000268171120 455608684 /nfs/dbraw/zinc/60/86/84/455608684.db2.gz PSGXRUCNILCUNQ-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000268171120 455608688 /nfs/dbraw/zinc/60/86/88/455608688.db2.gz PSGXRUCNILCUNQ-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000292253048 455609238 /nfs/dbraw/zinc/60/92/38/455609238.db2.gz XVGOPKHTNJDWML-NRFANRHFSA-N 1 3 337.467 3.188 10 0 EGAEHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C2)C1 ZINC000292253048 455609239 /nfs/dbraw/zinc/60/92/39/455609239.db2.gz XVGOPKHTNJDWML-NRFANRHFSA-N 1 3 337.467 3.188 10 0 EGAEHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(OC)c1 ZINC000192624468 455656042 /nfs/dbraw/zinc/65/60/42/455656042.db2.gz DUSWDBKMTMMLBA-SMLSOGCJSA-N 1 3 345.531 3.293 10 0 EGAEHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(OC)c1 ZINC000192624468 455656049 /nfs/dbraw/zinc/65/60/49/455656049.db2.gz DUSWDBKMTMMLBA-SMLSOGCJSA-N 1 3 345.531 3.293 10 0 EGAEHO C[C@@H](Cc1ccccc1F)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000188083405 455993444 /nfs/dbraw/zinc/99/34/44/455993444.db2.gz SUYRMEDFORGMGT-SFHVURJKSA-N 1 3 347.522 3.297 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000188129745 456004592 /nfs/dbraw/zinc/00/45/92/456004592.db2.gz QBBJLDWBEZKANO-DZGCQCFKSA-N 1 3 325.294 3.312 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000262629447 456049068 /nfs/dbraw/zinc/04/90/68/456049068.db2.gz DJOOPKSEUJHNQS-NQYYFHDYSA-N 1 3 343.515 3.153 10 0 EGAEHO COc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c(C)c1OC ZINC000347660633 456287762 /nfs/dbraw/zinc/28/77/62/456287762.db2.gz XRHUCGDBRFUTOV-UHFFFAOYSA-N 1 3 332.488 3.320 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337532827 456361539 /nfs/dbraw/zinc/36/15/39/456361539.db2.gz WIJKSCJMQHGEAI-SFHVURJKSA-N 1 3 347.551 3.067 10 0 EGAEHO CC(C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282453438 456519512 /nfs/dbraw/zinc/51/95/12/456519512.db2.gz VEJKESMOCWCKSA-SFHVURJKSA-N 1 3 339.474 3.278 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000353311378 456629126 /nfs/dbraw/zinc/62/91/26/456629126.db2.gz UVQCVJZMIOWXRO-HXUWFJFHSA-N 1 3 329.532 3.313 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000353311378 456629131 /nfs/dbraw/zinc/62/91/31/456629131.db2.gz UVQCVJZMIOWXRO-HXUWFJFHSA-N 1 3 329.532 3.313 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353408592 456682226 /nfs/dbraw/zinc/68/22/26/456682226.db2.gz ZORRHSRZAMTFNU-ZVDOUQERSA-N 1 3 338.499 3.452 10 0 EGAEHO Cc1cc(C)n(-c2ccccc2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353408592 456682234 /nfs/dbraw/zinc/68/22/34/456682234.db2.gz ZORRHSRZAMTFNU-ZVDOUQERSA-N 1 3 338.499 3.452 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353432397 456696106 /nfs/dbraw/zinc/69/61/06/456696106.db2.gz BRFDELLZBVGYFZ-WNRNVDISSA-N 1 3 333.545 3.347 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353432397 456696108 /nfs/dbraw/zinc/69/61/08/456696108.db2.gz BRFDELLZBVGYFZ-WNRNVDISSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353432397 456696110 /nfs/dbraw/zinc/69/61/10/456696110.db2.gz BRFDELLZBVGYFZ-WNRNVDISSA-N 1 3 333.545 3.347 10 0 EGAEHO FC(F)(F)COCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354155347 457097795 /nfs/dbraw/zinc/09/77/95/457097795.db2.gz LHSQNWGBXBRGSB-ALOPSCKCSA-N 1 3 342.405 3.351 10 0 EGAEHO FC(F)(F)COCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354155347 457097800 /nfs/dbraw/zinc/09/78/00/457097800.db2.gz LHSQNWGBXBRGSB-ALOPSCKCSA-N 1 3 342.405 3.351 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C ZINC000354425575 457214771 /nfs/dbraw/zinc/21/47/71/457214771.db2.gz JTCYXLKBCGXYQR-XLIONFOSSA-N 1 3 343.515 3.227 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C ZINC000354425575 457214773 /nfs/dbraw/zinc/21/47/73/457214773.db2.gz JTCYXLKBCGXYQR-XLIONFOSSA-N 1 3 343.515 3.227 10 0 EGAEHO C[C@@H]1CC[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000361340329 457698832 /nfs/dbraw/zinc/69/88/32/457698832.db2.gz COLHUJRVMZPTCW-OXQOHEQNSA-N 1 3 343.515 3.157 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358178638 457839602 /nfs/dbraw/zinc/83/96/02/457839602.db2.gz DKMUYKJBOOLOOS-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358178638 457839608 /nfs/dbraw/zinc/83/96/08/457839608.db2.gz DKMUYKJBOOLOOS-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nnc3ccccn32)CC1 ZINC000367375017 457950657 /nfs/dbraw/zinc/95/06/57/457950657.db2.gz OPVKVCVGSQTDNO-UHFFFAOYSA-N 1 3 349.482 3.262 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nnc3ccccn32)CC1 ZINC000367375017 457950663 /nfs/dbraw/zinc/95/06/63/457950663.db2.gz OPVKVCVGSQTDNO-UHFFFAOYSA-N 1 3 349.482 3.262 10 0 EGAEHO COC1CCC(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000361919772 457954749 /nfs/dbraw/zinc/95/47/49/457954749.db2.gz UGOYQIWLPLEHHH-MUYFXNHWSA-N 1 3 334.504 3.483 10 0 EGAEHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1OCCN(C)C ZINC000412420260 458199406 /nfs/dbraw/zinc/19/94/06/458199406.db2.gz RKOWZYQUOSTSMC-GOSISDBHSA-N 1 3 347.503 3.138 10 0 EGAEHO Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1OCCN(C)C ZINC000412420260 458199411 /nfs/dbraw/zinc/19/94/11/458199411.db2.gz RKOWZYQUOSTSMC-GOSISDBHSA-N 1 3 347.503 3.138 10 0 EGAEHO OC[C@@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000447578157 458314551 /nfs/dbraw/zinc/31/45/51/458314551.db2.gz DAHBRACJOIFKNF-WCXIOVBPSA-N 1 3 342.405 3.085 10 0 EGAEHO COc1ccc2c(c1)C[C@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)CC2 ZINC000423523734 458451585 /nfs/dbraw/zinc/45/15/85/458451585.db2.gz IMCDFFRLUZXIQH-YVJMUSJUSA-N 1 3 340.511 3.296 10 0 EGAEHO COc1ccc2c(c1)C[C@H](NCC1([NH3+])C3CC4CC(C3)CC1C4)CC2 ZINC000423523734 458451586 /nfs/dbraw/zinc/45/15/86/458451586.db2.gz IMCDFFRLUZXIQH-YVJMUSJUSA-N 1 3 340.511 3.296 10 0 EGAEHO C[N@@H+]1CCC[C@H](CCNCc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000459778646 458476767 /nfs/dbraw/zinc/47/67/67/458476767.db2.gz LEXOAXKBJZSISS-QGZVFWFLSA-N 1 3 332.488 3.463 10 0 EGAEHO C[N@H+]1CCC[C@H](CCNCc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000459778646 458476768 /nfs/dbraw/zinc/47/67/68/458476768.db2.gz LEXOAXKBJZSISS-QGZVFWFLSA-N 1 3 332.488 3.463 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(CC)CC ZINC000469056962 458552238 /nfs/dbraw/zinc/55/22/38/458552238.db2.gz UUXAUBXRCXIAME-RBUKOAKNSA-N 1 3 337.552 3.221 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000373698678 458575831 /nfs/dbraw/zinc/57/58/31/458575831.db2.gz FNRCTMMQBYDBAY-HSALFYBXSA-N 1 3 346.515 3.312 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000373698679 458575899 /nfs/dbraw/zinc/57/58/99/458575899.db2.gz FNRCTMMQBYDBAY-SLFFLAALSA-N 1 3 346.515 3.312 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441417362 458939080 /nfs/dbraw/zinc/93/90/80/458939080.db2.gz ZYHMCLIGYMVSQU-GHTZIAJQSA-N 1 3 344.499 3.031 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441417362 458939083 /nfs/dbraw/zinc/93/90/83/458939083.db2.gz ZYHMCLIGYMVSQU-GHTZIAJQSA-N 1 3 344.499 3.031 10 0 EGAEHO C[C@H]1CN(C)C[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000532514666 459105282 /nfs/dbraw/zinc/10/52/82/459105282.db2.gz MTLAZMIZKIKUSG-HNAYVOBHSA-N 1 3 335.923 3.092 10 0 EGAEHO CC(C)C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000480535694 459203994 /nfs/dbraw/zinc/20/39/94/459203994.db2.gz LMJPJFPUWXRXGD-TYPHKJRUSA-N 1 3 331.548 3.463 10 0 EGAEHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000595013553 459215553 /nfs/dbraw/zinc/21/55/53/459215553.db2.gz JRDWZDMXLTVRNR-INIZCTEOSA-N 1 3 347.503 3.256 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568520474 459302417 /nfs/dbraw/zinc/30/24/17/459302417.db2.gz BLOYJSMGYUMSBM-MRXNPFEDSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568520474 459302419 /nfs/dbraw/zinc/30/24/19/459302419.db2.gz BLOYJSMGYUMSBM-MRXNPFEDSA-N 1 3 349.563 3.266 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)C1CCCC1 ZINC000482557423 459313500 /nfs/dbraw/zinc/31/35/00/459313500.db2.gz KUFYUQYGMSVEAY-WIYYLYMNSA-N 1 3 329.532 3.361 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2ccccc2n1 ZINC000560527069 459365886 /nfs/dbraw/zinc/36/58/86/459365886.db2.gz LEVBYQSAYHAVNE-NLWGTHIKSA-N 1 3 338.499 3.263 10 0 EGAEHO CN(C)c1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2ccccc2n1 ZINC000560527069 459365892 /nfs/dbraw/zinc/36/58/92/459365892.db2.gz LEVBYQSAYHAVNE-NLWGTHIKSA-N 1 3 338.499 3.263 10 0 EGAEHO Cc1cc(C)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC000497491955 459538732 /nfs/dbraw/zinc/53/87/32/459538732.db2.gz RKKNZUSDZBGQIW-WCRBZPEASA-N 1 3 341.543 3.355 10 0 EGAEHO Cc1cc(C)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC000497491955 459538740 /nfs/dbraw/zinc/53/87/40/459538740.db2.gz RKKNZUSDZBGQIW-WCRBZPEASA-N 1 3 341.543 3.355 10 0 EGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527720932 459713619 /nfs/dbraw/zinc/71/36/19/459713619.db2.gz KQMJKNCXEMVEHO-UXPWSPDFSA-N 1 3 328.500 3.038 10 0 EGAEHO CCC[NH+]1CCC(CNCc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597055394 459827024 /nfs/dbraw/zinc/82/70/24/459827024.db2.gz KEBDZRFABKNEKF-UHFFFAOYSA-N 1 3 338.879 3.338 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000597199458 459874515 /nfs/dbraw/zinc/87/45/15/459874515.db2.gz CZFGIIGURUCYBD-OTWHNJEPSA-N 1 3 342.483 3.110 10 0 EGAEHO COC(=O)c1ccc2c(c1)[C@H](CN[C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000597199458 459874519 /nfs/dbraw/zinc/87/45/19/459874519.db2.gz CZFGIIGURUCYBD-OTWHNJEPSA-N 1 3 342.483 3.110 10 0 EGAEHO F[C@@H](c1nc(-c2cccc(CN3CCCCC3)c2)no1)[C@H]1CC[NH2+]C1 ZINC000634553715 460417098 /nfs/dbraw/zinc/41/70/98/460417098.db2.gz FRTSNFISVQFZLA-DLBZAZTESA-N 1 3 344.434 3.343 10 0 EGAEHO C[C@@H](N[C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657901 460492873 /nfs/dbraw/zinc/49/28/73/460492873.db2.gz AZKQWFZAHGCKHK-WBMJQRKESA-N 1 3 330.394 3.059 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623360892 460509735 /nfs/dbraw/zinc/50/97/35/460509735.db2.gz CWHYREQKCNYITA-FQEVSTJZSA-N 1 3 329.532 3.422 10 0 EGAEHO CC1CCN(c2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cn2)CC1 ZINC000623359816 460509774 /nfs/dbraw/zinc/50/97/74/460509774.db2.gz CJOHSPAMYYPALO-SFHVURJKSA-N 1 3 330.520 3.280 10 0 EGAEHO [NH3+]CCCOCCNCc1cc(Cl)ccc1OC1CCCC1 ZINC000629402263 460748168 /nfs/dbraw/zinc/74/81/68/460748168.db2.gz YJHPGTDXXAGSFQ-UHFFFAOYSA-N 1 3 326.868 3.116 10 0 EGAEHO CC[C@H]([NH2+]CC1(N)CCOCC1)c1cc(F)cc(Br)c1 ZINC000629524806 460796546 /nfs/dbraw/zinc/79/65/46/460796546.db2.gz PYKKOPUQECCSGE-AWEZNQCLSA-N 1 3 345.256 3.137 10 0 EGAEHO [NH3+]CCCOCCN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629534525 460799903 /nfs/dbraw/zinc/79/99/03/460799903.db2.gz ALUJYTCOYKNKFB-OAHLLOKOSA-N 1 3 349.475 3.282 10 0 EGAEHO c1cn(CCCC2CC[NH+](Cc3cccc4c3CCNC4)CC2)cn1 ZINC000662278798 461162982 /nfs/dbraw/zinc/16/29/82/461162982.db2.gz MANUVIPCUMZQMC-UHFFFAOYSA-N 1 3 338.499 3.221 10 0 EGAEHO C[C@@H]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662313707 461185525 /nfs/dbraw/zinc/18/55/25/461185525.db2.gz XQPUQGBXLUBXJV-NSISKUIASA-N 1 3 343.515 3.020 10 0 EGAEHO C[NH+](C)CCC[C@H]1CN(CC2CCC(C(F)(F)F)CC2)CCO1 ZINC000662324566 461191593 /nfs/dbraw/zinc/19/15/93/461191593.db2.gz YAIQOCQXZJSUFY-GPANFISMSA-N 1 3 336.442 3.398 10 0 EGAEHO CC[N@H+](CCCNC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000659327614 461296334 /nfs/dbraw/zinc/29/63/34/461296334.db2.gz QTRVVXIIMRIVBY-HXUWFJFHSA-N 1 3 343.515 3.382 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000659327614 461296340 /nfs/dbraw/zinc/29/63/40/461296340.db2.gz QTRVVXIIMRIVBY-HXUWFJFHSA-N 1 3 343.515 3.382 10 0 EGAEHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000646697067 461374506 /nfs/dbraw/zinc/37/45/06/461374506.db2.gz SSXRTFGVIZKFNF-IPMKNSEASA-N 1 3 331.504 3.224 10 0 EGAEHO COC[C@H](CC(C)(C)C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201268 461646206 /nfs/dbraw/zinc/64/62/06/461646206.db2.gz MTQIZKJPYANQDQ-XAUMDUMWSA-N 1 3 332.488 3.283 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000643456700 461731769 /nfs/dbraw/zinc/73/17/69/461731769.db2.gz FMJJIPVKOHMTFA-ICSRJNTNSA-N 1 3 328.456 3.128 10 0 EGAEHO c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCCO2 ZINC000656785140 461895059 /nfs/dbraw/zinc/89/50/59/461895059.db2.gz JKQGTTGBFPTKFD-KRWDZBQOSA-N 1 3 330.472 3.060 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653871622 461911209 /nfs/dbraw/zinc/91/12/09/461911209.db2.gz HOEASZKDFUNAJA-INIZCTEOSA-N 1 3 331.495 3.206 10 0 EGAEHO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000650750823 461933018 /nfs/dbraw/zinc/93/30/18/461933018.db2.gz LPGZMLVDSGJAME-VQIMIIECSA-N 1 3 339.483 3.314 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1sc(CCOC)nc1C ZINC000650757300 461936807 /nfs/dbraw/zinc/93/68/07/461936807.db2.gz UFSUGZDUTPXSLG-ZDUSSCGKSA-N 1 3 333.501 3.211 10 0 EGAEHO Cc1ccccc1-n1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000648035712 461952640 /nfs/dbraw/zinc/95/26/40/461952640.db2.gz MYENQNRMJPOLAK-FQEVSTJZSA-N 1 3 338.499 3.344 10 0 EGAEHO CC(C)[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1(CO)CC=CC1 ZINC000648069926 461967020 /nfs/dbraw/zinc/96/70/20/461967020.db2.gz SJBFYFHOYMAQOG-HXUWFJFHSA-N 1 3 346.515 3.070 10 0 EGAEHO Cc1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c2ccccc2[nH+]1 ZINC000664239886 461993579 /nfs/dbraw/zinc/99/35/79/461993579.db2.gz SHYJSWUZGWHGSG-LJQANCHMSA-N 1 3 347.462 3.144 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1c(C(F)(F)F)cnn1C ZINC000657311701 462036780 /nfs/dbraw/zinc/03/67/80/462036780.db2.gz RWXJEYBXESXCHJ-CYBMUJFWSA-N 1 3 332.414 3.183 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCCNCc1c(C(F)(F)F)cnn1C ZINC000657311701 462036782 /nfs/dbraw/zinc/03/67/82/462036782.db2.gz RWXJEYBXESXCHJ-CYBMUJFWSA-N 1 3 332.414 3.183 10 0 EGAEHO C[C@@H]1C[C@H](CCNCc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415867 462109708 /nfs/dbraw/zinc/10/97/08/462109708.db2.gz ODELTFWJOIDRLG-MJGOQNOKSA-N 1 3 338.499 3.220 10 0 EGAEHO C[C@@H]1C[C@H](CCNCc2cnn3c2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657415867 462109712 /nfs/dbraw/zinc/10/97/12/462109712.db2.gz ODELTFWJOIDRLG-MJGOQNOKSA-N 1 3 338.499 3.220 10 0 EGAEHO COC1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000648484378 462141050 /nfs/dbraw/zinc/14/10/50/462141050.db2.gz WIZLITPURZCEFR-UHFFFAOYSA-N 1 3 340.552 3.451 10 0 EGAEHO CCc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657596114 462197864 /nfs/dbraw/zinc/19/78/64/462197864.db2.gz VDFYREZZIATNKL-QGZVFWFLSA-N 1 3 330.497 3.167 10 0 EGAEHO CCc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657596114 462197869 /nfs/dbraw/zinc/19/78/69/462197869.db2.gz VDFYREZZIATNKL-QGZVFWFLSA-N 1 3 330.497 3.167 10 0 EGAEHO C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657596200 462198021 /nfs/dbraw/zinc/19/80/21/462198021.db2.gz VSFBCGXPCFWPRT-CHMLTUNVSA-N 1 3 336.479 3.446 10 0 EGAEHO CC1(C)C[N@H+](CCCCO)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835380 462209874 /nfs/dbraw/zinc/20/98/74/462209874.db2.gz AKFZVQBXKSLEIF-FQEVSTJZSA-N 1 3 330.516 3.382 10 0 EGAEHO CC1(C)C[N@@H+](CCCCO)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664835380 462209878 /nfs/dbraw/zinc/20/98/78/462209878.db2.gz AKFZVQBXKSLEIF-FQEVSTJZSA-N 1 3 330.516 3.382 10 0 EGAEHO CC1(C)C[N@@H+]([C@H]2CCOC2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837094 462210477 /nfs/dbraw/zinc/21/04/77/462210477.db2.gz MMCFCVMBRWNGTF-VQTJNVASSA-N 1 3 328.500 3.398 10 0 EGAEHO CC1(C)C[N@H+]([C@H]2CCOC2)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664837094 462210479 /nfs/dbraw/zinc/21/04/79/462210479.db2.gz MMCFCVMBRWNGTF-VQTJNVASSA-N 1 3 328.500 3.398 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667688099 462215883 /nfs/dbraw/zinc/21/58/83/462215883.db2.gz FPNHPZKRVDSXNU-QGZVFWFLSA-N 1 3 330.520 3.306 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cnn3c2CCC3)CC1 ZINC000667688099 462215886 /nfs/dbraw/zinc/21/58/86/462215886.db2.gz FPNHPZKRVDSXNU-QGZVFWFLSA-N 1 3 330.520 3.306 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000658093644 462380661 /nfs/dbraw/zinc/38/06/61/462380661.db2.gz CLORBDYNWJTILZ-UXPWSPDFSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000658093644 462380666 /nfs/dbraw/zinc/38/06/66/462380666.db2.gz CLORBDYNWJTILZ-UXPWSPDFSA-N 1 3 338.536 3.061 10 0 EGAEHO COCCN1CC[C@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000651959801 462394108 /nfs/dbraw/zinc/39/41/08/462394108.db2.gz FFFQNWBNMYBNTM-SFHVURJKSA-N 1 3 349.544 3.007 10 0 EGAEHO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139934 462403330 /nfs/dbraw/zinc/40/33/30/462403330.db2.gz OPIIORWRJHSXOM-KXBFYZLASA-N 1 3 330.497 3.036 10 0 EGAEHO Cc1cccc2c1CC[C@H]2NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139977 462404146 /nfs/dbraw/zinc/40/41/46/462404146.db2.gz PCBZNNXUXBPNHL-SIKLNZKXSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1cccc2c1CC[C@H]2NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139977 462404152 /nfs/dbraw/zinc/40/41/52/462404152.db2.gz PCBZNNXUXBPNHL-SIKLNZKXSA-N 1 3 336.479 3.339 10 0 EGAEHO FC1(F)C[C@@]12CCN(Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000652062274 462422324 /nfs/dbraw/zinc/42/23/24/462422324.db2.gz DXAPNYIRMYDMSZ-GOSISDBHSA-N 1 3 336.426 3.392 10 0 EGAEHO CN(C)CCN1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652138651 462445814 /nfs/dbraw/zinc/44/58/14/462445814.db2.gz LDINOLQJJQGARB-OAQYLSRUSA-N 1 3 344.547 3.319 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H]2CCC[C@H]21 ZINC000671746450 548351314 /nfs/dbraw/zinc/35/13/14/548351314.db2.gz MRQPIXIVFPZOBQ-MXSMSXNCSA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H]2CCC[C@H]21 ZINC000671746450 548351316 /nfs/dbraw/zinc/35/13/16/548351316.db2.gz MRQPIXIVFPZOBQ-MXSMSXNCSA-N 1 3 335.442 3.006 10 0 EGAEHO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C)[C@H]3CCC[C@H]31)CCO2 ZINC000671761231 548355374 /nfs/dbraw/zinc/35/53/74/548355374.db2.gz XIKGRDSYHMVDMY-AITUJVMLSA-N 1 3 330.472 3.371 10 0 EGAEHO C[C@@H]1C[C@H](C)CN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000675749228 548973582 /nfs/dbraw/zinc/97/35/82/548973582.db2.gz UCCKVCHOZDHFLX-DYQZNNLLSA-N 1 3 343.559 3.465 10 0 EGAEHO COCC[N@H+](C)CCCNCc1cc2ccnc(Cl)c2s1 ZINC000894174720 1306261576 /nfs/dbraw/zinc/26/15/76/1306261576.db2.gz XVMASPPHFNQLEE-UHFFFAOYSA-N 1 3 327.881 3.008 10 0 EGAEHO COCC[N@@H+](C)CCCNCc1cc2ccnc(Cl)c2s1 ZINC000894174720 1306261587 /nfs/dbraw/zinc/26/15/87/1306261587.db2.gz XVMASPPHFNQLEE-UHFFFAOYSA-N 1 3 327.881 3.008 10 0 EGAEHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cnc1Br ZINC000929783386 1328699764 /nfs/dbraw/zinc/69/97/64/1328699764.db2.gz QFXWCARXKWSLRF-TZMCWYRMSA-N 1 3 326.282 3.067 10 0 EGAEHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cnc1Br ZINC000929783386 1328699784 /nfs/dbraw/zinc/69/97/84/1328699784.db2.gz QFXWCARXKWSLRF-TZMCWYRMSA-N 1 3 326.282 3.067 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000930130665 1328793083 /nfs/dbraw/zinc/79/30/83/1328793083.db2.gz RXDYQUOJQZREEL-MHJFOBGBSA-N 1 3 333.564 3.303 10 0 EGAEHO C[C@@H]1[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000858588464 1328802008 /nfs/dbraw/zinc/80/20/08/1328802008.db2.gz GQEWYFDVTLQWKO-ZBFHGGJFSA-N 1 3 339.524 3.237 10 0 EGAEHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3ccccc3o1)C2 ZINC000922388031 1322515825 /nfs/dbraw/zinc/51/58/25/1322515825.db2.gz NQFWOTWGGNBOJK-IZBJGVDFSA-N 1 3 328.456 3.002 10 0 EGAEHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc3ccccc3o1)C2 ZINC000922388031 1322515829 /nfs/dbraw/zinc/51/58/29/1322515829.db2.gz NQFWOTWGGNBOJK-IZBJGVDFSA-N 1 3 328.456 3.002 10 0 EGAEHO COc1ccccc1N1CC[C@@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000925256579 1325100843 /nfs/dbraw/zinc/10/08/43/1325100843.db2.gz LDWMWRPGUGWLLJ-LJQANCHMSA-N 1 3 345.531 3.374 10 0 EGAEHO C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc([O-])cc(F)c1 ZINC000925300139 1325117250 /nfs/dbraw/zinc/11/72/50/1325117250.db2.gz HKPLNRWERMRLAF-CQSZACIVSA-N 1 3 329.419 3.494 10 0 EGAEHO COc1cccc([C@H](CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)N(C)C)c1 ZINC000925493020 1325175019 /nfs/dbraw/zinc/17/50/19/1325175019.db2.gz JIPMYNWHMPDYTG-HKBOAZHASA-N 1 3 345.531 3.056 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000925545646 1325201829 /nfs/dbraw/zinc/20/18/29/1325201829.db2.gz ZDATWSGLXTXAME-QYZOEREBSA-N 1 3 328.500 3.101 10 0 EGAEHO Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCNC[C@H]3C3CCCC3)C2)cc1 ZINC000925562612 1325210964 /nfs/dbraw/zinc/21/09/64/1325210964.db2.gz IGCDIHYKUAOQFY-CZAAIQMYSA-N 1 3 345.506 3.410 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925600378 1325228498 /nfs/dbraw/zinc/22/84/98/1325228498.db2.gz VNUSWSZIAFWBPB-JKSUJKDBSA-N 1 3 333.545 3.322 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925600378 1325228501 /nfs/dbraw/zinc/22/85/01/1325228501.db2.gz VNUSWSZIAFWBPB-JKSUJKDBSA-N 1 3 333.545 3.322 10 0 EGAEHO CC(C)[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000925787047 1325302066 /nfs/dbraw/zinc/30/20/66/1325302066.db2.gz YTXIAQOTUAAULF-IUODEOHRSA-N 1 3 339.386 3.065 10 0 EGAEHO CCSc1ccccc1[C@H](C)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850044 1325329093 /nfs/dbraw/zinc/32/90/93/1325329093.db2.gz GTDPABUKEFPTOZ-GJZGRUSLSA-N 1 3 348.512 3.135 10 0 EGAEHO C[C@@H]([NH3+])C[C@H](C)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874204 1325338129 /nfs/dbraw/zinc/33/81/29/1325338129.db2.gz PICZPNUFJZSLDI-OLZOCXBDSA-N 1 3 344.409 3.495 10 0 EGAEHO N[C@H]1CCC[C@H]1[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925872984 1325338305 /nfs/dbraw/zinc/33/83/05/1325338305.db2.gz CKUSJXAQCKIAMR-JKSUJKDBSA-N 1 3 342.393 3.249 10 0 EGAEHO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc([O-])cc(F)c1 ZINC000926691511 1327669184 /nfs/dbraw/zinc/66/91/84/1327669184.db2.gz BRFHCGMYYKBWRB-OAHLLOKOSA-N 1 3 343.446 3.489 10 0 EGAEHO C([NH2+]C1CCN(C[C@H]2CCCO2)CC1)[C@@H]1CCN1C1CCCCCC1 ZINC000866562445 1330126957 /nfs/dbraw/zinc/12/69/57/1330126957.db2.gz SFMFJPVDXVRTTM-LEWJYISDSA-N 1 3 349.563 3.017 10 0 EGAEHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2cncc(C)c2)cc1 ZINC000866719709 1330144657 /nfs/dbraw/zinc/14/46/57/1330144657.db2.gz BWXXHSLNUAMZDD-ICSRJNTNSA-N 1 3 325.456 3.278 10 0 EGAEHO CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001323671072 1387421408 /nfs/dbraw/zinc/42/14/08/1387421408.db2.gz YOTCAQSLCBSFBW-FUVPAVLMSA-N 1 3 335.536 3.185 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001324099384 1387542033 /nfs/dbraw/zinc/54/20/33/1387542033.db2.gz VUYWTFBBDCLVCM-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481882485 1394575982 /nfs/dbraw/zinc/57/59/82/1394575982.db2.gz RRFYWBHCNSDFCY-QGZVFWFLSA-N 1 3 325.541 3.027 10 0 EGAEHO CC[C@H](C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1)N(C)C ZINC001324324182 1387591965 /nfs/dbraw/zinc/59/19/65/1387591965.db2.gz WEHPZGCXUVBHPC-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001324518500 1387658897 /nfs/dbraw/zinc/65/88/97/1387658897.db2.gz VMAXVDJULDKDLX-IBGZPJMESA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001324797710 1387775687 /nfs/dbraw/zinc/77/56/87/1387775687.db2.gz KJPDXLLYVQWCMH-ICSRJNTNSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001326585087 1388248915 /nfs/dbraw/zinc/24/89/15/1388248915.db2.gz BPERFPIAGKDVAN-VOTSOKGWSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001327157810 1388413370 /nfs/dbraw/zinc/41/33/70/1388413370.db2.gz VCNVLDFELBZECV-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001327157810 1388413373 /nfs/dbraw/zinc/41/33/73/1388413373.db2.gz VCNVLDFELBZECV-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001327164249 1388417327 /nfs/dbraw/zinc/41/73/27/1388417327.db2.gz SOXLYVMVNNUCBA-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001327164249 1388417331 /nfs/dbraw/zinc/41/73/31/1388417331.db2.gz SOXLYVMVNNUCBA-LJQANCHMSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@H](c1ccccc1)[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001266159432 1377211181 /nfs/dbraw/zinc/21/11/81/1377211181.db2.gz PWMSTADGYUMHHA-ZWKOTPCHSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@H](c1ccccc1)[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001266159432 1377211184 /nfs/dbraw/zinc/21/11/84/1377211184.db2.gz PWMSTADGYUMHHA-ZWKOTPCHSA-N 1 3 343.515 3.060 10 0 EGAEHO CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001266848964 1377393264 /nfs/dbraw/zinc/39/32/64/1377393264.db2.gz JHDPWZPSIPYZER-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001266848964 1377393266 /nfs/dbraw/zinc/39/32/66/1377393266.db2.gz JHDPWZPSIPYZER-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001266971955 1377406235 /nfs/dbraw/zinc/40/62/35/1377406235.db2.gz RSGWSJJHLDYHKS-INIZCTEOSA-N 1 3 337.552 3.029 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001268271714 1377504743 /nfs/dbraw/zinc/50/47/43/1377504743.db2.gz SRCBAISGBWKSKT-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001268271714 1377504745 /nfs/dbraw/zinc/50/47/45/1377504745.db2.gz SRCBAISGBWKSKT-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1cccc(CN(C)CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001272152602 1377659010 /nfs/dbraw/zinc/65/90/10/1377659010.db2.gz YVOBOABMXUQNON-PMACEKPBSA-N 1 3 345.531 3.006 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001279574377 1378312779 /nfs/dbraw/zinc/31/27/79/1378312779.db2.gz TXVHLCNUNFNGCA-UHFFFAOYSA-N 1 3 345.531 3.110 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001279574377 1378312784 /nfs/dbraw/zinc/31/27/84/1378312784.db2.gz TXVHLCNUNFNGCA-UHFFFAOYSA-N 1 3 345.531 3.110 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663183 1378532202 /nfs/dbraw/zinc/53/22/02/1378532202.db2.gz AABGJTCWNNIJCK-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001282663183 1378532204 /nfs/dbraw/zinc/53/22/04/1378532204.db2.gz AABGJTCWNNIJCK-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813363 1378624172 /nfs/dbraw/zinc/62/41/72/1378624172.db2.gz WIISGDZNVCAVPU-ZSQQTYLHSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813363 1378624174 /nfs/dbraw/zinc/62/41/74/1378624174.db2.gz WIISGDZNVCAVPU-ZSQQTYLHSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001282957056 1378684246 /nfs/dbraw/zinc/68/42/46/1378684246.db2.gz CZHLURIHEFLSLA-VAMGGRTRSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C1 ZINC001282957056 1378684248 /nfs/dbraw/zinc/68/42/48/1378684248.db2.gz CZHLURIHEFLSLA-VAMGGRTRSA-N 1 3 347.547 3.044 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001283938785 1379288697 /nfs/dbraw/zinc/28/86/97/1379288697.db2.gz JXQSKCVVFQWOGK-YLJYHZDGSA-N 1 3 345.531 3.229 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001327902336 1388619758 /nfs/dbraw/zinc/61/97/58/1388619758.db2.gz LQZKEBZRDASSPM-DLBZAZTESA-N 1 3 339.568 3.227 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001284331882 1379727520 /nfs/dbraw/zinc/72/75/20/1379727520.db2.gz LCGZSXPBRBDSFX-YZPMEYCISA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CC1(C)C ZINC001284331879 1379727537 /nfs/dbraw/zinc/72/75/37/1379727537.db2.gz LCGZSXPBRBDSFX-AWTIPJNISA-N 1 3 349.563 3.432 10 0 EGAEHO CC(C)C[N@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001284545559 1379954398 /nfs/dbraw/zinc/95/43/98/1379954398.db2.gz WINDHKRQEADCSO-IBGZPJMESA-N 1 3 343.531 3.024 10 0 EGAEHO CC(C)C[N@@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001284545559 1379954400 /nfs/dbraw/zinc/95/44/00/1379954400.db2.gz WINDHKRQEADCSO-IBGZPJMESA-N 1 3 343.531 3.024 10 0 EGAEHO CCc1ccccc1C[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001284643499 1380050860 /nfs/dbraw/zinc/05/08/60/1380050860.db2.gz UGDGNLQCVVGFOM-MOPGFXCFSA-N 1 3 347.547 3.210 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328254020 1388699398 /nfs/dbraw/zinc/69/93/98/1388699398.db2.gz DEOZOGUCDITHDL-JKCVZHOFSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001328254020 1388699405 /nfs/dbraw/zinc/69/94/05/1388699405.db2.gz DEOZOGUCDITHDL-JKCVZHOFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001316668660 1384513107 /nfs/dbraw/zinc/51/31/07/1384513107.db2.gz JUPLDZCKDMHBGS-QZTJIDSGSA-N 1 3 337.552 3.076 10 0 EGAEHO CCCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001316671558 1384514568 /nfs/dbraw/zinc/51/45/68/1384514568.db2.gz SXDRNBMGNQNXFK-RTBURBONSA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C)N(CC)CC ZINC001316792822 1384585934 /nfs/dbraw/zinc/58/59/34/1384585934.db2.gz MQMCWGPYVPLKGU-IXDOHACOSA-N 1 3 325.541 3.122 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C)N(CC)CC ZINC001316792822 1384585935 /nfs/dbraw/zinc/58/59/35/1384585935.db2.gz MQMCWGPYVPLKGU-IXDOHACOSA-N 1 3 325.541 3.122 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810854 1384606842 /nfs/dbraw/zinc/60/68/42/1384606842.db2.gz JQICKQLQHDYFDA-TUYSUELWSA-N 1 3 346.519 3.224 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001316810854 1384606844 /nfs/dbraw/zinc/60/68/44/1384606844.db2.gz JQICKQLQHDYFDA-TUYSUELWSA-N 1 3 346.519 3.224 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877687 1384662171 /nfs/dbraw/zinc/66/21/71/1384662171.db2.gz FYMVUDRUMOELAE-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001317005283 1384766315 /nfs/dbraw/zinc/76/63/15/1384766315.db2.gz GYHHKHNRVXSSPE-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001317100898 1384864485 /nfs/dbraw/zinc/86/44/85/1384864485.db2.gz ZAIGIWJDBBQRKA-PMACEKPBSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001317100898 1384864489 /nfs/dbraw/zinc/86/44/89/1384864489.db2.gz ZAIGIWJDBBQRKA-PMACEKPBSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001317183225 1384958368 /nfs/dbraw/zinc/95/83/68/1384958368.db2.gz NIKRRERGGXWDOZ-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001317192996 1384967064 /nfs/dbraw/zinc/96/70/64/1384967064.db2.gz RDMKXEWJABJMHE-JHRJRCTKSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001317415168 1385125292 /nfs/dbraw/zinc/12/52/92/1385125292.db2.gz IUZAYQSGMUZRCQ-LSDHHAIUSA-N 1 3 339.911 3.226 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001317504708 1385210176 /nfs/dbraw/zinc/21/01/76/1385210176.db2.gz IGQCSNNJFUNALG-KAGICYHLSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001317504708 1385210178 /nfs/dbraw/zinc/21/01/78/1385210178.db2.gz IGQCSNNJFUNALG-KAGICYHLSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CCCC1 ZINC001317544921 1385290487 /nfs/dbraw/zinc/29/04/87/1385290487.db2.gz UUXRCNNPBDFHNG-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CCCC1 ZINC001317544921 1385290491 /nfs/dbraw/zinc/29/04/91/1385290491.db2.gz UUXRCNNPBDFHNG-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317955057 1385585636 /nfs/dbraw/zinc/58/56/36/1385585636.db2.gz CNTNPZGRBZMZLF-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317955057 1385585640 /nfs/dbraw/zinc/58/56/40/1385585640.db2.gz CNTNPZGRBZMZLF-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524806 1385734560 /nfs/dbraw/zinc/73/45/60/1385734560.db2.gz PSYQFUJHRYRWCL-UXHICEINSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318531573 1385740134 /nfs/dbraw/zinc/74/01/34/1385740134.db2.gz VDSOLMDLPAVBCY-ZWKOTPCHSA-N 1 3 345.531 3.333 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001318570586 1385763448 /nfs/dbraw/zinc/76/34/48/1385763448.db2.gz PMOZGGCGBIQCOZ-ZWKOTPCHSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001318982843 1385908464 /nfs/dbraw/zinc/90/84/64/1385908464.db2.gz BOQKKGXIMUQWPW-BRSBDYLESA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001698621573 1406259830 /nfs/dbraw/zinc/25/98/30/1406259830.db2.gz WSZMXARQXMCHLT-JXFKEZNVSA-N 1 3 345.531 3.061 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001319150780 1385981868 /nfs/dbraw/zinc/98/18/68/1385981868.db2.gz VBNCSAHHWATXFR-BQYQJAHWSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001319150780 1385981872 /nfs/dbraw/zinc/98/18/72/1385981872.db2.gz VBNCSAHHWATXFR-BQYQJAHWSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001319377973 1386091550 /nfs/dbraw/zinc/09/15/50/1386091550.db2.gz RRYHDMRYVOYGAG-ZWKOTPCHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cc1 ZINC001321188947 1386835695 /nfs/dbraw/zinc/83/56/95/1386835695.db2.gz KQGGKUPDLNKWSW-DEEXUGAQSA-N 1 3 343.515 3.227 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001698689614 1406334979 /nfs/dbraw/zinc/33/49/79/1406334979.db2.gz GGFCQAAAKSXESB-WOJBJXKFSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001322183256 1387092973 /nfs/dbraw/zinc/09/29/73/1387092973.db2.gz OIHLMIQNUMRUSU-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001322183256 1387092974 /nfs/dbraw/zinc/09/29/74/1387092974.db2.gz OIHLMIQNUMRUSU-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001322852269 1387246836 /nfs/dbraw/zinc/24/68/36/1387246836.db2.gz LZVAKWDUZWHVIH-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001322852433 1387246916 /nfs/dbraw/zinc/24/69/16/1387246916.db2.gz OLQSMQMASDTJJD-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001329937261 1389266569 /nfs/dbraw/zinc/26/65/69/1389266569.db2.gz NQEYWBVRQZMPIB-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001329937261 1389266570 /nfs/dbraw/zinc/26/65/70/1389266570.db2.gz NQEYWBVRQZMPIB-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO Cc1ccccc1C[NH+]1CCC(CCNC(=O)CN(C)C(C)C)CC1 ZINC001698727207 1406378213 /nfs/dbraw/zinc/37/82/13/1406378213.db2.gz WWAADOOYOSXQMY-UHFFFAOYSA-N 1 3 345.531 3.054 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001698740035 1406390912 /nfs/dbraw/zinc/39/09/12/1406390912.db2.gz WKPMJSQEKWIXTQ-BQYQJAHWSA-N 1 3 349.563 3.389 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001698740035 1406390917 /nfs/dbraw/zinc/39/09/17/1406390917.db2.gz WKPMJSQEKWIXTQ-BQYQJAHWSA-N 1 3 349.563 3.389 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001331344822 1389711186 /nfs/dbraw/zinc/71/11/86/1389711186.db2.gz CTYFMZDZSMUVPJ-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750474 1406401794 /nfs/dbraw/zinc/40/17/94/1406401794.db2.gz YFNBHQDGMCDBHG-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CC1(C)C ZINC001332428431 1390114799 /nfs/dbraw/zinc/11/47/99/1390114799.db2.gz OZYZNUKZFJYARX-MSOLQXFVSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CCN1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001698811658 1406498644 /nfs/dbraw/zinc/49/86/44/1406498644.db2.gz QHXOKIQAKKVURZ-UHFFFAOYSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001479685049 1392317953 /nfs/dbraw/zinc/31/79/53/1392317953.db2.gz AXAJUHSUMNMPCW-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729877 1392341229 /nfs/dbraw/zinc/34/12/29/1392341229.db2.gz MPKVFAPTHKNAAU-CXLYAGSJSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@H]1C ZINC001479729877 1392341240 /nfs/dbraw/zinc/34/12/40/1392341240.db2.gz MPKVFAPTHKNAAU-CXLYAGSJSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021290 1392538738 /nfs/dbraw/zinc/53/87/38/1392538738.db2.gz YTSVOGHRDBYKPP-VQTJNVASSA-N 1 3 347.547 3.234 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)CC(C)(C)C ZINC001480158412 1392604040 /nfs/dbraw/zinc/60/40/40/1392604040.db2.gz PBQRYPXCXSYDHR-IYARVYRRSA-N 1 3 337.552 3.172 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21)CC(C)(C)C ZINC001480190243 1392619826 /nfs/dbraw/zinc/61/98/26/1392619826.db2.gz YOPOVCKDUQHLMC-OALUTQOASA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21)CC(C)(C)C ZINC001480190243 1392619827 /nfs/dbraw/zinc/61/98/27/1392619827.db2.gz YOPOVCKDUQHLMC-OALUTQOASA-N 1 3 349.563 3.077 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001480346823 1392698701 /nfs/dbraw/zinc/69/87/01/1392698701.db2.gz JSGDFNWEKXHOKD-OBNUAKFSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001480737849 1392903880 /nfs/dbraw/zinc/90/38/80/1392903880.db2.gz AKCHNUORCJNJOW-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)N(C)C ZINC001480737849 1392903882 /nfs/dbraw/zinc/90/38/82/1392903882.db2.gz AKCHNUORCJNJOW-RTBURBONSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001490975903 1394390056 /nfs/dbraw/zinc/39/00/56/1394390056.db2.gz PFKGYLZSHFMIFK-XVLXNVKGSA-N 1 3 349.563 3.120 10 0 EGAEHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001490975903 1394390060 /nfs/dbraw/zinc/39/00/60/1394390060.db2.gz PFKGYLZSHFMIFK-XVLXNVKGSA-N 1 3 349.563 3.120 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001491681284 1394525620 /nfs/dbraw/zinc/52/56/20/1394525620.db2.gz CVJKBFFWMDQPLN-IRXDYDNUSA-N 1 3 341.499 3.335 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001481838429 1394553086 /nfs/dbraw/zinc/55/30/86/1394553086.db2.gz BVDRUBQJVWENKH-ZWKOTPCHSA-N 1 3 345.531 3.415 10 0 EGAEHO CN(CC(=O)N1CCC(CC[NH2+]CCC(C)(C)C)CC1)C1CCC1 ZINC001481999575 1394658506 /nfs/dbraw/zinc/65/85/06/1394658506.db2.gz PWKRVCDTCLSBAT-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001482071903 1394735431 /nfs/dbraw/zinc/73/54/31/1394735431.db2.gz MJILZPLEFAMUOC-IBGZPJMESA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001482071903 1394735433 /nfs/dbraw/zinc/73/54/33/1394735433.db2.gz MJILZPLEFAMUOC-IBGZPJMESA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001482369504 1394932018 /nfs/dbraw/zinc/93/20/18/1394932018.db2.gz YJELMWSYPCJPKG-MRXNPFEDSA-N 1 3 333.520 3.235 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)N(C)C ZINC001484011861 1395185392 /nfs/dbraw/zinc/18/53/92/1395185392.db2.gz DNXBWOBMFJZQSC-RTBURBONSA-N 1 3 335.536 3.092 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)N(C)C ZINC001484388904 1395356688 /nfs/dbraw/zinc/35/66/88/1395356688.db2.gz OPLAYRHGFDGUER-IYWMVGAKSA-N 1 3 349.563 3.266 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)N(C)C ZINC001484388904 1395356692 /nfs/dbraw/zinc/35/66/92/1395356692.db2.gz OPLAYRHGFDGUER-IYWMVGAKSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001484389571 1395357590 /nfs/dbraw/zinc/35/75/90/1395357590.db2.gz NRTGANNIBMILEH-REPLKXPHSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001484389571 1395357594 /nfs/dbraw/zinc/35/75/94/1395357594.db2.gz NRTGANNIBMILEH-REPLKXPHSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)N1CCCCCC1 ZINC001484653924 1395463824 /nfs/dbraw/zinc/46/38/24/1395463824.db2.gz VUQUWBDIQKIMGF-QGZVFWFLSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001484816497 1395550908 /nfs/dbraw/zinc/55/09/08/1395550908.db2.gz LBVQXVZOXVDIKR-SFHVURJKSA-N 1 3 347.547 3.189 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC)C2)C1 ZINC001485082135 1395652430 /nfs/dbraw/zinc/65/24/30/1395652430.db2.gz MJFIUXIKVKSMCJ-RTBURBONSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC)C2)C1 ZINC001485082135 1395652435 /nfs/dbraw/zinc/65/24/35/1395652435.db2.gz MJFIUXIKVKSMCJ-RTBURBONSA-N 1 3 337.552 3.079 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001485214243 1395709900 /nfs/dbraw/zinc/70/99/00/1395709900.db2.gz DQDIFJUHRCPRMG-GJZGRUSLSA-N 1 3 334.508 3.104 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC001485310045 1395788252 /nfs/dbraw/zinc/78/82/52/1395788252.db2.gz OHHNAGHBCGRYIK-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001485310045 1395788256 /nfs/dbraw/zinc/78/82/56/1395788256.db2.gz OHHNAGHBCGRYIK-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242510 1396188158 /nfs/dbraw/zinc/18/81/58/1396188158.db2.gz LQYIPBFJELEPTN-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[N@H+](CC=C(C)C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001505399598 1396287445 /nfs/dbraw/zinc/28/74/45/1396287445.db2.gz SLHPJJJRECIOIR-UHFFFAOYSA-N 1 3 349.563 3.245 10 0 EGAEHO CC[N@@H+](CC=C(C)C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001505399598 1396287446 /nfs/dbraw/zinc/28/74/46/1396287446.db2.gz SLHPJJJRECIOIR-UHFFFAOYSA-N 1 3 349.563 3.245 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001491965533 1396301413 /nfs/dbraw/zinc/30/14/13/1396301413.db2.gz NNOYUUMWXQLWAB-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001491965533 1396301414 /nfs/dbraw/zinc/30/14/14/1396301414.db2.gz NNOYUUMWXQLWAB-HXUWFJFHSA-N 1 3 345.531 3.066 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140076 1396338198 /nfs/dbraw/zinc/33/81/98/1396338198.db2.gz NFFKEAJOUYTCPA-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1)N1CCCCCC1 ZINC001493140076 1396338199 /nfs/dbraw/zinc/33/81/99/1396338199.db2.gz NFFKEAJOUYTCPA-PKOBYXMFSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001494072306 1396351098 /nfs/dbraw/zinc/35/10/98/1396351098.db2.gz ASCFHSNTTODAMR-MOPGFXCFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001494072306 1396351100 /nfs/dbraw/zinc/35/11/00/1396351100.db2.gz ASCFHSNTTODAMR-MOPGFXCFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001496179556 1396620543 /nfs/dbraw/zinc/62/05/43/1396620543.db2.gz SXBWPILJJWQAAS-MJGOQNOKSA-N 1 3 337.552 3.266 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001496389269 1396683545 /nfs/dbraw/zinc/68/35/45/1396683545.db2.gz KXFGULWDDVORFH-PMACEKPBSA-N 1 3 347.547 3.332 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001497994072 1396907664 /nfs/dbraw/zinc/90/76/64/1396907664.db2.gz WHCZDPKLSHHLMJ-UYAOXDASSA-N 1 3 345.531 3.081 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001498454219 1396999534 /nfs/dbraw/zinc/99/95/34/1396999534.db2.gz AVDKOQCCROUIKG-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001498454219 1396999535 /nfs/dbraw/zinc/99/95/35/1396999535.db2.gz AVDKOQCCROUIKG-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689363496 1403700891 /nfs/dbraw/zinc/70/08/91/1403700891.db2.gz UVHQIYUMHYMIPW-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689363496 1403700894 /nfs/dbraw/zinc/70/08/94/1403700894.db2.gz UVHQIYUMHYMIPW-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001689878051 1404180838 /nfs/dbraw/zinc/18/08/38/1404180838.db2.gz VPOFMQQBIVTXNG-HXUWFJFHSA-N 1 3 341.499 3.118 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001689878051 1404180841 /nfs/dbraw/zinc/18/08/41/1404180841.db2.gz VPOFMQQBIVTXNG-HXUWFJFHSA-N 1 3 341.499 3.118 10 0 EGAEHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001690207359 1404415165 /nfs/dbraw/zinc/41/51/65/1404415165.db2.gz VJBSEAGTDIVJRF-OAOPFVHKSA-N 1 3 347.547 3.282 10 0 EGAEHO CCC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001690207359 1404415169 /nfs/dbraw/zinc/41/51/69/1404415169.db2.gz VJBSEAGTDIVJRF-OAOPFVHKSA-N 1 3 347.547 3.282 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690394057 1404536238 /nfs/dbraw/zinc/53/62/38/1404536238.db2.gz RPVXJZAOUPWBHE-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690394057 1404536243 /nfs/dbraw/zinc/53/62/43/1404536243.db2.gz RPVXJZAOUPWBHE-DLBZAZTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502576 1404616248 /nfs/dbraw/zinc/61/62/48/1404616248.db2.gz ZWZBUOFBRSNBAE-FNYRVFDFSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690502576 1404616250 /nfs/dbraw/zinc/61/62/50/1404616250.db2.gz ZWZBUOFBRSNBAE-FNYRVFDFSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001690541630 1404627174 /nfs/dbraw/zinc/62/71/74/1404627174.db2.gz JDLSRXVMWDEMMR-LMDPOFIKSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001725151908 1425638386 /nfs/dbraw/zinc/63/83/86/1425638386.db2.gz ZNMWNZXPHJJZFR-OALUTQOASA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001691254888 1405182709 /nfs/dbraw/zinc/18/27/09/1405182709.db2.gz GXPDUNJTBBUAPH-GBESFXJTSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001691275574 1405187769 /nfs/dbraw/zinc/18/77/69/1405187769.db2.gz SXDRNBMGNQNXFK-OALUTQOASA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001691595152 1405350529 /nfs/dbraw/zinc/35/05/29/1405350529.db2.gz IHBVRAPMFQEKEP-FGTMMUONSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1ccc(F)cc1 ZINC001691732445 1405455931 /nfs/dbraw/zinc/45/59/31/1405455931.db2.gz GCOXCKXXKBVAEU-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1ccc(F)cc1 ZINC001691732445 1405455934 /nfs/dbraw/zinc/45/59/34/1405455934.db2.gz GCOXCKXXKBVAEU-UHFFFAOYSA-N 1 3 349.494 3.027 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691832290 1405545879 /nfs/dbraw/zinc/54/58/79/1405545879.db2.gz ZDKQIRVUKUXZGF-ZULIPRJHSA-N 1 3 349.563 3.314 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001692194863 1405834381 /nfs/dbraw/zinc/83/43/81/1405834381.db2.gz MZGRLHHKSUEXFC-OXUXSNCKSA-N 1 3 347.547 3.330 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1CC ZINC001692194863 1405834383 /nfs/dbraw/zinc/83/43/83/1405834383.db2.gz MZGRLHHKSUEXFC-OXUXSNCKSA-N 1 3 347.547 3.330 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001692279374 1405912119 /nfs/dbraw/zinc/91/21/19/1405912119.db2.gz DQBIKQQFYQQIBJ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001692279374 1405912123 /nfs/dbraw/zinc/91/21/23/1405912123.db2.gz DQBIKQQFYQQIBJ-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1 ZINC001732149318 1428392471 /nfs/dbraw/zinc/39/24/71/1428392471.db2.gz BSVYJGMOKAMAML-PMACEKPBSA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001732206280 1428455803 /nfs/dbraw/zinc/45/58/03/1428455803.db2.gz SEVHQUBUFKUQLA-OALUTQOASA-N 1 3 345.531 3.497 10 0 EGAEHO CCCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001732303501 1428520565 /nfs/dbraw/zinc/52/05/65/1428520565.db2.gz RIMDLWPFJPZSJQ-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1 ZINC001732404713 1428568320 /nfs/dbraw/zinc/56/83/20/1428568320.db2.gz AOZAWNKAJMKFFD-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001732458935 1428591263 /nfs/dbraw/zinc/59/12/63/1428591263.db2.gz MLZWXWUEKDOPJE-HNNXBMFYSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001699307422 1412629792 /nfs/dbraw/zinc/62/97/92/1412629792.db2.gz GEHTUTCDHJGAPR-GMMSVRSPSA-N 1 3 337.895 3.003 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001699345921 1412654609 /nfs/dbraw/zinc/65/46/09/1412654609.db2.gz RKMHTIJEWUUTFE-FQQSSWHASA-N 1 3 333.520 3.013 10 0 EGAEHO CC(C)(C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CCCC1)N1CCCCC1 ZINC001699790490 1413196780 /nfs/dbraw/zinc/19/67/80/1413196780.db2.gz QQRSSSFTDVGGHM-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181162 1413594955 /nfs/dbraw/zinc/59/49/55/1413594955.db2.gz PUHPCYAYZCXGDK-ZEVQVBBLSA-N 1 3 337.552 3.291 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181162 1413594957 /nfs/dbraw/zinc/59/49/57/1413594957.db2.gz PUHPCYAYZCXGDK-ZEVQVBBLSA-N 1 3 337.552 3.291 10 0 EGAEHO CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001700216825 1413660390 /nfs/dbraw/zinc/66/03/90/1413660390.db2.gz IOFFRNWHDTZXLL-ZEVQVBBLSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001700216821 1413660744 /nfs/dbraw/zinc/66/07/44/1413660744.db2.gz IOFFRNWHDTZXLL-JTHGQSKGSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227695 1413683833 /nfs/dbraw/zinc/68/38/33/1413683833.db2.gz SNMVSAORJXFIBH-FNEOHHHZSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227695 1413683835 /nfs/dbraw/zinc/68/38/35/1413683835.db2.gz SNMVSAORJXFIBH-FNEOHHHZSA-N 1 3 347.547 3.142 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001700475707 1414101809 /nfs/dbraw/zinc/10/18/09/1414101809.db2.gz FWAZRLKHSXDUGO-AZUAARDMSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001700475707 1414101811 /nfs/dbraw/zinc/10/18/11/1414101811.db2.gz FWAZRLKHSXDUGO-AZUAARDMSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001700677739 1414332141 /nfs/dbraw/zinc/33/21/41/1414332141.db2.gz GTPGDKFHCRSYOL-ROUUACIJSA-N 1 3 345.531 3.415 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001701001575 1414654487 /nfs/dbraw/zinc/65/44/87/1414654487.db2.gz SFKVRENSFJIXQF-MSOLQXFVSA-N 1 3 339.568 3.418 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001701061296 1414717992 /nfs/dbraw/zinc/71/79/92/1414717992.db2.gz HQRWFUUMHWIQHK-RTBURBONSA-N 1 3 349.563 3.293 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001701061296 1414717996 /nfs/dbraw/zinc/71/79/96/1414717996.db2.gz HQRWFUUMHWIQHK-RTBURBONSA-N 1 3 349.563 3.293 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)C1 ZINC001733689513 1429905522 /nfs/dbraw/zinc/90/55/22/1429905522.db2.gz DDWBSVUFCZIUSD-KZNAEPCWSA-N 1 3 337.552 3.029 10 0 EGAEHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001707115306 1417207418 /nfs/dbraw/zinc/20/74/18/1417207418.db2.gz IFLJFVCEJGMFGZ-ZWKOTPCHSA-N 1 3 337.552 3.029 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045816 1429178831 /nfs/dbraw/zinc/17/88/31/1429178831.db2.gz SEAJTBSDGBHURB-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001733045816 1429178833 /nfs/dbraw/zinc/17/88/33/1429178833.db2.gz SEAJTBSDGBHURB-QZTJIDSGSA-N 1 3 345.531 3.285 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001712952568 1417510479 /nfs/dbraw/zinc/51/04/79/1417510479.db2.gz PYDQPQMXBJVWLV-DLBZAZTESA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001712952568 1417510493 /nfs/dbraw/zinc/51/04/93/1417510493.db2.gz PYDQPQMXBJVWLV-DLBZAZTESA-N 1 3 349.494 3.199 10 0 EGAEHO CC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001713025131 1417576815 /nfs/dbraw/zinc/57/68/15/1417576815.db2.gz UHHJFDGKIINGEM-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001713025131 1417576817 /nfs/dbraw/zinc/57/68/17/1417576817.db2.gz UHHJFDGKIINGEM-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](CC1CCC(C)CC1)C1CC1 ZINC001713048101 1417599123 /nfs/dbraw/zinc/59/91/23/1417599123.db2.gz LXLZLECIGNYGBR-UHFFFAOYSA-N 1 3 346.519 3.058 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](CC1CCC(C)CC1)C1CC1 ZINC001713048101 1417599125 /nfs/dbraw/zinc/59/91/25/1417599125.db2.gz LXLZLECIGNYGBR-UHFFFAOYSA-N 1 3 346.519 3.058 10 0 EGAEHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001713101455 1417654500 /nfs/dbraw/zinc/65/45/00/1417654500.db2.gz UHKQKTGYWVTOIK-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001713275483 1417892918 /nfs/dbraw/zinc/89/29/18/1417892918.db2.gz JIDZQQYEUOILKS-IEBWSBKVSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001713275483 1417892922 /nfs/dbraw/zinc/89/29/22/1417892922.db2.gz JIDZQQYEUOILKS-IEBWSBKVSA-N 1 3 347.547 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC001733144409 1429261211 /nfs/dbraw/zinc/26/12/11/1429261211.db2.gz FEEFPRQHBPOCDG-MJGOQNOKSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N(CC)CC ZINC001713830918 1418629463 /nfs/dbraw/zinc/62/94/63/1418629463.db2.gz FXXXKDGGXYTNLW-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(CC)CC ZINC001713830918 1418629464 /nfs/dbraw/zinc/62/94/64/1418629464.db2.gz FXXXKDGGXYTNLW-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001714019367 1418800561 /nfs/dbraw/zinc/80/05/61/1418800561.db2.gz CCEDGSWJEOACKG-RBUKOAKNSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001714019367 1418800566 /nfs/dbraw/zinc/80/05/66/1418800566.db2.gz CCEDGSWJEOACKG-RBUKOAKNSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001714049152 1418847446 /nfs/dbraw/zinc/84/74/46/1418847446.db2.gz UEGHBAJFKRVTLP-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001714049152 1418847449 /nfs/dbraw/zinc/84/74/49/1418847449.db2.gz UEGHBAJFKRVTLP-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714065790 1418862224 /nfs/dbraw/zinc/86/22/24/1418862224.db2.gz KDHOQYMGILUMAW-ZMBJWTFHSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](C)C[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001714199818 1419004449 /nfs/dbraw/zinc/00/44/49/1419004449.db2.gz HSCOXKSZWGRDGU-DZIBYMRMSA-N 1 3 345.531 3.425 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001714331625 1419111606 /nfs/dbraw/zinc/11/16/06/1419111606.db2.gz AHCCJKIDHYJGND-UHFFFAOYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418380 1419155751 /nfs/dbraw/zinc/15/57/51/1419155751.db2.gz YYTYDOVHZIBEPY-RTBURBONSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N1CCCCC1 ZINC001733210649 1429321149 /nfs/dbraw/zinc/32/11/49/1429321149.db2.gz LFYOOYSCWFVDOT-SFHVURJKSA-N 1 3 347.547 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1)N1CCCCC1 ZINC001733210649 1429321150 /nfs/dbraw/zinc/32/11/50/1429321150.db2.gz LFYOOYSCWFVDOT-SFHVURJKSA-N 1 3 347.547 3.022 10 0 EGAEHO CC[N@H+](CCNC(=O)c1cccc(CN(C)C)c1)CC1CC(C)(C)C1 ZINC001714599749 1419355004 /nfs/dbraw/zinc/35/50/04/1419355004.db2.gz OJQKABBMUHPLFN-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[N@@H+](CCNC(=O)c1cccc(CN(C)C)c1)CC1CC(C)(C)C1 ZINC001714599749 1419355006 /nfs/dbraw/zinc/35/50/06/1419355006.db2.gz OJQKABBMUHPLFN-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769671 1419500413 /nfs/dbraw/zinc/50/04/13/1419500413.db2.gz FKYJDRPGJVVGCR-AEFFLSMTSA-N 1 3 337.552 3.122 10 0 EGAEHO CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001714861170 1419583154 /nfs/dbraw/zinc/58/31/54/1419583154.db2.gz JABDPDYWFYATAT-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714884484 1419624123 /nfs/dbraw/zinc/62/41/23/1419624123.db2.gz NDHLPCXVPDSBQC-VQTJNVASSA-N 1 3 347.547 3.189 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001714884484 1419624126 /nfs/dbraw/zinc/62/41/26/1419624126.db2.gz NDHLPCXVPDSBQC-VQTJNVASSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)[C@H](C(=O)NCC1CN(CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001714982168 1419717169 /nfs/dbraw/zinc/71/71/69/1419717169.db2.gz NWMSUJDIPSHDGN-HXUWFJFHSA-N 1 3 347.547 3.045 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071077 1419806384 /nfs/dbraw/zinc/80/63/84/1419806384.db2.gz BOZIBQVJJIVNAW-QFBILLFUSA-N 1 3 349.494 3.075 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001715121717 1419866566 /nfs/dbraw/zinc/86/65/66/1419866566.db2.gz BGYXEQIQBRZUBK-UTKZUKDTSA-N 1 3 345.531 3.271 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238343 1429380214 /nfs/dbraw/zinc/38/02/14/1429380214.db2.gz SZAPKKNXOWRNPR-PMACEKPBSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1)N1CCCCCC1 ZINC001715256820 1419979455 /nfs/dbraw/zinc/97/94/55/1419979455.db2.gz OTZSPKQMHCJRCC-QZTJIDSGSA-N 1 3 349.563 3.173 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001715718093 1420309598 /nfs/dbraw/zinc/30/95/98/1420309598.db2.gz YUIXCDXDYJWTAX-CQOFWLJFSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1)N(C)C ZINC001716005821 1420459969 /nfs/dbraw/zinc/45/99/69/1420459969.db2.gz ZIJDBZMTGMNUHD-FUHWJXTLSA-N 1 3 325.541 3.027 10 0 EGAEHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716222374 1420571045 /nfs/dbraw/zinc/57/10/45/1420571045.db2.gz YNDSLZKCXVFWQH-IAGOWNOFSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001716222374 1420571047 /nfs/dbraw/zinc/57/10/47/1420571047.db2.gz YNDSLZKCXVFWQH-IAGOWNOFSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515499 1420745256 /nfs/dbraw/zinc/74/52/56/1420745256.db2.gz JUEAYMRSWQQNQY-ZWKOTPCHSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716798750 1420931897 /nfs/dbraw/zinc/93/18/97/1420931897.db2.gz FBDWOKDZADOVHU-QZTJIDSGSA-N 1 3 347.547 3.330 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901243 1421032103 /nfs/dbraw/zinc/03/21/03/1421032103.db2.gz DOYAYAWQOYXURU-ROUKRRSUSA-N 1 3 346.519 3.225 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001716901243 1421032105 /nfs/dbraw/zinc/03/21/05/1421032105.db2.gz DOYAYAWQOYXURU-ROUKRRSUSA-N 1 3 346.519 3.225 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001717201945 1421169953 /nfs/dbraw/zinc/16/99/53/1421169953.db2.gz LLGBFMDKEGZCGG-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001717201945 1421169956 /nfs/dbraw/zinc/16/99/56/1421169956.db2.gz LLGBFMDKEGZCGG-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)CC2(C)C)CCC1 ZINC001717309738 1421252456 /nfs/dbraw/zinc/25/24/56/1421252456.db2.gz SCNQWAZZLFPDMG-KRWDZBQOSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)CC2(C)C)CCC1 ZINC001717309738 1421252458 /nfs/dbraw/zinc/25/24/58/1421252458.db2.gz SCNQWAZZLFPDMG-KRWDZBQOSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)CC(C)(C)C ZINC001717372975 1421313415 /nfs/dbraw/zinc/31/34/15/1421313415.db2.gz GBFGVJIGZFRDQN-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1)CC(C)(C)C ZINC001717372975 1421313421 /nfs/dbraw/zinc/31/34/21/1421313421.db2.gz GBFGVJIGZFRDQN-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCCC1)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001717422822 1421352849 /nfs/dbraw/zinc/35/28/49/1421352849.db2.gz LFTUUSHBRKBQIP-SJORKVTESA-N 1 3 337.552 3.314 10 0 EGAEHO CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001717448403 1421378124 /nfs/dbraw/zinc/37/81/24/1421378124.db2.gz JAORFKXRFREAAM-AATRIKPKSA-N 1 3 332.492 3.058 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001717483998 1421419235 /nfs/dbraw/zinc/41/92/35/1421419235.db2.gz QWHWGRAWJNPHFV-SFHVURJKSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001717483998 1421419237 /nfs/dbraw/zinc/41/92/37/1421419237.db2.gz QWHWGRAWJNPHFV-SFHVURJKSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001717904295 1421700181 /nfs/dbraw/zinc/70/01/81/1421700181.db2.gz IGKZPHMMDYNBHS-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C(C)(C)C ZINC001717965326 1421736979 /nfs/dbraw/zinc/73/69/79/1421736979.db2.gz MZXIYCSPNLRISH-INIZCTEOSA-N 1 3 325.541 3.172 10 0 EGAEHO CCCCCC[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001717978823 1421749537 /nfs/dbraw/zinc/74/95/37/1421749537.db2.gz KGRMMFDTUYJHAH-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001718021629 1421777120 /nfs/dbraw/zinc/77/71/20/1421777120.db2.gz QDGJGCVKICDRMX-ICSRJNTNSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001718021629 1421777123 /nfs/dbraw/zinc/77/71/23/1421777123.db2.gz QDGJGCVKICDRMX-ICSRJNTNSA-N 1 3 349.563 3.290 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414062 1429617328 /nfs/dbraw/zinc/61/73/28/1429617328.db2.gz XDDCEOWGCSQQFP-QUCCMNQESA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414062 1429617330 /nfs/dbraw/zinc/61/73/30/1429617330.db2.gz XDDCEOWGCSQQFP-QUCCMNQESA-N 1 3 335.536 3.188 10 0 EGAEHO CCC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001723640839 1424507547 /nfs/dbraw/zinc/50/75/47/1424507547.db2.gz SRETZTWYTTXQAT-HDICACEKSA-N 1 3 337.552 3.410 10 0 EGAEHO CCC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001723640839 1424507551 /nfs/dbraw/zinc/50/75/51/1424507551.db2.gz SRETZTWYTTXQAT-HDICACEKSA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001723690728 1424532326 /nfs/dbraw/zinc/53/23/26/1424532326.db2.gz JIUDBUXYKSWODM-NRFANRHFSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC001723690728 1424532330 /nfs/dbraw/zinc/53/23/30/1424532330.db2.gz JIUDBUXYKSWODM-NRFANRHFSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720793 1424546511 /nfs/dbraw/zinc/54/65/11/1424546511.db2.gz DYONNEJOGQIZSC-CQQBXOTJSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723720793 1424546516 /nfs/dbraw/zinc/54/65/16/1424546516.db2.gz DYONNEJOGQIZSC-CQQBXOTJSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537842 1429744168 /nfs/dbraw/zinc/74/41/68/1429744168.db2.gz IHUWUCSPKQIUJF-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001724613858 1424957365 /nfs/dbraw/zinc/95/73/65/1424957365.db2.gz OQRBHXDMZMGSNS-DHLCPLLUSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001724613858 1424957369 /nfs/dbraw/zinc/95/73/69/1424957369.db2.gz OQRBHXDMZMGSNS-DHLCPLLUSA-N 1 3 349.563 3.288 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001724657525 1425024318 /nfs/dbraw/zinc/02/43/18/1425024318.db2.gz ZEDCUYIIVVBVPD-IWHMKIPHSA-N 1 3 347.547 3.281 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001724657525 1425024322 /nfs/dbraw/zinc/02/43/22/1425024322.db2.gz ZEDCUYIIVVBVPD-IWHMKIPHSA-N 1 3 347.547 3.281 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001724895613 1425287130 /nfs/dbraw/zinc/28/71/30/1425287130.db2.gz NPQMKCUICGNYFX-TZIWHRDSSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001724895613 1425287131 /nfs/dbraw/zinc/28/71/31/1425287131.db2.gz NPQMKCUICGNYFX-TZIWHRDSSA-N 1 3 349.563 3.364 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1)N(C)C ZINC001725223945 1425792801 /nfs/dbraw/zinc/79/28/01/1425792801.db2.gz QBJAMRYUSGJARE-GOSISDBHSA-N 1 3 335.536 3.236 10 0 EGAEHO CC(C)c1ccc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001725260853 1425891451 /nfs/dbraw/zinc/89/14/51/1425891451.db2.gz TXRBXRBJVHNOLV-KRWDZBQOSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001725649282 1426331802 /nfs/dbraw/zinc/33/18/02/1426331802.db2.gz GKUPWUGQDCDMRE-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC[C@H]1CCC[C@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730222 1426399196 /nfs/dbraw/zinc/39/91/96/1426399196.db2.gz QKGOCSOBOXFIIS-ZWKOTPCHSA-N 1 3 348.535 3.337 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1)C(=O)Cc1c[nH]cn1 ZINC001725730222 1426399202 /nfs/dbraw/zinc/39/92/02/1426399202.db2.gz QKGOCSOBOXFIIS-ZWKOTPCHSA-N 1 3 348.535 3.337 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001731298787 1427241412 /nfs/dbraw/zinc/24/14/12/1427241412.db2.gz ZNPPBYFHHUBCSM-QUCCMNQESA-N 1 3 345.531 3.194 10 0 EGAEHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001731528567 1427517831 /nfs/dbraw/zinc/51/78/31/1427517831.db2.gz BPDISVJXJWKNNO-ICSRJNTNSA-N 1 3 345.531 3.306 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001731559968 1427593700 /nfs/dbraw/zinc/59/37/00/1427593700.db2.gz TZIFLHMLXJSHBK-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001731559968 1427593707 /nfs/dbraw/zinc/59/37/07/1427593707.db2.gz TZIFLHMLXJSHBK-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC001731795205 1427947654 /nfs/dbraw/zinc/94/76/54/1427947654.db2.gz CJJSSWSIWGNFTP-UHFFFAOYSA-N 1 3 345.531 3.232 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC001731795205 1427947659 /nfs/dbraw/zinc/94/76/59/1427947659.db2.gz CJJSSWSIWGNFTP-UHFFFAOYSA-N 1 3 345.531 3.232 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731853936 1428086091 /nfs/dbraw/zinc/08/60/91/1428086091.db2.gz ATXDAELJRBSJFS-WWAPKCSDSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731853936 1428086097 /nfs/dbraw/zinc/08/60/97/1428086097.db2.gz ATXDAELJRBSJFS-WWAPKCSDSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001733596951 1429795825 /nfs/dbraw/zinc/79/58/25/1429795825.db2.gz DJRZSSYODSHWTC-ZCNNSNEGSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001733596951 1429795830 /nfs/dbraw/zinc/79/58/30/1429795830.db2.gz DJRZSSYODSHWTC-ZCNNSNEGSA-N 1 3 349.563 3.361 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001733906922 1437724651 /nfs/dbraw/zinc/72/46/51/1437724651.db2.gz ALBYKEYPWLNVRJ-DOQDTIJOSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001733936730 1437750879 /nfs/dbraw/zinc/75/08/79/1437750879.db2.gz JTOGIKLKFMGUEY-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001733936730 1437750881 /nfs/dbraw/zinc/75/08/81/1437750881.db2.gz JTOGIKLKFMGUEY-OALUTQOASA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001733942942 1437759298 /nfs/dbraw/zinc/75/92/98/1437759298.db2.gz DXRVQECISPHISL-LJQANCHMSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001733942942 1437759299 /nfs/dbraw/zinc/75/92/99/1437759299.db2.gz DXRVQECISPHISL-LJQANCHMSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006573 1437798527 /nfs/dbraw/zinc/79/85/27/1437798527.db2.gz PYXGNZZFICUOLO-IAGOWNOFSA-N 1 3 347.547 3.307 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001734285444 1438013289 /nfs/dbraw/zinc/01/32/89/1438013289.db2.gz SQYYSMLNVDOFKU-AZUAARDMSA-N 1 3 345.531 3.498 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC001734571443 1438165419 /nfs/dbraw/zinc/16/54/19/1438165419.db2.gz URAZKXNDNOILEV-ROUUACIJSA-N 1 3 337.552 3.312 10 0 EGAEHO CCc1cccc(CN2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001750929404 1440112326 /nfs/dbraw/zinc/11/23/26/1440112326.db2.gz DTBBKDOBFJYMFL-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000368450778 168357540 /nfs/dbraw/zinc/35/75/40/168357540.db2.gz LZUNKBKJIHKHRP-LJQANCHMSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](Cc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377715576 169067752 /nfs/dbraw/zinc/06/77/52/169067752.db2.gz KOTCRPJWGSSZGW-VMSMKEMKSA-N 1 3 341.543 3.108 10 0 EGAEHO C[C@H](Cc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377715576 169067755 /nfs/dbraw/zinc/06/77/55/169067755.db2.gz KOTCRPJWGSSZGW-VMSMKEMKSA-N 1 3 341.543 3.108 10 0 EGAEHO CC[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000091739737 218055894 /nfs/dbraw/zinc/05/58/94/218055894.db2.gz UYQXTURJJIBELC-KDOFPFPSSA-N 1 3 331.435 3.343 10 0 EGAEHO CC[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000091739737 218055896 /nfs/dbraw/zinc/05/58/96/218055896.db2.gz UYQXTURJJIBELC-KDOFPFPSSA-N 1 3 331.435 3.343 10 0 EGAEHO Cn1cncc1[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000328622029 258035350 /nfs/dbraw/zinc/03/53/50/258035350.db2.gz AWZJZJKLRFYXFH-PXNSSMCTSA-N 1 3 346.519 3.027 10 0 EGAEHO Cn1cncc1[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622029 258035351 /nfs/dbraw/zinc/03/53/51/258035351.db2.gz AWZJZJKLRFYXFH-PXNSSMCTSA-N 1 3 346.519 3.027 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000347917518 141216206 /nfs/dbraw/zinc/21/62/06/141216206.db2.gz BOWIQSDWJVRISH-HXUWFJFHSA-N 1 3 343.515 3.085 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000347917518 141216207 /nfs/dbraw/zinc/21/62/07/141216207.db2.gz BOWIQSDWJVRISH-HXUWFJFHSA-N 1 3 343.515 3.085 10 0 EGAEHO CCCn1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000310280868 154142296 /nfs/dbraw/zinc/14/22/96/154142296.db2.gz WKKFEZBHTQYPMM-PXNSSMCTSA-N 1 3 326.488 3.293 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CN1Cc1ccccc1 ZINC000354794392 166034078 /nfs/dbraw/zinc/03/40/78/166034078.db2.gz KLOJAUSFJSRIHW-MISYRCLQSA-N 1 3 343.515 3.030 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CN1Cc1ccccc1 ZINC000354794392 166034080 /nfs/dbraw/zinc/03/40/80/166034080.db2.gz KLOJAUSFJSRIHW-MISYRCLQSA-N 1 3 343.515 3.030 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000367638813 168253608 /nfs/dbraw/zinc/25/36/08/168253608.db2.gz QUUXCKAXLLMCPG-XUVXKRRUSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000367638813 168253611 /nfs/dbraw/zinc/25/36/11/168253611.db2.gz QUUXCKAXLLMCPG-XUVXKRRUSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000367638813 168253613 /nfs/dbraw/zinc/25/36/13/168253613.db2.gz QUUXCKAXLLMCPG-XUVXKRRUSA-N 1 3 342.531 3.280 10 0 EGAEHO C[C@H](CSC(C)(C)C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124697566 298872795 /nfs/dbraw/zinc/87/27/95/298872795.db2.gz HPSOYIKXIGBNBS-QGZVFWFLSA-N 1 3 341.609 3.447 10 0 EGAEHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000179412662 265374791 /nfs/dbraw/zinc/37/47/91/265374791.db2.gz XNUSSFHRMNUDNC-XHSDSOJGSA-N 1 3 338.467 3.374 10 0 EGAEHO CN(c1ccccc1CNC[C@@H]1CCC(C)(C)O1)C1CC[NH+](C)CC1 ZINC000189718472 277003032 /nfs/dbraw/zinc/00/30/32/277003032.db2.gz IPFJWWMKKYQQPO-IBGZPJMESA-N 1 3 345.531 3.264 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@H](C)C1 ZINC000266073757 279397425 /nfs/dbraw/zinc/39/74/25/279397425.db2.gz KXJDVPNLPQGNPC-YLJYHZDGSA-N 1 3 343.515 3.085 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@H](C)C1 ZINC000266073757 279397428 /nfs/dbraw/zinc/39/74/28/279397428.db2.gz KXJDVPNLPQGNPC-YLJYHZDGSA-N 1 3 343.515 3.085 10 0 EGAEHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414296324 309071117 /nfs/dbraw/zinc/07/11/17/309071117.db2.gz DWSJXTDWBHVMGL-RBUKOAKNSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397554943 308904467 /nfs/dbraw/zinc/90/44/67/308904467.db2.gz KVVSYUPLVDGHIU-HKUYNNGSSA-N 1 3 330.516 3.428 10 0 EGAEHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1F ZINC000397514327 308904472 /nfs/dbraw/zinc/90/44/72/308904472.db2.gz QUFDCRWTNMETLE-UHFFFAOYSA-N 1 3 342.458 3.251 10 0 EGAEHO OC1(CNCc2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397575256 308904572 /nfs/dbraw/zinc/90/45/72/308904572.db2.gz BTDOZDQRMUCRJW-UHFFFAOYSA-N 1 3 346.421 3.082 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@H]1CCC[NH2+]C1 ZINC000414865215 309106316 /nfs/dbraw/zinc/10/63/16/309106316.db2.gz ZCMQZKPRDJGKJT-RYUDHWBXSA-N 1 3 329.257 3.108 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)NC[C@H]1CCC[NH2+]C1 ZINC000414865211 309106320 /nfs/dbraw/zinc/10/63/20/309106320.db2.gz ZCMQZKPRDJGKJT-NEPJUHHUSA-N 1 3 329.257 3.108 10 0 EGAEHO C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)C[C@@]1(C)C[NH3+] ZINC000415052473 309116792 /nfs/dbraw/zinc/11/67/92/309116792.db2.gz HQPSMZUDCHDTCK-OXQOHEQNSA-N 1 3 325.456 3.077 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@]1(C)CN ZINC000415052473 309116793 /nfs/dbraw/zinc/11/67/93/309116793.db2.gz HQPSMZUDCHDTCK-OXQOHEQNSA-N 1 3 325.456 3.077 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@]1(C)CN ZINC000415052473 309116794 /nfs/dbraw/zinc/11/67/94/309116794.db2.gz HQPSMZUDCHDTCK-OXQOHEQNSA-N 1 3 325.456 3.077 10 0 EGAEHO CN(C)Cc1cc(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)ccc1F ZINC000415111590 309121031 /nfs/dbraw/zinc/12/10/31/309121031.db2.gz RGHBYRORLXEUFG-TZIWHRDSSA-N 1 3 341.474 3.470 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccc1F ZINC000415111590 309121032 /nfs/dbraw/zinc/12/10/32/309121032.db2.gz RGHBYRORLXEUFG-TZIWHRDSSA-N 1 3 341.474 3.470 10 0 EGAEHO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CNC2)CC(C)C ZINC000416015703 309154748 /nfs/dbraw/zinc/15/47/48/309154748.db2.gz UFJMZHOQVXQMDO-GOSISDBHSA-N 1 3 332.492 3.168 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)nc2c1 ZINC000422699060 309363602 /nfs/dbraw/zinc/36/36/02/309363602.db2.gz CIHSOCSFPCSADJ-GVDBMIGSSA-N 1 3 326.488 3.396 10 0 EGAEHO c1ccc2[nH]c(CCCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc2c1 ZINC000422699060 309363603 /nfs/dbraw/zinc/36/36/03/309363603.db2.gz CIHSOCSFPCSADJ-GVDBMIGSSA-N 1 3 326.488 3.396 10 0 EGAEHO COc1ccc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422753839 309366701 /nfs/dbraw/zinc/36/67/01/309366701.db2.gz FERRIGFIZCBKMA-GUDVDZBRSA-N 1 3 332.488 3.147 10 0 EGAEHO CC[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1ccccc1F ZINC000422814995 309369909 /nfs/dbraw/zinc/36/99/09/309369909.db2.gz ALNVIBXXFSTHSU-XJKSGUPXSA-N 1 3 331.435 3.496 10 0 EGAEHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866357 309372659 /nfs/dbraw/zinc/37/26/59/309372659.db2.gz QGFZBZJQSGZPCZ-PJSAGSTRSA-N 1 3 329.394 3.278 10 0 EGAEHO COc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c(Cl)c1 ZINC000422889198 309374397 /nfs/dbraw/zinc/37/43/97/309374397.db2.gz OYCRYQGPNPUKKW-LBPRGKRZSA-N 1 3 333.863 3.404 10 0 EGAEHO CC(C)CC[C@](C)(O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973009 309379181 /nfs/dbraw/zinc/37/91/81/309379181.db2.gz AWTHRVZFZJZNQZ-YSIASYRMSA-N 1 3 332.488 3.019 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423134300 309387622 /nfs/dbraw/zinc/38/76/22/309387622.db2.gz LTXNZGYRBHDTBA-ZNMIVQPWSA-N 1 3 327.394 3.153 10 0 EGAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOCC1CCCC1 ZINC000423157367 309388721 /nfs/dbraw/zinc/38/87/21/309388721.db2.gz ARHULHGZDDFTQJ-AZUAARDMSA-N 1 3 330.472 3.039 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC[C@H](C)C2)CC1 ZINC000449084873 310035840 /nfs/dbraw/zinc/03/58/40/310035840.db2.gz ZKDAETUJLGYCSG-PMACEKPBSA-N 1 3 343.559 3.404 10 0 EGAEHO CCN(CC)C[C@@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449132320 310039223 /nfs/dbraw/zinc/03/92/23/310039223.db2.gz UDCHEQRPIOLXRT-RTBURBONSA-N 1 3 331.548 3.402 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCc2cscn2)CC1 ZINC000449170371 310042055 /nfs/dbraw/zinc/04/20/55/310042055.db2.gz QPPAEFFOXOVHGN-INIZCTEOSA-N 1 3 329.513 3.371 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCO[C@H]2CCOC2)CC1 ZINC000449189683 310043292 /nfs/dbraw/zinc/04/32/92/310043292.db2.gz MSMHKKXKXJGQET-SFHVURJKSA-N 1 3 340.552 3.451 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124898 310259527 /nfs/dbraw/zinc/25/95/27/310259527.db2.gz ITXZILBWDWWMSM-AEFFLSMTSA-N 1 3 344.503 3.095 10 0 EGAEHO Cc1cc(N2CC[NH+]3CCC2CC3)c2cc(OC(F)F)ccc2n1 ZINC000468596693 310691131 /nfs/dbraw/zinc/69/11/31/310691131.db2.gz LXJYYQIGTXXACH-UHFFFAOYSA-N 1 3 333.382 3.429 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000514097871 312225069 /nfs/dbraw/zinc/22/50/69/312225069.db2.gz BXEVWUZBRLRTNG-OQIJWPOYSA-N 1 3 335.923 3.405 10 0 EGAEHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](N)C3CCC3)ccc21 ZINC000516567422 312330060 /nfs/dbraw/zinc/33/00/60/312330060.db2.gz FCTXPJMGUCZORZ-IBGZPJMESA-N 1 3 342.487 3.049 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535777861 314073324 /nfs/dbraw/zinc/07/33/24/314073324.db2.gz ZSNGISCTBSTNQE-AWEZNQCLSA-N 1 3 327.875 3.157 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC000563715833 316060710 /nfs/dbraw/zinc/06/07/10/316060710.db2.gz YNBYZFMNZNFEJW-HXUWFJFHSA-N 1 3 345.531 3.218 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC000563715833 316060714 /nfs/dbraw/zinc/06/07/14/316060714.db2.gz YNBYZFMNZNFEJW-HXUWFJFHSA-N 1 3 345.531 3.218 10 0 EGAEHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000173364272 323294836 /nfs/dbraw/zinc/29/48/36/323294836.db2.gz FNGAJWYJNLVHEV-OCCSQVGLSA-N 1 3 328.403 3.117 10 0 EGAEHO CN1C(=O)C[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623479924 460571878 /nfs/dbraw/zinc/57/18/78/460571878.db2.gz GNNOUEVRSGSEJZ-BQFCYCMXSA-N 1 3 349.906 3.074 10 0 EGAEHO O[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000077221226 454077969 /nfs/dbraw/zinc/07/79/69/454077969.db2.gz QCIGGWJZTMHTBA-FQEVSTJZSA-N 1 3 346.421 3.252 10 0 EGAEHO C[C@H](CCc1ccccc1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000069777290 454143594 /nfs/dbraw/zinc/14/35/94/454143594.db2.gz FZLQPGIORUSOGN-CTNGQTDRSA-N 1 3 329.532 3.110 10 0 EGAEHO C[C@H](CCc1ccccc1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000069777290 454143596 /nfs/dbraw/zinc/14/35/96/454143596.db2.gz FZLQPGIORUSOGN-CTNGQTDRSA-N 1 3 329.532 3.110 10 0 EGAEHO CCc1cc(N2CCCN(Cc3cnn(C)c3)CC2)c2ccccc2[nH+]1 ZINC000124759415 454767464 /nfs/dbraw/zinc/76/74/64/454767464.db2.gz QORMXHMPDMXTTB-UHFFFAOYSA-N 1 3 349.482 3.243 10 0 EGAEHO CCCN1CC[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000151106939 454938257 /nfs/dbraw/zinc/93/82/57/454938257.db2.gz ALEJOWHYCYIPPB-HXUWFJFHSA-N 1 3 329.532 3.015 10 0 EGAEHO Fc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1Br ZINC000127395514 454960743 /nfs/dbraw/zinc/96/07/43/454960743.db2.gz LJLJMJVBKQZDBN-LBPRGKRZSA-N 1 3 327.241 3.162 10 0 EGAEHO O[C@@H](CNCC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180215400 455148832 /nfs/dbraw/zinc/14/88/32/455148832.db2.gz FPNXLQQWMZIYCZ-NRFANRHFSA-N 1 3 338.495 3.255 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000245932543 455402990 /nfs/dbraw/zinc/40/29/90/455402990.db2.gz IMVRDFSSWYOXHY-VQTJNVASSA-N 1 3 329.532 3.171 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000245932543 455402996 /nfs/dbraw/zinc/40/29/96/455402996.db2.gz IMVRDFSSWYOXHY-VQTJNVASSA-N 1 3 329.532 3.171 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1 ZINC000266073749 455423065 /nfs/dbraw/zinc/42/30/65/455423065.db2.gz KXJDVPNLPQGNPC-PXNSSMCTSA-N 1 3 343.515 3.085 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1 ZINC000266073749 455423071 /nfs/dbraw/zinc/42/30/71/455423071.db2.gz KXJDVPNLPQGNPC-PXNSSMCTSA-N 1 3 343.515 3.085 10 0 EGAEHO CC[N@@H+]1CC[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000247113660 455560299 /nfs/dbraw/zinc/56/02/99/455560299.db2.gz QSOBNYMEHQYODC-KBXCAEBGSA-N 1 3 330.451 3.140 10 0 EGAEHO CC[N@H+]1CC[C@@H](NCc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000247113660 455560303 /nfs/dbraw/zinc/56/03/03/455560303.db2.gz QSOBNYMEHQYODC-KBXCAEBGSA-N 1 3 330.451 3.140 10 0 EGAEHO CCN1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)[C@@H](C)C1 ZINC000247113660 455560307 /nfs/dbraw/zinc/56/03/07/455560307.db2.gz QSOBNYMEHQYODC-KBXCAEBGSA-N 1 3 330.451 3.140 10 0 EGAEHO CN1CCC[C@@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)CC[C@H]21 ZINC000248130880 455686153 /nfs/dbraw/zinc/68/61/53/455686153.db2.gz OKIJDDKJXPFNTK-QZTJIDSGSA-N 1 3 340.471 3.085 10 0 EGAEHO CN1CCC[C@@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)CC[C@H]21 ZINC000248130880 455686155 /nfs/dbraw/zinc/68/61/55/455686155.db2.gz OKIJDDKJXPFNTK-QZTJIDSGSA-N 1 3 340.471 3.085 10 0 EGAEHO FC(F)(F)COCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262302952 456022660 /nfs/dbraw/zinc/02/26/60/456022660.db2.gz BBDKIYVLOJGYLP-AWEZNQCLSA-N 1 3 348.434 3.271 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)[C@@H](C)CC)CC1 ZINC000236783591 456184090 /nfs/dbraw/zinc/18/40/90/456184090.db2.gz AEYBAYWNRROVCP-GHTZIAJQSA-N 1 3 347.547 3.105 10 0 EGAEHO CCOc1c(OC)cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1OC ZINC000353494454 456713127 /nfs/dbraw/zinc/71/31/27/456713127.db2.gz CTEXHFGDJFMKMP-GVDBMIGSSA-N 1 3 348.487 3.065 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000348758090 456844077 /nfs/dbraw/zinc/84/40/77/456844077.db2.gz YHQFMRMNGBADGN-GIESBBMHSA-N 1 3 335.536 3.066 10 0 EGAEHO O[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)CN1CCCC1 ZINC000341662856 456889446 /nfs/dbraw/zinc/88/94/46/456889446.db2.gz XVQDCRQPEVVMIH-NHCUHLMSSA-N 1 3 342.458 3.156 10 0 EGAEHO OC1(C[NH2+]Cc2ccc(F)c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000397579337 457488883 /nfs/dbraw/zinc/48/88/83/457488883.db2.gz DYIQFCXESGBPQN-UHFFFAOYSA-N 1 3 346.421 3.082 10 0 EGAEHO C[C@H]1CCCN(CCCc2nc(-c3cccs3)no2)[C@@H]1CC[NH3+] ZINC000404440995 457544330 /nfs/dbraw/zinc/54/43/30/457544330.db2.gz URYSSDKSTNDVSL-UONOGXRCSA-N 1 3 334.489 3.180 10 0 EGAEHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300488 457920302 /nfs/dbraw/zinc/92/03/02/457920302.db2.gz NVHPZGZCUVNRSC-IAOVAPTHSA-N 1 3 334.529 3.265 10 0 EGAEHO CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000462789071 458653661 /nfs/dbraw/zinc/65/36/61/458653661.db2.gz DJXWJSHTMBOSOK-MRXNPFEDSA-N 1 3 330.472 3.216 10 0 EGAEHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441349425 458925506 /nfs/dbraw/zinc/92/55/06/458925506.db2.gz SUAFVXOVEJTQCG-DTQAZKPQSA-N 1 3 335.923 3.359 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@@H](C)[C@H]3C)CC2)CC1 ZINC000520607197 459077223 /nfs/dbraw/zinc/07/72/23/459077223.db2.gz BLJXYCLSLPCIHC-KZNAEPCWSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCN(CC)C[C@@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000521016420 459112886 /nfs/dbraw/zinc/11/28/86/459112886.db2.gz GOWDPFYEPSABFV-LJQANCHMSA-N 1 3 331.548 3.404 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000558652248 459189703 /nfs/dbraw/zinc/18/97/03/459189703.db2.gz HZVKPPRNWQEADA-ZWKOTPCHSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000558652248 459189708 /nfs/dbraw/zinc/18/97/08/459189708.db2.gz HZVKPPRNWQEADA-ZWKOTPCHSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)CN1CCCC1 ZINC000481325074 459245231 /nfs/dbraw/zinc/24/52/31/459245231.db2.gz SKUPPPFYJGWPMN-SFHLNBCPSA-N 1 3 329.532 3.219 10 0 EGAEHO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000560539362 459369418 /nfs/dbraw/zinc/36/94/18/459369418.db2.gz IKTRBRWSPJODBJ-XUVXKRRUSA-N 1 3 346.515 3.373 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000561195340 459429150 /nfs/dbraw/zinc/42/91/50/459429150.db2.gz DLZIDNXUHLBPPX-GOSISDBHSA-N 1 3 343.515 3.021 10 0 EGAEHO CN(C)[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380939 459528130 /nfs/dbraw/zinc/52/81/30/459528130.db2.gz NTZIASFJKJQXDH-UXHICEINSA-N 1 3 327.516 3.113 10 0 EGAEHO CN(c1ccccc1CNCCOCC1CCC1)C1CC[NH+](C)CC1 ZINC000584265678 459693620 /nfs/dbraw/zinc/69/36/20/459693620.db2.gz IBMFDPIGZHZHNQ-UHFFFAOYSA-N 1 3 345.531 3.123 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC4(CC4)CC3)CC2)CC1 ZINC000575758757 459998329 /nfs/dbraw/zinc/99/83/29/459998329.db2.gz INJSRZCCUHAZLF-UHFFFAOYSA-N 1 3 347.547 3.022 10 0 EGAEHO CN1CC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CC1(C)C ZINC000623356539 460507071 /nfs/dbraw/zinc/50/70/71/460507071.db2.gz WEKNNTKZJZXWHO-HXUWFJFHSA-N 1 3 329.532 3.156 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623875128 460756767 /nfs/dbraw/zinc/75/67/67/460756767.db2.gz YNSXLPSWUVHHBC-TZIWHRDSSA-N 1 3 345.531 3.136 10 0 EGAEHO Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623928879 460783607 /nfs/dbraw/zinc/78/36/07/460783607.db2.gz DYKCVUDITIQMNR-KRWDZBQOSA-N 1 3 330.520 3.032 10 0 EGAEHO Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623928879 460783614 /nfs/dbraw/zinc/78/36/14/460783614.db2.gz DYKCVUDITIQMNR-KRWDZBQOSA-N 1 3 330.520 3.032 10 0 EGAEHO Fc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)cc1Br ZINC000629531646 460797910 /nfs/dbraw/zinc/79/79/10/460797910.db2.gz SPYBTMNLGWIQLS-JFGNBEQYSA-N 1 3 345.231 3.205 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000629528822 460797944 /nfs/dbraw/zinc/79/79/44/460797944.db2.gz KKBBHKOCTABIAN-CYBMUJFWSA-N 1 3 349.500 3.014 10 0 EGAEHO Cc1cccc([C@H]([NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)C(C)C)c1 ZINC000629574264 460812277 /nfs/dbraw/zinc/81/22/77/460812277.db2.gz DLLGWIFOIIQXDP-PCCBWWKXSA-N 1 3 326.484 3.213 10 0 EGAEHO Cc1cccc([C@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)C)c1 ZINC000629574264 460812284 /nfs/dbraw/zinc/81/22/84/460812284.db2.gz DLLGWIFOIIQXDP-PCCBWWKXSA-N 1 3 326.484 3.213 10 0 EGAEHO CCCCNC(=O)C1(NCc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000662258841 461147470 /nfs/dbraw/zinc/14/74/70/461147470.db2.gz LZZWKZWQZKYGNI-UHFFFAOYSA-N 1 3 343.515 3.041 10 0 EGAEHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCO[C@H]1CC1(F)F ZINC000662270845 461158272 /nfs/dbraw/zinc/15/82/72/461158272.db2.gz PVQWSXLYDSSHJS-KSZLIROESA-N 1 3 338.442 3.083 10 0 EGAEHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCO[C@@H]1CC1(F)F ZINC000662270846 461158849 /nfs/dbraw/zinc/15/88/49/461158849.db2.gz PVQWSXLYDSSHJS-OKZBNKHCSA-N 1 3 338.442 3.083 10 0 EGAEHO C[C@@H]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662313706 461186552 /nfs/dbraw/zinc/18/65/52/461186552.db2.gz XQPUQGBXLUBXJV-LSTHTHJFSA-N 1 3 343.515 3.020 10 0 EGAEHO C[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000659292978 461279332 /nfs/dbraw/zinc/27/93/32/461279332.db2.gz SZVTVQFFBLQCBU-GJYPPUQNSA-N 1 3 343.515 3.058 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)C1 ZINC000668489099 461303567 /nfs/dbraw/zinc/30/35/67/461303567.db2.gz BRZUUEIUTPJNOE-BHDDXSALSA-N 1 3 336.479 3.147 10 0 EGAEHO CC(C)[C@H](O)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000668686919 461383217 /nfs/dbraw/zinc/38/32/17/461383217.db2.gz AMKQYQXXGRXPNC-RTWAWAEBSA-N 1 3 339.483 3.398 10 0 EGAEHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C)c2OC)[C@H](C)C1 ZINC000655810401 461467543 /nfs/dbraw/zinc/46/75/43/461467543.db2.gz KNUOXSAIUMNERE-IEBWSBKVSA-N 1 3 334.504 3.230 10 0 EGAEHO CN(CCN1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)Cc1ccccc1 ZINC000659913411 461494200 /nfs/dbraw/zinc/49/42/00/461494200.db2.gz YZDSWVBMHDFASF-VSKRKVRLSA-N 1 3 341.543 3.172 10 0 EGAEHO OCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647228985 461575786 /nfs/dbraw/zinc/57/57/86/461575786.db2.gz HDJKMOTWNGKWGN-NRFANRHFSA-N 1 3 336.479 3.466 10 0 EGAEHO OCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647228985 461575796 /nfs/dbraw/zinc/57/57/96/461575796.db2.gz HDJKMOTWNGKWGN-NRFANRHFSA-N 1 3 336.479 3.466 10 0 EGAEHO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369054 461595053 /nfs/dbraw/zinc/59/50/53/461595053.db2.gz VZAGIQZZZZJICZ-OALUTQOASA-N 1 3 330.516 3.285 10 0 EGAEHO OC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CCCC1 ZINC000663368864 461595568 /nfs/dbraw/zinc/59/55/68/461595568.db2.gz QADWBAGQAXXAQR-LJQANCHMSA-N 1 3 328.500 3.183 10 0 EGAEHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000656200593 461646190 /nfs/dbraw/zinc/64/61/90/461646190.db2.gz AOVUSFVJGCGWJB-ONCXSQPRSA-N 1 3 330.472 3.180 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000663502121 461674725 /nfs/dbraw/zinc/67/47/25/461674725.db2.gz FWZWSPKJWJJUQB-IAQYHMDHSA-N 1 3 331.273 3.482 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@H](NCCc2noc3ccccc23)[C@@H](C)C1 ZINC000653619964 461765594 /nfs/dbraw/zinc/76/55/94/461765594.db2.gz JYGILSFFHTXCJA-WMZOPIPTSA-N 1 3 345.487 3.097 10 0 EGAEHO CCOCCC[N@H+]1CC[C@H](NCCc2noc3ccccc23)[C@@H](C)C1 ZINC000653619964 461765600 /nfs/dbraw/zinc/76/56/00/461765600.db2.gz JYGILSFFHTXCJA-WMZOPIPTSA-N 1 3 345.487 3.097 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706900 461899039 /nfs/dbraw/zinc/89/90/39/461899039.db2.gz VFCGRZNIPRYJGM-ZVDOUQERSA-N 1 3 344.499 3.194 10 0 EGAEHO CCO[C@@H]1CN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000650714045 461907088 /nfs/dbraw/zinc/90/70/88/461907088.db2.gz OQRLBCGRYMFXOO-XNRPHZJLSA-N 1 3 330.394 3.105 10 0 EGAEHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2CC2CCCC2)CC1 ZINC000653892239 461921569 /nfs/dbraw/zinc/92/15/69/461921569.db2.gz DIIFNVWCWQKDRW-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO COC[C@@H](CCC[NH3+])NC1(c2ccccc2Br)CCC1 ZINC000650741440 461928532 /nfs/dbraw/zinc/92/85/32/461928532.db2.gz DPXQRWBMVMLHGA-CYBMUJFWSA-N 1 3 341.293 3.172 10 0 EGAEHO CC(C)[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC(C)CC1 ZINC000657309996 462034225 /nfs/dbraw/zinc/03/42/25/462034225.db2.gz VKMVHDGMXMNWQX-FQEVSTJZSA-N 1 3 341.503 3.113 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2c(C3CCC3)cnn2C)[C@H](c2ccccc2)C1 ZINC000657501445 462157745 /nfs/dbraw/zinc/15/77/45/462157745.db2.gz YFFHIPPUSKEKFZ-QUCCMNQESA-N 1 3 338.499 3.123 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)c(F)c3)cc2)C1 ZINC000657594931 462197301 /nfs/dbraw/zinc/19/73/01/462197301.db2.gz LHODFVIVPDKJSA-KRWDZBQOSA-N 1 3 348.849 3.336 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)c(F)c3)cc2)C1 ZINC000657594931 462197306 /nfs/dbraw/zinc/19/73/06/462197306.db2.gz LHODFVIVPDKJSA-KRWDZBQOSA-N 1 3 348.849 3.336 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000657597022 462199850 /nfs/dbraw/zinc/19/98/50/462199850.db2.gz QTVQONXEHDBIIN-HRAATJIYSA-N 1 3 342.458 3.286 10 0 EGAEHO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648739617 462254737 /nfs/dbraw/zinc/25/47/37/462254737.db2.gz GJSSLVRUQFUSMX-ICSRJNTNSA-N 1 3 334.504 3.168 10 0 EGAEHO C[C@@H](NC1CC[NH+](C2CCN(C)CC2)CC1)c1cc2cnccc2o1 ZINC000657864069 462301745 /nfs/dbraw/zinc/30/17/45/462301745.db2.gz NRGQNHYQGUKRRL-OAHLLOKOSA-N 1 3 342.487 3.037 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C(C)(C)C(F)F ZINC000657969946 462332195 /nfs/dbraw/zinc/33/21/95/462332195.db2.gz WUKRRAHMMUXDDD-CZUORRHYSA-N 1 3 326.431 3.023 10 0 EGAEHO CC[C@H](COCC1CC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236658 462363637 /nfs/dbraw/zinc/36/36/37/462363637.db2.gz RQCNXWVSAIFMEH-POAQFYNOSA-N 1 3 330.472 3.037 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC000658071095 462367142 /nfs/dbraw/zinc/36/71/42/462367142.db2.gz UEPDYYXCOYRHCS-CQSZACIVSA-N 1 3 337.895 3.277 10 0 EGAEHO CO[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCOC1 ZINC000658071958 462369092 /nfs/dbraw/zinc/36/90/92/462369092.db2.gz LBMKQRKXUSGCRU-WMZOPIPTSA-N 1 3 340.552 3.307 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)COc1c(F)cccc1F ZINC000665261785 462375210 /nfs/dbraw/zinc/37/52/10/462375210.db2.gz LHTLMCJTEGOMNL-NWDGAFQWSA-N 1 3 335.398 3.245 10 0 EGAEHO COC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000658097547 462383732 /nfs/dbraw/zinc/38/37/32/462383732.db2.gz UOAIFPBPSAOARD-UXPWSPDFSA-N 1 3 338.536 3.061 10 0 EGAEHO COC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000658097547 462383738 /nfs/dbraw/zinc/38/37/38/462383738.db2.gz UOAIFPBPSAOARD-UXPWSPDFSA-N 1 3 338.536 3.061 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)C1 ZINC000658140611 462404066 /nfs/dbraw/zinc/40/40/66/462404066.db2.gz VISKHWQJGZATFB-PMACEKPBSA-N 1 3 328.500 3.456 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658141775 462404950 /nfs/dbraw/zinc/40/49/50/462404950.db2.gz UOENIQXOBPJIJI-QAPCUYQASA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658141775 462404957 /nfs/dbraw/zinc/40/49/57/462404957.db2.gz UOENIQXOBPJIJI-QAPCUYQASA-N 1 3 330.497 3.474 10 0 EGAEHO OCC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000652037251 462412650 /nfs/dbraw/zinc/41/26/50/462412650.db2.gz KKZALUVHEUCRBT-NJDAHSKKSA-N 1 3 342.527 3.429 10 0 EGAEHO Cc1nccn1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000164600510 534768056 /nfs/dbraw/zinc/76/80/56/534768056.db2.gz UKSIYZGVXDULKG-RXVVDRJESA-N 1 3 340.515 3.472 10 0 EGAEHO CCC[NH+]1CCC(N[C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675923000 549005342 /nfs/dbraw/zinc/00/53/42/549005342.db2.gz QYKJNMJLNORVRY-LJQANCHMSA-N 1 3 326.488 3.168 10 0 EGAEHO CCCN1CCC([NH2+][C@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000675923000 549005348 /nfs/dbraw/zinc/00/53/48/549005348.db2.gz QYKJNMJLNORVRY-LJQANCHMSA-N 1 3 326.488 3.168 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN[C@]1(C)CCCc2ccccc21 ZINC000676704090 549131430 /nfs/dbraw/zinc/13/14/30/549131430.db2.gz MSYLSLTWPXGGFI-RBBKRZOGSA-N 1 3 338.495 3.321 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@@H](O)CN[C@]1(C)CCCc2ccccc21 ZINC000676704090 549131436 /nfs/dbraw/zinc/13/14/36/549131436.db2.gz MSYLSLTWPXGGFI-RBBKRZOGSA-N 1 3 338.495 3.321 10 0 EGAEHO Cc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)c(C)n1 ZINC000678428685 549490407 /nfs/dbraw/zinc/49/04/07/549490407.db2.gz RUIJEEMCSQSRGO-SFHVURJKSA-N 1 3 344.547 3.299 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCN(CC4CC4)C2)C3)cc1 ZINC000679393106 549703846 /nfs/dbraw/zinc/70/38/46/549703846.db2.gz FSHQNGQGCCKHEU-YSFYHYPLSA-N 1 3 339.527 3.256 10 0 EGAEHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872032537 1296681581 /nfs/dbraw/zinc/68/15/81/1296681581.db2.gz VXYGVRMECRZNGJ-NJYVYQBISA-N 1 3 330.516 3.346 10 0 EGAEHO COc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379633419 1297534897 /nfs/dbraw/zinc/53/48/97/1297534897.db2.gz UJPHYPFJMYMGDM-WMZOPIPTSA-N 1 3 325.456 3.233 10 0 EGAEHO CC(C)CN1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000393910173 1297673633 /nfs/dbraw/zinc/67/36/33/1297673633.db2.gz MQLZKWWJYVVEEZ-UHFFFAOYSA-N 1 3 341.540 3.342 10 0 EGAEHO OC1(C[NH+]2CC(c3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC000397552442 1297700866 /nfs/dbraw/zinc/70/08/66/1297700866.db2.gz YIKQXZTXNKLEEU-UHFFFAOYSA-N 1 3 336.479 3.113 10 0 EGAEHO c1cc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)sn1 ZINC000883247232 1302331562 /nfs/dbraw/zinc/33/15/62/1302331562.db2.gz CRHDBLCDCNEFOF-BCDXTJNWSA-N 1 3 327.497 3.471 10 0 EGAEHO c1cc(CCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)sn1 ZINC000883247232 1302331575 /nfs/dbraw/zinc/33/15/75/1302331575.db2.gz CRHDBLCDCNEFOF-BCDXTJNWSA-N 1 3 327.497 3.471 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140836 1328693395 /nfs/dbraw/zinc/69/33/95/1328693395.db2.gz IIIQDNVECDGJIN-CABCVRRESA-N 1 3 331.287 3.489 10 0 EGAEHO C[C@@H](NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376103 1322742372 /nfs/dbraw/zinc/74/23/72/1322742372.db2.gz HVOPOSKTDBULLJ-ZJUUUORDSA-N 1 3 333.234 3.162 10 0 EGAEHO CCc1nc(C(C)C)ccc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447437 1322753714 /nfs/dbraw/zinc/75/37/14/1322753714.db2.gz SQVZPHKGSJWTCJ-QGZVFWFLSA-N 1 3 331.504 3.097 10 0 EGAEHO C[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923496057 1322761925 /nfs/dbraw/zinc/76/19/25/1322761925.db2.gz ZKJGSZQBZWJVGS-CHWSQXEVSA-N 1 3 348.288 3.414 10 0 EGAEHO COC(=O)c1sc2ccccc2c1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500546 1322762853 /nfs/dbraw/zinc/76/28/53/1322762853.db2.gz VUWVYYFWGKVMNC-OLZOCXBDSA-N 1 3 332.469 3.105 10 0 EGAEHO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504118 1322764678 /nfs/dbraw/zinc/76/46/78/1322764678.db2.gz NYKYFQJTIJZBJF-VYDXJSESSA-N 1 3 325.456 3.084 10 0 EGAEHO COc1cccc([C@H](O)C2CC[NH+](CCCN3CCCCC3)CC2)c1 ZINC000860133382 1329153387 /nfs/dbraw/zinc/15/33/87/1329153387.db2.gz AFUPXMRIWUPJOH-OAQYLSRUSA-N 1 3 346.515 3.317 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2nccc3Cl)C[C@@H](C)O1 ZINC000925438457 1325150323 /nfs/dbraw/zinc/15/03/23/1325150323.db2.gz AXVBKEQQZVZBIR-CKEIUWERSA-N 1 3 337.895 3.201 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C[C@@H](C)O1 ZINC000925441274 1325151571 /nfs/dbraw/zinc/15/15/71/1325151571.db2.gz YZZKSLOIQDNUST-ANTGDGSKSA-N 1 3 345.531 3.272 10 0 EGAEHO COc1ccc(OC)c(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925504685 1325182460 /nfs/dbraw/zinc/18/24/60/1325182460.db2.gz LRWCPMNCCUGGSN-OALUTQOASA-N 1 3 332.488 3.004 10 0 EGAEHO COc1cc([C@H](C)N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553816 1325205516 /nfs/dbraw/zinc/20/55/16/1325205516.db2.gz SAIZBCKVKCNJIJ-CFVMTHIKSA-N 1 3 336.476 3.269 10 0 EGAEHO c1cc(CN2CCSCC2)cc(N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925604405 1325229023 /nfs/dbraw/zinc/22/90/23/1325229023.db2.gz YIPDZPIYWPTLIJ-GOSISDBHSA-N 1 3 331.529 3.322 10 0 EGAEHO OC[C@]1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C[C@H]1c1ccc(F)cc1 ZINC000925651297 1325247041 /nfs/dbraw/zinc/24/70/41/1325247041.db2.gz ABSPPFRLVHKNJV-UWHLTILDSA-N 1 3 346.490 3.050 10 0 EGAEHO OC[C@]1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C[C@H]1c1ccc(F)cc1 ZINC000925651297 1325247048 /nfs/dbraw/zinc/24/70/48/1325247048.db2.gz ABSPPFRLVHKNJV-UWHLTILDSA-N 1 3 346.490 3.050 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000925784469 1325300828 /nfs/dbraw/zinc/30/08/28/1325300828.db2.gz RZWDWMQIAWGGTK-NVXWUHKLSA-N 1 3 336.426 3.223 10 0 EGAEHO [NH3+]C1CCN(CCN[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000925815446 1325313496 /nfs/dbraw/zinc/31/34/96/1325313496.db2.gz QZQLYYUTIPUVRE-FQEVSTJZSA-N 1 3 343.902 3.442 10 0 EGAEHO C[C@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nc2ccccc2n1C ZINC000925886759 1325343587 /nfs/dbraw/zinc/34/35/87/1325343587.db2.gz KUCRDNNHUQTFFL-HZUJVAHNSA-N 1 3 334.467 3.283 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866230921 1330081394 /nfs/dbraw/zinc/08/13/94/1330081394.db2.gz IJDBJRQKDPDPKX-OXJNMPFZSA-N 1 3 333.495 3.066 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2cncc(C)c2)cc1 ZINC000866719710 1330144518 /nfs/dbraw/zinc/14/45/18/1330144518.db2.gz BWXXHSLNUAMZDD-QUCCMNQESA-N 1 3 325.456 3.278 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001323638649 1387414470 /nfs/dbraw/zinc/41/44/70/1387414470.db2.gz UBHZNGJYJKHOPM-LJQANCHMSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001323638649 1387414471 /nfs/dbraw/zinc/41/44/71/1387414471.db2.gz UBHZNGJYJKHOPM-LJQANCHMSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001323813941 1387466120 /nfs/dbraw/zinc/46/61/20/1387466120.db2.gz VTIPOYRVQSREGN-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001323813941 1387466122 /nfs/dbraw/zinc/46/61/22/1387466122.db2.gz VTIPOYRVQSREGN-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001323871835 1387484450 /nfs/dbraw/zinc/48/44/50/1387484450.db2.gz GCLZTXAQOJVFBE-HRSGFYEVSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001323871835 1387484453 /nfs/dbraw/zinc/48/44/53/1387484453.db2.gz GCLZTXAQOJVFBE-HRSGFYEVSA-N 1 3 347.547 3.142 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)c1 ZINC001324273695 1387577525 /nfs/dbraw/zinc/57/75/25/1387577525.db2.gz ODWQOOZKXKANLV-IBGZPJMESA-N 1 3 345.531 3.379 10 0 EGAEHO c1c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001202227843 1369718432 /nfs/dbraw/zinc/71/84/32/1369718432.db2.gz PDCLIUYAAWDOOT-SFHVURJKSA-N 1 3 347.466 3.083 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1)N(C)C ZINC001266223688 1377235736 /nfs/dbraw/zinc/23/57/36/1377235736.db2.gz VJVUCBWNXIHMMO-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1)N(C)C ZINC001266223688 1377235740 /nfs/dbraw/zinc/23/57/40/1377235740.db2.gz VJVUCBWNXIHMMO-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266233495 1377239769 /nfs/dbraw/zinc/23/97/69/1377239769.db2.gz LRWPQMUVBHEFBU-DKFQHHCZSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266233495 1377239772 /nfs/dbraw/zinc/23/97/72/1377239772.db2.gz LRWPQMUVBHEFBU-DKFQHHCZSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC[N@H+](CCNC(=O)CN(C)C(C)C)[C@@H]1CCCc2ccccc21 ZINC001266579562 1377337010 /nfs/dbraw/zinc/33/70/10/1377337010.db2.gz TUHYMCDERRSDII-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@@H]1CCCc2ccccc21 ZINC001266579562 1377337013 /nfs/dbraw/zinc/33/70/13/1377337013.db2.gz TUHYMCDERRSDII-HXUWFJFHSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001275657227 1378150182 /nfs/dbraw/zinc/15/01/82/1378150182.db2.gz BYZUHOSQEHLKIW-YOEHRIQHSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001275657227 1378150185 /nfs/dbraw/zinc/15/01/85/1378150185.db2.gz BYZUHOSQEHLKIW-YOEHRIQHSA-N 1 3 347.528 3.178 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)CC(C)(C)C ZINC001277764521 1378248535 /nfs/dbraw/zinc/24/85/35/1378248535.db2.gz VQQJFSHFKXAHHC-SJORKVTESA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001282275223 1378494211 /nfs/dbraw/zinc/49/42/11/1378494211.db2.gz VFEKGRBJAKWKIT-CTWPCTMYSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001327539489 1388554774 /nfs/dbraw/zinc/55/47/74/1388554774.db2.gz ASMBSTQKKMBGDO-OAQYLSRUSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001327539489 1388554777 /nfs/dbraw/zinc/55/47/77/1388554777.db2.gz ASMBSTQKKMBGDO-OAQYLSRUSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001283678058 1379106803 /nfs/dbraw/zinc/10/68/03/1379106803.db2.gz LMCKPMFRGSWVHL-VQIMIIECSA-N 1 3 343.531 3.216 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001284346479 1379744098 /nfs/dbraw/zinc/74/40/98/1379744098.db2.gz IMUBGSOISLMZAR-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)CN1CCCC1 ZINC001284559807 1379969591 /nfs/dbraw/zinc/96/95/91/1379969591.db2.gz ZMPUWGMMOZLJTQ-GOSISDBHSA-N 1 3 331.504 3.012 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)CN1CCCC1 ZINC001284559807 1379969595 /nfs/dbraw/zinc/96/95/95/1379969595.db2.gz ZMPUWGMMOZLJTQ-GOSISDBHSA-N 1 3 331.504 3.012 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597601 1379998711 /nfs/dbraw/zinc/99/87/11/1379998711.db2.gz IVQQYDUVDKOFPH-OALUTQOASA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC001284632358 1380037068 /nfs/dbraw/zinc/03/70/68/1380037068.db2.gz RSIGZTVKJCBVQZ-MRXNPFEDSA-N 1 3 327.557 3.131 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1)N(C)C ZINC001328016674 1388645347 /nfs/dbraw/zinc/64/53/47/1388645347.db2.gz BRQCOVCMLJKXDC-SFHVURJKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084414 1388667146 /nfs/dbraw/zinc/66/71/46/1388667146.db2.gz YIIUKYQAVRTKIY-QWPQOLDESA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C(C)(C)C1 ZINC001328084414 1388667148 /nfs/dbraw/zinc/66/71/48/1388667148.db2.gz YIIUKYQAVRTKIY-QWPQOLDESA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001328112211 1388676593 /nfs/dbraw/zinc/67/65/93/1388676593.db2.gz CGTUMWJRJWITQJ-MJGOQNOKSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001328112211 1388676595 /nfs/dbraw/zinc/67/65/95/1388676595.db2.gz CGTUMWJRJWITQJ-MJGOQNOKSA-N 1 3 345.531 3.305 10 0 EGAEHO CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001328588705 1388784720 /nfs/dbraw/zinc/78/47/20/1388784720.db2.gz XYEXTTQJGWEVJY-OVKVCFKUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001328588705 1388784725 /nfs/dbraw/zinc/78/47/25/1388784725.db2.gz XYEXTTQJGWEVJY-OVKVCFKUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001328674234 1388803806 /nfs/dbraw/zinc/80/38/06/1388803806.db2.gz QUMYBVZUJMGWPO-JTPHSUOKSA-N 1 3 343.515 3.011 10 0 EGAEHO CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001328686801 1388807895 /nfs/dbraw/zinc/80/78/95/1388807895.db2.gz POKCOIPSORPKGO-RTBURBONSA-N 1 3 343.515 3.033 10 0 EGAEHO CC[C@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001328869539 1388891726 /nfs/dbraw/zinc/89/17/26/1388891726.db2.gz QEMXXOUDNWMCOK-KVZIAJEVSA-N 1 3 343.515 3.106 10 0 EGAEHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1cc(C)ccc1C ZINC001316603874 1384472258 /nfs/dbraw/zinc/47/22/58/1384472258.db2.gz CIQLDDOXNGLTOT-RBUKOAKNSA-N 1 3 345.531 3.239 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1cc(C)ccc1C ZINC001316603874 1384472260 /nfs/dbraw/zinc/47/22/60/1384472260.db2.gz CIQLDDOXNGLTOT-RBUKOAKNSA-N 1 3 345.531 3.239 10 0 EGAEHO CC(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001316610097 1384480106 /nfs/dbraw/zinc/48/01/06/1384480106.db2.gz HCEYRCVSUGTLOG-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001316623961 1384489425 /nfs/dbraw/zinc/48/94/25/1384489425.db2.gz LFTWZFTXEIPBNX-LMMKCTJWSA-N 1 3 349.563 3.172 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001316684495 1384524377 /nfs/dbraw/zinc/52/43/77/1384524377.db2.gz XWKOHLMFLNEZCM-VQIMIIECSA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001317041292 1384814742 /nfs/dbraw/zinc/81/47/42/1384814742.db2.gz AZGJFYWVEGFNJJ-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001317041292 1384814744 /nfs/dbraw/zinc/81/47/44/1384814744.db2.gz AZGJFYWVEGFNJJ-IBGZPJMESA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCC(C)C)CC[C@@H]21 ZINC001317099302 1384862289 /nfs/dbraw/zinc/86/22/89/1384862289.db2.gz AOSNEJXZGHWYGF-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC(C)C)CC[C@@H]21 ZINC001317099302 1384862295 /nfs/dbraw/zinc/86/22/95/1384862295.db2.gz AOSNEJXZGHWYGF-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317100200 1384863171 /nfs/dbraw/zinc/86/31/71/1384863171.db2.gz OGAPXINJNXXXNX-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317100200 1384863177 /nfs/dbraw/zinc/86/31/77/1384863177.db2.gz OGAPXINJNXXXNX-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001317169337 1384934409 /nfs/dbraw/zinc/93/44/09/1384934409.db2.gz ZIDAAALKCBEDJI-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001317183042 1384958865 /nfs/dbraw/zinc/95/88/65/1384958865.db2.gz MDIOKYATQGOLIG-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246626 1385019695 /nfs/dbraw/zinc/01/96/95/1385019695.db2.gz VXAJBNGHFWORDG-ICSRJNTNSA-N 1 3 345.531 3.081 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001317346484 1385096662 /nfs/dbraw/zinc/09/66/62/1385096662.db2.gz VMVVCZCMQKXMDR-RBUKOAKNSA-N 1 3 345.531 3.143 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317351000 1385100072 /nfs/dbraw/zinc/10/00/72/1385100072.db2.gz NRQGDIGIZSFKBD-DFOOCIKTSA-N 1 3 335.536 3.234 10 0 EGAEHO CCc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)c1 ZINC001329107593 1388972517 /nfs/dbraw/zinc/97/25/17/1388972517.db2.gz XHGKXXNAZKDYKH-SJORKVTESA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001698612173 1406242101 /nfs/dbraw/zinc/24/21/01/1406242101.db2.gz GFJNNSIZCACIJB-IEBWSBKVSA-N 1 3 345.531 3.136 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484372 1385716811 /nfs/dbraw/zinc/71/68/11/1385716811.db2.gz YDCSEBDKBYYRAU-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001318484372 1385716814 /nfs/dbraw/zinc/71/68/14/1385716814.db2.gz YDCSEBDKBYYRAU-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001319119361 1385966127 /nfs/dbraw/zinc/96/61/27/1385966127.db2.gz QPYBEPOKMNTXJO-HXUWFJFHSA-N 1 3 347.547 3.189 10 0 EGAEHO C[NH+](C)CC[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001177531847 1385987487 /nfs/dbraw/zinc/98/74/87/1385987487.db2.gz HKDDULHINXMSQW-SFHVURJKSA-N 1 3 343.515 3.086 10 0 EGAEHO CCCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCCC1 ZINC001319389539 1386099704 /nfs/dbraw/zinc/09/97/04/1386099704.db2.gz NJNCTVXWHFBKGY-GOSISDBHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001319663165 1386241402 /nfs/dbraw/zinc/24/14/02/1386241402.db2.gz MFHLKDPNYYSRJP-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)CN(C)C(C)C ZINC001320930228 1386762066 /nfs/dbraw/zinc/76/20/66/1386762066.db2.gz XGTWEJCWPNBAAP-SFHVURJKSA-N 1 3 333.520 3.143 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC/C=C\C[NH2+]CC2=CCCCC2)c1 ZINC001321415123 1386897224 /nfs/dbraw/zinc/89/72/24/1386897224.db2.gz CGYKYEBFIYBSQG-SREVYHEPSA-N 1 3 341.499 3.124 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001322003958 1387028937 /nfs/dbraw/zinc/02/89/37/1387028937.db2.gz IBQZYGBCBBDPPQ-HKUYNNGSSA-N 1 3 349.563 3.314 10 0 EGAEHO CCc1ccccc1CN(C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001322178733 1387089635 /nfs/dbraw/zinc/08/96/35/1387089635.db2.gz ZJPFXTBONWBDNY-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1CN(C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001322178733 1387089639 /nfs/dbraw/zinc/08/96/39/1387089639.db2.gz ZJPFXTBONWBDNY-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001698704471 1406346150 /nfs/dbraw/zinc/34/61/50/1406346150.db2.gz PBYSEBIMNMDLRL-GOSISDBHSA-N 1 3 345.531 3.306 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001322843696 1387245061 /nfs/dbraw/zinc/24/50/61/1387245061.db2.gz GTDJEIPKGHABPG-SFHVURJKSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001329256738 1389037795 /nfs/dbraw/zinc/03/77/95/1389037795.db2.gz MOUUHSDFQLJFKQ-JCYILVPMSA-N 1 3 325.541 3.122 10 0 EGAEHO CCCCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001329996448 1389281279 /nfs/dbraw/zinc/28/12/79/1389281279.db2.gz CVZACNZETGYRGI-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075342 1389621843 /nfs/dbraw/zinc/62/18/43/1389621843.db2.gz VYEKPPJTFMDRRP-GOSISDBHSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331075342 1389621846 /nfs/dbraw/zinc/62/18/46/1389621846.db2.gz VYEKPPJTFMDRRP-GOSISDBHSA-N 1 3 345.531 3.319 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001331616807 1389831643 /nfs/dbraw/zinc/83/16/43/1389831643.db2.gz RERGTNBTQMKCPQ-OXJNMPFZSA-N 1 3 345.531 3.231 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC001331998401 1389940675 /nfs/dbraw/zinc/94/06/75/1389940675.db2.gz SVPJXJJFTBBADT-AEFFLSMTSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001332050513 1389959157 /nfs/dbraw/zinc/95/91/57/1389959157.db2.gz PUXNYUOIXNUJLT-MOPGFXCFSA-N 1 3 345.531 3.033 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339610 1390090913 /nfs/dbraw/zinc/09/09/13/1390090913.db2.gz GQVKJWQWDIRTRZ-OALUTQOASA-N 1 3 335.536 3.092 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001332972039 1390226893 /nfs/dbraw/zinc/22/68/93/1390226893.db2.gz IQCSGPUPNAUCMC-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](NC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001698834623 1406529787 /nfs/dbraw/zinc/52/97/87/1406529787.db2.gz FHZKKGQCRVOFJR-JKSUJKDBSA-N 1 3 349.494 3.198 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963503 1392498872 /nfs/dbraw/zinc/49/88/72/1392498872.db2.gz IIFHOXBBNJTTNJ-RTBURBONSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1)N(CC)CC ZINC001479963503 1392498875 /nfs/dbraw/zinc/49/88/75/1392498875.db2.gz IIFHOXBBNJTTNJ-RTBURBONSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)N(C)C ZINC001479985333 1392517355 /nfs/dbraw/zinc/51/73/55/1392517355.db2.gz MQYRASXQRDRLMH-RBUKOAKNSA-N 1 3 347.547 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC001480366539 1392709427 /nfs/dbraw/zinc/70/94/27/1392709427.db2.gz ALZSCVRSRSVSFK-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460631 1392760018 /nfs/dbraw/zinc/76/00/18/1392760018.db2.gz WXRBTNSJWAFMQG-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480682147 1392851007 /nfs/dbraw/zinc/85/10/07/1392851007.db2.gz CPGKKRGNBLGLTN-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481112504 1393122628 /nfs/dbraw/zinc/12/26/28/1393122628.db2.gz KEHDVFTWJRRECL-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001481112504 1393122629 /nfs/dbraw/zinc/12/26/29/1393122629.db2.gz KEHDVFTWJRRECL-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001481390652 1394230401 /nfs/dbraw/zinc/23/04/01/1394230401.db2.gz MGXNMPMRNFWYAU-MKXGPGLRSA-N 1 3 349.563 3.361 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001481390652 1394230406 /nfs/dbraw/zinc/23/04/06/1394230406.db2.gz MGXNMPMRNFWYAU-MKXGPGLRSA-N 1 3 349.563 3.361 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462144 1394318939 /nfs/dbraw/zinc/31/89/39/1394318939.db2.gz PZCVQZPIAMRPAL-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001481462144 1394318942 /nfs/dbraw/zinc/31/89/42/1394318942.db2.gz PZCVQZPIAMRPAL-OALUTQOASA-N 1 3 345.531 3.224 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812038 1394541225 /nfs/dbraw/zinc/54/12/25/1394541225.db2.gz ZHHCRLRUFXIOCJ-RTBURBONSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(C)c1 ZINC001482464202 1395021293 /nfs/dbraw/zinc/02/12/93/1395021293.db2.gz WUAZGBZXAMLQBS-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)N(C)C ZINC001483933755 1395150740 /nfs/dbraw/zinc/15/07/40/1395150740.db2.gz GNQOFUQYENRVRS-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CCC2CCCCC2)C2CC2)CCC1 ZINC001485815265 1396157403 /nfs/dbraw/zinc/15/74/03/1396157403.db2.gz XWPLLVCKAURLRQ-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001499955872 1396185120 /nfs/dbraw/zinc/18/51/20/1396185120.db2.gz YTGYGNVIWLNQBM-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC001486235239 1396185673 /nfs/dbraw/zinc/18/56/73/1396185673.db2.gz UXNMNKUSFYMKHA-QTYXSNHHSA-N 1 3 337.552 3.146 10 0 EGAEHO CCCCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001503764138 1396268218 /nfs/dbraw/zinc/26/82/18/1396268218.db2.gz OGPZEKOONKFCMW-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159175 1396389721 /nfs/dbraw/zinc/38/97/21/1396389721.db2.gz IEADSCHZVDQCPU-QUCCMNQESA-N 1 3 349.563 3.079 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCCC3CCCC3)C2)C1 ZINC001494159175 1396389725 /nfs/dbraw/zinc/38/97/25/1396389725.db2.gz IEADSCHZVDQCPU-QUCCMNQESA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCCC1 ZINC001495964043 1396580655 /nfs/dbraw/zinc/58/06/55/1396580655.db2.gz WLQOPQTUOPLBDB-LJQANCHMSA-N 1 3 349.563 3.482 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001496392314 1396685463 /nfs/dbraw/zinc/68/54/63/1396685463.db2.gz UQYGLBHAKAVMSB-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)[C@H](C(C)C)N(C)C ZINC001497486830 1396765254 /nfs/dbraw/zinc/76/52/54/1396765254.db2.gz USZKDYLNWCYJBI-FQEVSTJZSA-N 1 3 347.547 3.136 10 0 EGAEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CCC2CCCCCC2)CC1 ZINC001497714011 1396796090 /nfs/dbraw/zinc/79/60/90/1396796090.db2.gz LEIZSOIPFLPKDM-VOTSOKGWSA-N 1 3 349.563 3.341 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001689108138 1396914906 /nfs/dbraw/zinc/91/49/06/1396914906.db2.gz IKFHGJKAZMBQEN-MJGOQNOKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001498492838 1397036792 /nfs/dbraw/zinc/03/67/92/1397036792.db2.gz UZLDUGUQCQBZPR-MSOLQXFVSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689912178 1404205396 /nfs/dbraw/zinc/20/53/96/1404205396.db2.gz RLBYOHHKMHWSFP-SJORKVTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001690131799 1404327303 /nfs/dbraw/zinc/32/73/03/1404327303.db2.gz ZZYFBXDSEVODOB-IEBWSBKVSA-N 1 3 343.515 3.059 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690215151 1404422931 /nfs/dbraw/zinc/42/29/31/1404422931.db2.gz DJIFNZHIGRWWCP-LWYYNNOASA-N 1 3 349.563 3.362 10 0 EGAEHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215814 1404424664 /nfs/dbraw/zinc/42/46/64/1404424664.db2.gz APVPTSIQYRWMRX-XLDNSSHCSA-N 1 3 347.547 3.284 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001690610751 1404651637 /nfs/dbraw/zinc/65/16/37/1404651637.db2.gz UCVWEGZYBQREJM-MRXNPFEDSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001690982376 1404895910 /nfs/dbraw/zinc/89/59/10/1404895910.db2.gz ZFLUTYVJDCNNCJ-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCC1CCCCC1 ZINC001690982376 1404895914 /nfs/dbraw/zinc/89/59/14/1404895914.db2.gz ZFLUTYVJDCNNCJ-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001691429081 1405263419 /nfs/dbraw/zinc/26/34/19/1405263419.db2.gz UTYFDMKUKQFKQJ-BNCVPQAMSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001691429081 1405263422 /nfs/dbraw/zinc/26/34/22/1405263422.db2.gz UTYFDMKUKQFKQJ-BNCVPQAMSA-N 1 3 349.563 3.290 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691481983 1405295641 /nfs/dbraw/zinc/29/56/41/1405295641.db2.gz XMAIXARSKIHTRP-QGZVKYPTSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1Cc1ccccc1C ZINC001691482667 1405296007 /nfs/dbraw/zinc/29/60/07/1405296007.db2.gz QBYORTOMGBOQQW-ZCNNSNEGSA-N 1 3 345.531 3.050 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1Cc1ccccc1C ZINC001691482667 1405296010 /nfs/dbraw/zinc/29/60/10/1405296010.db2.gz QBYORTOMGBOQQW-ZCNNSNEGSA-N 1 3 345.531 3.050 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001691595153 1405350561 /nfs/dbraw/zinc/35/05/61/1405350561.db2.gz IHBVRAPMFQEKEP-OKZBNKHCSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCCCC2)C1 ZINC001691661610 1405394769 /nfs/dbraw/zinc/39/47/69/1405394769.db2.gz VWPZRHUGERGJPH-ICSRJNTNSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCCCC2)C1 ZINC001691661610 1405394772 /nfs/dbraw/zinc/39/47/72/1405394772.db2.gz VWPZRHUGERGJPH-ICSRJNTNSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999655 1405716482 /nfs/dbraw/zinc/71/64/82/1405716482.db2.gz VIADXIJVCPLAAY-RBUKOAKNSA-N 1 3 345.531 3.177 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001691999655 1405716486 /nfs/dbraw/zinc/71/64/86/1405716486.db2.gz VIADXIJVCPLAAY-RBUKOAKNSA-N 1 3 345.531 3.177 10 0 EGAEHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)CC(C)(C)C2)C1 ZINC001692275506 1405907136 /nfs/dbraw/zinc/90/71/36/1405907136.db2.gz IYLDQOBRIWLGQY-ABHNRTSZSA-N 1 3 349.563 3.124 10 0 EGAEHO CC1CC(C[N@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)CC(C)(C)C2)C1 ZINC001692275506 1405907141 /nfs/dbraw/zinc/90/71/41/1405907141.db2.gz IYLDQOBRIWLGQY-ABHNRTSZSA-N 1 3 349.563 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368111 1405977606 /nfs/dbraw/zinc/97/76/06/1405977606.db2.gz ICCQMUKRKYOLSX-NIXPFCLKSA-N 1 3 347.547 3.329 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368111 1405977610 /nfs/dbraw/zinc/97/76/10/1405977610.db2.gz ICCQMUKRKYOLSX-NIXPFCLKSA-N 1 3 347.547 3.329 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001732082852 1428339149 /nfs/dbraw/zinc/33/91/49/1428339149.db2.gz FTVVBZANGPELOW-IAGOWNOFSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001732082852 1428339156 /nfs/dbraw/zinc/33/91/56/1428339156.db2.gz FTVVBZANGPELOW-IAGOWNOFSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001732084769 1428343874 /nfs/dbraw/zinc/34/38/74/1428343874.db2.gz UWJPLQFEIOFIMF-IAGOWNOFSA-N 1 3 349.494 3.007 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001732084769 1428343876 /nfs/dbraw/zinc/34/38/76/1428343876.db2.gz UWJPLQFEIOFIMF-IAGOWNOFSA-N 1 3 349.494 3.007 10 0 EGAEHO CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732151146 1428394583 /nfs/dbraw/zinc/39/45/83/1428394583.db2.gz ZSTFFYPOGHPDKQ-PMACEKPBSA-N 1 3 343.515 3.227 10 0 EGAEHO CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001732516761 1428636021 /nfs/dbraw/zinc/63/60/21/1428636021.db2.gz LXDBSECNGPQABO-HXUWFJFHSA-N 1 3 345.531 3.379 10 0 EGAEHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001699324303 1412639274 /nfs/dbraw/zinc/63/92/74/1412639274.db2.gz LDTPHNRSSXCPKE-FZZLMOMWSA-N 1 3 349.563 3.197 10 0 EGAEHO C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001699421921 1412736884 /nfs/dbraw/zinc/73/68/84/1412736884.db2.gz DCKULLJNZIYDLR-KXBFYZLASA-N 1 3 343.531 3.120 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCC1 ZINC001699463404 1412822858 /nfs/dbraw/zinc/82/28/58/1412822858.db2.gz HGAHQIRAAPGCDP-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC1CCC1 ZINC001699463404 1412822862 /nfs/dbraw/zinc/82/28/62/1412822862.db2.gz HGAHQIRAAPGCDP-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1)N(C)C ZINC001699773802 1413182156 /nfs/dbraw/zinc/18/21/56/1413182156.db2.gz GPZJBVIVRWXNPC-SFHVURJKSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CCC(C[NH2+]CC[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001700064344 1413481282 /nfs/dbraw/zinc/48/12/82/1413481282.db2.gz BSRVZQDKHMSSIX-CTWPCTMYSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC=C(C)C)C2)C1 ZINC001700197922 1413640328 /nfs/dbraw/zinc/64/03/28/1413640328.db2.gz NMLVVWGSYJASNA-VQTJNVASSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC=C(C)C)C2)C1 ZINC001700197922 1413640331 /nfs/dbraw/zinc/64/03/31/1413640331.db2.gz NMLVVWGSYJASNA-VQTJNVASSA-N 1 3 349.563 3.245 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001700225176 1413677460 /nfs/dbraw/zinc/67/74/60/1413677460.db2.gz YNBBAZQNHDMIJH-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001700365726 1413889627 /nfs/dbraw/zinc/88/96/27/1413889627.db2.gz XSBLSTJFUPWNFT-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001700365726 1413889632 /nfs/dbraw/zinc/88/96/32/1413889632.db2.gz XSBLSTJFUPWNFT-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001700414803 1413958226 /nfs/dbraw/zinc/95/82/26/1413958226.db2.gz BVIMFCZDGAZLMN-IAGOWNOFSA-N 1 3 339.568 3.418 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CCCC(C)(C)C)C1 ZINC001700445366 1414020993 /nfs/dbraw/zinc/02/09/93/1414020993.db2.gz MLCAOQNRZAOWHK-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700780975 1414463289 /nfs/dbraw/zinc/46/32/89/1414463289.db2.gz QJOJZSSYRZZYJT-HKCWIBIESA-N 1 3 343.515 3.011 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001701061294 1414717749 /nfs/dbraw/zinc/71/77/49/1414717749.db2.gz HQRWFUUMHWIQHK-OALUTQOASA-N 1 3 349.563 3.293 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001701061294 1414717751 /nfs/dbraw/zinc/71/77/51/1414717751.db2.gz HQRWFUUMHWIQHK-OALUTQOASA-N 1 3 349.563 3.293 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001707062870 1417178481 /nfs/dbraw/zinc/17/84/81/1417178481.db2.gz OCJNCOZICGTRHS-HXUWFJFHSA-N 1 3 345.531 3.331 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001707062870 1417178484 /nfs/dbraw/zinc/17/84/84/1417178484.db2.gz OCJNCOZICGTRHS-HXUWFJFHSA-N 1 3 345.531 3.331 10 0 EGAEHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001707072024 1417184038 /nfs/dbraw/zinc/18/40/38/1417184038.db2.gz BLOGKQPOGXLQNF-AYOQOUSVSA-N 1 3 349.494 3.101 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001707166195 1417227019 /nfs/dbraw/zinc/22/70/19/1417227019.db2.gz QWZFNFLSHBAJCW-MSOLQXFVSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001707240863 1417260863 /nfs/dbraw/zinc/26/08/63/1417260863.db2.gz LSQNWFKTYDFAPY-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC001707277910 1417285225 /nfs/dbraw/zinc/28/52/25/1417285225.db2.gz FAMBUNKCKDPTDU-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC001707277910 1417285227 /nfs/dbraw/zinc/28/52/27/1417285227.db2.gz FAMBUNKCKDPTDU-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220197 1417800933 /nfs/dbraw/zinc/80/09/33/1417800933.db2.gz GVLTYQOPSUXEAB-LKGOPFMKSA-N 1 3 337.552 3.149 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001713220197 1417800936 /nfs/dbraw/zinc/80/09/36/1417800936.db2.gz GVLTYQOPSUXEAB-LKGOPFMKSA-N 1 3 337.552 3.149 10 0 EGAEHO CCC(CC)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001713417411 1418041195 /nfs/dbraw/zinc/04/11/95/1418041195.db2.gz QTDPIDIWNWLIAA-BEFAXECRSA-N 1 3 343.531 3.120 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1CCCN1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515594 1418250543 /nfs/dbraw/zinc/25/05/43/1418250543.db2.gz XTCKJVUBBONVLT-UXHICEINSA-N 1 3 345.531 3.196 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001713792257 1418610098 /nfs/dbraw/zinc/61/00/98/1418610098.db2.gz VVTOCOXBOGYQML-HKVCONOFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001713792257 1418610100 /nfs/dbraw/zinc/61/01/00/1418610100.db2.gz VVTOCOXBOGYQML-HKVCONOFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001714095780 1418889186 /nfs/dbraw/zinc/88/91/86/1418889186.db2.gz NHUWIKFNHPDMAY-ABHNRTSZSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001714115744 1418917932 /nfs/dbraw/zinc/91/79/32/1418917932.db2.gz UFDBPFMWGHKFBE-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)N(CC)CC ZINC001714115744 1418917936 /nfs/dbraw/zinc/91/79/36/1418917936.db2.gz UFDBPFMWGHKFBE-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001714543287 1419268405 /nfs/dbraw/zinc/26/84/05/1419268405.db2.gz VHPWWAZNVHMSRE-FQEVSTJZSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001714543287 1419268407 /nfs/dbraw/zinc/26/84/07/1419268407.db2.gz VHPWWAZNVHMSRE-FQEVSTJZSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001714572082 1419305194 /nfs/dbraw/zinc/30/51/94/1419305194.db2.gz JHLMNGHGKJJTGZ-CALCHBBNSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001714572082 1419305198 /nfs/dbraw/zinc/30/51/98/1419305198.db2.gz JHLMNGHGKJJTGZ-CALCHBBNSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714754477 1419495027 /nfs/dbraw/zinc/49/50/27/1419495027.db2.gz YFZUSIQDQWMQRJ-VQIMIIECSA-N 1 3 343.531 3.216 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001714806755 1419519282 /nfs/dbraw/zinc/51/92/82/1419519282.db2.gz LKPYVSRKTROZSZ-KEGWNNHHSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC[NH2+]Cc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001715198694 1419930690 /nfs/dbraw/zinc/93/06/90/1419930690.db2.gz ZJQZRWOLFPDGFK-HXUWFJFHSA-N 1 3 349.494 3.015 10 0 EGAEHO CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001715249040 1419974712 /nfs/dbraw/zinc/97/47/12/1419974712.db2.gz DJEAYHRTHHEWQR-LJQANCHMSA-N 1 3 331.504 3.133 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)N1CCCC1 ZINC001715396683 1420094340 /nfs/dbraw/zinc/09/43/40/1420094340.db2.gz ZSOMHFAYQBJIKF-KRWDZBQOSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001716076475 1420530556 /nfs/dbraw/zinc/53/05/56/1420530556.db2.gz ZJKFWRLKQSSQIM-OALUTQOASA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)(C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CC1)N1CCCC1 ZINC001716617540 1420780862 /nfs/dbraw/zinc/78/08/62/1420780862.db2.gz LIUNPAQXANGAQJ-LJQANCHMSA-N 1 3 349.563 3.316 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001716733205 1420891809 /nfs/dbraw/zinc/89/18/09/1420891809.db2.gz BEEJAUBAPZLYHA-FPOVZHCZSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001716733205 1420891812 /nfs/dbraw/zinc/89/18/12/1420891812.db2.gz BEEJAUBAPZLYHA-FPOVZHCZSA-N 1 3 349.563 3.366 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001716984252 1421061177 /nfs/dbraw/zinc/06/11/77/1421061177.db2.gz FVTHKOBLUWXBBW-PKOBYXMFSA-N 1 3 347.547 3.045 10 0 EGAEHO CCCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)N1CCCC1 ZINC001717113884 1421117512 /nfs/dbraw/zinc/11/75/12/1421117512.db2.gz SHBKYYQZKLGFKN-UHFFFAOYSA-N 1 3 345.531 3.409 10 0 EGAEHO CCCC[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)N1CCCC1 ZINC001717113884 1421117513 /nfs/dbraw/zinc/11/75/13/1421117513.db2.gz SHBKYYQZKLGFKN-UHFFFAOYSA-N 1 3 345.531 3.409 10 0 EGAEHO CCC1([NH2+]Cc2cccc(C)c2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001717241933 1421210510 /nfs/dbraw/zinc/21/05/10/1421210510.db2.gz GQDCUHAZNXYLSD-UHFFFAOYSA-N 1 3 345.531 3.196 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001717394757 1421330432 /nfs/dbraw/zinc/33/04/32/1421330432.db2.gz SPCMHEPIUXOELW-MHJFOBGBSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)c1ccccc1CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717473613 1421406662 /nfs/dbraw/zinc/40/66/62/1421406662.db2.gz URMVZELEAYGKMT-MBOZVWFJSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)c1ccccc1CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717473613 1421406664 /nfs/dbraw/zinc/40/66/64/1421406664.db2.gz URMVZELEAYGKMT-MBOZVWFJSA-N 1 3 345.531 3.087 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1c(C)cccc1C ZINC001717474840 1421408348 /nfs/dbraw/zinc/40/83/48/1421408348.db2.gz UWVLMALGQUTFRQ-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001717474840 1421408350 /nfs/dbraw/zinc/40/83/50/1421408350.db2.gz UWVLMALGQUTFRQ-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001733298537 1429481469 /nfs/dbraw/zinc/48/14/69/1429481469.db2.gz WWGKBRNIGVYQFV-NQIIRXRSSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC001733298537 1429481520 /nfs/dbraw/zinc/48/15/20/1429481520.db2.gz WWGKBRNIGVYQFV-NQIIRXRSSA-N 1 3 343.515 3.012 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCC1CCCC1 ZINC001717512019 1421448526 /nfs/dbraw/zinc/44/85/26/1421448526.db2.gz PRZHVXCFCKHJIS-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001733300237 1429485072 /nfs/dbraw/zinc/48/50/72/1429485072.db2.gz LPDBVNFHVRWESX-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001733300237 1429485075 /nfs/dbraw/zinc/48/50/75/1429485075.db2.gz LPDBVNFHVRWESX-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001717893863 1421692409 /nfs/dbraw/zinc/69/24/09/1421692409.db2.gz IEOZKYMCDBLBIE-MSOLQXFVSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001723333286 1424355765 /nfs/dbraw/zinc/35/57/65/1424355765.db2.gz GNXIQYMLXJEYTJ-WOJBJXKFSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001733513425 1429721649 /nfs/dbraw/zinc/72/16/49/1429721649.db2.gz LAIZJVQQGPBFRY-GOSISDBHSA-N 1 3 346.519 3.093 10 0 EGAEHO C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)N1CCCCCC1 ZINC001724097429 1424661020 /nfs/dbraw/zinc/66/10/20/1424661020.db2.gz HDCHMEUOAAESGL-PXNSSMCTSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001724340770 1424834777 /nfs/dbraw/zinc/83/47/77/1424834777.db2.gz NUSNLMRUOIPZKO-QUCCMNQESA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001724340770 1424834782 /nfs/dbraw/zinc/83/47/82/1424834782.db2.gz NUSNLMRUOIPZKO-QUCCMNQESA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)N(C)C ZINC001724603348 1424934779 /nfs/dbraw/zinc/93/47/79/1424934779.db2.gz ODKAYWSZGIXYBW-XMTFNYHQSA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)N(C)C ZINC001724603348 1424934792 /nfs/dbraw/zinc/93/47/92/1424934792.db2.gz ODKAYWSZGIXYBW-XMTFNYHQSA-N 1 3 337.552 3.122 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724734169 1425087075 /nfs/dbraw/zinc/08/70/75/1425087075.db2.gz NSNRFODSQMEVIB-IBGZPJMESA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833202 1425179057 /nfs/dbraw/zinc/17/90/57/1425179057.db2.gz BXCXMSXDXRNNSN-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833202 1425179061 /nfs/dbraw/zinc/17/90/61/1425179061.db2.gz BXCXMSXDXRNNSN-DUMMIQTOSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001725132456 1425602769 /nfs/dbraw/zinc/60/27/69/1425602769.db2.gz VPLJADVTVAEHPG-DAWZGUTISA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725135251 1425608743 /nfs/dbraw/zinc/60/87/43/1425608743.db2.gz QBAKUUPWATXXQI-WOKGBUJHSA-N 1 3 343.515 3.057 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001725138290 1425615122 /nfs/dbraw/zinc/61/51/22/1425615122.db2.gz YHIKATGFGGQERR-WWDZGPRUSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)c1ccc(CN(C)[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001725182336 1425708585 /nfs/dbraw/zinc/70/85/85/1425708585.db2.gz ZJOXYUCIVWFITK-QGZVFWFLSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725339365 1425988114 /nfs/dbraw/zinc/98/81/14/1425988114.db2.gz SVDPYUXCAJENLR-SREVYHEPSA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001725339365 1425988118 /nfs/dbraw/zinc/98/81/18/1425988118.db2.gz SVDPYUXCAJENLR-SREVYHEPSA-N 1 3 347.547 3.142 10 0 EGAEHO Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001725420501 1426068547 /nfs/dbraw/zinc/06/85/47/1426068547.db2.gz VVDFTDHDFWOLOJ-QFBILLFUSA-N 1 3 345.531 3.020 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471843 1426143015 /nfs/dbraw/zinc/14/30/15/1426143015.db2.gz JWVICTSVZQFUEV-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1C[C@H](NCc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588778 1426244118 /nfs/dbraw/zinc/24/41/18/1426244118.db2.gz JIYYRFLQQVGNKD-WMZOPIPTSA-N 1 3 349.544 3.093 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001725656186 1426339668 /nfs/dbraw/zinc/33/96/68/1426339668.db2.gz SUHYLMJEVBEXFN-WIJVFFIESA-N 1 3 335.536 3.092 10 0 EGAEHO Cc1ccc(CN(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)C)cc1 ZINC001725730587 1426399969 /nfs/dbraw/zinc/39/99/69/1426399969.db2.gz XQYZBUSFTZYFGZ-LJQANCHMSA-N 1 3 345.531 3.006 10 0 EGAEHO Cc1ccc(CN(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C(C)C)cc1 ZINC001725730587 1426399977 /nfs/dbraw/zinc/39/99/77/1426399977.db2.gz XQYZBUSFTZYFGZ-LJQANCHMSA-N 1 3 345.531 3.006 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736695 1426411076 /nfs/dbraw/zinc/41/10/76/1426411076.db2.gz DEMQRQWUEBVGNS-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCCC[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001725793249 1426478971 /nfs/dbraw/zinc/47/89/71/1426478971.db2.gz CFKKRUIXBPSMEG-GOSISDBHSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](Cc1ccsc1)C1CC1 ZINC001731346281 1427284122 /nfs/dbraw/zinc/28/41/22/1427284122.db2.gz LVFDIWPKJQRENB-SFHVURJKSA-N 1 3 349.544 3.093 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](Cc1ccsc1)C1CC1 ZINC001731346281 1427284123 /nfs/dbraw/zinc/28/41/23/1427284123.db2.gz LVFDIWPKJQRENB-SFHVURJKSA-N 1 3 349.544 3.093 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001731854096 1428085187 /nfs/dbraw/zinc/08/51/87/1428085187.db2.gz CBJYOMNRNOAJAS-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCC3CCCCCC3)C2)C1 ZINC001731854096 1428085192 /nfs/dbraw/zinc/08/51/92/1428085192.db2.gz CBJYOMNRNOAJAS-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731987918 1428198540 /nfs/dbraw/zinc/19/85/40/1428198540.db2.gz OQVKDVPAEDVNSO-KRWDZBQOSA-N 1 3 347.547 3.433 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664846 1429858183 /nfs/dbraw/zinc/85/81/83/1429858183.db2.gz CVPBPYOIDGHSGL-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716071 1429935140 /nfs/dbraw/zinc/93/51/40/1429935140.db2.gz DFXMHBNLCNICRT-KRWDZBQOSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733777461 1430026579 /nfs/dbraw/zinc/02/65/79/1430026579.db2.gz NKVDRQONFBBLNM-DLBZAZTESA-N 1 3 349.494 3.009 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001733777461 1430026583 /nfs/dbraw/zinc/02/65/83/1430026583.db2.gz NKVDRQONFBBLNM-DLBZAZTESA-N 1 3 349.494 3.009 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001733904572 1437723039 /nfs/dbraw/zinc/72/30/39/1437723039.db2.gz ZZPVZJUOHJMYKT-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001733904572 1437723041 /nfs/dbraw/zinc/72/30/41/1437723041.db2.gz ZZPVZJUOHJMYKT-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001734021161 1437810159 /nfs/dbraw/zinc/81/01/59/1437810159.db2.gz ZNMWNZXPHJJZFR-RBUKOAKNSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734025110 1437812926 /nfs/dbraw/zinc/81/29/26/1437812926.db2.gz JHXAZHLEGRMZDZ-QZTJIDSGSA-N 1 3 345.531 3.134 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1)N1CCCCCC1 ZINC001734056906 1437848615 /nfs/dbraw/zinc/84/86/15/1437848615.db2.gz DRGVDRBXIPLXOS-ZWKOTPCHSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1)N1CCCCCC1 ZINC001734056906 1437848617 /nfs/dbraw/zinc/84/86/17/1437848617.db2.gz DRGVDRBXIPLXOS-ZWKOTPCHSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[NH2+]CCC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001734285448 1438013469 /nfs/dbraw/zinc/01/34/69/1438013469.db2.gz SQYYSMLNVDOFKU-QUCCMNQESA-N 1 3 345.531 3.498 10 0 EGAEHO C[C@@H]([NH3+])CCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000193320822 240105034 /nfs/dbraw/zinc/10/50/34/240105034.db2.gz VETHDFJNGAPSKM-GOSISDBHSA-N 1 3 343.515 3.161 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc(F)c1 ZINC000268820341 252270530 /nfs/dbraw/zinc/27/05/30/252270530.db2.gz RUJTZZJLOULWSX-TYCQWZJGSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cccc(F)c1 ZINC000268820341 252270534 /nfs/dbraw/zinc/27/05/34/252270534.db2.gz RUJTZZJLOULWSX-TYCQWZJGSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@H](NCCOCCOc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923767 141217840 /nfs/dbraw/zinc/21/78/40/141217840.db2.gz DOKPAUVUJPRSRF-OALUTQOASA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@H](NCCOCCOc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923767 141217842 /nfs/dbraw/zinc/21/78/42/141217842.db2.gz DOKPAUVUJPRSRF-OALUTQOASA-N 1 3 346.515 3.325 10 0 EGAEHO C[C@H]([NH2+]CCOCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000347923767 141217843 /nfs/dbraw/zinc/21/78/43/141217843.db2.gz DOKPAUVUJPRSRF-OALUTQOASA-N 1 3 346.515 3.325 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000353464394 141303048 /nfs/dbraw/zinc/30/30/48/141303048.db2.gz UNOBVKGHIPPCCX-FHWLQOOXSA-N 1 3 329.488 3.365 10 0 EGAEHO C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000356230563 141324091 /nfs/dbraw/zinc/32/40/91/141324091.db2.gz MITGELIBYQVZLI-ILZDJORESA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000356230563 141324092 /nfs/dbraw/zinc/32/40/92/141324092.db2.gz MITGELIBYQVZLI-ILZDJORESA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@H](c1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192872772 153263496 /nfs/dbraw/zinc/26/34/96/153263496.db2.gz CTZOEIVTEDXJRQ-ZNDGOPKYSA-N 1 3 327.516 3.427 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248648332 163026613 /nfs/dbraw/zinc/02/66/13/163026613.db2.gz JPEUJAKVLPFPEO-CEWLAPEOSA-N 1 3 348.531 3.149 10 0 EGAEHO CCCCOC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248648332 163026615 /nfs/dbraw/zinc/02/66/15/163026615.db2.gz JPEUJAKVLPFPEO-CEWLAPEOSA-N 1 3 348.531 3.149 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248990832 163049229 /nfs/dbraw/zinc/04/92/29/163049229.db2.gz NHVHKZNIZXBPMF-NCYKPQTJSA-N 1 3 327.516 3.113 10 0 EGAEHO CCC[NH+]1CCC(CNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354355035 166008518 /nfs/dbraw/zinc/00/85/18/166008518.db2.gz ZYFBWYKNIXRPJM-UHFFFAOYSA-N 1 3 330.451 3.223 10 0 EGAEHO CN(CCc1cccnc1)[C@@H]1CCC[N@H+](CCc2cccnc2)CC1 ZINC000338940021 163396314 /nfs/dbraw/zinc/39/63/14/163396314.db2.gz QXGMLIHYNMSNAL-OAQYLSRUSA-N 1 3 338.499 3.048 10 0 EGAEHO CN(CCc1cccnc1)[C@@H]1CCC[N@@H+](CCc2cccnc2)CC1 ZINC000338940021 163396316 /nfs/dbraw/zinc/39/63/16/163396316.db2.gz QXGMLIHYNMSNAL-OAQYLSRUSA-N 1 3 338.499 3.048 10 0 EGAEHO C[C@@H]1C[C@H](C[N@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317714 165029890 /nfs/dbraw/zinc/02/98/90/165029890.db2.gz MWQFTHAERNJUAZ-IEBWSBKVSA-N 1 3 331.504 3.435 10 0 EGAEHO C[C@@H]1C[C@H](C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317714 165029892 /nfs/dbraw/zinc/02/98/92/165029892.db2.gz MWQFTHAERNJUAZ-IEBWSBKVSA-N 1 3 331.504 3.435 10 0 EGAEHO CC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000289631654 276369121 /nfs/dbraw/zinc/36/91/21/276369121.db2.gz LZIQOKUSLPMDDT-FQEVSTJZSA-N 1 3 327.516 3.069 10 0 EGAEHO CC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000289631654 276369122 /nfs/dbraw/zinc/36/91/22/276369122.db2.gz LZIQOKUSLPMDDT-FQEVSTJZSA-N 1 3 327.516 3.069 10 0 EGAEHO CC(C)[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994234 276431576 /nfs/dbraw/zinc/43/15/76/276431576.db2.gz CLAXZIXRKJBXJZ-FUHWJXTLSA-N 1 3 337.533 3.032 10 0 EGAEHO CC(C)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)c(F)c1 ZINC000181937509 280320654 /nfs/dbraw/zinc/32/06/54/280320654.db2.gz NWHRVKPBPNEOTE-IBGZPJMESA-N 1 3 339.474 3.278 10 0 EGAEHO C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000356230566 299046137 /nfs/dbraw/zinc/04/61/37/299046137.db2.gz MITGELIBYQVZLI-QRFRQXIXSA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H](c1ccccc1)N(C)C ZINC000356230566 299046141 /nfs/dbraw/zinc/04/61/41/299046141.db2.gz MITGELIBYQVZLI-QRFRQXIXSA-N 1 3 331.504 3.059 10 0 EGAEHO COCC[NH+]1CCC(NCc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414312816 309072379 /nfs/dbraw/zinc/07/23/79/309072379.db2.gz WXGQDQIZJRXBQI-UHFFFAOYSA-N 1 3 330.394 3.214 10 0 EGAEHO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000248417685 308002530 /nfs/dbraw/zinc/00/25/30/308002530.db2.gz RNZVRTQSQRGFDR-MTQWCTHYSA-N 1 3 328.500 3.444 10 0 EGAEHO CN(C[C@@H](O)CC1CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248971417 308015947 /nfs/dbraw/zinc/01/59/47/308015947.db2.gz CQMRQSCWKLOEDZ-SFTDATJTSA-N 1 3 330.516 3.382 10 0 EGAEHO CN(C[C@@H](O)CC1CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248971417 308015949 /nfs/dbraw/zinc/01/59/49/308015949.db2.gz CQMRQSCWKLOEDZ-SFTDATJTSA-N 1 3 330.516 3.382 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000293728535 308156746 /nfs/dbraw/zinc/15/67/46/308156746.db2.gz MVBLFTCBLWILSM-CMPLNLGQSA-N 1 3 329.307 3.429 10 0 EGAEHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414816610 309103544 /nfs/dbraw/zinc/10/35/44/309103544.db2.gz QEZISLDLYWNXBH-GJZGRUSLSA-N 1 3 341.455 3.222 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415118049 309121509 /nfs/dbraw/zinc/12/15/09/309121509.db2.gz DNJOYILEMIWPET-QUCCMNQESA-N 1 3 332.488 3.030 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@H](N)CC(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415120474 309121788 /nfs/dbraw/zinc/12/17/88/309121788.db2.gz YFLNPEKBYHRWCV-OWQGQXMQSA-N 1 3 343.437 3.202 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000415944086 309150401 /nfs/dbraw/zinc/15/04/01/309150401.db2.gz NVSYOURAOQBYFS-LJQANCHMSA-N 1 3 340.471 3.221 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](C)CCCCOC)CC1 ZINC000418138759 309237352 /nfs/dbraw/zinc/23/73/52/309237352.db2.gz SPNLCPUEGDIVRR-UHFFFAOYSA-N 1 3 333.520 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCCCOC)CC1 ZINC000418138759 309237353 /nfs/dbraw/zinc/23/73/53/309237353.db2.gz SPNLCPUEGDIVRR-UHFFFAOYSA-N 1 3 333.520 3.077 10 0 EGAEHO COCc1cccc(OCC2(CN3CC[C@H](C)[C@H](C[NH3+])C3)CCC2)c1 ZINC000420406376 309286881 /nfs/dbraw/zinc/28/68/81/309286881.db2.gz NUVWQHJXUYRTON-PKOBYXMFSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@@H+]3CC[C@H](C)[C@H](CN)C3)CCC2)c1 ZINC000420406376 309286882 /nfs/dbraw/zinc/28/68/82/309286882.db2.gz NUVWQHJXUYRTON-PKOBYXMFSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@H+]3CC[C@H](C)[C@H](CN)C3)CCC2)c1 ZINC000420406376 309286883 /nfs/dbraw/zinc/28/68/83/309286883.db2.gz NUVWQHJXUYRTON-PKOBYXMFSA-N 1 3 346.515 3.299 10 0 EGAEHO COc1ccc(CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422699855 309363538 /nfs/dbraw/zinc/36/35/38/309363538.db2.gz BKJRIMJGWJCWFW-ZWKOTPCHSA-N 1 3 326.440 3.371 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@H](Cc1ccccc1)c1ccccc1F ZINC000422775788 309367729 /nfs/dbraw/zinc/36/77/29/309367729.db2.gz CICICNNJIBNHKD-FXAWDEMLSA-N 1 3 330.447 3.453 10 0 EGAEHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422779109 309367840 /nfs/dbraw/zinc/36/78/40/309367840.db2.gz BKLDOSGUDHOUPT-GEALJGNFSA-N 1 3 332.488 3.363 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cnccc1N ZINC000422833445 309370859 /nfs/dbraw/zinc/37/08/59/309370859.db2.gz GWTXBPQLARHAGI-GJZGRUSLSA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833445 309370860 /nfs/dbraw/zinc/37/08/60/309370860.db2.gz GWTXBPQLARHAGI-GJZGRUSLSA-N 1 3 330.501 3.118 10 0 EGAEHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnccc1N ZINC000422833445 309370861 /nfs/dbraw/zinc/37/08/61/309370861.db2.gz GWTXBPQLARHAGI-GJZGRUSLSA-N 1 3 330.501 3.118 10 0 EGAEHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000422843138 309371545 /nfs/dbraw/zinc/37/15/45/309371545.db2.gz HDJMQNKZIJETQS-MSOLQXFVSA-N 1 3 327.403 3.047 10 0 EGAEHO Cc1nc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887562 309374263 /nfs/dbraw/zinc/37/42/63/309374263.db2.gz BGJWQZWXRZZGBN-APWZRJJASA-N 1 3 343.496 3.148 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cnccc2N)cc1 ZINC000422889792 309374534 /nfs/dbraw/zinc/37/45/34/309374534.db2.gz GVQKWUWVEHZGKC-MRXNPFEDSA-N 1 3 342.487 3.066 10 0 EGAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000422930680 309376558 /nfs/dbraw/zinc/37/65/58/309376558.db2.gz VLZBZCZTYXFFDE-XLIONFOSSA-N 1 3 343.515 3.192 10 0 EGAEHO Clc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1Cl ZINC000422930010 309376591 /nfs/dbraw/zinc/37/65/91/309376591.db2.gz ASHGWUMUXMAQMP-CWRNSKLLSA-N 1 3 343.298 3.283 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962752 309378597 /nfs/dbraw/zinc/37/85/97/309378597.db2.gz GUCAPALDLNOOQL-OXJNMPFZSA-N 1 3 332.536 3.400 10 0 EGAEHO C[C@H](NC(Cc1ccccc1F)Cc1ccccc1F)C1C[NH2+]C1 ZINC000422997551 309380138 /nfs/dbraw/zinc/38/01/38/309380138.db2.gz OGOAGEXSUKEZTC-AWEZNQCLSA-N 1 3 330.422 3.316 10 0 EGAEHO C[C@H]([NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CNC1 ZINC000422997551 309380139 /nfs/dbraw/zinc/38/01/39/309380139.db2.gz OGOAGEXSUKEZTC-AWEZNQCLSA-N 1 3 330.422 3.316 10 0 EGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423267270 309393245 /nfs/dbraw/zinc/39/32/45/309393245.db2.gz CQQGKLCYAZCQHF-VBQJREDUSA-N 1 3 337.305 3.414 10 0 EGAEHO COCC[N@H+](C)CCCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449036879 310031827 /nfs/dbraw/zinc/03/18/27/310031827.db2.gz LIIHLWCZWYOLFS-UHFFFAOYSA-N 1 3 345.487 3.398 10 0 EGAEHO COCC[N@@H+](C)CCCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449036879 310031828 /nfs/dbraw/zinc/03/18/28/310031828.db2.gz LIIHLWCZWYOLFS-UHFFFAOYSA-N 1 3 345.487 3.398 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000449168271 310041849 /nfs/dbraw/zinc/04/18/49/310041849.db2.gz CZGZYQHDBAEPAH-OPYAIIAOSA-N 1 3 329.532 3.154 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@]2(O)CCSC2)CC1 ZINC000449192052 310043459 /nfs/dbraw/zinc/04/34/59/310043459.db2.gz XVASNXCVEBEQJE-SFHVURJKSA-N 1 3 328.566 3.123 10 0 EGAEHO CCOC(=O)[C@H](C)[C@@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449242198 310047121 /nfs/dbraw/zinc/04/71/21/310047121.db2.gz WMSOTGZUUCACOC-RCCFBDPRSA-N 1 3 346.515 3.259 10 0 EGAEHO CC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027446 310253441 /nfs/dbraw/zinc/25/34/41/310253441.db2.gz VJADXVOARBQZPS-WOJBJXKFSA-N 1 3 330.516 3.380 10 0 EGAEHO CC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453027446 310253442 /nfs/dbraw/zinc/25/34/42/310253442.db2.gz VJADXVOARBQZPS-WOJBJXKFSA-N 1 3 330.516 3.380 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124902 310259617 /nfs/dbraw/zinc/25/96/17/310259617.db2.gz ITXZILBWDWWMSM-SJLPKXTDSA-N 1 3 344.503 3.095 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H]1CCCCO1 ZINC000507484749 312074554 /nfs/dbraw/zinc/07/45/54/312074554.db2.gz KDQJNXSVSJUPRP-OSTWSGHESA-N 1 3 328.500 3.444 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H]1CCCCO1 ZINC000507484752 312074685 /nfs/dbraw/zinc/07/46/85/312074685.db2.gz KDQJNXSVSJUPRP-YNWKUBOOSA-N 1 3 328.500 3.444 10 0 EGAEHO C[N@H+](CCNC1CCN(CCC(F)(F)F)CC1)C1CCCCC1 ZINC000507494775 312074913 /nfs/dbraw/zinc/07/49/13/312074913.db2.gz KRFJRMWMZNFOHF-UHFFFAOYSA-N 1 3 335.458 3.257 10 0 EGAEHO C[N@@H+](CCNC1CCN(CCC(F)(F)F)CC1)C1CCCCC1 ZINC000507494775 312074915 /nfs/dbraw/zinc/07/49/15/312074915.db2.gz KRFJRMWMZNFOHF-UHFFFAOYSA-N 1 3 335.458 3.257 10 0 EGAEHO CC[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)N1CCc2ccccc2C1 ZINC000514096580 312224640 /nfs/dbraw/zinc/22/46/40/312224640.db2.gz XBRNKNHNKCHSSI-CIAFKFPVSA-N 1 3 341.543 3.286 10 0 EGAEHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000529722829 313399427 /nfs/dbraw/zinc/39/94/27/313399427.db2.gz NDGRBGFMXLTWCO-XLIONFOSSA-N 1 3 347.547 3.164 10 0 EGAEHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000529722829 313399429 /nfs/dbraw/zinc/39/94/29/313399429.db2.gz NDGRBGFMXLTWCO-XLIONFOSSA-N 1 3 347.547 3.164 10 0 EGAEHO CN1CCC(C[NH2+]C(C2CCC2)C2CCC2)(N2CCCCC2)CC1 ZINC000555227009 315374053 /nfs/dbraw/zinc/37/40/53/315374053.db2.gz HWLBDRKMZRBWRN-UHFFFAOYSA-N 1 3 333.564 3.495 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000572129260 317295904 /nfs/dbraw/zinc/29/59/04/317295904.db2.gz NIIVVBBFASJNCF-ZDUSSCGKSA-N 1 3 326.469 3.458 10 0 EGAEHO C[C@H](CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)N(C)Cc1ccccc1 ZINC000580588973 325271710 /nfs/dbraw/zinc/27/17/10/325271710.db2.gz ZFUOEPFIVICZSD-CWJKEVGVSA-N 1 3 329.532 3.359 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000245441182 455300616 /nfs/dbraw/zinc/30/06/16/455300616.db2.gz VFJQAULGJMGZJF-YOEHRIQHSA-N 1 3 344.455 3.382 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000245441182 455300621 /nfs/dbraw/zinc/30/06/21/455300621.db2.gz VFJQAULGJMGZJF-YOEHRIQHSA-N 1 3 344.455 3.382 10 0 EGAEHO CN1CC[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475658 460570574 /nfs/dbraw/zinc/57/05/74/460570574.db2.gz WZCLUAWSLOGNPO-HUUCEWRRSA-N 1 3 330.394 3.201 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000163312193 454838724 /nfs/dbraw/zinc/83/87/24/454838724.db2.gz GSWKFFZBYFURQP-GOEBONIOSA-N 1 3 330.451 3.312 10 0 EGAEHO COCCOc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126530558 454900771 /nfs/dbraw/zinc/90/07/71/454900771.db2.gz HNQADLWQGAAETI-UXDRXVOSSA-N 1 3 332.488 3.378 10 0 EGAEHO COCCOc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126530558 454900774 /nfs/dbraw/zinc/90/07/74/454900774.db2.gz HNQADLWQGAAETI-UXDRXVOSSA-N 1 3 332.488 3.378 10 0 EGAEHO CN1CCCC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000623656100 460662636 /nfs/dbraw/zinc/66/26/36/460662636.db2.gz MYGJCYQIUSMDTJ-OAHLLOKOSA-N 1 3 330.394 3.449 10 0 EGAEHO CCN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180103907 455133013 /nfs/dbraw/zinc/13/30/13/455133013.db2.gz ALJBVAXOOVHTPK-VTHDOGFWSA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000180160470 455142034 /nfs/dbraw/zinc/14/20/34/455142034.db2.gz IQBNEOWUVRWBKG-FJTLRTSUSA-N 1 3 339.527 3.397 10 0 EGAEHO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180160941 455142326 /nfs/dbraw/zinc/14/23/26/455142326.db2.gz YDCAOSUNBYUWKH-RWFCPGHZSA-N 1 3 348.490 3.430 10 0 EGAEHO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OCc1ccccc1 ZINC000245636703 455345227 /nfs/dbraw/zinc/34/52/27/455345227.db2.gz WYFKJIIJQIJNJH-AZUAARDMSA-N 1 3 342.483 3.069 10 0 EGAEHO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OCc1ccccc1 ZINC000245636703 455345231 /nfs/dbraw/zinc/34/52/31/455345231.db2.gz WYFKJIIJQIJNJH-AZUAARDMSA-N 1 3 342.483 3.069 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000245746817 455371533 /nfs/dbraw/zinc/37/15/33/455371533.db2.gz SRDOTJUQADLQDH-MPJJRAAHSA-N 1 3 339.527 3.256 10 0 EGAEHO CC(=O)Nc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246078152 455422164 /nfs/dbraw/zinc/42/21/64/455422164.db2.gz HSDMHQLZJPRTSS-PXNSSMCTSA-N 1 3 327.472 3.094 10 0 EGAEHO CC(=O)Nc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246078152 455422167 /nfs/dbraw/zinc/42/21/67/455422167.db2.gz HSDMHQLZJPRTSS-PXNSSMCTSA-N 1 3 327.472 3.094 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184985169 455481224 /nfs/dbraw/zinc/48/12/24/455481224.db2.gz JRSOPIXJBCCHRA-UHFFFAOYSA-N 1 3 345.491 3.019 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184985169 455481229 /nfs/dbraw/zinc/48/12/29/455481229.db2.gz JRSOPIXJBCCHRA-UHFFFAOYSA-N 1 3 345.491 3.019 10 0 EGAEHO C[N@@H+]1CC[C@]2(CCN(CCC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292235703 455603707 /nfs/dbraw/zinc/60/37/07/455603707.db2.gz WEYONLLHEYRQSI-NRFANRHFSA-N 1 3 337.467 3.196 10 0 EGAEHO C[N@H+]1CC[C@]2(CCN(CCC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292235703 455603709 /nfs/dbraw/zinc/60/37/09/455603709.db2.gz WEYONLLHEYRQSI-NRFANRHFSA-N 1 3 337.467 3.196 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)CC1 ZINC000249064424 455743547 /nfs/dbraw/zinc/74/35/47/455743547.db2.gz QBDLZNGPYKBXGT-RBUKOAKNSA-N 1 3 333.520 3.469 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)CC1 ZINC000249064424 455743551 /nfs/dbraw/zinc/74/35/51/455743551.db2.gz QBDLZNGPYKBXGT-RBUKOAKNSA-N 1 3 333.520 3.469 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@](C)(O)c1ccsc1 ZINC000268973579 455750070 /nfs/dbraw/zinc/75/00/70/455750070.db2.gz IQFDSKBTIGZFPO-NSISKUIASA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@](C)(O)c1ccsc1 ZINC000268973579 455750073 /nfs/dbraw/zinc/75/00/73/455750073.db2.gz IQFDSKBTIGZFPO-NSISKUIASA-N 1 3 344.524 3.456 10 0 EGAEHO CN(C)Cc1ccc(-c2noc([C@@H](C[NH3+])c3ccc(F)cc3)n2)cc1 ZINC000261826151 455954680 /nfs/dbraw/zinc/95/46/80/455954680.db2.gz QWJYTYJCQIRERW-KRWDZBQOSA-N 1 3 340.402 3.028 10 0 EGAEHO CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)F ZINC000296642504 455998308 /nfs/dbraw/zinc/99/83/08/455998308.db2.gz YFCMSGINXARZOC-FLXSYLCISA-N 1 3 338.442 3.176 10 0 EGAEHO CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(F)F ZINC000296642504 455998313 /nfs/dbraw/zinc/99/83/13/455998313.db2.gz YFCMSGINXARZOC-FLXSYLCISA-N 1 3 338.442 3.176 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254498 456193715 /nfs/dbraw/zinc/19/37/15/456193715.db2.gz GFCYRROOVVDISN-BVSLBCMMSA-N 1 3 339.527 3.210 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@H](N3CC[C@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254498 456193721 /nfs/dbraw/zinc/19/37/21/456193721.db2.gz GFCYRROOVVDISN-BVSLBCMMSA-N 1 3 339.527 3.210 10 0 EGAEHO CN1CCC(C[NH2+]Cc2cccc3cc[nH]c32)(N2CCCCC2)CC1 ZINC000237065827 456226409 /nfs/dbraw/zinc/22/64/09/456226409.db2.gz DYQNAGCNRIDBCK-UHFFFAOYSA-N 1 3 340.515 3.208 10 0 EGAEHO CN1CC[C@@H]([NH2+]CCCN2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000340289019 456364834 /nfs/dbraw/zinc/36/48/34/456364834.db2.gz UBGJVXPZDVPDMW-MOPGFXCFSA-N 1 3 337.458 3.176 10 0 EGAEHO C[C@@H]1C[C@@H](NCCOc2ncccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000291035443 456504510 /nfs/dbraw/zinc/50/45/10/456504510.db2.gz AGWHMMLKCGWATL-AEFFLSMTSA-N 1 3 343.446 3.242 10 0 EGAEHO C[C@@H]1C[C@@H](NCCOc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000291035443 456504513 /nfs/dbraw/zinc/50/45/13/456504513.db2.gz AGWHMMLKCGWATL-AEFFLSMTSA-N 1 3 343.446 3.242 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(F)cc1Br ZINC000665282485 462382437 /nfs/dbraw/zinc/38/24/37/462382437.db2.gz ZCQFKENHUDPRHI-XHDPSFHLSA-N 1 3 331.273 3.482 10 0 EGAEHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000307946933 456572484 /nfs/dbraw/zinc/57/24/84/456572484.db2.gz LQGLYVFTASTBEA-HMQMGEFJSA-N 1 3 342.405 3.085 10 0 EGAEHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000307946933 456572491 /nfs/dbraw/zinc/57/24/91/456572491.db2.gz LQGLYVFTASTBEA-HMQMGEFJSA-N 1 3 342.405 3.085 10 0 EGAEHO CO[C@H](C)C[N@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C(C)C ZINC000353825497 456925033 /nfs/dbraw/zinc/92/50/33/456925033.db2.gz XUSCBZWOTPUQHT-GOSISDBHSA-N 1 3 347.547 3.462 10 0 EGAEHO CO[C@H](C)C[N@@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C(C)C ZINC000353825497 456925036 /nfs/dbraw/zinc/92/50/36/456925036.db2.gz XUSCBZWOTPUQHT-GOSISDBHSA-N 1 3 347.547 3.462 10 0 EGAEHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000356849524 457183156 /nfs/dbraw/zinc/18/31/56/457183156.db2.gz PRQNZINAWMEHGV-CQSZACIVSA-N 1 3 347.894 3.303 10 0 EGAEHO OC1(C[NH2+]C/C=C/c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000397621108 457490571 /nfs/dbraw/zinc/49/05/71/457490571.db2.gz WHERYXMOFTYGMN-KPKJPENVSA-N 1 3 336.479 3.317 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@H](C)OC)CC1 ZINC000361017416 457514980 /nfs/dbraw/zinc/51/49/80/457514980.db2.gz NHAFPMIOQODBGR-SFHVURJKSA-N 1 3 333.520 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@H](C)OC)CC1 ZINC000361017416 457514988 /nfs/dbraw/zinc/51/49/88/457514988.db2.gz NHAFPMIOQODBGR-SFHVURJKSA-N 1 3 333.520 3.075 10 0 EGAEHO Cn1nccc1-c1ccccc1CNCc1cccc(C[NH+](C)C)c1 ZINC000352753801 457583819 /nfs/dbraw/zinc/58/38/19/457583819.db2.gz GCXXZMIMAOPPON-UHFFFAOYSA-N 1 3 334.467 3.439 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511680 457763210 /nfs/dbraw/zinc/76/32/10/457763210.db2.gz URYNUQVEOGYRBN-KZNAEPCWSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361511680 457763213 /nfs/dbraw/zinc/76/32/13/457763213.db2.gz URYNUQVEOGYRBN-KZNAEPCWSA-N 1 3 335.536 3.020 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000436303912 458285640 /nfs/dbraw/zinc/28/56/40/458285640.db2.gz CQGBENOXPRMYRO-ZAWLATJESA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000436303912 458285645 /nfs/dbraw/zinc/28/56/45/458285645.db2.gz CQGBENOXPRMYRO-ZAWLATJESA-N 1 3 336.520 3.351 10 0 EGAEHO C[C@@H]1C[C@H](CCNCc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438691 458371698 /nfs/dbraw/zinc/37/16/98/458371698.db2.gz JIDCZEJHZPQFMS-MJGOQNOKSA-N 1 3 349.482 3.120 10 0 EGAEHO C[C@@H]1C[C@H](CCNCc2cn3cccnc3n2)C[N@H+]1Cc1ccccc1 ZINC000459438691 458371703 /nfs/dbraw/zinc/37/17/03/458371703.db2.gz JIDCZEJHZPQFMS-MJGOQNOKSA-N 1 3 349.482 3.120 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC12CCCCC2 ZINC000462467685 458622988 /nfs/dbraw/zinc/62/29/88/458622988.db2.gz JYSBWWZLRHAVBO-QGZVFWFLSA-N 1 3 347.547 3.022 10 0 EGAEHO C[C@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)C1=CCN(C)CC1 ZINC000530231229 458724713 /nfs/dbraw/zinc/72/47/13/458724713.db2.gz GSGGPJDNHAPFHM-RPCJCACASA-N 1 3 328.500 3.315 10 0 EGAEHO CCc1cccc(Cl)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248164 458730955 /nfs/dbraw/zinc/73/09/55/458730955.db2.gz HPNSFBFCFVVHNN-KRWDZBQOSA-N 1 3 336.907 3.493 10 0 EGAEHO C[C@@H](CCc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCOCC1 ZINC000629387371 460746694 /nfs/dbraw/zinc/74/66/94/460746694.db2.gz FTANQNSQSBEXDT-ZDUSSCGKSA-N 1 3 330.394 3.124 10 0 EGAEHO O=C(Nc1cccc2c1CCNC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000518195673 458848424 /nfs/dbraw/zinc/84/84/24/458848424.db2.gz ZKKQNTPPTLYDFJ-UHFFFAOYSA-N 1 3 349.478 3.127 10 0 EGAEHO CC(C)N1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566482130 458945223 /nfs/dbraw/zinc/94/52/23/458945223.db2.gz MMFBYRKSFZVOCM-LTDCPUDJSA-N 1 3 337.458 3.348 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864186 459024330 /nfs/dbraw/zinc/02/43/30/459024330.db2.gz CZASYIZCFXBYKZ-ZNMIVQPWSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864186 459024338 /nfs/dbraw/zinc/02/43/38/459024338.db2.gz CZASYIZCFXBYKZ-ZNMIVQPWSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864186 459024344 /nfs/dbraw/zinc/02/43/44/459024344.db2.gz CZASYIZCFXBYKZ-ZNMIVQPWSA-N 1 3 340.414 3.259 10 0 EGAEHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000556920973 459032409 /nfs/dbraw/zinc/03/24/09/459032409.db2.gz RNXIUZQYFBQDPQ-GIVPXCGWSA-N 1 3 329.532 3.361 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000578303782 459177342 /nfs/dbraw/zinc/17/73/42/459177342.db2.gz MOOJNTWZSFFLFI-ZOWXZIJZSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000578303782 459177347 /nfs/dbraw/zinc/17/73/47/459177347.db2.gz MOOJNTWZSFFLFI-ZOWXZIJZSA-N 1 3 343.393 3.010 10 0 EGAEHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000595021337 459218650 /nfs/dbraw/zinc/21/86/50/459218650.db2.gz CFJVAGGUTVCPHD-IRXDYDNUSA-N 1 3 326.525 3.312 10 0 EGAEHO COc1ccc(CN2CC[C@H]2CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000527965513 459784450 /nfs/dbraw/zinc/78/44/50/459784450.db2.gz DVTFKQPQIWYDRV-IBGZPJMESA-N 1 3 345.531 3.122 10 0 EGAEHO COc1ccc(CN2CC[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000527965513 459784454 /nfs/dbraw/zinc/78/44/54/459784454.db2.gz DVTFKQPQIWYDRV-IBGZPJMESA-N 1 3 345.531 3.122 10 0 EGAEHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014590 459797115 /nfs/dbraw/zinc/79/71/15/459797115.db2.gz QIEVRUZKJJRTOU-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014590 459797116 /nfs/dbraw/zinc/79/71/16/459797116.db2.gz QIEVRUZKJJRTOU-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(c1ccccc1CN1CC(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000621740463 460043407 /nfs/dbraw/zinc/04/34/07/460043407.db2.gz RFECIULTTNYXDZ-UHFFFAOYSA-N 1 3 327.516 3.449 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000628481309 460434492 /nfs/dbraw/zinc/43/44/92/460434492.db2.gz XDRBGPUVXUWALF-LJQANCHMSA-N 1 3 340.467 3.322 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000628481309 460434501 /nfs/dbraw/zinc/43/45/01/460434501.db2.gz XDRBGPUVXUWALF-LJQANCHMSA-N 1 3 340.467 3.322 10 0 EGAEHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339173 460495764 /nfs/dbraw/zinc/49/57/64/460495764.db2.gz NIRXNHKQUYCXBI-ICSRJNTNSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339173 460495769 /nfs/dbraw/zinc/49/57/69/460495769.db2.gz NIRXNHKQUYCXBI-ICSRJNTNSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccc([C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N2CCCC2)cc1 ZINC000623339173 460495774 /nfs/dbraw/zinc/49/57/74/460495774.db2.gz NIRXNHKQUYCXBI-ICSRJNTNSA-N 1 3 345.531 3.295 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1(C)C ZINC000623400607 460528540 /nfs/dbraw/zinc/52/85/40/460528540.db2.gz ZPJIEKWXKYHZSM-PMACEKPBSA-N 1 3 329.532 3.013 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1(C)C ZINC000623400609 460529463 /nfs/dbraw/zinc/52/94/63/460529463.db2.gz ZPJIEKWXKYHZSM-VQTJNVASSA-N 1 3 329.532 3.013 10 0 EGAEHO COc1ccc(C(C)C)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591969 460819169 /nfs/dbraw/zinc/81/91/69/460819169.db2.gz WSSKBFRYRKZSNQ-HXUWFJFHSA-N 1 3 346.515 3.409 10 0 EGAEHO Clc1ccc(CN(C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1Cl ZINC000662252512 461145173 /nfs/dbraw/zinc/14/51/73/461145173.db2.gz NMNYROFMLMVZOM-CQSZACIVSA-N 1 3 341.282 3.479 10 0 EGAEHO CCN(CCOc1ccccc1OC)Cc1cccc2c1CC[NH2+]C2 ZINC000662324399 461193022 /nfs/dbraw/zinc/19/30/22/461193022.db2.gz XAEGAEACZWCFLA-UHFFFAOYSA-N 1 3 340.467 3.242 10 0 EGAEHO CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)CC(C)C ZINC000662493116 461269043 /nfs/dbraw/zinc/26/90/43/461269043.db2.gz FUICQGFUOLMLLL-IEBWSBKVSA-N 1 3 331.504 3.094 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662826192 461384144 /nfs/dbraw/zinc/38/41/44/461384144.db2.gz WCVKXFFZOFAFHS-KRWDZBQOSA-N 1 3 347.547 3.164 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662826192 461384152 /nfs/dbraw/zinc/38/41/52/461384152.db2.gz WCVKXFFZOFAFHS-KRWDZBQOSA-N 1 3 347.547 3.164 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000655813524 461469779 /nfs/dbraw/zinc/46/97/79/461469779.db2.gz ZGAHOEAHSZWCCS-PMACEKPBSA-N 1 3 332.488 3.064 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccnn2-c2ccccn2)C1 ZINC000647171323 461540989 /nfs/dbraw/zinc/54/09/89/461540989.db2.gz FXVFFUUNQSTGSW-QZTJIDSGSA-N 1 3 341.503 3.115 10 0 EGAEHO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249169 461589557 /nfs/dbraw/zinc/58/95/57/461589557.db2.gz GMSBBPYOEMOQET-UXHICEINSA-N 1 3 326.488 3.207 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000650719521 461911706 /nfs/dbraw/zinc/91/17/06/461911706.db2.gz SIIAZKGHIMMANP-CQSZACIVSA-N 1 3 329.419 3.052 10 0 EGAEHO COC[C@H](CCC[NH3+])NCc1cccc(Oc2ccccc2F)c1 ZINC000650740148 461928249 /nfs/dbraw/zinc/92/82/49/461928249.db2.gz HMMXZNSZLKHJNU-INIZCTEOSA-N 1 3 332.419 3.462 10 0 EGAEHO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc(OCCN(C)C)c1 ZINC000650750820 461932980 /nfs/dbraw/zinc/93/29/80/461932980.db2.gz LPGZMLVDSGJAME-APWZRJJASA-N 1 3 339.483 3.314 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000650757212 461937057 /nfs/dbraw/zinc/93/70/57/461937057.db2.gz RNQZIMSFOAMAGW-NRFANRHFSA-N 1 3 349.482 3.227 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(SC)c3)CC2)CC1 ZINC000660835224 461991723 /nfs/dbraw/zinc/99/17/23/461991723.db2.gz SWAVPDSFBNUWCU-UHFFFAOYSA-N 1 3 347.572 3.401 10 0 EGAEHO CCN1CCC([N@H+]2CCCN(Cc3cccc(SC)c3)CC2)CC1 ZINC000660835224 461991726 /nfs/dbraw/zinc/99/17/26/461991726.db2.gz SWAVPDSFBNUWCU-UHFFFAOYSA-N 1 3 347.572 3.401 10 0 EGAEHO CC[NH+]1CCC(N2CCCN(Cc3cccc(SC)c3)CC2)CC1 ZINC000660835224 461991729 /nfs/dbraw/zinc/99/17/29/461991729.db2.gz SWAVPDSFBNUWCU-UHFFFAOYSA-N 1 3 347.572 3.401 10 0 EGAEHO CCN(CC)[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)c1ccccc1 ZINC000657286813 462018634 /nfs/dbraw/zinc/01/86/34/462018634.db2.gz RUWLHUHSZOKKIF-NRFANRHFSA-N 1 3 349.482 3.440 10 0 EGAEHO CC[NH+](CC)[C@@H](CNCc1ccnn1-c1ccncc1)c1ccccc1 ZINC000657286813 462018644 /nfs/dbraw/zinc/01/86/44/462018644.db2.gz RUWLHUHSZOKKIF-NRFANRHFSA-N 1 3 349.482 3.440 10 0 EGAEHO Cc1ccc2cc(CNCc3ccnc(OCC[NH+](C)C)c3)[nH]c2c1 ZINC000657422532 462113411 /nfs/dbraw/zinc/11/34/11/462113411.db2.gz WXFNRYYTSZFWFM-UHFFFAOYSA-N 1 3 338.455 3.102 10 0 EGAEHO COc1ccc(F)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657613629 462203970 /nfs/dbraw/zinc/20/39/70/462203970.db2.gz ONLNPPUKVXYLNT-UHFFFAOYSA-N 1 3 343.446 3.231 10 0 EGAEHO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)CCO1 ZINC000648739618 462254772 /nfs/dbraw/zinc/25/47/72/462254772.db2.gz GJSSLVRUQFUSMX-QUCCMNQESA-N 1 3 334.504 3.168 10 0 EGAEHO COC[C@@H](CC1CCOCC1)NCCC[N@H+](C)C1CCCCC1 ZINC000657829178 462286604 /nfs/dbraw/zinc/28/66/04/462286604.db2.gz AAJWLYCKNNCYQE-GOSISDBHSA-N 1 3 326.525 3.062 10 0 EGAEHO COC[C@@H](CC1CCOCC1)NCCC[N@@H+](C)C1CCCCC1 ZINC000657829178 462286611 /nfs/dbraw/zinc/28/66/11/462286611.db2.gz AAJWLYCKNNCYQE-GOSISDBHSA-N 1 3 326.525 3.062 10 0 EGAEHO C[N@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC(C)(C)CC(C)(C)C1 ZINC000661532241 462297114 /nfs/dbraw/zinc/29/71/14/462297114.db2.gz RGTKDFXTOYLPFP-UHFFFAOYSA-N 1 3 349.563 3.266 10 0 EGAEHO C[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)C1CC(C)(C)CC(C)(C)C1 ZINC000661532241 462297118 /nfs/dbraw/zinc/29/71/18/462297118.db2.gz RGTKDFXTOYLPFP-UHFFFAOYSA-N 1 3 349.563 3.266 10 0 EGAEHO CN1CCN(CCCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676840 462298618 /nfs/dbraw/zinc/29/86/18/462298618.db2.gz PKIQLDZGPMARJE-INIZCTEOSA-N 1 3 339.886 3.084 10 0 EGAEHO COc1ccccc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658068994 462366335 /nfs/dbraw/zinc/36/63/35/462366335.db2.gz IXRRTARKJSMVBR-MRXNPFEDSA-N 1 3 332.488 3.237 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)COc1c(F)cccc1F ZINC000665261786 462375620 /nfs/dbraw/zinc/37/56/20/462375620.db2.gz LHTLMCJTEGOMNL-RYUDHWBXSA-N 1 3 335.398 3.245 10 0 EGAEHO COc1ccc([C@H](Cc2ccncc2)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281924 462382899 /nfs/dbraw/zinc/38/28/99/462382899.db2.gz MIFIRNWZEYVKTL-UXHICEINSA-N 1 3 327.472 3.337 10 0 EGAEHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2csc(Cl)c2)CC1 ZINC000665289848 462387730 /nfs/dbraw/zinc/38/77/30/462387730.db2.gz YVCIBSZJALNROI-LBPRGKRZSA-N 1 3 343.924 3.043 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)cc2)C1 ZINC000658135662 462399431 /nfs/dbraw/zinc/39/94/31/462399431.db2.gz AGKZVUHYXYFIII-QHAWAJNXSA-N 1 3 328.500 3.312 10 0 EGAEHO COc1ccsc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138461 462401499 /nfs/dbraw/zinc/40/14/99/462401499.db2.gz NUHXMMSMYUJJAS-RHSMWYFYSA-N 1 3 346.496 3.174 10 0 EGAEHO COc1ccsc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138461 462401501 /nfs/dbraw/zinc/40/15/01/462401501.db2.gz NUHXMMSMYUJJAS-RHSMWYFYSA-N 1 3 346.496 3.174 10 0 EGAEHO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139637 462403822 /nfs/dbraw/zinc/40/38/22/462403822.db2.gz QQHMGPWBNYHEIZ-CZUORRHYSA-N 1 3 330.394 3.074 10 0 EGAEHO COC1(C[C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000658168421 462415887 /nfs/dbraw/zinc/41/58/87/462415887.db2.gz WZHVIEFGNAZZRJ-KRWDZBQOSA-N 1 3 331.504 3.231 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC000646002178 462492753 /nfs/dbraw/zinc/49/27/53/462492753.db2.gz SYDREHXFNBUDAH-UHFFFAOYSA-N 1 3 333.495 3.211 10 0 EGAEHO CC[NH+](CC)CC1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000343557893 535496338 /nfs/dbraw/zinc/49/63/38/535496338.db2.gz RETBNHGHFGVJRD-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000356859341 535889293 /nfs/dbraw/zinc/88/92/93/535889293.db2.gz XTVOUSMCOHZDMK-PMACEKPBSA-N 1 3 343.515 3.036 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000339067059 547569028 /nfs/dbraw/zinc/56/90/28/547569028.db2.gz DXWSEZKRTLFARP-VXIBKDFQSA-N 1 3 333.545 3.347 10 0 EGAEHO CN1CCC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000339067059 547569031 /nfs/dbraw/zinc/56/90/31/547569031.db2.gz DXWSEZKRTLFARP-VXIBKDFQSA-N 1 3 333.545 3.347 10 0 EGAEHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871243 548995710 /nfs/dbraw/zinc/99/57/10/548995710.db2.gz CGNNWRWZXKQJPM-ZBFHGGJFSA-N 1 3 333.545 3.056 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000680004137 549804933 /nfs/dbraw/zinc/80/49/33/549804933.db2.gz YUDGLPMJUCLISP-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000680004137 549804935 /nfs/dbraw/zinc/80/49/35/549804935.db2.gz YUDGLPMJUCLISP-HXUWFJFHSA-N 1 3 345.531 3.220 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@H](c4ccccc4)C3)C2)CC1 ZINC000681976531 550056733 /nfs/dbraw/zinc/05/67/33/550056733.db2.gz XMJSASCVDPEZQK-UFYCRDLUSA-N 1 3 327.516 3.081 10 0 EGAEHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CCCCCC[NH3+] ZINC000872154867 1296772227 /nfs/dbraw/zinc/77/22/27/1296772227.db2.gz CRSZXFUDVHGJCW-HZPDHXFCSA-N 1 3 337.533 3.251 10 0 EGAEHO Cc1nn(C)cc1CN1CCC(Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000581810106 1298017925 /nfs/dbraw/zinc/01/79/25/1298017925.db2.gz WCPKCGCPPOXXRS-UHFFFAOYSA-N 1 3 340.515 3.245 10 0 EGAEHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535621 1325195871 /nfs/dbraw/zinc/19/58/71/1325195871.db2.gz ZVSFNFIADXDNKR-KCPJHIHWSA-N 1 3 339.277 3.076 10 0 EGAEHO CC(C)(CNC(=O)OC(C)(C)C)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000895671557 1309458704 /nfs/dbraw/zinc/45/87/04/1309458704.db2.gz QOVXQLUPYYENQM-UHFFFAOYSA-N 1 3 339.524 3.098 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110688 1328685456 /nfs/dbraw/zinc/68/54/56/1328685456.db2.gz YCRUXRLAOXNTJD-IUODEOHRSA-N 1 3 330.394 3.201 10 0 EGAEHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913397565 1319025729 /nfs/dbraw/zinc/02/57/29/1319025729.db2.gz MIGLLXNTXKBBMA-UHFFFAOYSA-N 1 3 343.471 3.051 10 0 EGAEHO CCC1([NH+](C)C)CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000913661279 1319089523 /nfs/dbraw/zinc/08/95/23/1319089523.db2.gz HAJZFHHQGLCDQN-UHFFFAOYSA-N 1 3 342.487 3.237 10 0 EGAEHO CN(C)[C@@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C(F)(F)F ZINC000922754881 1322610781 /nfs/dbraw/zinc/61/07/81/1322610781.db2.gz PAIAXAQPRKADBV-INIZCTEOSA-N 1 3 335.458 3.256 10 0 EGAEHO c1ccc2c(c1)NC[C@H]2C[C@@H]1COCCN1CCCC1CC[NH2+]CC1 ZINC000923553900 1322776394 /nfs/dbraw/zinc/77/63/94/1322776394.db2.gz WRKUVHCABHWTKF-RTBURBONSA-N 1 3 343.515 3.066 10 0 EGAEHO CCSc1ccccc1C[C@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000924657550 1323097199 /nfs/dbraw/zinc/09/71/99/1323097199.db2.gz HIEZNPOFFURBAK-SFHVURJKSA-N 1 3 349.588 3.347 10 0 EGAEHO C[NH+](C)C1(C)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000931351008 1329100024 /nfs/dbraw/zinc/10/00/24/1329100024.db2.gz DMYYDWLYVBJERX-UHFFFAOYSA-N 1 3 339.524 3.050 10 0 EGAEHO CN(C)C1(C)CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000931351008 1329100026 /nfs/dbraw/zinc/10/00/26/1329100026.db2.gz DMYYDWLYVBJERX-UHFFFAOYSA-N 1 3 339.524 3.050 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCC2)c1 ZINC000925440382 1325150522 /nfs/dbraw/zinc/15/05/22/1325150522.db2.gz RDYUTCDWZXAFBT-IXDOHACOSA-N 1 3 334.508 3.148 10 0 EGAEHO c1cn(-c2ccccc2)nc1CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925550741 1325203353 /nfs/dbraw/zinc/20/33/53/1325203353.db2.gz OBRARMHCIQDMHT-LEWJYISDSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925550741 1325203360 /nfs/dbraw/zinc/20/33/60/1325203360.db2.gz OBRARMHCIQDMHT-LEWJYISDSA-N 1 3 338.499 3.173 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925551855 1325205171 /nfs/dbraw/zinc/20/51/71/1325205171.db2.gz UFQGNZVYBUDNCA-ZIAGYGMSSA-N 1 3 337.895 3.473 10 0 EGAEHO COc1cc([C@H](C)N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553818 1325206183 /nfs/dbraw/zinc/20/61/83/1325206183.db2.gz SAIZBCKVKCNJIJ-QEJZJMRPSA-N 1 3 336.476 3.269 10 0 EGAEHO Cc1ccccc1C1(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CCOCC1 ZINC000925558156 1325208050 /nfs/dbraw/zinc/20/80/50/1325208050.db2.gz NVGKNQHTMSHRFA-HOJAQTOUSA-N 1 3 342.527 3.409 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925600375 1325228696 /nfs/dbraw/zinc/22/86/96/1325228696.db2.gz VNUSWSZIAFWBPB-HOTGVXAUSA-N 1 3 333.545 3.322 10 0 EGAEHO C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925600375 1325228704 /nfs/dbraw/zinc/22/87/04/1325228704.db2.gz VNUSWSZIAFWBPB-HOTGVXAUSA-N 1 3 333.545 3.322 10 0 EGAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@H]3Cc4c(cccc4Br)[C@@H]13)[NH2+]2 ZINC000925724121 1325270789 /nfs/dbraw/zinc/27/07/89/1325270789.db2.gz GTFIUQHVMKFDOW-IUXVIFHVSA-N 1 3 347.300 3.206 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000925784470 1325300135 /nfs/dbraw/zinc/30/01/35/1325300135.db2.gz RZWDWMQIAWGGTK-RDJZCZTQSA-N 1 3 336.426 3.223 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925881564 1325341274 /nfs/dbraw/zinc/34/12/74/1325341274.db2.gz UHPCQVANBNXYDV-XOBRGWDASA-N 1 3 325.456 3.203 10 0 EGAEHO Cn1nc(CNCC2(c3ccccc3)CC[NH+](C)CC2)c2ccccc21 ZINC000865773547 1329736943 /nfs/dbraw/zinc/73/69/43/1329736943.db2.gz CVPAYUBTVJNFLQ-UHFFFAOYSA-N 1 3 348.494 3.327 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CC(C)C3)C2)C1 ZINC001324556524 1387672668 /nfs/dbraw/zinc/67/26/68/1387672668.db2.gz IAIIGELQIRTQOJ-GZNCHQMQSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC(C)C3)C2)C1 ZINC001324556524 1387672671 /nfs/dbraw/zinc/67/26/71/1387672671.db2.gz IAIIGELQIRTQOJ-GZNCHQMQSA-N 1 3 349.563 3.079 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001326512635 1388225063 /nfs/dbraw/zinc/22/50/63/1388225063.db2.gz JLNRJELRKGLSSW-MKXGPGLRSA-N 1 3 337.552 3.170 10 0 EGAEHO CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001326604917 1388256583 /nfs/dbraw/zinc/25/65/83/1388256583.db2.gz YDXCKFZNMDTIEU-IBGZPJMESA-N 1 3 349.563 3.366 10 0 EGAEHO CCCC1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC001326789454 1388312374 /nfs/dbraw/zinc/31/23/74/1388312374.db2.gz DHPLHEQMFJAJDT-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001327245777 1388461949 /nfs/dbraw/zinc/46/19/49/1388461949.db2.gz QDVAIFRGYLZGCS-UYAOXDASSA-N 1 3 345.531 3.239 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001327245777 1388461952 /nfs/dbraw/zinc/46/19/52/1388461952.db2.gz QDVAIFRGYLZGCS-UYAOXDASSA-N 1 3 345.531 3.239 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001264122067 1377140009 /nfs/dbraw/zinc/14/00/09/1377140009.db2.gz FUFSKVJGENOSFF-MOPGFXCFSA-N 1 3 337.552 3.269 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707990 1377163305 /nfs/dbraw/zinc/16/33/05/1377163305.db2.gz IEFNDHQLXVKDAJ-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707990 1377163308 /nfs/dbraw/zinc/16/33/08/1377163308.db2.gz IEFNDHQLXVKDAJ-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001266361259 1377295938 /nfs/dbraw/zinc/29/59/38/1377295938.db2.gz JXTIZOHODFOVQQ-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001266361259 1377295939 /nfs/dbraw/zinc/29/59/39/1377295939.db2.gz JXTIZOHODFOVQQ-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693654 1377564655 /nfs/dbraw/zinc/56/46/55/1377564655.db2.gz XQNUGSYEBOOTSH-BBIZLLLXSA-N 1 3 344.503 3.013 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693654 1377564662 /nfs/dbraw/zinc/56/46/62/1377564662.db2.gz XQNUGSYEBOOTSH-BBIZLLLXSA-N 1 3 344.503 3.013 10 0 EGAEHO CN(C)C1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC1 ZINC001137586600 1377568474 /nfs/dbraw/zinc/56/84/74/1377568474.db2.gz VJSBIJQQCNYBDA-UHFFFAOYSA-N 1 3 329.488 3.138 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN(C)C(C)C)c(C)c1 ZINC001272344198 1377666317 /nfs/dbraw/zinc/66/63/17/1377666317.db2.gz RSTUZTMQTSROOK-VQTJNVASSA-N 1 3 345.531 3.018 10 0 EGAEHO Cc1cc(CNC/C=C\CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413813 1378124423 /nfs/dbraw/zinc/12/44/23/1378124423.db2.gz ORXGEMUXQBUGAZ-KEGWNNHHSA-N 1 3 349.544 3.083 10 0 EGAEHO C[C@H](CCC[NH2+]CC1CCC(C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001277209876 1378210994 /nfs/dbraw/zinc/21/09/94/1378210994.db2.gz HPIPGQYFBXGFBA-LXPRWKDFSA-N 1 3 337.552 3.172 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541958 1388556379 /nfs/dbraw/zinc/55/63/79/1388556379.db2.gz SKBBLQMOGVLZBN-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H](NCC1(NC(=O)CC[NH+](C)C)CCCCC1)c1ccccc1F ZINC001282619438 1378518527 /nfs/dbraw/zinc/51/85/27/1378518527.db2.gz UQKGIIUWDFSXPJ-INIZCTEOSA-N 1 3 349.494 3.247 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541958 1388556375 /nfs/dbraw/zinc/55/63/75/1388556375.db2.gz SKBBLQMOGVLZBN-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(CC2=CCCCC2)C1 ZINC001282744602 1378595658 /nfs/dbraw/zinc/59/56/58/1378595658.db2.gz LCQBPZHOIRBFIZ-GOSISDBHSA-N 1 3 347.547 3.189 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)c(C)c1 ZINC001283937193 1379287032 /nfs/dbraw/zinc/28/70/32/1379287032.db2.gz ATCRZHYBIKBSOX-UYAOXDASSA-N 1 3 345.531 3.031 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CC1(C)C ZINC001284309474 1379698078 /nfs/dbraw/zinc/69/80/78/1379698078.db2.gz JKQJXVAOTNJJRO-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)c1 ZINC001284558946 1379968483 /nfs/dbraw/zinc/96/84/83/1379968483.db2.gz QFYLYFDKMHICSD-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO Cc1cc(C)cc(C[N@H+](C)CCN(C(=O)CN2CCCC2)C(C)C)c1 ZINC001284558946 1379968484 /nfs/dbraw/zinc/96/84/84/1379968484.db2.gz QFYLYFDKMHICSD-UHFFFAOYSA-N 1 3 345.531 3.068 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001328460146 1388751480 /nfs/dbraw/zinc/75/14/80/1388751480.db2.gz ZDYWMOZMGCDFDR-ICSRJNTNSA-N 1 3 345.531 3.162 10 0 EGAEHO CC(C)(C)CC[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001328859203 1388889194 /nfs/dbraw/zinc/88/91/94/1388889194.db2.gz KWEFFLDEZNLOHI-UHFFFAOYSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601460 1384468186 /nfs/dbraw/zinc/46/81/86/1384468186.db2.gz PWDQUSPNVGNYPW-QZTJIDSGSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001316601460 1384468187 /nfs/dbraw/zinc/46/81/87/1384468187.db2.gz PWDQUSPNVGNYPW-QZTJIDSGSA-N 1 3 337.552 3.076 10 0 EGAEHO Cc1cccc([C@@H](C)[NH+]2CCC(N(C)C(=O)CN(C)C(C)C)CC2)c1 ZINC001316937059 1384708862 /nfs/dbraw/zinc/70/88/62/1384708862.db2.gz JFTSNMHUNNPLPP-GOSISDBHSA-N 1 3 345.531 3.319 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001317345476 1385095914 /nfs/dbraw/zinc/09/59/14/1385095914.db2.gz AUCYRFXTLHKUBM-VOFKWLDRSA-N 1 3 343.515 3.156 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001317346482 1385096683 /nfs/dbraw/zinc/09/66/83/1385096683.db2.gz VMVVCZCMQKXMDR-MOPGFXCFSA-N 1 3 345.531 3.143 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514152 1385228267 /nfs/dbraw/zinc/22/82/67/1385228267.db2.gz UWCRLURBRPYPTG-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1)N1CCCC1 ZINC001317514152 1385228268 /nfs/dbraw/zinc/22/82/68/1385228268.db2.gz UWCRLURBRPYPTG-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC[N@H+](CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001317552301 1385313673 /nfs/dbraw/zinc/31/36/73/1385313673.db2.gz RHIKYOUSFGJHJR-IBGZPJMESA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC[N@@H+](CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001317552301 1385313679 /nfs/dbraw/zinc/31/36/79/1385313679.db2.gz RHIKYOUSFGJHJR-IBGZPJMESA-N 1 3 349.563 3.124 10 0 EGAEHO CCCC[NH2+][C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001317725329 1385425128 /nfs/dbraw/zinc/42/51/28/1385425128.db2.gz SIHOHXVESRQQJJ-QUCCMNQESA-N 1 3 345.531 3.498 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001317972608 1385593962 /nfs/dbraw/zinc/59/39/62/1385593962.db2.gz IDPMIWREUGYCBB-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1)N(C)C ZINC001317972608 1385593969 /nfs/dbraw/zinc/59/39/69/1385593969.db2.gz IDPMIWREUGYCBB-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001318374463 1385659782 /nfs/dbraw/zinc/65/97/82/1385659782.db2.gz SQYJEZHOUSDMAW-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCC1 ZINC001318374463 1385659788 /nfs/dbraw/zinc/65/97/88/1385659788.db2.gz SQYJEZHOUSDMAW-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCC1 ZINC001698635694 1406281123 /nfs/dbraw/zinc/28/11/23/1406281123.db2.gz CBFDFHODVUNYJC-HDICACEKSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001698636784 1406282166 /nfs/dbraw/zinc/28/21/66/1406282166.db2.gz WJXUNEKTRHMMPR-UHFFFAOYSA-N 1 3 337.552 3.316 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001319710102 1386263531 /nfs/dbraw/zinc/26/35/31/1386263531.db2.gz RHQXENHNXGVVOI-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001319809420 1386307948 /nfs/dbraw/zinc/30/79/48/1386307948.db2.gz NHJMWNGPXDPFOX-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001319968705 1386425164 /nfs/dbraw/zinc/42/51/64/1386425164.db2.gz PTDVZDHGCSJFIM-SFHVURJKSA-N 1 3 345.487 3.003 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1)N(C)C ZINC001698670953 1406320382 /nfs/dbraw/zinc/32/03/82/1406320382.db2.gz BVYZAOGYNQOVJE-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001698693496 1406338055 /nfs/dbraw/zinc/33/80/55/1406338055.db2.gz AKJTVXYZTOKCFZ-QZTJIDSGSA-N 1 3 339.568 3.229 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001322308259 1387152937 /nfs/dbraw/zinc/15/29/37/1387152937.db2.gz VQUHMWGIDIKENR-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001322308259 1387152938 /nfs/dbraw/zinc/15/29/38/1387152938.db2.gz VQUHMWGIDIKENR-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001329818570 1389230539 /nfs/dbraw/zinc/23/05/39/1389230539.db2.gz KXMKVGMAHSXFOV-MSOLQXFVSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001698726874 1406377316 /nfs/dbraw/zinc/37/73/16/1406377316.db2.gz IXKFHZVAZZIJFX-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCCC[C@H]1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001339443101 1390031239 /nfs/dbraw/zinc/03/12/39/1390031239.db2.gz ACJXKXCXJIIMNP-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001332960481 1390225157 /nfs/dbraw/zinc/22/51/57/1390225157.db2.gz VAIUIHIZBCKVHX-RTBURBONSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@@H](C(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1)N(C)C ZINC001333180771 1390262148 /nfs/dbraw/zinc/26/21/48/1390262148.db2.gz SNTODDPJZLWRIK-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[N@H+]1CC=C(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001333459130 1390309149 /nfs/dbraw/zinc/30/91/49/1390309149.db2.gz YJUSCZYFSXQHJV-ROUUACIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CCC[N@@H+]1CC=C(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001333459130 1390309155 /nfs/dbraw/zinc/30/91/55/1390309155.db2.gz YJUSCZYFSXQHJV-ROUUACIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC001486481084 1391011012 /nfs/dbraw/zinc/01/10/12/1391011012.db2.gz ZKJIVOJYPSUBLV-AFMYVXGZSA-N 1 3 345.531 3.229 10 0 EGAEHO CC(C)CCC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001698804509 1406484181 /nfs/dbraw/zinc/48/41/81/1406484181.db2.gz VQZKAMLPVLWEFY-HDICACEKSA-N 1 3 337.552 3.314 10 0 EGAEHO CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001479249162 1392199458 /nfs/dbraw/zinc/19/94/58/1392199458.db2.gz FCJQPHPFCITLQO-MJGOQNOKSA-N 1 3 337.552 3.220 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001479478886 1392252723 /nfs/dbraw/zinc/25/27/23/1392252723.db2.gz FOAUYFHOUNPWHL-ODNCXDDGSA-N 1 3 349.563 3.482 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001479815301 1392407510 /nfs/dbraw/zinc/40/75/10/1392407510.db2.gz GFNFMNOKVWLYKZ-QUCCMNQESA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001479815301 1392407512 /nfs/dbraw/zinc/40/75/12/1392407512.db2.gz GFNFMNOKVWLYKZ-QUCCMNQESA-N 1 3 345.531 3.369 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21)CC(C)(C)C ZINC001480190245 1392619671 /nfs/dbraw/zinc/61/96/71/1392619671.db2.gz YOPOVCKDUQHLMC-RTBURBONSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21)CC(C)(C)C ZINC001480190245 1392619672 /nfs/dbraw/zinc/61/96/72/1392619672.db2.gz YOPOVCKDUQHLMC-RTBURBONSA-N 1 3 349.563 3.077 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272717 1392656057 /nfs/dbraw/zinc/65/60/57/1392656057.db2.gz YLOPOJFYKGNFLS-ICSRJNTNSA-N 1 3 345.531 3.306 10 0 EGAEHO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001480272717 1392656063 /nfs/dbraw/zinc/65/60/63/1392656063.db2.gz YLOPOJFYKGNFLS-ICSRJNTNSA-N 1 3 345.531 3.306 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC001480366541 1392709410 /nfs/dbraw/zinc/70/94/10/1392709410.db2.gz ALZSCVRSRSVSFK-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001480409826 1392745905 /nfs/dbraw/zinc/74/59/05/1392745905.db2.gz UKXIAWHGKAYFOL-IPBNWZBTSA-N 1 3 341.927 3.019 10 0 EGAEHO CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001480830433 1392970165 /nfs/dbraw/zinc/97/01/65/1392970165.db2.gz VZUIVTMSRJZMET-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001480830433 1392970169 /nfs/dbraw/zinc/97/01/69/1392970169.db2.gz VZUIVTMSRJZMET-RBUKOAKNSA-N 1 3 337.552 3.410 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001480952207 1393043518 /nfs/dbraw/zinc/04/35/18/1393043518.db2.gz ZOUKCJBTHGKFBE-ICSRJNTNSA-N 1 3 345.531 3.287 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001480952207 1393043521 /nfs/dbraw/zinc/04/35/21/1393043521.db2.gz ZOUKCJBTHGKFBE-ICSRJNTNSA-N 1 3 345.531 3.287 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058779 1393109209 /nfs/dbraw/zinc/10/92/09/1393109209.db2.gz ZPDAITLJBZWJFM-RTBURBONSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058779 1393109210 /nfs/dbraw/zinc/10/92/10/1393109210.db2.gz ZPDAITLJBZWJFM-RTBURBONSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939210 1406679146 /nfs/dbraw/zinc/67/91/46/1406679146.db2.gz OWKPYUXQAZFNRJ-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001490618969 1394285953 /nfs/dbraw/zinc/28/59/53/1394285953.db2.gz SGBWFSWMOJFFFX-SFHVURJKSA-N 1 3 349.563 3.221 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001698946994 1406687010 /nfs/dbraw/zinc/68/70/10/1406687010.db2.gz RCVDHHNAQJBLMQ-FYVKXAJJSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1cccc(Cl)c1 ZINC001491025651 1394399729 /nfs/dbraw/zinc/39/97/29/1394399729.db2.gz KSGHYWYISWYERA-XYPHTWIQSA-N 1 3 349.906 3.122 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001491189601 1394463979 /nfs/dbraw/zinc/46/39/79/1394463979.db2.gz COXZLRLNVRLJFJ-MOPGFXCFSA-N 1 3 345.531 3.224 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812036 1394541033 /nfs/dbraw/zinc/54/10/33/1394541033.db2.gz ZHHCRLRUFXIOCJ-OALUTQOASA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001482027591 1394687020 /nfs/dbraw/zinc/68/70/20/1394687020.db2.gz IYBPZDMRMQZXHF-FHWLQOOXSA-N 1 3 345.531 3.413 10 0 EGAEHO C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001482331942 1394901385 /nfs/dbraw/zinc/90/13/85/1394901385.db2.gz WHWASLCPCISFFQ-HGZMWJMZSA-N 1 3 345.531 3.114 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1)N(C)C ZINC001482354668 1394918360 /nfs/dbraw/zinc/91/83/60/1394918360.db2.gz SZADAIFXZUQYAA-VQIMIIECSA-N 1 3 333.520 3.087 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001482432719 1394993179 /nfs/dbraw/zinc/99/31/79/1394993179.db2.gz IDALENXPZUTOLV-DLBZAZTESA-N 1 3 339.568 3.227 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001483958392 1395162512 /nfs/dbraw/zinc/16/25/12/1395162512.db2.gz HEPUHHPYOTVAOF-PMACEKPBSA-N 1 3 349.563 3.412 10 0 EGAEHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC001484057331 1395220592 /nfs/dbraw/zinc/22/05/92/1395220592.db2.gz IFSSLLUBFQLZNB-NRFANRHFSA-N 1 3 345.531 3.016 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484721592 1395484103 /nfs/dbraw/zinc/48/41/03/1395484103.db2.gz KQIZXCYCMQJVLW-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484721592 1395484106 /nfs/dbraw/zinc/48/41/06/1395484106.db2.gz KQIZXCYCMQJVLW-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485084557 1395654741 /nfs/dbraw/zinc/65/47/41/1395654741.db2.gz OMWNVPSLNRMVQD-HXUWFJFHSA-N 1 3 349.563 3.243 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001485084557 1395654745 /nfs/dbraw/zinc/65/47/45/1395654745.db2.gz OMWNVPSLNRMVQD-HXUWFJFHSA-N 1 3 349.563 3.243 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001485155784 1395671294 /nfs/dbraw/zinc/67/12/94/1395671294.db2.gz LFYFHFYPGBTSTP-HZPDHXFCSA-N 1 3 343.515 3.031 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218219 1395713609 /nfs/dbraw/zinc/71/36/09/1395713609.db2.gz VVSWNIUICBWTPZ-IAGOWNOFSA-N 1 3 347.547 3.309 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001485229230 1395722656 /nfs/dbraw/zinc/72/26/56/1395722656.db2.gz HQGLMVDFHAZKOZ-DLBZAZTESA-N 1 3 333.520 3.133 10 0 EGAEHO CC[C@@H](C(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521631 1395995814 /nfs/dbraw/zinc/99/58/14/1395995814.db2.gz DBELPCNVCXSDQB-XLIONFOSSA-N 1 3 345.531 3.052 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001503290605 1396249975 /nfs/dbraw/zinc/24/99/75/1396249975.db2.gz KNEUWRRBPFGLAV-GDIGMMSISA-N 1 3 349.494 3.028 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001503290534 1396250010 /nfs/dbraw/zinc/25/00/10/1396250010.db2.gz CYVMJSZYVOMXLB-JJRVBVJISA-N 1 3 339.911 3.226 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001492092409 1396303855 /nfs/dbraw/zinc/30/38/55/1396303855.db2.gz PSXRMDKGPJRTRJ-ICSRJNTNSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699010961 1406840334 /nfs/dbraw/zinc/84/03/34/1406840334.db2.gz IOFFTRMIIQSPSO-HNNXBMFYSA-N 1 3 339.911 3.131 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699010961 1406840337 /nfs/dbraw/zinc/84/03/37/1406840337.db2.gz IOFFTRMIIQSPSO-HNNXBMFYSA-N 1 3 339.911 3.131 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012447 1406844308 /nfs/dbraw/zinc/84/43/08/1406844308.db2.gz DSNXGDUPYRGTOI-ROUUACIJSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001497689620 1396785334 /nfs/dbraw/zinc/78/53/34/1396785334.db2.gz AIKKIZNKTDUOJG-TUIVQVNQSA-N 1 3 349.563 3.338 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001689146797 1396947963 /nfs/dbraw/zinc/94/79/63/1396947963.db2.gz NOIZVCMWXUNTLE-RLLQIKCJSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001689146797 1396947966 /nfs/dbraw/zinc/94/79/66/1396947966.db2.gz NOIZVCMWXUNTLE-RLLQIKCJSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[NH2+]CCCCCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001689159923 1396954757 /nfs/dbraw/zinc/95/47/57/1396954757.db2.gz ZARBHCRAZBHGHX-IBGZPJMESA-N 1 3 343.531 3.216 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1Cl ZINC001690341021 1404483737 /nfs/dbraw/zinc/48/37/37/1404483737.db2.gz IRZPQLHXSCJAPG-KFWWJZLASA-N 1 3 349.906 3.122 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1Cl ZINC001690341022 1404484056 /nfs/dbraw/zinc/48/40/56/1404484056.db2.gz IRZPQLHXSCJAPG-SOUVJXGZSA-N 1 3 349.906 3.122 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505406 1404618518 /nfs/dbraw/zinc/61/85/18/1404618518.db2.gz SACNHAJFBVKTIR-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505406 1404618521 /nfs/dbraw/zinc/61/85/21/1404618521.db2.gz SACNHAJFBVKTIR-QUCCMNQESA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001691095603 1405032313 /nfs/dbraw/zinc/03/23/13/1405032313.db2.gz DCSWMDGHDMMLJO-MAEOIBBWSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001725777363 1426461679 /nfs/dbraw/zinc/46/16/79/1426461679.db2.gz VAIUIHIZBCKVHX-OALUTQOASA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691226640 1405166201 /nfs/dbraw/zinc/16/62/01/1405166201.db2.gz ZPKXPYSIMLMNMQ-FGTMMUONSA-N 1 3 337.552 3.172 10 0 EGAEHO CN(C[C@@H]1CCN1CCC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691391651 1405228331 /nfs/dbraw/zinc/22/83/31/1405228331.db2.gz ARLBIJIUKHLUDF-IBGZPJMESA-N 1 3 347.547 3.284 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1c(C)cc(C)cc1C ZINC001691622826 1405363015 /nfs/dbraw/zinc/36/30/15/1405363015.db2.gz AFWCYNPGAHJQIE-FQEVSTJZSA-N 1 3 345.531 3.034 10 0 EGAEHO CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001691690957 1405425873 /nfs/dbraw/zinc/42/58/73/1405425873.db2.gz XDOXIEYAEHXIDN-GOSISDBHSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1CC)N(CC)CC ZINC001692204608 1405843006 /nfs/dbraw/zinc/84/30/06/1405843006.db2.gz WJVBWJVWPPGKDI-XUVXKRRUSA-N 1 3 345.531 3.276 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1CC)N(CC)CC ZINC001692204608 1405843010 /nfs/dbraw/zinc/84/30/10/1405843010.db2.gz WJVBWJVWPPGKDI-XUVXKRRUSA-N 1 3 345.531 3.276 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001692322429 1405941385 /nfs/dbraw/zinc/94/13/85/1405941385.db2.gz NCAMCVSVLJSBFF-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001692349346 1405967120 /nfs/dbraw/zinc/96/71/20/1405967120.db2.gz AKOXURONQXWSPI-IAGOWNOFSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1cc(CN2CC[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C)cs1 ZINC001692368388 1405977319 /nfs/dbraw/zinc/97/73/19/1405977319.db2.gz QQHYXVWTCSMKQA-NXHRZFHOSA-N 1 3 349.544 3.010 10 0 EGAEHO Cc1cc(CN2CC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C)cs1 ZINC001692368388 1405977322 /nfs/dbraw/zinc/97/73/22/1405977322.db2.gz QQHYXVWTCSMKQA-NXHRZFHOSA-N 1 3 349.544 3.010 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368113 1405977847 /nfs/dbraw/zinc/97/78/47/1405977847.db2.gz ICCQMUKRKYOLSX-WOMUKPCXSA-N 1 3 347.547 3.329 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001692368113 1405977853 /nfs/dbraw/zinc/97/78/53/1405977853.db2.gz ICCQMUKRKYOLSX-WOMUKPCXSA-N 1 3 347.547 3.329 10 0 EGAEHO CC/C=C/CC[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732088343 1428350797 /nfs/dbraw/zinc/35/07/97/1428350797.db2.gz KQORDUGTHBBNPP-AATRIKPKSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732088343 1428350800 /nfs/dbraw/zinc/35/08/00/1428350800.db2.gz KQORDUGTHBBNPP-AATRIKPKSA-N 1 3 349.563 3.245 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222831 1428471546 /nfs/dbraw/zinc/47/15/46/1428471546.db2.gz KWZXFRJRAYBYRE-OALUTQOASA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001732324192 1428532942 /nfs/dbraw/zinc/53/29/42/1428532942.db2.gz BFEAXSDZVXEKEM-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001732328695 1428535451 /nfs/dbraw/zinc/53/54/51/1428535451.db2.gz GIPHFKRHTQUTLP-ASIGSXEYSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC1=CCCCC1 ZINC001732343825 1428542468 /nfs/dbraw/zinc/54/24/68/1428542468.db2.gz RTQZJINOOPVIPF-KRWDZBQOSA-N 1 3 335.536 3.093 10 0 EGAEHO C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001732454404 1428588930 /nfs/dbraw/zinc/58/89/30/1428588930.db2.gz GDOZBSCBFHEMQM-QGZVFWFLSA-N 1 3 345.531 3.379 10 0 EGAEHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001699464580 1412827365 /nfs/dbraw/zinc/82/73/65/1412827365.db2.gz SIZBVZYNIGMCFY-UYAOXDASSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001699464580 1412827377 /nfs/dbraw/zinc/82/73/77/1412827377.db2.gz SIZBVZYNIGMCFY-UYAOXDASSA-N 1 3 345.531 3.194 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699474911 1412866669 /nfs/dbraw/zinc/86/66/69/1412866669.db2.gz YDZRCDCPEWKRRO-LSDHHAIUSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699474911 1412866674 /nfs/dbraw/zinc/86/66/74/1412866674.db2.gz YDZRCDCPEWKRRO-LSDHHAIUSA-N 1 3 339.911 3.178 10 0 EGAEHO CN(CC(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001699533197 1412908945 /nfs/dbraw/zinc/90/89/45/1412908945.db2.gz FMWQHCGSJLDCEM-LJQANCHMSA-N 1 3 345.531 3.090 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001699704778 1413119969 /nfs/dbraw/zinc/11/99/69/1413119969.db2.gz VYGOKPGYQPVDIK-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001699704778 1413119972 /nfs/dbraw/zinc/11/99/72/1413119972.db2.gz VYGOKPGYQPVDIK-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)NCC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001699864059 1413299956 /nfs/dbraw/zinc/29/99/56/1413299956.db2.gz IBOATJVEYDYZPC-SFHVURJKSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@](C)(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001699879382 1413343518 /nfs/dbraw/zinc/34/35/18/1413343518.db2.gz NKNKAPGMJHMMPI-OAQYLSRUSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@](C)(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001699879382 1413343524 /nfs/dbraw/zinc/34/35/24/1413343524.db2.gz NKNKAPGMJHMMPI-OAQYLSRUSA-N 1 3 345.531 3.054 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001700053373 1413474880 /nfs/dbraw/zinc/47/48/80/1413474880.db2.gz LMQVIBVZHVTMNE-MOPGFXCFSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)NCc1ccc([C@@H](C)NCCF)cc1)[NH+]1CCCC1 ZINC001700100530 1413517644 /nfs/dbraw/zinc/51/76/44/1413517644.db2.gz VRTGSFQWEUDONA-VQIMIIECSA-N 1 3 349.494 3.043 10 0 EGAEHO CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700220897 1413667019 /nfs/dbraw/zinc/66/70/19/1413667019.db2.gz WQVJFTOLYGEHMX-UHFFFAOYSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700225307 1413676907 /nfs/dbraw/zinc/67/69/07/1413676907.db2.gz BIAAOQRQGFNSFQ-QUCCMNQESA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700225307 1413676909 /nfs/dbraw/zinc/67/69/09/1413676909.db2.gz BIAAOQRQGFNSFQ-QUCCMNQESA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001700364451 1413885123 /nfs/dbraw/zinc/88/51/23/1413885123.db2.gz LESMJFWYAAMKLC-HXUWFJFHSA-N 1 3 345.531 3.475 10 0 EGAEHO CCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001700364451 1413885127 /nfs/dbraw/zinc/88/51/27/1413885127.db2.gz LESMJFWYAAMKLC-HXUWFJFHSA-N 1 3 345.531 3.475 10 0 EGAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001700414806 1413958084 /nfs/dbraw/zinc/95/80/84/1413958084.db2.gz BVIMFCZDGAZLMN-IRXDYDNUSA-N 1 3 339.568 3.418 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700630751 1414299988 /nfs/dbraw/zinc/29/99/88/1414299988.db2.gz BQHNFRLBHPUKEF-JZANDJSESA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001700645478 1414310264 /nfs/dbraw/zinc/31/02/64/1414310264.db2.gz HNKDKTUGTPTOIM-HNBVOPMISA-N 1 3 347.547 3.234 10 0 EGAEHO C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001700684854 1414337952 /nfs/dbraw/zinc/33/79/52/1414337952.db2.gz SZQCYVJSLQZMAE-JKSUJKDBSA-N 1 3 349.494 3.246 10 0 EGAEHO CN(CC(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001732592774 1428819163 /nfs/dbraw/zinc/81/91/63/1428819163.db2.gz OQKZVQNTZNSYKU-LJQANCHMSA-N 1 3 345.531 3.042 10 0 EGAEHO CN(CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001732592774 1428819166 /nfs/dbraw/zinc/81/91/66/1428819166.db2.gz OQKZVQNTZNSYKU-LJQANCHMSA-N 1 3 345.531 3.042 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CC1(C)C ZINC001700922692 1414575155 /nfs/dbraw/zinc/57/51/55/1414575155.db2.gz DDESRFBGKBJCHH-MSOLQXFVSA-N 1 3 335.536 3.042 10 0 EGAEHO CCCN(C)CC(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001701032925 1414697077 /nfs/dbraw/zinc/69/70/77/1414697077.db2.gz RKMBELVXCIKEOJ-UHFFFAOYSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732953311 1429076928 /nfs/dbraw/zinc/07/69/28/1429076928.db2.gz BMNRFVLNTXRLOO-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001707162228 1417225733 /nfs/dbraw/zinc/22/57/33/1417225733.db2.gz FGBDAPQKOXVRKI-APWZRJJASA-N 1 3 346.519 3.139 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001713057543 1417612259 /nfs/dbraw/zinc/61/22/59/1417612259.db2.gz RAYAIOJZJHRNER-VOTSOKGWSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713169954 1417743489 /nfs/dbraw/zinc/74/34/89/1417743489.db2.gz PHZSIQRPHVFUOP-NEPBSLMDSA-N 1 3 335.536 3.233 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001713215642 1417790097 /nfs/dbraw/zinc/79/00/97/1417790097.db2.gz PKFOFEVKGZXBDH-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001713215642 1417790100 /nfs/dbraw/zinc/79/01/00/1417790100.db2.gz PKFOFEVKGZXBDH-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713224624 1417813277 /nfs/dbraw/zinc/81/32/77/1417813277.db2.gz YUVVECXWCTYVBR-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001713224624 1417813282 /nfs/dbraw/zinc/81/32/82/1417813282.db2.gz YUVVECXWCTYVBR-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001713233024 1417819888 /nfs/dbraw/zinc/81/98/88/1417819888.db2.gz JQMOAULONMTVNN-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC(C)(C)C1 ZINC001713484533 1418177280 /nfs/dbraw/zinc/17/72/80/1418177280.db2.gz LFKKRCBCOXPNRO-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC(C)(C)C1 ZINC001713484533 1418177284 /nfs/dbraw/zinc/17/72/84/1418177284.db2.gz LFKKRCBCOXPNRO-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001713563370 1418366828 /nfs/dbraw/zinc/36/68/28/1418366828.db2.gz KATTXNIGJWYHFV-PMACEKPBSA-N 1 3 345.531 3.084 10 0 EGAEHO O=C(NCCN(CC1=CCCCC1)C1CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001713563370 1418366830 /nfs/dbraw/zinc/36/68/30/1418366830.db2.gz KATTXNIGJWYHFV-PMACEKPBSA-N 1 3 345.531 3.084 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCCC(C)(C)C ZINC001733144934 1429261783 /nfs/dbraw/zinc/26/17/83/1429261783.db2.gz LABVTHWHVMJKNR-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001713710487 1418470191 /nfs/dbraw/zinc/47/01/91/1418470191.db2.gz MNXSZJJHSRBVSH-BGYRXZFFSA-N 1 3 345.531 3.038 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001713775490 1418591037 /nfs/dbraw/zinc/59/10/37/1418591037.db2.gz LEQWABURKXZRAV-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001713775490 1418591046 /nfs/dbraw/zinc/59/10/46/1418591046.db2.gz LEQWABURKXZRAV-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794420 1418614037 /nfs/dbraw/zinc/61/40/37/1418614037.db2.gz SLJMFKKYDFLPCV-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794420 1418614039 /nfs/dbraw/zinc/61/40/39/1418614039.db2.gz SLJMFKKYDFLPCV-OALUTQOASA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713948558 1418733239 /nfs/dbraw/zinc/73/32/39/1418733239.db2.gz QMPUARXHQFHVLE-FHWLQOOXSA-N 1 3 335.536 3.066 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001714418893 1419155582 /nfs/dbraw/zinc/15/55/82/1419155582.db2.gz HMWWWWXCVSVNLO-SJLPKXTDSA-N 1 3 345.531 3.272 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001714434652 1419167416 /nfs/dbraw/zinc/16/74/16/1419167416.db2.gz CTQUOXAYXYTCFL-MSOLQXFVSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001714434652 1419167417 /nfs/dbraw/zinc/16/74/17/1419167417.db2.gz CTQUOXAYXYTCFL-MSOLQXFVSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)(C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1)N1CCCCC1 ZINC001714516664 1419243074 /nfs/dbraw/zinc/24/30/74/1419243074.db2.gz HBMHNHGOACQLDN-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1)N1CCCCC1 ZINC001714516664 1419243076 /nfs/dbraw/zinc/24/30/76/1419243076.db2.gz HBMHNHGOACQLDN-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001714542503 1419268118 /nfs/dbraw/zinc/26/81/18/1419268118.db2.gz IXMBEDASOJERAC-HXUWFJFHSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001714542503 1419268120 /nfs/dbraw/zinc/26/81/20/1419268120.db2.gz IXMBEDASOJERAC-HXUWFJFHSA-N 1 3 345.531 3.231 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648582 1419425018 /nfs/dbraw/zinc/42/50/18/1419425018.db2.gz TURAHMDZNDMQND-MSOLQXFVSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001714648582 1419425022 /nfs/dbraw/zinc/42/50/22/1419425022.db2.gz TURAHMDZNDMQND-MSOLQXFVSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCCCC[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001714810784 1419521804 /nfs/dbraw/zinc/52/18/04/1419521804.db2.gz DOLSHJXJPFBHTO-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001714821042 1419531278 /nfs/dbraw/zinc/53/12/78/1419531278.db2.gz RLJUHYPOHBMJMS-BUPXIBQPSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001714841601 1419553874 /nfs/dbraw/zinc/55/38/74/1419553874.db2.gz QUYWEOWHFQXIGK-FQEVSTJZSA-N 1 3 345.531 3.354 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001714880353 1419616146 /nfs/dbraw/zinc/61/61/46/1419616146.db2.gz CKSDYLKNGNLOFB-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001714880353 1419616150 /nfs/dbraw/zinc/61/61/50/1419616150.db2.gz CKSDYLKNGNLOFB-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CCCCC[N@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001714912386 1419660335 /nfs/dbraw/zinc/66/03/35/1419660335.db2.gz LTPXLVGZPQXJIJ-UHFFFAOYSA-N 1 3 339.568 3.325 10 0 EGAEHO CCCCC[N@@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001714912386 1419660338 /nfs/dbraw/zinc/66/03/38/1419660338.db2.gz LTPXLVGZPQXJIJ-UHFFFAOYSA-N 1 3 339.568 3.325 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001714982756 1419716916 /nfs/dbraw/zinc/71/69/16/1419716916.db2.gz UNYYHAYOMDQGAS-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001715464167 1420143481 /nfs/dbraw/zinc/14/34/81/1420143481.db2.gz VIYKSGRVVXKEPL-XLIONFOSSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@@H](NC/C=C\CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916495 1420395433 /nfs/dbraw/zinc/39/54/33/1420395433.db2.gz YDEZQMYAZLTAER-CWIOURORSA-N 1 3 347.478 3.025 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001716045628 1420509029 /nfs/dbraw/zinc/50/90/29/1420509029.db2.gz RGKZYSVZVRBDEP-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001716045628 1420509031 /nfs/dbraw/zinc/50/90/31/1420509031.db2.gz RGKZYSVZVRBDEP-MSOLQXFVSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001716198542 1420563057 /nfs/dbraw/zinc/56/30/57/1420563057.db2.gz PDZAHQSWIKQKEN-INIZCTEOSA-N 1 3 325.541 3.027 10 0 EGAEHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001716278220 1420591365 /nfs/dbraw/zinc/59/13/65/1420591365.db2.gz YLXOEQBFEGWLTG-LKFCSYKXSA-N 1 3 349.563 3.195 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(F)c1 ZINC001716378207 1420624173 /nfs/dbraw/zinc/62/41/73/1420624173.db2.gz HCJJOMNWSCWEKK-FOVLHFFESA-N 1 3 347.478 3.023 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001716455219 1420669997 /nfs/dbraw/zinc/66/99/97/1420669997.db2.gz SVSVCFGLWSNQIR-AZUAARDMSA-N 1 3 345.531 3.161 10 0 EGAEHO CN(CCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)CN1CCCC1 ZINC001716585778 1420769068 /nfs/dbraw/zinc/76/90/68/1420769068.db2.gz SUJYLLXJOCJMFN-UHFFFAOYSA-N 1 3 345.531 3.018 10 0 EGAEHO CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1)N(C)C ZINC001716685915 1420839326 /nfs/dbraw/zinc/83/93/26/1420839326.db2.gz QVCHTFKIHHCMHK-QFBILLFUSA-N 1 3 345.531 3.450 10 0 EGAEHO CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)N(C)C ZINC001716708532 1420862365 /nfs/dbraw/zinc/86/23/65/1420862365.db2.gz JFXXLNWSQYTZAZ-LNJQLCTBSA-N 1 3 335.536 3.185 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001716787202 1420922363 /nfs/dbraw/zinc/92/23/63/1420922363.db2.gz PQWIHKAAFAKJSU-VOFKWLDRSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001716952606 1421048265 /nfs/dbraw/zinc/04/82/65/1421048265.db2.gz IMMWHMKZULJAJC-FQEVSTJZSA-N 1 3 349.563 3.079 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCC3)C2)CC1 ZINC001717103859 1421111519 /nfs/dbraw/zinc/11/15/19/1421111519.db2.gz LZGVRCYBXPEYSV-HXUWFJFHSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1([NH2+]CCC2CCCCCC2)CCC1 ZINC001717162818 1421153139 /nfs/dbraw/zinc/15/31/39/1421153139.db2.gz JGYVDMOHNXGYII-UHFFFAOYSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC1CCCC1 ZINC001717471810 1421404918 /nfs/dbraw/zinc/40/49/18/1421404918.db2.gz GBHVCTOXRHAIIC-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001717471810 1421404921 /nfs/dbraw/zinc/40/49/21/1421404921.db2.gz GBHVCTOXRHAIIC-PKOBYXMFSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)=CCN(C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485637 1421422028 /nfs/dbraw/zinc/42/20/28/1421422028.db2.gz PUIKKXIFBVFOCH-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)=CCN(C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717485637 1421422031 /nfs/dbraw/zinc/42/20/31/1421422031.db2.gz PUIKKXIFBVFOCH-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717547972 1421487247 /nfs/dbraw/zinc/48/72/47/1421487247.db2.gz CYESAKBMVILOLA-TUYSUELWSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001717649665 1421550339 /nfs/dbraw/zinc/55/03/39/1421550339.db2.gz SZKUWJRUWQWASD-GUDVDZBRSA-N 1 3 337.552 3.170 10 0 EGAEHO CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717740893 1421604330 /nfs/dbraw/zinc/60/43/30/1421604330.db2.gz IFZWAVUQZFATJY-HNAYVOBHSA-N 1 3 343.531 3.072 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001717831058 1421643755 /nfs/dbraw/zinc/64/37/55/1421643755.db2.gz WRBXMMOHCDFITF-LPHOPBHVSA-N 1 3 345.531 3.377 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001717895484 1421693218 /nfs/dbraw/zinc/69/32/18/1421693218.db2.gz MTQZZFZPIJIHCQ-XZVRFQMRSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H](c1ccc(F)cc1)N1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459929 1429683549 /nfs/dbraw/zinc/68/35/49/1429683549.db2.gz ARJMENDGFCYIRJ-JXFKEZNVSA-N 1 3 349.494 3.057 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCC2CCCCCC2)C1 ZINC001723124127 1424303632 /nfs/dbraw/zinc/30/36/32/1424303632.db2.gz UQEBWSWFHAFJKA-GOSISDBHSA-N 1 3 337.552 3.127 10 0 EGAEHO CC(C)CCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001723698105 1424534863 /nfs/dbraw/zinc/53/48/63/1424534863.db2.gz GGDBGICIXFBRMD-UHFFFAOYSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001723939040 1424608936 /nfs/dbraw/zinc/60/89/36/1424608936.db2.gz ABSNRSJCSMYYOG-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO CCC(CC)C[NH+]1CCC(C)(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001724025274 1424633089 /nfs/dbraw/zinc/63/30/89/1424633089.db2.gz GJFHDWVAHSNFLW-IRXDYDNUSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174501 1424709219 /nfs/dbraw/zinc/70/92/19/1424709219.db2.gz RDVJYBSRIZBTDK-LPHOPBHVSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCC(C)(C)C)C1)N(CC)CC ZINC001724174501 1424709222 /nfs/dbraw/zinc/70/92/22/1424709222.db2.gz RDVJYBSRIZBTDK-LPHOPBHVSA-N 1 3 325.541 3.124 10 0 EGAEHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001724224543 1424743270 /nfs/dbraw/zinc/74/32/70/1424743270.db2.gz ZWUJOUSARJDAAI-NRFANRHFSA-N 1 3 347.547 3.189 10 0 EGAEHO CCCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724273703 1424768464 /nfs/dbraw/zinc/76/84/64/1424768464.db2.gz RLKNDXDUVDHEMN-NRFANRHFSA-N 1 3 345.531 3.380 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001724303083 1424787573 /nfs/dbraw/zinc/78/75/73/1424787573.db2.gz SXCRRRWHEXMIEM-VOTSOKGWSA-N 1 3 346.519 3.225 10 0 EGAEHO CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1CC ZINC001724511820 1424888360 /nfs/dbraw/zinc/88/83/60/1424888360.db2.gz MCSYIGFYKHJLSR-PMACEKPBSA-N 1 3 345.531 3.279 10 0 EGAEHO CN(CC(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001724716358 1425070200 /nfs/dbraw/zinc/07/02/00/1425070200.db2.gz TWWQSPOUWSDPDH-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001724748386 1425117645 /nfs/dbraw/zinc/11/76/45/1425117645.db2.gz IVBDOKBGKBGPGT-RGOXZVDPSA-N 1 3 349.906 3.048 10 0 EGAEHO CCC1([NH2+]CCC2CCCCC2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001724885529 1425268563 /nfs/dbraw/zinc/26/85/63/1425268563.db2.gz YRFGOJMEDQRHOR-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060246 1425501191 /nfs/dbraw/zinc/50/11/91/1425501191.db2.gz SNYPIHMSULSKCJ-RBUKOAKNSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060246 1425501195 /nfs/dbraw/zinc/50/11/95/1425501195.db2.gz SNYPIHMSULSKCJ-RBUKOAKNSA-N 1 3 345.531 3.319 10 0 EGAEHO CCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC001725135833 1425609720 /nfs/dbraw/zinc/60/97/20/1425609720.db2.gz BKWJSEIHRPAUKH-CTWPCTMYSA-N 1 3 337.552 3.410 10 0 EGAEHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001725144158 1425624625 /nfs/dbraw/zinc/62/46/25/1425624625.db2.gz ZYQFFQBBVTUAPM-DAWZGUTISA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)=CCN1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725302214 1425951465 /nfs/dbraw/zinc/95/14/65/1425951465.db2.gz ZINASVKLCHSGDG-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1ccccc1C[NH+]1CCC([C@H](C)NC(=O)CN(C)C(C)C)CC1 ZINC001725771636 1426455347 /nfs/dbraw/zinc/45/53/47/1426455347.db2.gz QDJYUFOUZXEMIX-SFHVURJKSA-N 1 3 345.531 3.052 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001725830868 1426508839 /nfs/dbraw/zinc/50/88/39/1426508839.db2.gz WSJDWKUSOAUNNL-HDICACEKSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001725830868 1426508840 /nfs/dbraw/zinc/50/88/40/1426508840.db2.gz WSJDWKUSOAUNNL-HDICACEKSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001731506585 1427493096 /nfs/dbraw/zinc/49/30/96/1427493096.db2.gz FMYQVVDBZIHVLS-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001731506585 1427493102 /nfs/dbraw/zinc/49/31/02/1427493102.db2.gz FMYQVVDBZIHVLS-IAGOWNOFSA-N 1 3 349.494 3.055 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001731518636 1427506083 /nfs/dbraw/zinc/50/60/83/1427506083.db2.gz KVNLZXPOXPWKPH-IBGZPJMESA-N 1 3 347.547 3.189 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594532 1427636685 /nfs/dbraw/zinc/63/66/85/1427636685.db2.gz IDLNXRMEVNJPCH-YLJYHZDGSA-N 1 3 345.531 3.279 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832365 1428043115 /nfs/dbraw/zinc/04/31/15/1428043115.db2.gz BFWNJQGWRXBEPF-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1)N(CC)CC ZINC001731832365 1428043118 /nfs/dbraw/zinc/04/31/18/1428043118.db2.gz BFWNJQGWRXBEPF-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837912 1428056083 /nfs/dbraw/zinc/05/60/83/1428056083.db2.gz IVLFPMDPZRMDRZ-RRFGBZISSA-N 1 3 343.515 3.299 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837912 1428056086 /nfs/dbraw/zinc/05/60/86/1428056086.db2.gz IVLFPMDPZRMDRZ-RRFGBZISSA-N 1 3 343.515 3.299 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668114 1429862846 /nfs/dbraw/zinc/86/28/46/1429862846.db2.gz SKFAOFFXGNMGMX-AZUAARDMSA-N 1 3 347.547 3.047 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001733682758 1429896589 /nfs/dbraw/zinc/89/65/89/1429896589.db2.gz VRVQJIQNNOTMTA-LPHOPBHVSA-N 1 3 349.494 3.186 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1 ZINC001733808865 1430083010 /nfs/dbraw/zinc/08/30/10/1430083010.db2.gz ASFFEUCOOFRIEA-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001733948602 1437761630 /nfs/dbraw/zinc/76/16/30/1437761630.db2.gz HCBATCAYAXVOES-MHJFOBGBSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009088 1437800750 /nfs/dbraw/zinc/80/07/50/1437800750.db2.gz QMQRVPFAPCZAEN-JKSUJKDBSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494733 1438131559 /nfs/dbraw/zinc/13/15/59/1438131559.db2.gz BXYPTLZICAXDFY-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO CN(CC(=O)N[C@@H](C[NH2+]CC1CCCC1)C(C)(C)C)CC(C)(C)C ZINC001734569442 1438164138 /nfs/dbraw/zinc/16/41/38/1438164138.db2.gz LWDUEWOVFQARQW-KRWDZBQOSA-N 1 3 339.568 3.275 10 0 EGAEHO CC(C)=CCN(C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001750931771 1440113576 /nfs/dbraw/zinc/11/35/76/1440113576.db2.gz YMRDZUZVWGZTHM-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO C[C@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CCC(F)(F)CC1 ZINC000353311896 299272075 /nfs/dbraw/zinc/27/20/75/299272075.db2.gz HRMVAHFNSBBABY-HNNXBMFYSA-N 1 3 343.506 3.349 10 0 EGAEHO C[C@@H](Cc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377715577 169067941 /nfs/dbraw/zinc/06/79/41/169067941.db2.gz KOTCRPJWGSSZGW-WTBLGDFPSA-N 1 3 341.543 3.108 10 0 EGAEHO C[C@@H](Cc1ccccc1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377715577 169067944 /nfs/dbraw/zinc/06/79/44/169067944.db2.gz KOTCRPJWGSSZGW-WTBLGDFPSA-N 1 3 341.543 3.108 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488144 141122544 /nfs/dbraw/zinc/12/25/44/141122544.db2.gz MHFLHDCYTXKBQJ-FXAWDEMLSA-N 1 3 328.500 3.303 10 0 EGAEHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348061736 141237368 /nfs/dbraw/zinc/23/73/68/141237368.db2.gz JKACCUGNQDEVBL-MOPGFXCFSA-N 1 3 330.520 3.008 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000353461596 141302225 /nfs/dbraw/zinc/30/22/25/141302225.db2.gz MLHSYYADBNYZKM-RCCFBDPRSA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000353461596 141302228 /nfs/dbraw/zinc/30/22/28/141302228.db2.gz MLHSYYADBNYZKM-RCCFBDPRSA-N 1 3 332.488 3.446 10 0 EGAEHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1OC ZINC000353461596 141302231 /nfs/dbraw/zinc/30/22/31/141302231.db2.gz MLHSYYADBNYZKM-RCCFBDPRSA-N 1 3 332.488 3.446 10 0 EGAEHO C[N@@H+](CCCc1nc(-c2cccs2)no1)CCCN1CCCC1 ZINC000337285481 154260370 /nfs/dbraw/zinc/26/03/70/154260370.db2.gz ZYISVJXVMQTCLQ-UHFFFAOYSA-N 1 3 334.489 3.148 10 0 EGAEHO C[N@H+](CCCc1nc(-c2cccs2)no1)CCCN1CCCC1 ZINC000337285481 154260372 /nfs/dbraw/zinc/26/03/72/154260372.db2.gz ZYISVJXVMQTCLQ-UHFFFAOYSA-N 1 3 334.489 3.148 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250310712 266263561 /nfs/dbraw/zinc/26/35/61/266263561.db2.gz LUTOGPIJIPZFEF-DYVFJYSZSA-N 1 3 337.305 3.238 10 0 EGAEHO C[C@H]1C[C@@H](NC[C@@H](O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000286871817 276052395 /nfs/dbraw/zinc/05/23/95/276052395.db2.gz BVWFPIMIFINUIA-NYVOZVTQSA-N 1 3 338.495 3.233 10 0 EGAEHO C[C@H]1C[C@@H](NC[C@@H](O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000286871817 276052396 /nfs/dbraw/zinc/05/23/96/276052396.db2.gz BVWFPIMIFINUIA-NYVOZVTQSA-N 1 3 338.495 3.233 10 0 EGAEHO CC(C)(C)OC(=O)C1CCC([NH+]2CCC(N3CCCC3)CC2)CC1 ZINC000097032806 277174088 /nfs/dbraw/zinc/17/40/88/277174088.db2.gz SECOLPMDXKWTKT-UHFFFAOYSA-N 1 3 336.520 3.447 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000248119475 288103830 /nfs/dbraw/zinc/10/38/30/288103830.db2.gz NEGMABQUABPCEO-QLCXLMDBSA-N 1 3 335.561 3.449 10 0 EGAEHO Cc1ccccc1[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182622866 302174934 /nfs/dbraw/zinc/17/49/34/302174934.db2.gz MBCHUSMLQJLXIV-GURQWTFNSA-N 1 3 327.516 3.299 10 0 EGAEHO Cc1ccccc1[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182622866 302174937 /nfs/dbraw/zinc/17/49/37/302174937.db2.gz MBCHUSMLQJLXIV-GURQWTFNSA-N 1 3 327.516 3.299 10 0 EGAEHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414745269 309098584 /nfs/dbraw/zinc/09/85/84/309098584.db2.gz PHMTWNPJOLYORE-YJBOKZPZSA-N 1 3 349.906 3.064 10 0 EGAEHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414745269 309098585 /nfs/dbraw/zinc/09/85/85/309098585.db2.gz PHMTWNPJOLYORE-YJBOKZPZSA-N 1 3 349.906 3.064 10 0 EGAEHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414745260 309098590 /nfs/dbraw/zinc/09/85/90/309098590.db2.gz PHMTWNPJOLYORE-CRAIPNDOSA-N 1 3 349.906 3.064 10 0 EGAEHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414745260 309098591 /nfs/dbraw/zinc/09/85/91/309098591.db2.gz PHMTWNPJOLYORE-CRAIPNDOSA-N 1 3 349.906 3.064 10 0 EGAEHO COCCCOc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414815369 309103425 /nfs/dbraw/zinc/10/34/25/309103425.db2.gz XJOSUWNGJZFZLY-INIZCTEOSA-N 1 3 328.456 3.411 10 0 EGAEHO CC(C)C[C@H](C[NH3+])N[C@H](C)Cc1ccc(Br)cc1F ZINC000414855532 309105850 /nfs/dbraw/zinc/10/58/50/309105850.db2.gz WWIUUEAQKFGHNF-BXUZGUMPSA-N 1 3 331.273 3.482 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414918808 309109322 /nfs/dbraw/zinc/10/93/22/309109322.db2.gz VHIANHKGELNMMV-LRDDRELGSA-N 1 3 343.284 3.499 10 0 EGAEHO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918808 309109323 /nfs/dbraw/zinc/10/93/23/309109323.db2.gz VHIANHKGELNMMV-LRDDRELGSA-N 1 3 343.284 3.499 10 0 EGAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942819 309110564 /nfs/dbraw/zinc/11/05/64/309110564.db2.gz MZFATOORQOCERY-UGSOOPFHSA-N 1 3 339.886 3.031 10 0 EGAEHO COc1cc(C[NH2+][C@@H]2CCNC[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414943862 309110636 /nfs/dbraw/zinc/11/06/36/309110636.db2.gz OMAITMRQSKWKJV-DNVCBOLYSA-N 1 3 340.467 3.458 10 0 EGAEHO CNCc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000415894939 309146600 /nfs/dbraw/zinc/14/66/00/309146600.db2.gz AMFKEKFQQCNOEG-HOTGVXAUSA-N 1 3 346.519 3.284 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000415896580 309146756 /nfs/dbraw/zinc/14/67/56/309146756.db2.gz DLSGPPFNFTYACY-UHFFFAOYSA-N 1 3 332.492 3.182 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000415896580 309146757 /nfs/dbraw/zinc/14/67/57/309146757.db2.gz DLSGPPFNFTYACY-UHFFFAOYSA-N 1 3 332.492 3.182 10 0 EGAEHO C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)cc1 ZINC000417816315 309223879 /nfs/dbraw/zinc/22/38/79/309223879.db2.gz PUHYMMHNQNCFFO-KSSFIOAISA-N 1 3 325.456 3.049 10 0 EGAEHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418497275 309247466 /nfs/dbraw/zinc/24/74/66/309247466.db2.gz VYGZNESQHVGQPX-QGZVFWFLSA-N 1 3 346.519 3.114 10 0 EGAEHO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000421388574 309322294 /nfs/dbraw/zinc/32/22/94/309322294.db2.gz QARWPNJISSNSCC-ICSRJNTNSA-N 1 3 345.531 3.264 10 0 EGAEHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720652 309364878 /nfs/dbraw/zinc/36/48/78/309364878.db2.gz ZYOFNIMKKZHTEM-ZIAGYGMSSA-N 1 3 343.437 3.385 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000422789733 309368521 /nfs/dbraw/zinc/36/85/21/309368521.db2.gz BMPXTOPHSNRVNW-CQSZACIVSA-N 1 3 340.471 3.294 10 0 EGAEHO Fc1ccc(F)c(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816758 309369917 /nfs/dbraw/zinc/36/99/17/309369917.db2.gz BGXIZARGJZDUCN-AZUAARDMSA-N 1 3 344.405 3.353 10 0 EGAEHO c1cnn(-c2ccc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818902 309370118 /nfs/dbraw/zinc/37/01/18/309370118.db2.gz HJMLQAHQACNUMC-PCCBWWKXSA-N 1 3 338.499 3.315 10 0 EGAEHO c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)cc2)c1 ZINC000422818902 309370119 /nfs/dbraw/zinc/37/01/19/309370119.db2.gz HJMLQAHQACNUMC-PCCBWWKXSA-N 1 3 338.499 3.315 10 0 EGAEHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422840956 309371387 /nfs/dbraw/zinc/37/13/87/309371387.db2.gz CKOVFKQBUGTZIG-BZUAXINKSA-N 1 3 325.859 3.085 10 0 EGAEHO c1ccc(C[C@@H]2C[C@@H]2N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916759 309376093 /nfs/dbraw/zinc/37/60/93/309376093.db2.gz DZPXARVFBWPVTJ-XBZUYWNMSA-N 1 3 334.463 3.463 10 0 EGAEHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(COc2ccccc2)cc1 ZINC000422947305 309377568 /nfs/dbraw/zinc/37/75/68/309377568.db2.gz YEPUUURCSLFSQX-ZLGUVYLKSA-N 1 3 340.467 3.108 10 0 EGAEHO C[C@@H](NC(Cc1ccccc1F)Cc1ccccc1F)C1C[NH2+]C1 ZINC000422997552 309380123 /nfs/dbraw/zinc/38/01/23/309380123.db2.gz OGOAGEXSUKEZTC-CQSZACIVSA-N 1 3 330.422 3.316 10 0 EGAEHO C[C@@H]([NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CNC1 ZINC000422997552 309380124 /nfs/dbraw/zinc/38/01/24/309380124.db2.gz OGOAGEXSUKEZTC-CQSZACIVSA-N 1 3 330.422 3.316 10 0 EGAEHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092671 309385659 /nfs/dbraw/zinc/38/56/59/309385659.db2.gz CXVXOWZRRIMWBP-OZLIFCEKSA-N 1 3 326.843 3.009 10 0 EGAEHO FC(F)(F)C1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108396 309386309 /nfs/dbraw/zinc/38/63/09/309386309.db2.gz MAXPQBLTIDHMNY-BBRMVZONSA-N 1 3 326.362 3.174 10 0 EGAEHO FC(F)(F)C1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108397 309386337 /nfs/dbraw/zinc/38/63/37/309386337.db2.gz MAXPQBLTIDHMNY-CJNGLKHVSA-N 1 3 326.362 3.174 10 0 EGAEHO C[C@@H](NCC1([NH3+])CCCCCC1)c1cccc(OCCN(C)C)c1 ZINC000423207603 309390498 /nfs/dbraw/zinc/39/04/98/309390498.db2.gz XQHBRAWKKLZSLK-QGZVFWFLSA-N 1 3 333.520 3.329 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](N)c2ccccc2)CC1 ZINC000423249569 309392357 /nfs/dbraw/zinc/39/23/57/309392357.db2.gz OVSHGUSQACILGC-AVRDEDQJSA-N 1 3 337.511 3.372 10 0 EGAEHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423267271 309393116 /nfs/dbraw/zinc/39/31/16/309393116.db2.gz CQQGKLCYAZCQHF-ZQIUZPCESA-N 1 3 337.305 3.414 10 0 EGAEHO Brc1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000423348385 309396336 /nfs/dbraw/zinc/39/63/36/309396336.db2.gz STWGCYCZRWJFNM-HNNXBMFYSA-N 1 3 337.261 3.172 10 0 EGAEHO CCN1CCC[C@H]1C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449057981 310033717 /nfs/dbraw/zinc/03/37/17/310033717.db2.gz FWRBPDODUSJPPP-RXVVDRJESA-N 1 3 329.532 3.156 10 0 EGAEHO COc1cc(C[NH2+]C2CCN([C@H](C)Cc3ccccc3)CC2)ccn1 ZINC000449123832 310038775 /nfs/dbraw/zinc/03/87/75/310038775.db2.gz DMRSDXVLABZADU-QGZVFWFLSA-N 1 3 339.483 3.275 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000449218462 310045497 /nfs/dbraw/zinc/04/54/97/310045497.db2.gz IKHNVZQLYRUPQY-LJQANCHMSA-N 1 3 329.532 3.158 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCN2CCCCC2)CC1 ZINC000449218462 310045498 /nfs/dbraw/zinc/04/54/98/310045498.db2.gz IKHNVZQLYRUPQY-LJQANCHMSA-N 1 3 329.532 3.158 10 0 EGAEHO COc1cc(Br)ccc1CNCCCC[N@H+](C)C1CC1 ZINC000453590802 310283127 /nfs/dbraw/zinc/28/31/27/310283127.db2.gz BKEBGTFBDWSRRT-UHFFFAOYSA-N 1 3 341.293 3.422 10 0 EGAEHO COc1cc(Br)ccc1CNCCCC[N@@H+](C)C1CC1 ZINC000453590802 310283128 /nfs/dbraw/zinc/28/31/28/310283128.db2.gz BKEBGTFBDWSRRT-UHFFFAOYSA-N 1 3 341.293 3.422 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505798 312211904 /nfs/dbraw/zinc/21/19/04/312211904.db2.gz MICQJNFQWCOTPQ-HKUYNNGSSA-N 1 3 339.483 3.486 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513505798 312211905 /nfs/dbraw/zinc/21/19/05/312211905.db2.gz MICQJNFQWCOTPQ-HKUYNNGSSA-N 1 3 339.483 3.486 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000528015419 313000168 /nfs/dbraw/zinc/00/01/68/313000168.db2.gz XJTVQKDNTVCXPM-XLIONFOSSA-N 1 3 345.531 3.295 10 0 EGAEHO CN1CCC[C@@H]1CC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528577013 313121905 /nfs/dbraw/zinc/12/19/05/313121905.db2.gz FKRRWSXGDGKGLS-GOSISDBHSA-N 1 3 346.519 3.466 10 0 EGAEHO CCN(CC)Cc1cc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216947 313499027 /nfs/dbraw/zinc/49/90/27/313499027.db2.gz QYQBOROPVOCMIJ-OXJNMPFZSA-N 1 3 345.531 3.472 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H]2CCC[C@@H]21 ZINC000552066907 315195093 /nfs/dbraw/zinc/19/50/93/315195093.db2.gz UIHOGEBNLIFBQE-IHPCNDPISA-N 1 3 347.934 3.161 10 0 EGAEHO C[N@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H]2CCC[C@@H]21 ZINC000552066907 315195095 /nfs/dbraw/zinc/19/50/95/315195095.db2.gz UIHOGEBNLIFBQE-IHPCNDPISA-N 1 3 347.934 3.161 10 0 EGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552924838 315237770 /nfs/dbraw/zinc/23/77/70/315237770.db2.gz NLCIGAKLUCUPQU-FQEVSTJZSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CCN(C)c1ccncc1 ZINC000561732870 315779030 /nfs/dbraw/zinc/77/90/30/315779030.db2.gz LDSAMSPWLWZFKB-UHFFFAOYSA-N 1 3 346.519 3.021 10 0 EGAEHO OC1(C[NH2+]Cc2ccc3[nH]ccc3c2)CCN(Cc2ccccc2)CC1 ZINC000397552317 324295215 /nfs/dbraw/zinc/29/52/15/324295215.db2.gz YBKQEEZXCCVSQS-UHFFFAOYSA-N 1 3 349.478 3.285 10 0 EGAEHO CCC(C)(C)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189956661 455260544 /nfs/dbraw/zinc/26/05/44/455260544.db2.gz TXRADWPSFICODE-IRXDYDNUSA-N 1 3 345.531 3.037 10 0 EGAEHO C[C@@H](N[C@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809178 460568198 /nfs/dbraw/zinc/56/81/98/460568198.db2.gz MHLZSOXWOHHQJW-QAPCUYQASA-N 1 3 328.460 3.009 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1csc(C(F)(F)F)c1 ZINC000623563127 460613806 /nfs/dbraw/zinc/61/38/06/460613806.db2.gz OTUZYJTUFSNNKI-LBPRGKRZSA-N 1 3 337.455 3.129 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2CCSCC2)CC1 ZINC000088721711 454117730 /nfs/dbraw/zinc/11/77/30/454117730.db2.gz MLFBBKXTSDJLGF-UHFFFAOYSA-N 1 3 347.572 3.451 10 0 EGAEHO C[C@@H](c1ccc(Cl)cc1)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000069971691 454161167 /nfs/dbraw/zinc/16/11/67/454161167.db2.gz LUGUJVNPYCFVIJ-INIZCTEOSA-N 1 3 335.923 3.360 10 0 EGAEHO CC(C)=CCN1CCC([NH2+]CC2(N3CCCCC3)CCOCC2)CC1 ZINC000089594778 454165022 /nfs/dbraw/zinc/16/50/22/454165022.db2.gz QPABNNVZVREBTK-UHFFFAOYSA-N 1 3 349.563 3.042 10 0 EGAEHO CN(Cc1cncs1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121161219 454400409 /nfs/dbraw/zinc/40/04/09/454400409.db2.gz XWPWDAUPTXGULZ-LJQANCHMSA-N 1 3 345.512 3.021 10 0 EGAEHO C[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)Cc1ccccc1 ZINC000133603484 454444570 /nfs/dbraw/zinc/44/45/70/454444570.db2.gz YYTCJTYRSUNDNQ-SFHVURJKSA-N 1 3 329.532 3.013 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134923771 454609965 /nfs/dbraw/zinc/60/99/65/454609965.db2.gz ZYHMCLIGYMVSQU-WIYYLYMNSA-N 1 3 344.499 3.031 10 0 EGAEHO c1ccc(OCCOCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134923771 454609969 /nfs/dbraw/zinc/60/99/69/454609969.db2.gz ZYHMCLIGYMVSQU-WIYYLYMNSA-N 1 3 344.499 3.031 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000125168912 454802345 /nfs/dbraw/zinc/80/23/45/454802345.db2.gz IKMWTUQWNKBHKK-HXUWFJFHSA-N 1 3 327.516 3.245 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000125168912 454802350 /nfs/dbraw/zinc/80/23/50/454802350.db2.gz IKMWTUQWNKBHKK-HXUWFJFHSA-N 1 3 327.516 3.245 10 0 EGAEHO COCCC[NH+]1CCC(N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166459810 454912110 /nfs/dbraw/zinc/91/21/10/454912110.db2.gz HYPRKBQKCXHVFL-NQIIRXRSSA-N 1 3 346.515 3.245 10 0 EGAEHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)[C@H](C)C1 ZINC000167179154 454919393 /nfs/dbraw/zinc/91/93/93/454919393.db2.gz MZZLHVQOARGUJH-GGPKGHCWSA-N 1 3 346.515 3.230 10 0 EGAEHO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180160924 455142421 /nfs/dbraw/zinc/14/24/21/455142421.db2.gz YDCAOSUNBYUWKH-CYHXIYLESA-N 1 3 348.490 3.430 10 0 EGAEHO CC(C)[N@@H+]1C2CCC1CN(C(=O)NCc1cc(F)ccc1F)CC2 ZINC000266880360 455467582 /nfs/dbraw/zinc/46/75/82/455467582.db2.gz WOTLDTCHCVGLAS-HOTGVXAUSA-N 1 3 337.414 3.122 10 0 EGAEHO CC(C)[N@H+]1C2CCC1CN(C(=O)NCc1cc(F)ccc1F)CC2 ZINC000266880360 455467588 /nfs/dbraw/zinc/46/75/88/455467588.db2.gz WOTLDTCHCVGLAS-HOTGVXAUSA-N 1 3 337.414 3.122 10 0 EGAEHO c1ccc(CN2CC[C@@H](N3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246475 456190194 /nfs/dbraw/zinc/19/01/94/456190194.db2.gz CPQMDDYCWHPJEL-LEWJYISDSA-N 1 3 327.516 3.069 10 0 EGAEHO C[C@H]1C[C@H](NCc2ccc3cncn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529313 456244919 /nfs/dbraw/zinc/24/49/19/456244919.db2.gz NWDGPNREZLKMJE-FXAWDEMLSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@H]1C[C@H](NCc2ccc3cncn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297529313 456244927 /nfs/dbraw/zinc/24/49/27/456244927.db2.gz NWDGPNREZLKMJE-FXAWDEMLSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@H]1C[C@H]([NH2+]Cc2ccc3cncn3c2)CCN1Cc1ccccc1 ZINC000297529313 456244933 /nfs/dbraw/zinc/24/49/33/456244933.db2.gz NWDGPNREZLKMJE-FXAWDEMLSA-N 1 3 334.467 3.477 10 0 EGAEHO CN1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000297657195 456271714 /nfs/dbraw/zinc/27/17/14/456271714.db2.gz NRHPUDRIWZBWPC-SFTDATJTSA-N 1 3 336.483 3.085 10 0 EGAEHO CC[NH+]1CCC(CCNC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275684114 456285433 /nfs/dbraw/zinc/28/54/33/456285433.db2.gz QPADEUBCPVTMGO-UHFFFAOYSA-N 1 3 346.519 3.034 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H]2CCC[C@@H]21 ZINC000340467742 456477078 /nfs/dbraw/zinc/47/70/78/456477078.db2.gz TXPLVKKMVIQNCL-PMPSAXMXSA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H]2CCC[C@@H]21 ZINC000340467742 456477085 /nfs/dbraw/zinc/47/70/85/456477085.db2.gz TXPLVKKMVIQNCL-PMPSAXMXSA-N 1 3 327.394 3.105 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340473680 456480883 /nfs/dbraw/zinc/48/08/83/456480883.db2.gz KGVONBOLKIVLEA-YLJYHZDGSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000340473680 456480887 /nfs/dbraw/zinc/48/08/87/456480887.db2.gz KGVONBOLKIVLEA-YLJYHZDGSA-N 1 3 341.503 3.078 10 0 EGAEHO CN1CCC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000348258412 456576489 /nfs/dbraw/zinc/57/64/89/456576489.db2.gz KCAOMVMNRRCJJZ-RTWAWAEBSA-N 1 3 341.543 3.330 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311861499 456591240 /nfs/dbraw/zinc/59/12/40/456591240.db2.gz XQFRTBPZZMSUHA-XJKCOSOUSA-N 1 3 325.294 3.297 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c(O[C@H]2CCOC2)c1 ZINC000353407925 456681969 /nfs/dbraw/zinc/68/19/69/456681969.db2.gz SWSXFOCCOWAVFY-MTQWCTHYSA-N 1 3 344.499 3.125 10 0 EGAEHO CCN(CCC[NH+]1CCCC1)Cc1ccccc1-c1ccnn1C ZINC000353519603 456731612 /nfs/dbraw/zinc/73/16/12/456731612.db2.gz MYANGIXZYPWWGW-UHFFFAOYSA-N 1 3 326.488 3.395 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(CC)C2)c2ccccc21 ZINC000283199433 456734707 /nfs/dbraw/zinc/73/47/07/456734707.db2.gz LGAVMFXACUJPQP-ATZDWAIDSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199433 456734714 /nfs/dbraw/zinc/73/47/14/456734714.db2.gz LGAVMFXACUJPQP-ATZDWAIDSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@H]2CC[N@@H+](CC)C2)c2ccccc21 ZINC000283199433 456734719 /nfs/dbraw/zinc/73/47/19/456734719.db2.gz LGAVMFXACUJPQP-ATZDWAIDSA-N 1 3 330.472 3.100 10 0 EGAEHO Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000353525322 456737037 /nfs/dbraw/zinc/73/70/37/456737037.db2.gz YGFDOSUNAJBHQI-GOSISDBHSA-N 1 3 338.499 3.251 10 0 EGAEHO Cn1nccc1-c1ccccc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000353525322 456737040 /nfs/dbraw/zinc/73/70/40/456737040.db2.gz YGFDOSUNAJBHQI-GOSISDBHSA-N 1 3 338.499 3.251 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000354095691 457059531 /nfs/dbraw/zinc/05/95/31/457059531.db2.gz DDCQDLDUQASPHC-LJQANCHMSA-N 1 3 342.487 3.009 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(OC)C2)CC1 ZINC000355197815 457347108 /nfs/dbraw/zinc/34/71/08/457347108.db2.gz JOGFGRKFBYGRNA-NRFANRHFSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(OC)C2)CC1 ZINC000355197815 457347113 /nfs/dbraw/zinc/34/71/13/457347113.db2.gz JOGFGRKFBYGRNA-NRFANRHFSA-N 1 3 345.531 3.220 10 0 EGAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000381178349 457420697 /nfs/dbraw/zinc/42/06/97/457420697.db2.gz IBGKXCFKERDYKG-YLJYHZDGSA-N 1 3 339.483 3.103 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000397571582 457488295 /nfs/dbraw/zinc/48/82/95/457488295.db2.gz YVCUWUXNKYSJQI-WSTZPKSXSA-N 1 3 330.516 3.428 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511678 457762459 /nfs/dbraw/zinc/76/24/59/457762459.db2.gz URYNUQVEOGYRBN-KSZLIROESA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361511678 457762466 /nfs/dbraw/zinc/76/24/66/457762466.db2.gz URYNUQVEOGYRBN-KSZLIROESA-N 1 3 335.536 3.020 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358178639 457839174 /nfs/dbraw/zinc/83/91/74/457839174.db2.gz DKMUYKJBOOLOOS-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358178639 457839180 /nfs/dbraw/zinc/83/91/80/457839180.db2.gz DKMUYKJBOOLOOS-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cc2c(s1)CCC2 ZINC000358231691 457875392 /nfs/dbraw/zinc/87/53/92/457875392.db2.gz AELXSTIQAPRSGX-AWEZNQCLSA-N 1 3 345.512 3.423 10 0 EGAEHO CC1=CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234261 457876195 /nfs/dbraw/zinc/87/61/95/457876195.db2.gz WWDDRZYNOLWIKP-CTNGQTDRSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234261 457876204 /nfs/dbraw/zinc/87/62/04/457876204.db2.gz WWDDRZYNOLWIKP-CTNGQTDRSA-N 1 3 327.516 3.281 10 0 EGAEHO CC1=CCN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234261 457876211 /nfs/dbraw/zinc/87/62/11/457876211.db2.gz WWDDRZYNOLWIKP-CTNGQTDRSA-N 1 3 327.516 3.281 10 0 EGAEHO CCc1oc(C(=O)OC)cc1CN1CCC(C[NH+](CC)CC)CC1 ZINC000426990715 457932693 /nfs/dbraw/zinc/93/26/93/457932693.db2.gz JQCTVDIZEGHVCR-UHFFFAOYSA-N 1 3 336.476 3.182 10 0 EGAEHO COC1CCC(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000361926039 457959140 /nfs/dbraw/zinc/95/91/40/457959140.db2.gz PRGZVSQXMRHXNW-LRYGQEGESA-N 1 3 334.504 3.483 10 0 EGAEHO C[C@@H]1CCCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000358378123 457963990 /nfs/dbraw/zinc/96/39/90/457963990.db2.gz BQZNABWLPMMHKI-GOSISDBHSA-N 1 3 343.515 3.163 10 0 EGAEHO Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407295 457983826 /nfs/dbraw/zinc/98/38/26/457983826.db2.gz TZXOQYJIHIRXSG-YJBOKZPZSA-N 1 3 348.512 3.381 10 0 EGAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccccc1CCN(C)C ZINC000446593521 458201731 /nfs/dbraw/zinc/20/17/31/458201731.db2.gz OKKPHUOHMPLSRQ-CALCHBBNSA-N 1 3 346.519 3.175 10 0 EGAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccccc1CCN(C)C ZINC000446593521 458201740 /nfs/dbraw/zinc/20/17/40/458201740.db2.gz OKKPHUOHMPLSRQ-CALCHBBNSA-N 1 3 346.519 3.175 10 0 EGAEHO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(CN2CCCC2)c1 ZINC000376593742 458348020 /nfs/dbraw/zinc/34/80/20/458348020.db2.gz ASBAQRMBPQUBMT-UHFFFAOYSA-N 1 3 341.499 3.029 10 0 EGAEHO CCC[NH+]1CCC(CNCc2ccnn2-c2ccccc2OC)CC1 ZINC000430000791 458389437 /nfs/dbraw/zinc/38/94/37/458389437.db2.gz AFOUIEWQIAUQJU-UHFFFAOYSA-N 1 3 342.487 3.093 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CN)C2CCCC2)CC1 ZINC000423495672 458443027 /nfs/dbraw/zinc/44/30/27/458443027.db2.gz CKHKMIZAKXNOLW-UTKZUKDTSA-N 1 3 329.532 3.189 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000480161535 459186369 /nfs/dbraw/zinc/18/63/69/459186369.db2.gz RYAUGVPTRPJUNQ-FPOVZHCZSA-N 1 3 329.532 3.363 10 0 EGAEHO CC1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615844 459210205 /nfs/dbraw/zinc/21/02/05/459210205.db2.gz UANUXUCLEMEBHT-CTNGQTDRSA-N 1 3 329.532 3.219 10 0 EGAEHO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000560539361 459369603 /nfs/dbraw/zinc/36/96/03/459369603.db2.gz IKTRBRWSPJODBJ-VAMGGRTRSA-N 1 3 346.515 3.373 10 0 EGAEHO FC(F)(F)c1cccc(CCNC2CC[NH+](CC3CC3)CC2)n1 ZINC000582620525 459397717 /nfs/dbraw/zinc/39/77/17/459397717.db2.gz IWFDTVOTVSUJQI-UHFFFAOYSA-N 1 3 327.394 3.107 10 0 EGAEHO CC(C)OC[C@@H](O)CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000582959697 459457941 /nfs/dbraw/zinc/45/79/41/459457941.db2.gz KBCIEQIBSZLDPS-NRFANRHFSA-N 1 3 348.531 3.327 10 0 EGAEHO CC(C)OC[C@@H](O)CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000582959697 459457949 /nfs/dbraw/zinc/45/79/49/459457949.db2.gz KBCIEQIBSZLDPS-NRFANRHFSA-N 1 3 348.531 3.327 10 0 EGAEHO CC(C)C[C@H](CNC1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC000562969023 459682313 /nfs/dbraw/zinc/68/23/13/459682313.db2.gz ZIPULTMLGRXJOI-QGZVFWFLSA-N 1 3 338.536 3.454 10 0 EGAEHO c1ccc2c(c1)O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CS2 ZINC000574811680 459875731 /nfs/dbraw/zinc/87/57/31/459875731.db2.gz NYLZCOQUUIPJNB-QBPKDAKJSA-N 1 3 332.513 3.440 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(CCOC2CCOCC2)CC1 ZINC000625133323 460044217 /nfs/dbraw/zinc/04/42/17/460044217.db2.gz ZJDFWUWGHFHJAU-UHFFFAOYSA-N 1 3 346.515 3.026 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(CCOC2CCOCC2)CC1 ZINC000625133323 460044224 /nfs/dbraw/zinc/04/42/24/460044224.db2.gz ZJDFWUWGHFHJAU-UHFFFAOYSA-N 1 3 346.515 3.026 10 0 EGAEHO CCOc1ccc([C@H](CC)[NH2+]CC2(N)CCOCC2)cc1OCC ZINC000629522348 460793769 /nfs/dbraw/zinc/79/37/69/460793769.db2.gz XWWLJIYTFPSXEN-INIZCTEOSA-N 1 3 336.476 3.033 10 0 EGAEHO Clc1cccc2c(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556171 460806194 /nfs/dbraw/zinc/80/61/94/460806194.db2.gz LUCNAZKWNDDXAF-CGTJXYLNSA-N 1 3 347.890 3.111 10 0 EGAEHO CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCN(CC)C1 ZINC000617924944 461024767 /nfs/dbraw/zinc/02/47/67/461024767.db2.gz BMNGAAQGRYGCOW-HXUWFJFHSA-N 1 3 343.515 3.229 10 0 EGAEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(NC3CC3)CCC2)CC1 ZINC000662721171 461357711 /nfs/dbraw/zinc/35/77/11/461357711.db2.gz KULUUBGGEVKSLJ-INIZCTEOSA-N 1 3 341.499 3.003 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CS1 ZINC000655701760 461374731 /nfs/dbraw/zinc/37/47/31/461374731.db2.gz ZLNCKRQSOCSILU-MOPGFXCFSA-N 1 3 347.572 3.463 10 0 EGAEHO CC(C)(C)c1ccc(CC[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1 ZINC000668740890 461410873 /nfs/dbraw/zinc/41/08/73/461410873.db2.gz YFBMXEKQUTYXIP-HXUWFJFHSA-N 1 3 330.516 3.058 10 0 EGAEHO CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000634125860 461430319 /nfs/dbraw/zinc/43/03/19/461430319.db2.gz ZLRWBPJVPLOJIZ-GOSISDBHSA-N 1 3 335.536 3.116 10 0 EGAEHO OCCCOC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000663097312 461456028 /nfs/dbraw/zinc/45/60/28/461456028.db2.gz WGZUCLXYJSFALS-UHFFFAOYSA-N 1 3 346.515 3.036 10 0 EGAEHO Cc1c([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000655805093 461464444 /nfs/dbraw/zinc/46/44/44/461464444.db2.gz BQNYBKMTSCMWDD-RVSPLBMKSA-N 1 3 347.894 3.220 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000631073763 461525671 /nfs/dbraw/zinc/52/56/71/461525671.db2.gz ORHONQKFLLGEOM-ZBFHGGJFSA-N 1 3 341.446 3.246 10 0 EGAEHO CC(C)C[N@H+](C)CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000650178766 461625524 /nfs/dbraw/zinc/62/55/24/461625524.db2.gz DFJMMIMPKLASHC-UHFFFAOYSA-N 1 3 345.487 3.202 10 0 EGAEHO CC(C)C[N@@H+](C)CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000650178766 461625532 /nfs/dbraw/zinc/62/55/32/461625532.db2.gz DFJMMIMPKLASHC-UHFFFAOYSA-N 1 3 345.487 3.202 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000643294040 461671241 /nfs/dbraw/zinc/67/12/41/461671241.db2.gz GOTGVSQWYRFUCZ-KRWDZBQOSA-N 1 3 334.529 3.250 10 0 EGAEHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CC2CC2)c2ccccc2)CC1 ZINC000663598551 461721130 /nfs/dbraw/zinc/72/11/30/461721130.db2.gz VBJYZVVKKATRQT-HXUWFJFHSA-N 1 3 343.515 3.106 10 0 EGAEHO Cc1cccc(Cl)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666732050 461780201 /nfs/dbraw/zinc/78/02/01/461780201.db2.gz RDBOYZRSLWZATF-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO Cc1cccc(Cl)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666732050 461780206 /nfs/dbraw/zinc/78/02/06/461780206.db2.gz RDBOYZRSLWZATF-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO c1cnn(C2CC([NH2+]C[C@@H]3CCCCN(Cc4ccccc4)C3)C2)c1 ZINC000639196393 461795927 /nfs/dbraw/zinc/79/59/27/461795927.db2.gz ZPLCYTFYLCPKEF-MWXLCCTBSA-N 1 3 338.499 3.479 10 0 EGAEHO Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784771 461893758 /nfs/dbraw/zinc/89/37/58/461893758.db2.gz HDSSUQDXSDJGLD-LJQANCHMSA-N 1 3 338.499 3.392 10 0 EGAEHO Cc1ncc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)n1-c1ccccc1 ZINC000656786715 461898433 /nfs/dbraw/zinc/89/84/33/461898433.db2.gz WWHHJZPPXLACCN-LJQANCHMSA-N 1 3 338.499 3.392 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000650719086 461911722 /nfs/dbraw/zinc/91/17/22/461911722.db2.gz CPUISRPWHZETHN-AWEZNQCLSA-N 1 3 329.419 3.052 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c(OC(F)F)c1 ZINC000650718736 461911906 /nfs/dbraw/zinc/91/19/06/461911906.db2.gz VMQSABKIHHMYBH-UHFFFAOYSA-N 1 3 336.382 3.306 10 0 EGAEHO CCN1CCN(CCC[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657308659 462032437 /nfs/dbraw/zinc/03/24/37/462032437.db2.gz VFHWSUOZQBNULH-UHFFFAOYSA-N 1 3 329.532 3.461 10 0 EGAEHO CCc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c2ccccc2n1 ZINC000664659283 462142409 /nfs/dbraw/zinc/14/24/09/462142409.db2.gz WMYVNWSHYHVKPG-KRWDZBQOSA-N 1 3 327.472 3.344 10 0 EGAEHO COc1ccsc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138462 462401965 /nfs/dbraw/zinc/40/19/65/462401965.db2.gz NUHXMMSMYUJJAS-WMLDXEAASA-N 1 3 346.496 3.174 10 0 EGAEHO COc1ccsc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138462 462401972 /nfs/dbraw/zinc/40/19/72/462401972.db2.gz NUHXMMSMYUJJAS-WMLDXEAASA-N 1 3 346.496 3.174 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)C1 ZINC000658140613 462404015 /nfs/dbraw/zinc/40/40/15/462404015.db2.gz VISKHWQJGZATFB-VQTJNVASSA-N 1 3 328.500 3.456 10 0 EGAEHO COc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658146509 462406910 /nfs/dbraw/zinc/40/69/10/462406910.db2.gz VLRWECKIELZEKP-JXFKEZNVSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658146509 462406917 /nfs/dbraw/zinc/40/69/17/462406917.db2.gz VLRWECKIELZEKP-JXFKEZNVSA-N 1 3 340.467 3.113 10 0 EGAEHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cn2ccccc2n1 ZINC000658167936 462416590 /nfs/dbraw/zinc/41/65/90/462416590.db2.gz USVGBXHNQFDINT-QGZVFWFLSA-N 1 3 349.482 3.292 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000652063148 462422458 /nfs/dbraw/zinc/42/24/58/462422458.db2.gz FRFGXPWTECBMIN-IBGZPJMESA-N 1 3 349.469 3.450 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000652063148 462422465 /nfs/dbraw/zinc/42/24/65/462422465.db2.gz FRFGXPWTECBMIN-IBGZPJMESA-N 1 3 349.469 3.450 10 0 EGAEHO OC1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000658284237 462456045 /nfs/dbraw/zinc/45/60/45/462456045.db2.gz GCJODBYXYQEISL-NNRACAPJSA-N 1 3 342.527 3.428 10 0 EGAEHO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000652246060 462488138 /nfs/dbraw/zinc/48/81/38/462488138.db2.gz KEWKLUZPALVDOP-HRAATJIYSA-N 1 3 346.515 3.483 10 0 EGAEHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000646106135 462518956 /nfs/dbraw/zinc/51/89/56/462518956.db2.gz PSQLKZYOCIIILO-AQNXPRMDSA-N 1 3 343.515 3.017 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@@]1(C)CCCc2ccccc21 ZINC000676704089 549131312 /nfs/dbraw/zinc/13/13/12/549131312.db2.gz MSYLSLTWPXGGFI-IRLDBZIGSA-N 1 3 338.495 3.321 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@@]1(C)CCCc2ccccc21 ZINC000676704089 549131319 /nfs/dbraw/zinc/13/13/19/549131319.db2.gz MSYLSLTWPXGGFI-IRLDBZIGSA-N 1 3 338.495 3.321 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678138912 549408046 /nfs/dbraw/zinc/40/80/46/549408046.db2.gz AILXMISMCLETFP-UHFFFAOYSA-N 1 3 343.515 3.133 10 0 EGAEHO Nc1ncc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000310507807 1297094827 /nfs/dbraw/zinc/09/48/27/1297094827.db2.gz KXECALKOVMIRBD-UHFFFAOYSA-N 1 3 342.512 3.213 10 0 EGAEHO COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000379633418 1297536508 /nfs/dbraw/zinc/53/65/08/1297536508.db2.gz UJPHYPFJMYMGDM-SJLPKXTDSA-N 1 3 325.456 3.233 10 0 EGAEHO COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379633416 1297537050 /nfs/dbraw/zinc/53/70/50/1297537050.db2.gz UJPHYPFJMYMGDM-FUHWJXTLSA-N 1 3 325.456 3.233 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560124 1298280455 /nfs/dbraw/zinc/28/04/55/1298280455.db2.gz XJRGPKFSYUQGHY-QBPKDAKJSA-N 1 3 339.524 3.237 10 0 EGAEHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886609559 1303521998 /nfs/dbraw/zinc/52/19/98/1303521998.db2.gz WKIKRHUXDIWEEZ-VLQCVTHLSA-N 1 3 328.500 3.302 10 0 EGAEHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709202 1303573799 /nfs/dbraw/zinc/57/37/99/1303573799.db2.gz MKPTVTRMQANFLI-SFHVURJKSA-N 1 3 338.536 3.205 10 0 EGAEHO COC(=O)c1cc(CNCc2ccc(F)c(C[NH+](C)C)c2)cs1 ZINC000894269470 1306313908 /nfs/dbraw/zinc/31/39/08/1306313908.db2.gz OJALPBWHDYTRBQ-UHFFFAOYSA-N 1 3 336.432 3.025 10 0 EGAEHO FC(F)(F)c1ccccc1CN(C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923303943 1322730072 /nfs/dbraw/zinc/73/00/72/1322730072.db2.gz MYCQUGRUAHCADN-OAHLLOKOSA-N 1 3 340.389 3.048 10 0 EGAEHO CC(C)CCN1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000924562236 1323056232 /nfs/dbraw/zinc/05/62/32/1323056232.db2.gz BDSQUGTYWJIIJD-KRWDZBQOSA-N 1 3 341.503 3.428 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](C)CN2CCCCC2)n(C)n1 ZINC000924722259 1323133470 /nfs/dbraw/zinc/13/34/70/1323133470.db2.gz QQNZVBPZJRAVMN-IMFGXOCKSA-N 1 3 332.536 3.151 10 0 EGAEHO CC1=C(C)C[C@@](C)(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000931216070 1329072964 /nfs/dbraw/zinc/07/29/64/1329072964.db2.gz BOGDEDWTVUKDPK-NRFANRHFSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@@H](COCc1ccccc1)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931283657 1329085379 /nfs/dbraw/zinc/08/53/79/1329085379.db2.gz FYQHIARLXHKQJK-LJQANCHMSA-N 1 3 346.515 3.026 10 0 EGAEHO C[C@@H](COCc1ccccc1)CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931283657 1329085384 /nfs/dbraw/zinc/08/53/84/1329085384.db2.gz FYQHIARLXHKQJK-LJQANCHMSA-N 1 3 346.515 3.026 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cnn(C2CCC2)c1 ZINC000925440381 1325150290 /nfs/dbraw/zinc/15/02/90/1325150290.db2.gz RDYUTCDWZXAFBT-BRWVUGGUSA-N 1 3 334.508 3.148 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(COC3CCOCC3)c2)C1 ZINC000925476280 1325167849 /nfs/dbraw/zinc/16/78/49/1325167849.db2.gz HHVYOUNMUGFQOQ-RTBURBONSA-N 1 3 346.515 3.378 10 0 EGAEHO CC1(C)[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H]2CCCN[C@@H]21 ZINC000925545639 1325201525 /nfs/dbraw/zinc/20/15/25/1325201525.db2.gz ZDATWSGLXTXAME-CEXWTWQISA-N 1 3 328.500 3.101 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000925566675 1325213630 /nfs/dbraw/zinc/21/36/30/1325213630.db2.gz KYSIFTKFPJHXCT-BVGQSLNGSA-N 1 3 333.545 3.321 10 0 EGAEHO CC1(C)[C@@H](NCCCc2nc3c(s2)CCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925566675 1325213638 /nfs/dbraw/zinc/21/36/38/1325213638.db2.gz KYSIFTKFPJHXCT-BVGQSLNGSA-N 1 3 333.545 3.321 10 0 EGAEHO CC1(C)C[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)C[C@@H]([NH3+])C1 ZINC000925581522 1325219750 /nfs/dbraw/zinc/21/97/50/1325219750.db2.gz ZVLPQECCMBGRGE-MOPGFXCFSA-N 1 3 343.515 3.308 10 0 EGAEHO c1cc2c(cc1CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)OCCO2 ZINC000925581636 1325219933 /nfs/dbraw/zinc/21/99/33/1325219933.db2.gz UDPYVNKROOBIQW-RTBURBONSA-N 1 3 344.499 3.148 10 0 EGAEHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594271 1325224931 /nfs/dbraw/zinc/22/49/31/1325224931.db2.gz QDSLWMCOSWIOHD-IAGOWNOFSA-N 1 3 334.891 3.248 10 0 EGAEHO [NH3+][C@H]1C[C@H](NCCOCc2ccc(Cl)cc2Cl)C12CCC2 ZINC000925634374 1325240802 /nfs/dbraw/zinc/24/08/02/1325240802.db2.gz HQRCYMHFAKWKQE-GJZGRUSLSA-N 1 3 329.271 3.370 10 0 EGAEHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC000925703625 1325265561 /nfs/dbraw/zinc/26/55/61/1325265561.db2.gz DJTFDJQKYCRDFK-QIYLELGZSA-N 1 3 346.490 3.314 10 0 EGAEHO Cc1ccc(C[C@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925792995 1325305208 /nfs/dbraw/zinc/30/52/08/1325305208.db2.gz CVXXWHXGIHEEGQ-PMACEKPBSA-N 1 3 330.516 3.310 10 0 EGAEHO Cc1ccc2cc([C@@H](C)NC[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850737 1325329187 /nfs/dbraw/zinc/32/91/87/1325329187.db2.gz PPYWGECWBRJYGC-ZBFHGGJFSA-N 1 3 342.439 3.077 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CCOCC1 ZINC000863541533 1329561757 /nfs/dbraw/zinc/56/17/57/1329561757.db2.gz NYOABAIXACOBOA-OAHLLOKOSA-N 1 3 342.455 3.476 10 0 EGAEHO CC[NH+](CC)CCOCCN[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866338038 1330098346 /nfs/dbraw/zinc/09/83/46/1330098346.db2.gz NPYFOSFUWAVLDI-ZDUSSCGKSA-N 1 3 339.867 3.490 10 0 EGAEHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000868167863 1330258089 /nfs/dbraw/zinc/25/80/89/1330258089.db2.gz NMBPKOWSXGEVBM-UHFFFAOYSA-N 1 3 344.503 3.122 10 0 EGAEHO CC(C)(C)CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001323244598 1387316903 /nfs/dbraw/zinc/31/69/03/1387316903.db2.gz ARTWVFOEFHVGGX-MOPGFXCFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)(C)CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001323244598 1387316905 /nfs/dbraw/zinc/31/69/05/1387316905.db2.gz ARTWVFOEFHVGGX-MOPGFXCFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001323358267 1387350883 /nfs/dbraw/zinc/35/08/83/1387350883.db2.gz RWKBVDAYHMYIAJ-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358267 1387350888 /nfs/dbraw/zinc/35/08/88/1387350888.db2.gz RWKBVDAYHMYIAJ-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358267 1387350892 /nfs/dbraw/zinc/35/08/92/1387350892.db2.gz RWKBVDAYHMYIAJ-RBUKOAKNSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001324099391 1387542072 /nfs/dbraw/zinc/54/20/72/1387542072.db2.gz VUYWTFBBDCLVCM-PKOBYXMFSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778128 1388044830 /nfs/dbraw/zinc/04/48/30/1388044830.db2.gz CBPAHXRLVGFACJ-QGFMHUBQSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778128 1388044831 /nfs/dbraw/zinc/04/48/31/1388044831.db2.gz CBPAHXRLVGFACJ-QGFMHUBQSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001326541540 1388234295 /nfs/dbraw/zinc/23/42/95/1388234295.db2.gz JTAMMLKZFGXKRS-FHWLQOOXSA-N 1 3 337.552 3.314 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1sc(N2CCCCC2)nc1C ZINC001326728102 1388292050 /nfs/dbraw/zinc/29/20/50/1388292050.db2.gz LHVRORFXEYHXBJ-UHFFFAOYSA-N 1 3 344.528 3.451 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1)N1CCCC1 ZINC001326864169 1388333629 /nfs/dbraw/zinc/33/36/29/1388333629.db2.gz IUZVXNDSZRNAOL-UHFFFAOYSA-N 1 3 347.547 3.380 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1)N1CCCCCC1 ZINC001326898314 1388342925 /nfs/dbraw/zinc/34/29/25/1388342925.db2.gz GMWNELSHSNFZTR-QGZVFWFLSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@H](c1ccccc1)[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001266159430 1377211116 /nfs/dbraw/zinc/21/11/16/1377211116.db2.gz PWMSTADGYUMHHA-QZTJIDSGSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@H](c1ccccc1)[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001266159430 1377211117 /nfs/dbraw/zinc/21/11/17/1377211117.db2.gz PWMSTADGYUMHHA-QZTJIDSGSA-N 1 3 343.515 3.060 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001269544680 1377557944 /nfs/dbraw/zinc/55/79/44/1377557944.db2.gz OMBIWLNWNZLDDK-KRWDZBQOSA-N 1 3 345.531 3.450 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001271090889 1377623734 /nfs/dbraw/zinc/62/37/34/1377623734.db2.gz BZLXJIDILRVCAJ-OXQOHEQNSA-N 1 3 345.531 3.087 10 0 EGAEHO CN(C)C1(C(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)CCC1 ZINC001275609059 1378148198 /nfs/dbraw/zinc/14/81/98/1378148198.db2.gz KYVUCOLMYHJDQV-UHFFFAOYSA-N 1 3 335.536 3.020 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)C ZINC001281968892 1378465784 /nfs/dbraw/zinc/46/57/84/1378465784.db2.gz QZHNOVLUPKJTAM-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)C ZINC001281968892 1378465786 /nfs/dbraw/zinc/46/57/86/1378465786.db2.gz QZHNOVLUPKJTAM-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541837 1388556217 /nfs/dbraw/zinc/55/62/17/1388556217.db2.gz RGNOMCDGEPGARW-GIWCCYDRSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541837 1388556220 /nfs/dbraw/zinc/55/62/20/1388556220.db2.gz RGNOMCDGEPGARW-GIWCCYDRSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541836 1388556826 /nfs/dbraw/zinc/55/68/26/1388556826.db2.gz RGNOMCDGEPGARW-CQQBXOTJSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541836 1388556830 /nfs/dbraw/zinc/55/68/30/1388556830.db2.gz RGNOMCDGEPGARW-CQQBXOTJSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001282732852 1378581675 /nfs/dbraw/zinc/58/16/75/1378581675.db2.gz AZFDYMOPLHNFKE-QGZVFWFLSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001282741929 1378592802 /nfs/dbraw/zinc/59/28/02/1378592802.db2.gz VSXNPLCMWQRXQA-ZWKOTPCHSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCC2CCCCC2)CC1 ZINC001283340759 1378824956 /nfs/dbraw/zinc/82/49/56/1378824956.db2.gz PQKVMUVZFUNMAA-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCC2CCCCC2)CC1 ZINC001283340759 1378824960 /nfs/dbraw/zinc/82/49/60/1378824960.db2.gz PQKVMUVZFUNMAA-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001284034742 1379384892 /nfs/dbraw/zinc/38/48/92/1379384892.db2.gz VBZSMFOEHSVGSF-LDBCMITESA-N 1 3 343.515 3.297 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001327902341 1388619669 /nfs/dbraw/zinc/61/96/69/1388619669.db2.gz LQZKEBZRDASSPM-SJORKVTESA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297487 1379685426 /nfs/dbraw/zinc/68/54/26/1379685426.db2.gz URLGYJUXLJDDOI-SJORKVTESA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001284529689 1379934636 /nfs/dbraw/zinc/93/46/36/1379934636.db2.gz KQGBCJVACQEFRD-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CCCC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001284529689 1379934641 /nfs/dbraw/zinc/93/46/41/1379934641.db2.gz KQGBCJVACQEFRD-LJQANCHMSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001290244809 1382076932 /nfs/dbraw/zinc/07/69/32/1382076932.db2.gz NBKODJHSMYIKIH-INIZCTEOSA-N 1 3 342.487 3.285 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001290244809 1382076935 /nfs/dbraw/zinc/07/69/35/1382076935.db2.gz NBKODJHSMYIKIH-INIZCTEOSA-N 1 3 342.487 3.285 10 0 EGAEHO CCCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001316671556 1384514252 /nfs/dbraw/zinc/51/42/52/1384514252.db2.gz SXDRNBMGNQNXFK-RBUKOAKNSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316678916 1384520341 /nfs/dbraw/zinc/52/03/41/1384520341.db2.gz MJXJDUSUCOBHSM-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811619 1384609349 /nfs/dbraw/zinc/60/93/49/1384609349.db2.gz NPYOUZHHYHLLQT-MOPGFXCFSA-N 1 3 345.531 3.134 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC(C)(C)C1)N(C)C ZINC001316811619 1384609353 /nfs/dbraw/zinc/60/93/53/1384609353.db2.gz NPYOUZHHYHLLQT-MOPGFXCFSA-N 1 3 345.531 3.134 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC001317103153 1384866438 /nfs/dbraw/zinc/86/64/38/1384866438.db2.gz DMXSTZIUJQOEQT-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001317103153 1384866442 /nfs/dbraw/zinc/86/64/42/1384866442.db2.gz DMXSTZIUJQOEQT-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317140685 1384908095 /nfs/dbraw/zinc/90/80/95/1384908095.db2.gz RSQLGBTUZNARDS-SBUVDCAVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317140685 1384908097 /nfs/dbraw/zinc/90/80/97/1384908097.db2.gz RSQLGBTUZNARDS-SBUVDCAVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@@H](C(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1)N(C)C ZINC001317226829 1385005971 /nfs/dbraw/zinc/00/59/71/1385005971.db2.gz QCUSETGWNFEVET-ACBHZAAOSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccccc1C)N(C)C ZINC001317433423 1385137359 /nfs/dbraw/zinc/13/73/59/1385137359.db2.gz DSSFJZABZZEOPO-PMACEKPBSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccccc1C)N(C)C ZINC001317433423 1385137361 /nfs/dbraw/zinc/13/73/61/1385137361.db2.gz DSSFJZABZZEOPO-PMACEKPBSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505330 1385211683 /nfs/dbraw/zinc/21/16/83/1385211683.db2.gz KSYSQYFACPXGMH-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001317505330 1385211684 /nfs/dbraw/zinc/21/16/84/1385211684.db2.gz KSYSQYFACPXGMH-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512873 1385225513 /nfs/dbraw/zinc/22/55/13/1385225513.db2.gz QCLKFCKXZFZQEK-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317527456 1385249011 /nfs/dbraw/zinc/24/90/11/1385249011.db2.gz DEYZTUKWUYZPTA-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001317527456 1385249015 /nfs/dbraw/zinc/24/90/15/1385249015.db2.gz DEYZTUKWUYZPTA-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681440 1385389913 /nfs/dbraw/zinc/38/99/13/1385389913.db2.gz IWBYJAPVLDECOZ-IEBWSBKVSA-N 1 3 335.536 3.044 10 0 EGAEHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001317787172 1385480061 /nfs/dbraw/zinc/48/00/61/1385480061.db2.gz CYIAGNJLDBATCL-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)CCC1 ZINC001317787172 1385480063 /nfs/dbraw/zinc/48/00/63/1385480063.db2.gz CYIAGNJLDBATCL-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1 ZINC001318953178 1385894581 /nfs/dbraw/zinc/89/45/81/1385894581.db2.gz NUQNSEGELYBNKN-UFYCRDLUSA-N 1 3 349.563 3.457 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001322693561 1387226300 /nfs/dbraw/zinc/22/63/00/1387226300.db2.gz IEVUUNOWNIMUNU-UHFFFAOYSA-N 1 3 347.547 3.219 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001329204195 1389021194 /nfs/dbraw/zinc/02/11/94/1389021194.db2.gz XTDUNYRMKOTJPE-SJORKVTESA-N 1 3 341.499 3.163 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001329458804 1389116720 /nfs/dbraw/zinc/11/67/20/1389116720.db2.gz DFQOQVAREXFHHN-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001329458804 1389116724 /nfs/dbraw/zinc/11/67/24/1389116724.db2.gz DFQOQVAREXFHHN-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCCC1 ZINC001329819498 1389230933 /nfs/dbraw/zinc/23/09/33/1389230933.db2.gz YOPYWRUNJBHPFU-IAGOWNOFSA-N 1 3 341.515 3.016 10 0 EGAEHO CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001329937265 1389266381 /nfs/dbraw/zinc/26/63/81/1389266381.db2.gz NQEYWBVRQZMPIB-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001329937265 1389266384 /nfs/dbraw/zinc/26/63/84/1389266384.db2.gz NQEYWBVRQZMPIB-RTBURBONSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001698739423 1406390549 /nfs/dbraw/zinc/39/05/49/1406390549.db2.gz SQQUEOWFOLWDHD-UHFFFAOYSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001698739423 1406390551 /nfs/dbraw/zinc/39/05/51/1406390551.db2.gz SQQUEOWFOLWDHD-UHFFFAOYSA-N 1 3 347.547 3.143 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113807 1389991295 /nfs/dbraw/zinc/99/12/95/1389991295.db2.gz UDLKKZXABQGOOR-HBFSDRIKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC=C(C)C)CC2)N(CC)CC ZINC001332113807 1389991297 /nfs/dbraw/zinc/99/12/97/1389991297.db2.gz UDLKKZXABQGOOR-HBFSDRIKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[N@H+](CCC1CCN(Cc2cc(C)nnc2C)CC1)CC1CC1 ZINC001351166006 1391606201 /nfs/dbraw/zinc/60/62/01/1391606201.db2.gz UUGPWDCUCOCQPV-UHFFFAOYSA-N 1 3 330.520 3.427 10 0 EGAEHO CC[N@@H+](CCC1CCN(Cc2cc(C)nnc2C)CC1)CC1CC1 ZINC001351166006 1391606202 /nfs/dbraw/zinc/60/62/02/1391606202.db2.gz UUGPWDCUCOCQPV-UHFFFAOYSA-N 1 3 330.520 3.427 10 0 EGAEHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1)N(C)C ZINC001479693832 1392324933 /nfs/dbraw/zinc/32/49/33/1392324933.db2.gz GFGOPBDSQCMDDJ-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001479693736 1392324993 /nfs/dbraw/zinc/32/49/93/1392324993.db2.gz DDFNYLINYKATKQ-QUCCMNQESA-N 1 3 345.531 3.450 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@H+](CC)[C@H]1CCCc2ccccc21)N(C)C ZINC001479854167 1392434678 /nfs/dbraw/zinc/43/46/78/1392434678.db2.gz BXWSQBJSUGVZBB-PMACEKPBSA-N 1 3 345.531 3.232 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@@H+](CC)[C@H]1CCCc2ccccc21)N(C)C ZINC001479854167 1392434681 /nfs/dbraw/zinc/43/46/81/1392434681.db2.gz BXWSQBJSUGVZBB-PMACEKPBSA-N 1 3 345.531 3.232 10 0 EGAEHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCCN2CC)c1 ZINC001698859243 1406568456 /nfs/dbraw/zinc/56/84/56/1406568456.db2.gz BQXSCFOHPHOPGK-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085159 1392575017 /nfs/dbraw/zinc/57/50/17/1392575017.db2.gz QBDKFABXYDDITM-SJORKVTESA-N 1 3 349.494 3.009 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001480302093 1392666556 /nfs/dbraw/zinc/66/65/56/1392666556.db2.gz GCZLFKUIFNCLOR-IBGZPJMESA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001480384826 1392729699 /nfs/dbraw/zinc/72/96/99/1392729699.db2.gz ATHAESMGZWEWPV-UYAOXDASSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001480384826 1392729700 /nfs/dbraw/zinc/72/97/00/1392729700.db2.gz ATHAESMGZWEWPV-UYAOXDASSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001480403685 1392741927 /nfs/dbraw/zinc/74/19/27/1392741927.db2.gz RYYNFWMOKUFVDM-SOAGJPPSSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480703112 1392866854 /nfs/dbraw/zinc/86/68/54/1392866854.db2.gz WDMCWUHYEQNZKU-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703350 1392866954 /nfs/dbraw/zinc/86/69/54/1392866954.db2.gz YGRWAHDYIUCIDN-OALUTQOASA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001490311049 1393174241 /nfs/dbraw/zinc/17/42/41/1393174241.db2.gz GMBRUBHXJDSFPQ-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001490311050 1393174309 /nfs/dbraw/zinc/17/43/09/1393174309.db2.gz GMBRUBHXJDSFPQ-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001698918110 1406652830 /nfs/dbraw/zinc/65/28/30/1406652830.db2.gz SCXSBXLHDNSYMR-IBGZPJMESA-N 1 3 346.519 3.283 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001698928856 1406665107 /nfs/dbraw/zinc/66/51/07/1406665107.db2.gz MXDMWPSWWQSJHH-YZBXUTEPSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939213 1406679129 /nfs/dbraw/zinc/67/91/29/1406679129.db2.gz OWKPYUXQAZFNRJ-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001490597279 1394278579 /nfs/dbraw/zinc/27/85/79/1394278579.db2.gz OOHUMTHLHHBQNF-JCMVTEASSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001491081162 1394421675 /nfs/dbraw/zinc/42/16/75/1394421675.db2.gz YLVTZLFEAMPOCU-FFZOFVMBSA-N 1 3 345.531 3.281 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218701 1394477466 /nfs/dbraw/zinc/47/74/66/1394477466.db2.gz JBDMAPFKVGGOJU-QWNKOJSDSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001491218701 1394477469 /nfs/dbraw/zinc/47/74/69/1394477469.db2.gz JBDMAPFKVGGOJU-QWNKOJSDSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001482174276 1394787718 /nfs/dbraw/zinc/78/77/18/1394787718.db2.gz XPHSWNDQGNSLCB-CABCVRRESA-N 1 3 339.911 3.083 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001482432721 1394993099 /nfs/dbraw/zinc/99/30/99/1394993099.db2.gz IDALENXPZUTOLV-IAGOWNOFSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001482493915 1395046401 /nfs/dbraw/zinc/04/64/01/1395046401.db2.gz IJCAPYPTUUYSAI-APWZRJJASA-N 1 3 346.519 3.139 10 0 EGAEHO C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001484562191 1395448401 /nfs/dbraw/zinc/44/84/01/1395448401.db2.gz XHZPYSSPEBAPDS-SJORKVTESA-N 1 3 343.515 3.095 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C)N(C)C ZINC001485583133 1396058178 /nfs/dbraw/zinc/05/81/78/1396058178.db2.gz YMXHEPHBCSLQEK-DLBZAZTESA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CCCC(C)(C)C)CC1(C)C)N(C)C ZINC001485583133 1396058185 /nfs/dbraw/zinc/05/81/85/1396058185.db2.gz YMXHEPHBCSLQEK-DLBZAZTESA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586760 1396063195 /nfs/dbraw/zinc/06/31/95/1396063195.db2.gz QKHSRKSPYVOHMD-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C)N1CCCCC1 ZINC001485586760 1396063202 /nfs/dbraw/zinc/06/32/02/1396063202.db2.gz QKHSRKSPYVOHMD-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930739 1396170176 /nfs/dbraw/zinc/17/01/76/1396170176.db2.gz XQQSKQAIUYWFKK-SJLPKXTDSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001485960297 1396174115 /nfs/dbraw/zinc/17/41/15/1396174115.db2.gz CZZMQSLONYEFGB-KRWDZBQOSA-N 1 3 341.499 3.117 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001485961068 1396174201 /nfs/dbraw/zinc/17/42/01/1396174201.db2.gz QAAMXKHCJGXBJO-PKOBYXMFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC001486235068 1396185720 /nfs/dbraw/zinc/18/57/20/1396185720.db2.gz RFRIOUXGBGPPNB-MSOLQXFVSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001486249708 1396189405 /nfs/dbraw/zinc/18/94/05/1396189405.db2.gz JZXHTRDDACXAQH-MJGOQNOKSA-N 1 3 345.531 3.223 10 0 EGAEHO CCCCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001505394517 1396282845 /nfs/dbraw/zinc/28/28/45/1396282845.db2.gz GGVWOOIMLUZBHL-LJQANCHMSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001505394517 1396282848 /nfs/dbraw/zinc/28/28/48/1396282848.db2.gz GGVWOOIMLUZBHL-LJQANCHMSA-N 1 3 337.552 3.221 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001493830756 1396343394 /nfs/dbraw/zinc/34/33/94/1396343394.db2.gz PISPNUSTCMMWSP-LKGOPFMKSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001494576916 1396474784 /nfs/dbraw/zinc/47/47/84/1396474784.db2.gz KINLYWFFEMCGMK-ZWKOTPCHSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001496338249 1396655671 /nfs/dbraw/zinc/65/56/71/1396655671.db2.gz FGBOKBBZDSURGA-ROUUACIJSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012448 1406844345 /nfs/dbraw/zinc/84/43/45/1406844345.db2.gz DSNXGDUPYRGTOI-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)CN(C)CC(C)(C)C ZINC001497678160 1396780634 /nfs/dbraw/zinc/78/06/34/1396780634.db2.gz CMUMKYWHQPBMNL-HJCTWCACSA-N 1 3 345.531 3.296 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001498492841 1397036289 /nfs/dbraw/zinc/03/62/89/1397036289.db2.gz UZLDUGUQCQBZPR-ZWKOTPCHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362860 1403699767 /nfs/dbraw/zinc/69/97/67/1403699767.db2.gz IPJZRYWRPCXUKM-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362860 1403699769 /nfs/dbraw/zinc/69/97/69/1403699769.db2.gz IPJZRYWRPCXUKM-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689821029 1404160234 /nfs/dbraw/zinc/16/02/34/1404160234.db2.gz LQVPHJKHSBLNTH-MRXNPFEDSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001689891216 1404187324 /nfs/dbraw/zinc/18/73/24/1404187324.db2.gz TTXNBDNSSMYIBW-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001689891216 1404187331 /nfs/dbraw/zinc/18/73/31/1404187331.db2.gz TTXNBDNSSMYIBW-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1 ZINC001690312184 1404468528 /nfs/dbraw/zinc/46/85/28/1404468528.db2.gz HBDYGDVUPBWGKD-YQQQUEKLSA-N 1 3 347.547 3.019 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC2(CCC2)C1 ZINC001690312184 1404468531 /nfs/dbraw/zinc/46/85/31/1404468531.db2.gz HBDYGDVUPBWGKD-YQQQUEKLSA-N 1 3 347.547 3.019 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001690312542 1404469143 /nfs/dbraw/zinc/46/91/43/1404469143.db2.gz VHOBJGBHAOHXOG-IHWFROFDSA-N 1 3 349.563 3.409 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001690312542 1404469147 /nfs/dbraw/zinc/46/91/47/1404469147.db2.gz VHOBJGBHAOHXOG-IHWFROFDSA-N 1 3 349.563 3.409 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001690427793 1404554553 /nfs/dbraw/zinc/55/45/53/1404554553.db2.gz VYENXKCMVCEAMV-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CCC/C=C/CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001690540661 1404626972 /nfs/dbraw/zinc/62/69/72/1404626972.db2.gz XFSGOJYPPNPCAO-KOYBPFKWSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001690820157 1404755352 /nfs/dbraw/zinc/75/53/52/1404755352.db2.gz BOLAGSPWPTWKFU-RBUKOAKNSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001690820157 1404755355 /nfs/dbraw/zinc/75/53/55/1404755355.db2.gz BOLAGSPWPTWKFU-RBUKOAKNSA-N 1 3 337.552 3.362 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1)N(C)C ZINC001690901627 1404808679 /nfs/dbraw/zinc/80/86/79/1404808679.db2.gz JJMGYAKRBPOYAU-RBUKOAKNSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccc(F)c1)N(C)C ZINC001690901627 1404808683 /nfs/dbraw/zinc/80/86/83/1404808683.db2.gz JJMGYAKRBPOYAU-RBUKOAKNSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001691892976 1405615757 /nfs/dbraw/zinc/61/57/57/1405615757.db2.gz KCPPIOCSDMKHEW-RBUKOAKNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001691892976 1405615759 /nfs/dbraw/zinc/61/57/59/1405615759.db2.gz KCPPIOCSDMKHEW-RBUKOAKNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001691900795 1405624085 /nfs/dbraw/zinc/62/40/85/1405624085.db2.gz KYDCOADFLVCRBC-RTBURBONSA-N 1 3 337.552 3.290 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001692008283 1405726858 /nfs/dbraw/zinc/72/68/58/1405726858.db2.gz DIUXPUIEPYINIA-AEFFLSMTSA-N 1 3 348.535 3.385 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001692086947 1405766897 /nfs/dbraw/zinc/76/68/97/1405766897.db2.gz TXBKZRSCFBGEII-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001692086947 1405766899 /nfs/dbraw/zinc/76/68/99/1405766899.db2.gz TXBKZRSCFBGEII-UXHICEINSA-N 1 3 349.563 3.077 10 0 EGAEHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580575 1406191890 /nfs/dbraw/zinc/19/18/90/1406191890.db2.gz DIMSZZMQEXQELP-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001698580575 1406191893 /nfs/dbraw/zinc/19/18/93/1406191893.db2.gz DIMSZZMQEXQELP-RBUKOAKNSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280686 1428512532 /nfs/dbraw/zinc/51/25/32/1428512532.db2.gz LOFIVMAKMNLBEA-GHTZIAJQSA-N 1 3 349.563 3.170 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001732494521 1428615928 /nfs/dbraw/zinc/61/59/28/1428615928.db2.gz JSPHHZQTVVBAOY-IEBWSBKVSA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001699160201 1412544152 /nfs/dbraw/zinc/54/41/52/1412544152.db2.gz RBJJFZYJJPCKPZ-ZWKOTPCHSA-N 1 3 333.520 3.189 10 0 EGAEHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699197930 1412567542 /nfs/dbraw/zinc/56/75/42/1412567542.db2.gz RWZMRYLYOJKADT-MRXNPFEDSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001699314424 1412633859 /nfs/dbraw/zinc/63/38/59/1412633859.db2.gz NMCBARPFBAPCGC-AQKVLALTSA-N 1 3 349.563 3.482 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001699533508 1412909795 /nfs/dbraw/zinc/90/97/95/1412909795.db2.gz LSIZGOWUBYAEIQ-HKUYNNGSSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001699694674 1413102905 /nfs/dbraw/zinc/10/29/05/1413102905.db2.gz GPONDJWNIZNABO-HXUWFJFHSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001699694674 1413102907 /nfs/dbraw/zinc/10/29/07/1413102907.db2.gz GPONDJWNIZNABO-HXUWFJFHSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001699862414 1413297100 /nfs/dbraw/zinc/29/71/00/1413297100.db2.gz VJLYLLZVNAJEEV-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CC[NH+]1CCC(C)(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001699864038 1413300200 /nfs/dbraw/zinc/30/02/00/1413300200.db2.gz HBJRQHPLRFVWGC-UHFFFAOYSA-N 1 3 339.568 3.229 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001700011822 1413454290 /nfs/dbraw/zinc/45/42/90/1413454290.db2.gz LKQKDZBACWYTOQ-IPMKNSEASA-N 1 3 335.536 3.115 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001700011822 1413454292 /nfs/dbraw/zinc/45/42/92/1413454292.db2.gz LKQKDZBACWYTOQ-IPMKNSEASA-N 1 3 335.536 3.115 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCC(C)C)C[C@H]21)N(CC)CC ZINC001700019148 1413466159 /nfs/dbraw/zinc/46/61/59/1413466159.db2.gz DJRGSTLMLWXPAP-GBESFXJTSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC(C)C)C[C@H]21)N(CC)CC ZINC001700019148 1413466161 /nfs/dbraw/zinc/46/61/61/1413466161.db2.gz DJRGSTLMLWXPAP-GBESFXJTSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)N(C)C ZINC001700105056 1413523361 /nfs/dbraw/zinc/52/33/61/1413523361.db2.gz KRNPQIRYDMTKLL-FHWLQOOXSA-N 1 3 337.552 3.027 10 0 EGAEHO Cc1cc(C[NH2+]C2(CNC(=O)CN3[C@@H](C)CC[C@@H]3C)CCC2)cs1 ZINC001700142800 1413565098 /nfs/dbraw/zinc/56/50/98/1413565098.db2.gz FIWMEYUVGXMMFL-GJZGRUSLSA-N 1 3 349.544 3.058 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001700225175 1413677254 /nfs/dbraw/zinc/67/72/54/1413677254.db2.gz YNBBAZQNHDMIJH-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557891 1428746270 /nfs/dbraw/zinc/74/62/70/1428746270.db2.gz HTSRRDXTWLWGEW-MOPGFXCFSA-N 1 3 335.536 3.092 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676476 1429870752 /nfs/dbraw/zinc/87/07/52/1429870752.db2.gz NDFNMFOTLQLWBT-RTBURBONSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566286 1428758486 /nfs/dbraw/zinc/75/84/86/1428758486.db2.gz LRVBMHDIBCJIBW-MJGOQNOKSA-N 1 3 349.563 3.029 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700359121 1413867982 /nfs/dbraw/zinc/86/79/82/1413867982.db2.gz HBKWLRVARJKAJE-KRWDZBQOSA-N 1 3 339.568 3.323 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700359121 1413867986 /nfs/dbraw/zinc/86/79/86/1413867986.db2.gz HBKWLRVARJKAJE-KRWDZBQOSA-N 1 3 339.568 3.323 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001700520979 1414175939 /nfs/dbraw/zinc/17/59/39/1414175939.db2.gz JOOKEZAIAWDSJI-QRVBRYPASA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001700853978 1414501328 /nfs/dbraw/zinc/50/13/28/1414501328.db2.gz OWFSUGDHPAQSPS-PXNSSMCTSA-N 1 3 345.531 3.377 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001701000817 1414653194 /nfs/dbraw/zinc/65/31/94/1414653194.db2.gz FPEYRCWIZDHSNO-DAWZGUTISA-N 1 3 339.568 3.273 10 0 EGAEHO CCC(CC)C[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001701031036 1414694325 /nfs/dbraw/zinc/69/43/25/1414694325.db2.gz URHYIMQFLZIFQZ-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001732914094 1429045190 /nfs/dbraw/zinc/04/51/90/1429045190.db2.gz OYCKGHQBGKTRCM-RURPWVQCSA-N 1 3 343.515 3.050 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039067 1429166554 /nfs/dbraw/zinc/16/65/54/1429166554.db2.gz RQAFRVGTOLVKDF-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCC1CCCC1 ZINC001733039067 1429166559 /nfs/dbraw/zinc/16/65/59/1429166559.db2.gz RQAFRVGTOLVKDF-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001707117609 1417208402 /nfs/dbraw/zinc/20/84/02/1417208402.db2.gz XCUFKXSQPMEDLZ-OKZBNKHCSA-N 1 3 337.552 3.029 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001707122442 1417210130 /nfs/dbraw/zinc/21/01/30/1417210130.db2.gz AILPERRBXQXWLP-QULHZPMSSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001707244580 1417263579 /nfs/dbraw/zinc/26/35/79/1417263579.db2.gz IXYIFZRIEZQTSR-HXUWFJFHSA-N 1 3 345.531 3.198 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CCCCCC1 ZINC001707452869 1417356231 /nfs/dbraw/zinc/35/62/31/1417356231.db2.gz UJDJOYUQDBLWRN-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CCCCCC1 ZINC001707452869 1417356235 /nfs/dbraw/zinc/35/62/35/1417356235.db2.gz UJDJOYUQDBLWRN-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO CC(C)(C)CC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001713289171 1417916550 /nfs/dbraw/zinc/91/65/50/1417916550.db2.gz HOWSUQAPMLPJTD-UHFFFAOYSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001713506701 1418230241 /nfs/dbraw/zinc/23/02/41/1418230241.db2.gz YLFYXGKCXVQAOZ-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001713506701 1418230246 /nfs/dbraw/zinc/23/02/46/1418230246.db2.gz YLFYXGKCXVQAOZ-ZWKOTPCHSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CC[N@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001713766376 1418579778 /nfs/dbraw/zinc/57/97/78/1418579778.db2.gz XULDLBZXHYQHOK-UHFFFAOYSA-N 1 3 339.568 3.181 10 0 EGAEHO CC(C)CC[N@@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001713766376 1418579781 /nfs/dbraw/zinc/57/97/81/1418579781.db2.gz XULDLBZXHYQHOK-UHFFFAOYSA-N 1 3 339.568 3.181 10 0 EGAEHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cccc2ccccc21 ZINC001714125289 1418929848 /nfs/dbraw/zinc/92/98/48/1418929848.db2.gz SVJVIKOSMAEXKP-LJQANCHMSA-N 1 3 341.499 3.164 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1 ZINC001714253282 1419038081 /nfs/dbraw/zinc/03/80/81/1419038081.db2.gz JHVDQZBUEWANKT-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001714275332 1419055683 /nfs/dbraw/zinc/05/56/83/1419055683.db2.gz YQVODHSYNGADBP-KRWDZBQOSA-N 1 3 347.547 3.382 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001714408195 1419148850 /nfs/dbraw/zinc/14/88/50/1419148850.db2.gz PLFNWNQITPWHDI-ROUUACIJSA-N 1 3 337.552 3.458 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001714455159 1419187702 /nfs/dbraw/zinc/18/77/02/1419187702.db2.gz VJMGHRMNJMPYFC-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001714455159 1419187704 /nfs/dbraw/zinc/18/77/04/1419187704.db2.gz VJMGHRMNJMPYFC-MOPGFXCFSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001714652054 1419429567 /nfs/dbraw/zinc/42/95/67/1419429567.db2.gz ZQTSCMUOKWUMEA-IBGZPJMESA-N 1 3 345.531 3.090 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001714652054 1419429570 /nfs/dbraw/zinc/42/95/70/1419429570.db2.gz ZQTSCMUOKWUMEA-IBGZPJMESA-N 1 3 345.531 3.090 10 0 EGAEHO CC(C)=CCN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838426 1419550844 /nfs/dbraw/zinc/55/08/44/1419550844.db2.gz ZKNFHBLZAGKBSA-WOJBJXKFSA-N 1 3 343.515 3.273 10 0 EGAEHO CC(C)=CCN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714838426 1419550845 /nfs/dbraw/zinc/55/08/45/1419550845.db2.gz ZKNFHBLZAGKBSA-WOJBJXKFSA-N 1 3 343.515 3.273 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001714980657 1419715604 /nfs/dbraw/zinc/71/56/04/1419715604.db2.gz UIGFBEOCULDPCG-MOPGFXCFSA-N 1 3 337.552 3.312 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001715104273 1419845518 /nfs/dbraw/zinc/84/55/18/1419845518.db2.gz RAJLWYRLOLDXGD-QZTJIDSGSA-N 1 3 343.515 3.078 10 0 EGAEHO CCC[NH2+]C[C@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@@H]1C ZINC001715150979 1419895112 /nfs/dbraw/zinc/89/51/12/1419895112.db2.gz YUUJLGUZUHJCPX-QFBILLFUSA-N 1 3 325.541 3.029 10 0 EGAEHO CN(CC(=O)NCC1([NH2+]CCC2CCCCC2)CC1)CC(C)(C)C ZINC001733256054 1429406585 /nfs/dbraw/zinc/40/65/85/1429406585.db2.gz OVJNKAKFSSMWEP-UHFFFAOYSA-N 1 3 337.552 3.173 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829337 1420359261 /nfs/dbraw/zinc/35/92/61/1420359261.db2.gz SQFBPRAYYLZKKQ-YKTDSXCKSA-N 1 3 347.478 3.023 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001715829337 1420359262 /nfs/dbraw/zinc/35/92/62/1420359262.db2.gz SQFBPRAYYLZKKQ-YKTDSXCKSA-N 1 3 347.478 3.023 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001715911571 1420394336 /nfs/dbraw/zinc/39/43/36/1420394336.db2.gz ICPAFHIXJJAXPL-LLYBFZRZSA-N 1 3 337.895 3.003 10 0 EGAEHO CCc1ccccc1CN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715923239 1420399518 /nfs/dbraw/zinc/39/95/18/1420399518.db2.gz RJLDBPUVUAZLTL-UHFFFAOYSA-N 1 3 345.531 3.014 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)cc1C ZINC001715954215 1420420322 /nfs/dbraw/zinc/42/03/22/1420420322.db2.gz ROCUAJWHDJAGET-UYAOXDASSA-N 1 3 345.531 3.161 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CC[N@H+](C)CC2=CCCCC2)c1 ZINC001716015369 1420469102 /nfs/dbraw/zinc/46/91/02/1420469102.db2.gz WQAARXUZHXTJBR-UHFFFAOYSA-N 1 3 343.515 3.252 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CC[N@@H+](C)CC2=CCCCC2)c1 ZINC001716015369 1420469104 /nfs/dbraw/zinc/46/91/04/1420469104.db2.gz WQAARXUZHXTJBR-UHFFFAOYSA-N 1 3 343.515 3.252 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001716344138 1420611972 /nfs/dbraw/zinc/61/19/72/1420611972.db2.gz QHGMBGJRGXHCOA-MFTLYIETSA-N 1 3 337.895 3.003 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001716378208 1420623925 /nfs/dbraw/zinc/62/39/25/1420623925.db2.gz HCJJOMNWSCWEKK-JEVUSQKCSA-N 1 3 347.478 3.023 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001716414524 1420644215 /nfs/dbraw/zinc/64/42/15/1420644215.db2.gz IBQZYGBCBBDPPQ-MJGOQNOKSA-N 1 3 349.563 3.314 10 0 EGAEHO CCc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCCN2CC)c1 ZINC001716586885 1420769406 /nfs/dbraw/zinc/76/94/06/1420769406.db2.gz JSIGIIPKKWXLAI-HXUWFJFHSA-N 1 3 345.531 3.062 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H](CC)C1 ZINC001716639720 1420796752 /nfs/dbraw/zinc/79/67/52/1420796752.db2.gz RWRKDMXNCXVBAM-OALUTQOASA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001733272373 1429434592 /nfs/dbraw/zinc/43/45/92/1429434592.db2.gz MIXNTCJQGIZZOB-MVCQKVDPSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CCN1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665218 1420820193 /nfs/dbraw/zinc/82/01/93/1420820193.db2.gz IRFVSWUWRYZBBG-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665218 1420820196 /nfs/dbraw/zinc/82/01/96/1420820196.db2.gz IRFVSWUWRYZBBG-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1)N1CCCCCC1 ZINC001716665218 1420820200 /nfs/dbraw/zinc/82/02/00/1420820200.db2.gz IRFVSWUWRYZBBG-ICSRJNTNSA-N 1 3 349.563 3.412 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001716830787 1420958109 /nfs/dbraw/zinc/95/81/09/1420958109.db2.gz XHFHPQXMMJSJHR-FQEVSTJZSA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C(C)C)C2 ZINC001716830787 1420958111 /nfs/dbraw/zinc/95/81/11/1420958111.db2.gz XHFHPQXMMJSJHR-FQEVSTJZSA-N 1 3 337.552 3.221 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CCCCCF)C2)c1 ZINC001716853685 1420985119 /nfs/dbraw/zinc/98/51/19/1420985119.db2.gz GKUMQRRVSQLPDM-FQEVSTJZSA-N 1 3 349.494 3.082 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](CCCCCF)C2)c1 ZINC001716853685 1420985122 /nfs/dbraw/zinc/98/51/22/1420985122.db2.gz GKUMQRRVSQLPDM-FQEVSTJZSA-N 1 3 349.494 3.082 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001716999722 1421069719 /nfs/dbraw/zinc/06/97/19/1421069719.db2.gz PPFHYTDRUXBAQZ-BCDXTJNWSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001716999722 1421069720 /nfs/dbraw/zinc/06/97/20/1421069720.db2.gz PPFHYTDRUXBAQZ-BCDXTJNWSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001717332289 1421267144 /nfs/dbraw/zinc/26/71/44/1421267144.db2.gz SKXBSXGDYIRCQL-ROUUACIJSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001717332289 1421267148 /nfs/dbraw/zinc/26/71/48/1421267148.db2.gz SKXBSXGDYIRCQL-ROUUACIJSA-N 1 3 337.552 3.410 10 0 EGAEHO CCC/C=C/CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001717354596 1421288575 /nfs/dbraw/zinc/28/85/75/1421288575.db2.gz HFJZLWDAJOODMY-DUIUGDAFSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C/CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001717354596 1421288580 /nfs/dbraw/zinc/28/85/80/1421288580.db2.gz HFJZLWDAJOODMY-DUIUGDAFSA-N 1 3 349.563 3.388 10 0 EGAEHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001717558667 1421494569 /nfs/dbraw/zinc/49/45/69/1421494569.db2.gz JLIWGHMFCMSBEC-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](CCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001717670293 1421559636 /nfs/dbraw/zinc/55/96/36/1421559636.db2.gz CPHSXZNYLVGTHF-CVEARBPZSA-N 1 3 349.494 3.246 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001717847284 1421661376 /nfs/dbraw/zinc/66/13/76/1421661376.db2.gz JYHCGALQWCHEOT-GBESFXJTSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(CC[N@H+](C)CC1CCC(C)CC1)C(=O)[C@H]1CCCN1C ZINC001717946172 1421711277 /nfs/dbraw/zinc/71/12/77/1421711277.db2.gz PFNJBZVOTNWAQS-CTWPCTMYSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CC1CCC(C)CC1)C(=O)[C@H]1CCCN1C ZINC001717946172 1421711279 /nfs/dbraw/zinc/71/12/79/1421711279.db2.gz PFNJBZVOTNWAQS-CTWPCTMYSA-N 1 3 337.552 3.076 10 0 EGAEHO CCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001717982605 1421754656 /nfs/dbraw/zinc/75/46/56/1421754656.db2.gz CJJFLNVGZWBVST-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1)N1CCCCC1 ZINC001733342131 1429525736 /nfs/dbraw/zinc/52/57/36/1429525736.db2.gz NCJHISBBUTZJBY-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001733465524 1429697963 /nfs/dbraw/zinc/69/79/63/1429697963.db2.gz MNKWVQCEJOOXSO-PZJWPPBQSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001733465524 1429697974 /nfs/dbraw/zinc/69/79/74/1429697974.db2.gz MNKWVQCEJOOXSO-PZJWPPBQSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCCC1 ZINC001723669166 1424523045 /nfs/dbraw/zinc/52/30/45/1424523045.db2.gz PLWMYVKLARBFRY-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCCC1 ZINC001723669166 1424523070 /nfs/dbraw/zinc/52/30/70/1424523070.db2.gz PLWMYVKLARBFRY-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCC(CC)C[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001724025272 1424633147 /nfs/dbraw/zinc/63/31/47/1424633147.db2.gz GJFHDWVAHSNFLW-CALCHBBNSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001724126255 1424677346 /nfs/dbraw/zinc/67/73/46/1424677346.db2.gz QLWXDNJKARFJHP-FQEVSTJZSA-N 1 3 346.519 3.237 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001724126255 1424677348 /nfs/dbraw/zinc/67/73/48/1424677348.db2.gz QLWXDNJKARFJHP-FQEVSTJZSA-N 1 3 346.519 3.237 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833205 1425178751 /nfs/dbraw/zinc/17/87/51/1425178751.db2.gz BXCXMSXDXRNNSN-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724833205 1425178753 /nfs/dbraw/zinc/17/87/53/1425178753.db2.gz BXCXMSXDXRNNSN-OOFWQKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060247 1425500406 /nfs/dbraw/zinc/50/04/06/1425500406.db2.gz SNYPIHMSULSKCJ-RTBURBONSA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001725060247 1425500410 /nfs/dbraw/zinc/50/04/10/1425500410.db2.gz SNYPIHMSULSKCJ-RTBURBONSA-N 1 3 345.531 3.319 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001725094459 1425537461 /nfs/dbraw/zinc/53/74/61/1425537461.db2.gz PDEFTGXFWRJKRE-HOTGVXAUSA-N 1 3 343.515 3.031 10 0 EGAEHO CCc1ccccc1C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001725426949 1426089038 /nfs/dbraw/zinc/08/90/38/1426089038.db2.gz CTZWDBGAHHFFLR-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001725426949 1426089041 /nfs/dbraw/zinc/08/90/41/1426089041.db2.gz CTZWDBGAHHFFLR-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCCN2C)C(C)C)c1 ZINC001725726305 1426387092 /nfs/dbraw/zinc/38/70/92/1426387092.db2.gz SHQPBIPWOMHECU-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cc(C)cc(C[N@H+](C)CCN(C(=O)[C@@H]2CCCN2C)C(C)C)c1 ZINC001725726305 1426387094 /nfs/dbraw/zinc/38/70/94/1426387094.db2.gz SHQPBIPWOMHECU-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001725754365 1426433848 /nfs/dbraw/zinc/43/38/48/1426433848.db2.gz AYVITVWUAWYUOC-SFHVURJKSA-N 1 3 339.568 3.418 10 0 EGAEHO CC[C@H]([NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1)c1ccccc1 ZINC001725790287 1426475595 /nfs/dbraw/zinc/47/55/95/1426475595.db2.gz SHEHSHMQWVTFNT-ACBHZAAOSA-N 1 3 331.504 3.057 10 0 EGAEHO CCC[NH+]1CCC(C2(NC(=O)[C@H](C)N3CCCCCC3)CC2)CC1 ZINC001725795537 1426481207 /nfs/dbraw/zinc/48/12/07/1426481207.db2.gz YCKKFADRFDAYEU-KRWDZBQOSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@H](C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001731374608 1427306641 /nfs/dbraw/zinc/30/66/41/1427306641.db2.gz MNJIZNWPXPFLMF-WOJBJXKFSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731506870 1427494199 /nfs/dbraw/zinc/49/41/99/1427494199.db2.gz LRXFMZGSLKYSLZ-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731506870 1427494201 /nfs/dbraw/zinc/49/42/01/1427494201.db2.gz LRXFMZGSLKYSLZ-IBGZPJMESA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001731735584 1427816063 /nfs/dbraw/zinc/81/60/63/1427816063.db2.gz CYRBWXMUCUZLKG-APWZRJJASA-N 1 3 349.494 3.073 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001731761169 1427864451 /nfs/dbraw/zinc/86/44/51/1427864451.db2.gz QYXJFNFYKWGGRD-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001731761169 1427864454 /nfs/dbraw/zinc/86/44/54/1427864454.db2.gz QYXJFNFYKWGGRD-IBGZPJMESA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842343 1428065559 /nfs/dbraw/zinc/06/55/59/1428065559.db2.gz PDDMFJAGFLSHKN-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1)N1CCCCC1 ZINC001731842343 1428065563 /nfs/dbraw/zinc/06/55/63/1428065563.db2.gz PDDMFJAGFLSHKN-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001734053169 1437843167 /nfs/dbraw/zinc/84/31/67/1437843167.db2.gz JQJABECIDDGNRL-QFBILLFUSA-N 1 3 345.531 3.088 10 0 EGAEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001734053169 1437843170 /nfs/dbraw/zinc/84/31/70/1437843170.db2.gz JQJABECIDDGNRL-QFBILLFUSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)CC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001734603546 1438184515 /nfs/dbraw/zinc/18/45/15/1438184515.db2.gz GMMNDBIIVSYBMJ-HDICACEKSA-N 1 3 349.563 3.266 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337509666 154388863 /nfs/dbraw/zinc/38/88/63/154388863.db2.gz QRJCZTIBBISIFH-ACBHZAAOSA-N 1 3 335.536 3.020 10 0 EGAEHO C[NH+](C)CC1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000350176896 165016519 /nfs/dbraw/zinc/01/65/19/165016519.db2.gz PJZUPTHRVAFQEH-UHFFFAOYSA-N 1 3 339.483 3.434 10 0 EGAEHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000179412676 265375037 /nfs/dbraw/zinc/37/50/37/265375037.db2.gz XNUSSFHRMNUDNC-JYJNAYRXSA-N 1 3 338.467 3.374 10 0 EGAEHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000283973622 275764907 /nfs/dbraw/zinc/76/49/07/275764907.db2.gz GQJZFSHILGMJRR-OAQYLSRUSA-N 1 3 340.467 3.500 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000287243677 276100199 /nfs/dbraw/zinc/10/01/99/276100199.db2.gz YYNFKTXHDKNCON-QIJUGHKUSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287243677 276100200 /nfs/dbraw/zinc/10/02/00/276100200.db2.gz YYNFKTXHDKNCON-QIJUGHKUSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287243677 276100202 /nfs/dbraw/zinc/10/02/02/276100202.db2.gz YYNFKTXHDKNCON-QIJUGHKUSA-N 1 3 338.495 3.090 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000128727832 307604769 /nfs/dbraw/zinc/60/47/69/307604769.db2.gz NNCSHXHGERHLCA-QZTJIDSGSA-N 1 3 345.531 3.264 10 0 EGAEHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000414327081 309073080 /nfs/dbraw/zinc/07/30/80/309073080.db2.gz BETJWCVHCUTJAB-LXHROKJGSA-N 1 3 342.527 3.428 10 0 EGAEHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248990549 308016638 /nfs/dbraw/zinc/01/66/38/308016638.db2.gz FTCHDYUQIVYZOT-FDKIHUSFSA-N 1 3 328.500 3.444 10 0 EGAEHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414816608 309103471 /nfs/dbraw/zinc/10/34/71/309103471.db2.gz QEZISLDLYWNXBH-CABCVRRESA-N 1 3 341.455 3.222 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1C ZINC000397573519 308904696 /nfs/dbraw/zinc/90/46/96/308904696.db2.gz ZUZCRCSHUQWBNJ-HBFSDRIKSA-N 1 3 330.516 3.428 10 0 EGAEHO CC(C)C[C@H](C[NH3+])N[C@@H](C)Cc1ccc(Br)cc1F ZINC000414855535 309105813 /nfs/dbraw/zinc/10/58/13/309105813.db2.gz WWIUUEAQKFGHNF-SMDDNHRTSA-N 1 3 331.273 3.482 10 0 EGAEHO COc1cc(C[NH2+][C@H]2CCNC[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414943859 309110495 /nfs/dbraw/zinc/11/04/95/309110495.db2.gz OMAITMRQSKWKJV-BEFAXECRSA-N 1 3 340.467 3.458 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@H](N)CC(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415120476 309121781 /nfs/dbraw/zinc/12/17/81/309121781.db2.gz YFLNPEKBYHRWCV-RPVQJOFSSA-N 1 3 343.437 3.202 10 0 EGAEHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000415131029 309122764 /nfs/dbraw/zinc/12/27/64/309122764.db2.gz RSTDEYZVFBMGGE-TZIWHRDSSA-N 1 3 344.499 3.194 10 0 EGAEHO CSc1ccccc1NC(=O)CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420405803 309286800 /nfs/dbraw/zinc/28/68/00/309286800.db2.gz UBPGXKBNFGLPHQ-RDJZCZTQSA-N 1 3 347.528 3.201 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744295 309366273 /nfs/dbraw/zinc/36/62/73/309366273.db2.gz JVKZSQFQDUKXBF-UYAOXDASSA-N 1 3 327.472 3.017 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777044 309367787 /nfs/dbraw/zinc/36/77/87/309367787.db2.gz DXYPBOPGYOWHGJ-KBPBESRZSA-N 1 3 341.455 3.249 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422779952 309367832 /nfs/dbraw/zinc/36/78/32/309367832.db2.gz CLKVJLHIRLSYPS-XMTFNYHQSA-N 1 3 332.488 3.363 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913440 309375988 /nfs/dbraw/zinc/37/59/88/309375988.db2.gz YJGJPQCBJIDCFA-NIKGAXFTSA-N 1 3 337.458 3.179 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422921669 309376171 /nfs/dbraw/zinc/37/61/71/309376171.db2.gz OOMKFVXBMVBTNF-MAODMQOUSA-N 1 3 343.515 3.240 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422921669 309376172 /nfs/dbraw/zinc/37/61/72/309376172.db2.gz OOMKFVXBMVBTNF-MAODMQOUSA-N 1 3 343.515 3.240 10 0 EGAEHO CCN1CCN(c2ccccc2N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422921204 309376305 /nfs/dbraw/zinc/37/63/05/309376305.db2.gz NRIMHPMVADYCSH-ICSRJNTNSA-N 1 3 336.483 3.385 10 0 EGAEHO CC(C)CC[C@](C)(O)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422972907 309379022 /nfs/dbraw/zinc/37/90/22/309379022.db2.gz AWTHRVZFZJZNQZ-HOJAQTOUSA-N 1 3 332.488 3.019 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cn(C)nc1-c1ccccc1 ZINC000423029217 309381723 /nfs/dbraw/zinc/38/17/23/309381723.db2.gz HSTOFZXTJFWOBK-CQSZACIVSA-N 1 3 335.455 3.100 10 0 EGAEHO Cc1oc2ccccc2c1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423051794 309383277 /nfs/dbraw/zinc/38/32/77/309383277.db2.gz PBZWXOFHLTVGOX-IPMKNSEASA-N 1 3 328.456 3.030 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000423273764 309393660 /nfs/dbraw/zinc/39/36/60/309393660.db2.gz JIETVGHJNYTDBY-QFUCXCTJSA-N 1 3 329.532 3.189 10 0 EGAEHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423390768 309398372 /nfs/dbraw/zinc/39/83/72/309398372.db2.gz KKGDORYAFIBZQP-VKJFTORMSA-N 1 3 332.492 3.209 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482246220 310929262 /nfs/dbraw/zinc/92/92/62/310929262.db2.gz SWLLARUXJMTBLS-UHFFFAOYSA-N 1 3 338.879 3.338 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000516570625 312330391 /nfs/dbraw/zinc/33/03/91/312330391.db2.gz CNHQJVIGCMENLE-DOMZBBRYSA-N 1 3 329.469 3.053 10 0 EGAEHO CCN(CC)Cc1cc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216948 313499185 /nfs/dbraw/zinc/49/91/85/313499185.db2.gz QYQBOROPVOCMIJ-OXQOHEQNSA-N 1 3 345.531 3.472 10 0 EGAEHO C[C@@H](CCc1ccccc1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000539382621 314310234 /nfs/dbraw/zinc/31/02/34/314310234.db2.gz OBQBWIBNZSPOTF-UNMCSNQZSA-N 1 3 343.559 3.357 10 0 EGAEHO C[C@@H](CCc1ccccc1)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000539382621 314310236 /nfs/dbraw/zinc/31/02/36/314310236.db2.gz OBQBWIBNZSPOTF-UNMCSNQZSA-N 1 3 343.559 3.357 10 0 EGAEHO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000540709121 314398728 /nfs/dbraw/zinc/39/87/28/314398728.db2.gz GMZANCPAVCQHIH-WOJBJXKFSA-N 1 3 346.515 3.156 10 0 EGAEHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000540709120 314398994 /nfs/dbraw/zinc/39/89/94/314398994.db2.gz GMZANCPAVCQHIH-VQTJNVASSA-N 1 3 346.515 3.156 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCOCC2CCC2)CC1 ZINC000555233771 315374705 /nfs/dbraw/zinc/37/47/05/315374705.db2.gz GLPZCPDIADCAKV-UHFFFAOYSA-N 1 3 345.531 3.125 10 0 EGAEHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000570562526 317073574 /nfs/dbraw/zinc/07/35/74/317073574.db2.gz UFVXFHBEPDEUOT-UXHICEINSA-N 1 3 332.488 3.132 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000572632886 317367828 /nfs/dbraw/zinc/36/78/28/317367828.db2.gz YBFORRZWOUJKCW-MOPGFXCFSA-N 1 3 348.531 3.404 10 0 EGAEHO Clc1cccc(-c2cnc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000391835324 324286969 /nfs/dbraw/zinc/28/69/69/324286969.db2.gz VDPJBKWDGWCMDL-GASCZTMLSA-N 1 3 331.847 3.426 10 0 EGAEHO CN1CC[C@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623475657 460569731 /nfs/dbraw/zinc/56/97/31/460569731.db2.gz WZCLUAWSLOGNPO-GJZGRUSLSA-N 1 3 330.394 3.201 10 0 EGAEHO CN1C(=O)C[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000623479925 460571851 /nfs/dbraw/zinc/57/18/51/460571851.db2.gz GNNOUEVRSGSEJZ-RYRKJORJSA-N 1 3 349.906 3.074 10 0 EGAEHO CCC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)CC1CCCCC1 ZINC000066962101 453890810 /nfs/dbraw/zinc/89/08/10/453890810.db2.gz JJFBWTSFUBHEEX-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)CC1CCCCC1 ZINC000066962101 453890814 /nfs/dbraw/zinc/89/08/14/453890814.db2.gz JJFBWTSFUBHEEX-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H]1CCC[C@@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246033015 455415870 /nfs/dbraw/zinc/41/58/70/455415870.db2.gz WFLSFSKFAWSXLR-JKIHBJOUSA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@H]1CCC[C@@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000246033015 455415875 /nfs/dbraw/zinc/41/58/75/455415875.db2.gz WFLSFSKFAWSXLR-JKIHBJOUSA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)Cc1ccccc1 ZINC000182066306 455427424 /nfs/dbraw/zinc/42/74/24/455427424.db2.gz KCLTXLQVMPZDQB-FQEVSTJZSA-N 1 3 343.559 3.405 10 0 EGAEHO CN(C)c1ccncc1CNC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121791482 454477298 /nfs/dbraw/zinc/47/72/98/454477298.db2.gz NJNNGFBRXAFIQV-NRFANRHFSA-N 1 3 338.499 3.292 10 0 EGAEHO CN(C)c1ccncc1CNC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121791482 454477301 /nfs/dbraw/zinc/47/73/01/454477301.db2.gz NJNNGFBRXAFIQV-NRFANRHFSA-N 1 3 338.499 3.292 10 0 EGAEHO CC(C)CC[NH+](CCC(C)C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000064507953 454488624 /nfs/dbraw/zinc/48/86/24/454488624.db2.gz AQZHXQOBPPHDFM-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000151954486 455053603 /nfs/dbraw/zinc/05/36/03/455053603.db2.gz BJNJPXKWWMQUCT-WOJBJXKFSA-N 1 3 343.559 3.404 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CCC([N@H+](C)CCCO)CC1 ZINC000185309235 455536573 /nfs/dbraw/zinc/53/65/73/455536573.db2.gz IJNPYQPNTJKNJR-UHFFFAOYSA-N 1 3 327.472 3.135 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CCC([N@@H+](C)CCCO)CC1 ZINC000185309235 455536576 /nfs/dbraw/zinc/53/65/76/455536576.db2.gz IJNPYQPNTJKNJR-UHFFFAOYSA-N 1 3 327.472 3.135 10 0 EGAEHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588103 455875401 /nfs/dbraw/zinc/87/54/01/455875401.db2.gz JCQKQQNZVPTQLI-WIYYLYMNSA-N 1 3 339.483 3.305 10 0 EGAEHO CC[N@H+]1CC[C@H](CN[C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588103 455875406 /nfs/dbraw/zinc/87/54/06/455875406.db2.gz JCQKQQNZVPTQLI-WIYYLYMNSA-N 1 3 339.483 3.305 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588103 455875411 /nfs/dbraw/zinc/87/54/11/455875411.db2.gz JCQKQQNZVPTQLI-WIYYLYMNSA-N 1 3 339.483 3.305 10 0 EGAEHO CCOc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1OC ZINC000261618416 455915216 /nfs/dbraw/zinc/91/52/16/455915216.db2.gz DAQRLKNHSWYRNU-MOPGFXCFSA-N 1 3 340.467 3.268 10 0 EGAEHO COCCC1(C)CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000297312553 456181888 /nfs/dbraw/zinc/18/18/88/456181888.db2.gz CKOVZPBPQLZPDW-UHFFFAOYSA-N 1 3 345.531 3.075 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254500 456194128 /nfs/dbraw/zinc/19/41/28/456194128.db2.gz GFCYRROOVVDISN-ILWGZMRPSA-N 1 3 339.527 3.210 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254500 456194132 /nfs/dbraw/zinc/19/41/32/456194132.db2.gz GFCYRROOVVDISN-ILWGZMRPSA-N 1 3 339.527 3.210 10 0 EGAEHO C[C@@H](NCc1ccc2cncn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000297486361 456233079 /nfs/dbraw/zinc/23/30/79/456233079.db2.gz KCKHPDCHRYILKD-XLIONFOSSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H](NCc1ccc2cncn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297486361 456233083 /nfs/dbraw/zinc/23/30/83/456233083.db2.gz KCKHPDCHRYILKD-XLIONFOSSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc2cncn2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297486361 456233086 /nfs/dbraw/zinc/23/30/86/456233086.db2.gz KCKHPDCHRYILKD-XLIONFOSSA-N 1 3 334.467 3.335 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000340465337 456475440 /nfs/dbraw/zinc/47/54/40/456475440.db2.gz IUAHSFTZVCEEDE-FQEVSTJZSA-N 1 3 341.503 3.223 10 0 EGAEHO CCc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397649713 457490004 /nfs/dbraw/zinc/49/00/04/457490004.db2.gz WITVUQIKOVHURJ-UHFFFAOYSA-N 1 3 344.524 3.427 10 0 EGAEHO CC[NH+](CC)CC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000361508161 457761369 /nfs/dbraw/zinc/76/13/69/457761369.db2.gz JHNMQZLWTUATGT-UHFFFAOYSA-N 1 3 332.536 3.480 10 0 EGAEHO CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1c1ccccc1 ZINC000426977604 457931713 /nfs/dbraw/zinc/93/17/13/457931713.db2.gz LYMPRCDAKCSRTB-RBUKOAKNSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)(F)F ZINC000358386855 457970142 /nfs/dbraw/zinc/97/01/42/457970142.db2.gz TZITVOLKMYOYJR-NPYXIHBLSA-N 1 3 342.405 3.085 10 0 EGAEHO Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407288 457984562 /nfs/dbraw/zinc/98/45/62/457984562.db2.gz TZXOQYJIHIRXSG-CRAIPNDOSA-N 1 3 348.512 3.381 10 0 EGAEHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1c(C)nn(C)c1C ZINC000436471072 458309740 /nfs/dbraw/zinc/30/97/40/458309740.db2.gz QFLJNFFHPPWQJF-GOSISDBHSA-N 1 3 327.476 3.142 10 0 EGAEHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459385370 458354303 /nfs/dbraw/zinc/35/43/03/458354303.db2.gz HELDBTVUEDBFCG-NXWXRZEISA-N 1 3 334.529 3.256 10 0 EGAEHO CC(C)Oc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000376825340 458398005 /nfs/dbraw/zinc/39/80/05/458398005.db2.gz CWZDSQLGTHGAAG-SMLSOGCJSA-N 1 3 345.531 3.291 10 0 EGAEHO CC(C)Oc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000376825340 458398009 /nfs/dbraw/zinc/39/80/09/458398009.db2.gz CWZDSQLGTHGAAG-SMLSOGCJSA-N 1 3 345.531 3.291 10 0 EGAEHO CC(C)Oc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)cc1 ZINC000376825340 458398012 /nfs/dbraw/zinc/39/80/12/458398012.db2.gz CWZDSQLGTHGAAG-SMLSOGCJSA-N 1 3 345.531 3.291 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000459753918 458468837 /nfs/dbraw/zinc/46/88/37/458468837.db2.gz DIVQBVNRKOJMHF-SFHVURJKSA-N 1 3 335.511 3.105 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000459753918 458468840 /nfs/dbraw/zinc/46/88/40/458468840.db2.gz DIVQBVNRKOJMHF-SFHVURJKSA-N 1 3 335.511 3.105 10 0 EGAEHO COc1cc(Br)ccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459798850 458480959 /nfs/dbraw/zinc/48/09/59/458480959.db2.gz YCMLXJXDVUMWQT-ZDUSSCGKSA-N 1 3 341.293 3.279 10 0 EGAEHO COc1cc(Br)ccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459798850 458480963 /nfs/dbraw/zinc/48/09/63/458480963.db2.gz YCMLXJXDVUMWQT-ZDUSSCGKSA-N 1 3 341.293 3.279 10 0 EGAEHO CC(C)N1CCC([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373487415 458507278 /nfs/dbraw/zinc/50/72/78/458507278.db2.gz BYWAZWPFCCEXQI-UHFFFAOYSA-N 1 3 347.469 3.254 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273027 458601240 /nfs/dbraw/zinc/60/12/40/458601240.db2.gz RXSYZDQPMHPSQD-BDHVOXNPSA-N 1 3 342.527 3.344 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000559899701 459282761 /nfs/dbraw/zinc/28/27/61/459282761.db2.gz PRDUTNALAFECGR-SNPRPXQTSA-N 1 3 328.378 3.390 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000559899699 459283576 /nfs/dbraw/zinc/28/35/76/459283576.db2.gz PRDUTNALAFECGR-AEGPPILISA-N 1 3 328.378 3.390 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)C1 ZINC000560531372 459367688 /nfs/dbraw/zinc/36/76/88/459367688.db2.gz XRWYPMRYKCWAFS-PPQDBTBKSA-N 1 3 327.516 3.284 10 0 EGAEHO CN1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)(N2CCCCC2)CC1 ZINC000527664458 459691573 /nfs/dbraw/zinc/69/15/73/459691573.db2.gz DFIYHAIJAHMDBG-UHFFFAOYSA-N 1 3 340.515 3.208 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000527988512 459788715 /nfs/dbraw/zinc/78/87/15/459788715.db2.gz SWRXNONBILVABL-QFBILLFUSA-N 1 3 331.504 3.265 10 0 EGAEHO CC(C)C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983003 460116546 /nfs/dbraw/zinc/11/65/46/460116546.db2.gz WYHYDPRWOGFNOT-HZPDHXFCSA-N 1 3 326.525 3.453 10 0 EGAEHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983003 460116549 /nfs/dbraw/zinc/11/65/49/460116549.db2.gz WYHYDPRWOGFNOT-HZPDHXFCSA-N 1 3 326.525 3.453 10 0 EGAEHO CC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000626019898 460340354 /nfs/dbraw/zinc/34/03/54/460340354.db2.gz RAUBQYVUFKFYRT-FQEVSTJZSA-N 1 3 343.515 3.087 10 0 EGAEHO c1ccc2c(CC[NH2+]C3CCN(c4ccncc4)CC3)ccnc2c1 ZINC000668485814 461301399 /nfs/dbraw/zinc/30/13/99/461301399.db2.gz GAYZQDGROULJDT-UHFFFAOYSA-N 1 3 332.451 3.431 10 0 EGAEHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000655710675 461379479 /nfs/dbraw/zinc/37/94/79/461379479.db2.gz CDPDQKWQINUYLS-QAPCUYQASA-N 1 3 334.529 3.017 10 0 EGAEHO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000655719658 461389954 /nfs/dbraw/zinc/38/99/54/461389954.db2.gz USUUXQCUTMPQLD-MAUKXSAKSA-N 1 3 334.529 3.017 10 0 EGAEHO CCC1([NH+](C)C)CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000634122924 461427425 /nfs/dbraw/zinc/42/74/25/461427425.db2.gz ACOKQHNEMHPXHG-SFHVURJKSA-N 1 3 331.504 3.012 10 0 EGAEHO Cc1c([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000655805136 461465637 /nfs/dbraw/zinc/46/56/37/461465637.db2.gz CXSCWOMXTBZCLD-MRRJBJDNSA-N 1 3 347.894 3.220 10 0 EGAEHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000659910844 461494838 /nfs/dbraw/zinc/49/48/38/461494838.db2.gz UVTYMVKWCQKXEG-RTWAWAEBSA-N 1 3 341.543 3.208 10 0 EGAEHO C[N@H+]1CCCC[C@H]1CN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000659910844 461494847 /nfs/dbraw/zinc/49/48/47/461494847.db2.gz UVTYMVKWCQKXEG-RTWAWAEBSA-N 1 3 341.543 3.208 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCCc3c(F)cccc3F)C2)C1 ZINC000655939482 461547006 /nfs/dbraw/zinc/54/70/06/461547006.db2.gz IASSVMUTRNRJIP-QMTMVMCOSA-N 1 3 338.442 3.116 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cnn(-c3ccccc3C)c2)CC1 ZINC000647179814 461548178 /nfs/dbraw/zinc/54/81/78/461548178.db2.gz QJTKDEOIYMZZJA-UHFFFAOYSA-N 1 3 326.488 3.392 10 0 EGAEHO c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCN(CC4CC4)C3)CC23CC3)cc1 ZINC000647181665 461551147 /nfs/dbraw/zinc/55/11/47/461551147.db2.gz MHIIYJHWBVBOAD-NHCUHLMSSA-N 1 3 339.527 3.258 10 0 EGAEHO COc1ccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1F ZINC000647248697 461590265 /nfs/dbraw/zinc/59/02/65/461590265.db2.gz UBEDPAJCXGJGCW-MSOLQXFVSA-N 1 3 328.431 3.269 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCS[C@@H]2C)CC1 ZINC000647257982 461593501 /nfs/dbraw/zinc/59/35/01/461593501.db2.gz HNJGFCIQLBCJOZ-SJLPKXTDSA-N 1 3 333.545 3.202 10 0 EGAEHO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369056 461594466 /nfs/dbraw/zinc/59/44/66/461594466.db2.gz VZAGIQZZZZJICZ-RTBURBONSA-N 1 3 330.516 3.285 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000631195121 461635104 /nfs/dbraw/zinc/63/51/04/461635104.db2.gz TTZRGJLGQFXWAO-MISYRCLQSA-N 1 3 329.532 3.217 10 0 EGAEHO COc1ccc(C[C@H](C)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479405 461724794 /nfs/dbraw/zinc/72/47/94/461724794.db2.gz GDFDJAARDWJIMN-VDZJLULYSA-N 1 3 334.479 3.477 10 0 EGAEHO CCn1c2ccccc2nc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544394 461759087 /nfs/dbraw/zinc/75/90/87/461759087.db2.gz ZRMACMWKOJIQIZ-IRXDYDNUSA-N 1 3 326.488 3.268 10 0 EGAEHO COc1ccc(-c2cnc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000643895295 461832439 /nfs/dbraw/zinc/83/24/39/461832439.db2.gz RXGVRZARUJLIKZ-HNNXBMFYSA-N 1 3 341.455 3.314 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786931 461898152 /nfs/dbraw/zinc/89/81/52/461898152.db2.gz XSXSHBKGVPENCY-KRWDZBQOSA-N 1 3 342.512 3.417 10 0 EGAEHO CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCC(C)CC1 ZINC000657309998 462035286 /nfs/dbraw/zinc/03/52/86/462035286.db2.gz VKMVHDGMXMNWQX-HXUWFJFHSA-N 1 3 341.503 3.113 10 0 EGAEHO CC[NH+](CC)Cc1cccc(CNCc2ccnn2-c2ccncc2)c1 ZINC000657315352 462039178 /nfs/dbraw/zinc/03/91/78/462039178.db2.gz RDLBLIXYTQFZTB-UHFFFAOYSA-N 1 3 349.482 3.399 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664659400 462143663 /nfs/dbraw/zinc/14/36/63/462143663.db2.gz XCKXSJJUHOJFQX-KRWDZBQOSA-N 1 3 327.472 3.399 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3nccc4ccccc43)cc2)C1 ZINC000657594269 462195556 /nfs/dbraw/zinc/19/55/56/462195556.db2.gz HYKUYNKPDFTNBX-FQEVSTJZSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3nccc4ccccc43)cc2)C1 ZINC000657594269 462195562 /nfs/dbraw/zinc/19/55/62/462195562.db2.gz HYKUYNKPDFTNBX-FQEVSTJZSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(C(F)F)cc3)cc2)C1 ZINC000657594903 462197158 /nfs/dbraw/zinc/19/71/58/462197158.db2.gz FHTLFJXHSJTPEQ-IBGZPJMESA-N 1 3 346.421 3.481 10 0 EGAEHO O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(C(F)F)cc3)cc2)C1 ZINC000657594903 462197163 /nfs/dbraw/zinc/19/71/63/462197163.db2.gz FHTLFJXHSJTPEQ-IBGZPJMESA-N 1 3 346.421 3.481 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc(Cl)c(F)c3)cc2)C1 ZINC000657594932 462197277 /nfs/dbraw/zinc/19/72/77/462197277.db2.gz LHODFVIVPDKJSA-QGZVFWFLSA-N 1 3 348.849 3.336 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc(Cl)c(F)c3)cc2)C1 ZINC000657594932 462197285 /nfs/dbraw/zinc/19/72/85/462197285.db2.gz LHODFVIVPDKJSA-QGZVFWFLSA-N 1 3 348.849 3.336 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(Cl)c3)cc2)C1 ZINC000657594358 462198043 /nfs/dbraw/zinc/19/80/43/462198043.db2.gz PKJHRKHYBOXEAC-LJQANCHMSA-N 1 3 330.859 3.196 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cccc(Cl)c3)cc2)C1 ZINC000657594358 462198051 /nfs/dbraw/zinc/19/80/51/462198051.db2.gz PKJHRKHYBOXEAC-LJQANCHMSA-N 1 3 330.859 3.196 10 0 EGAEHO CN(C)CCOc1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000648626741 462207338 /nfs/dbraw/zinc/20/73/38/462207338.db2.gz JKPGIMOFVHYOFL-UHFFFAOYSA-N 1 3 346.515 3.144 10 0 EGAEHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc2cnccc2o1 ZINC000657924569 462319435 /nfs/dbraw/zinc/31/94/35/462319435.db2.gz BZDWGXLUKZNAHG-BMGDILEWSA-N 1 3 343.471 3.246 10 0 EGAEHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753340 462326287 /nfs/dbraw/zinc/32/62/87/462326287.db2.gz NRBNDKMOYBHQLC-HIFRSBDPSA-N 1 3 328.859 3.413 10 0 EGAEHO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658053961 462358853 /nfs/dbraw/zinc/35/88/53/462358853.db2.gz CDZBJFWDAAHRBV-IHPCNDPISA-N 1 3 329.532 3.359 10 0 EGAEHO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000658063628 462363927 /nfs/dbraw/zinc/36/39/27/462363927.db2.gz KQVSPFQOJMXREC-DLBZAZTESA-N 1 3 327.472 3.476 10 0 EGAEHO Cc1c([C@H](C)NCC2CC[NH+](C3CCOCC3)CC2)cnn1C(C)C ZINC000658069191 462366046 /nfs/dbraw/zinc/36/60/46/462366046.db2.gz CMBFHXYAYAUXND-INIZCTEOSA-N 1 3 348.535 3.314 10 0 EGAEHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCC[C@H](OC)C2)cc1 ZINC000665255688 462371888 /nfs/dbraw/zinc/37/18/88/462371888.db2.gz ZLPSEPIXEZBKSX-GTAWCEEGSA-N 1 3 332.488 3.078 10 0 EGAEHO COC[C@H](CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000658081112 462374588 /nfs/dbraw/zinc/37/45/88/462374588.db2.gz FXGXFFLSJAVAPE-KRWDZBQOSA-N 1 3 328.541 3.307 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000665276024 462379992 /nfs/dbraw/zinc/37/99/92/462379992.db2.gz XBCOIIVKOUJXDD-LBPRGKRZSA-N 1 3 326.469 3.352 10 0 EGAEHO COc1ccsc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138763 462402864 /nfs/dbraw/zinc/40/28/64/462402864.db2.gz NUHXMMSMYUJJAS-YOEHRIQHSA-N 1 3 346.496 3.174 10 0 EGAEHO COc1ccsc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138763 462402869 /nfs/dbraw/zinc/40/28/69/462402869.db2.gz NUHXMMSMYUJJAS-YOEHRIQHSA-N 1 3 346.496 3.174 10 0 EGAEHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140270 462403766 /nfs/dbraw/zinc/40/37/66/462403766.db2.gz PGWDVDDTDNJCCZ-UNMCSNQZSA-N 1 3 336.479 3.339 10 0 EGAEHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140270 462403771 /nfs/dbraw/zinc/40/37/71/462403771.db2.gz PGWDVDDTDNJCCZ-UNMCSNQZSA-N 1 3 336.479 3.339 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142166 462405559 /nfs/dbraw/zinc/40/55/59/462405559.db2.gz YYZHSOAEUZEZJW-CZUORRHYSA-N 1 3 326.431 3.023 10 0 EGAEHO C[N@H+](CCC[C@@H]1CCOC1)CCC1CCN(c2ccncc2)CC1 ZINC000645845078 462443164 /nfs/dbraw/zinc/44/31/64/462443164.db2.gz AFMUSDKDKGUKLD-LJQANCHMSA-N 1 3 331.504 3.437 10 0 EGAEHO C[N@@H+](CCC[C@@H]1CCOC1)CCC1CCN(c2ccncc2)CC1 ZINC000645845078 462443168 /nfs/dbraw/zinc/44/31/68/462443168.db2.gz AFMUSDKDKGUKLD-LJQANCHMSA-N 1 3 331.504 3.437 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318296 462475349 /nfs/dbraw/zinc/47/53/49/462475349.db2.gz OVACSVFHFWVRMG-HKUYNNGSSA-N 1 3 338.499 3.373 10 0 EGAEHO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000652246062 462487941 /nfs/dbraw/zinc/48/79/41/462487941.db2.gz KEWKLUZPALVDOP-IIBYNOLFSA-N 1 3 346.515 3.483 10 0 EGAEHO C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274822 462495908 /nfs/dbraw/zinc/49/59/08/462495908.db2.gz WUSLMVGGZSNBFJ-LPHOPBHVSA-N 1 3 326.488 3.024 10 0 EGAEHO Cc1cnc(CCN(C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093773481 546686123 /nfs/dbraw/zinc/68/61/23/546686123.db2.gz TUCCTOMUBGJHCQ-UHFFFAOYSA-N 1 3 333.501 3.066 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H]2CCC[C@H]21 ZINC000671746451 548351055 /nfs/dbraw/zinc/35/10/55/548351055.db2.gz MRQPIXIVFPZOBQ-XYVMCAHJSA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H]2CCC[C@H]21 ZINC000671746451 548351058 /nfs/dbraw/zinc/35/10/58/548351058.db2.gz MRQPIXIVFPZOBQ-XYVMCAHJSA-N 1 3 335.442 3.006 10 0 EGAEHO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)c(C)n1 ZINC000678428683 549489884 /nfs/dbraw/zinc/48/98/84/549489884.db2.gz RUIJEEMCSQSRGO-GOSISDBHSA-N 1 3 344.547 3.299 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@@H]2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC000679022340 549617010 /nfs/dbraw/zinc/61/70/10/549617010.db2.gz DATYIKYOXODCCE-ZCNNSNEGSA-N 1 3 348.494 3.217 10 0 EGAEHO c1ccc(-c2ncc3c(n2)CC[C@H](N[C@@H]2CC[N@H+]4CCC[C@H]4C2)C3)cc1 ZINC000679022340 549617012 /nfs/dbraw/zinc/61/70/12/549617012.db2.gz DATYIKYOXODCCE-ZCNNSNEGSA-N 1 3 348.494 3.217 10 0 EGAEHO CN(C)CCOc1ccc(CN(CCC[NH3+])c2ccccc2F)cc1 ZINC000680335870 549851218 /nfs/dbraw/zinc/85/12/18/549851218.db2.gz MDBBAGGWBGIQAY-UHFFFAOYSA-N 1 3 345.462 3.122 10 0 EGAEHO CO[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1C ZINC000682245884 550086074 /nfs/dbraw/zinc/08/60/74/550086074.db2.gz VMZRLYLXISKIIV-PXNSSMCTSA-N 1 3 332.488 3.018 10 0 EGAEHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccoc3)CC2)c1 ZINC000727465451 574669570 /nfs/dbraw/zinc/66/95/70/574669570.db2.gz IEAYIUIWJMHDKH-UHFFFAOYSA-N 1 3 327.472 3.280 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000123281635 1293439920 /nfs/dbraw/zinc/43/99/20/1293439920.db2.gz DGKIFEWUBHQDIF-ROUUACIJSA-N 1 3 331.504 3.361 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000123281635 1293439924 /nfs/dbraw/zinc/43/99/24/1293439924.db2.gz DGKIFEWUBHQDIF-ROUUACIJSA-N 1 3 331.504 3.361 10 0 EGAEHO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894454772 1308896642 /nfs/dbraw/zinc/89/66/42/1308896642.db2.gz XRTPBFSOEHCIGJ-AFKBCAQJSA-N 1 3 344.499 3.217 10 0 EGAEHO c1nn(-c2ccccc2)c2c1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923314455 1322732225 /nfs/dbraw/zinc/73/22/25/1322732225.db2.gz HWGFFAWGPRZJRZ-JLYLLQBASA-N 1 3 336.483 3.151 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674120 1323105487 /nfs/dbraw/zinc/10/54/87/1323105487.db2.gz YCWTUCKKNIZHMJ-CHWSQXEVSA-N 1 3 349.466 3.444 10 0 EGAEHO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCNC[C@H]3C3CCCC3)c2c1 ZINC000925485850 1325172161 /nfs/dbraw/zinc/17/21/61/1325172161.db2.gz DPVVERKODCKKAM-FPOVZHCZSA-N 1 3 341.499 3.477 10 0 EGAEHO COc1ccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cc1OC ZINC000925487533 1325172326 /nfs/dbraw/zinc/17/23/26/1325172326.db2.gz CYRXTKCHHMHZFN-ZWKOTPCHSA-N 1 3 332.488 3.004 10 0 EGAEHO [NH3+][C@@H]1C[C@@H](NCC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498753 1325177745 /nfs/dbraw/zinc/17/77/45/1325177745.db2.gz SDOABQSPEGNXTP-HUUCEWRRSA-N 1 3 335.289 3.340 10 0 EGAEHO COc1ccccc1[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500495 1325179971 /nfs/dbraw/zinc/17/99/71/1325179971.db2.gz CYLQJWLIMOYAQM-LNLFQRSKSA-N 1 3 345.531 3.328 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925509936 1325183438 /nfs/dbraw/zinc/18/34/38/1325183438.db2.gz QGUWCHWIIOUEBZ-OALUTQOASA-N 1 3 340.515 3.493 10 0 EGAEHO COC(=O)Nc1ccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925579930 1325218944 /nfs/dbraw/zinc/21/89/44/1325218944.db2.gz IQRNCIOXOOKKBM-RBUKOAKNSA-N 1 3 345.487 3.165 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000925605293 1325229610 /nfs/dbraw/zinc/22/96/10/1325229610.db2.gz DYDPMIUHCBFMBL-RTBURBONSA-N 1 3 346.515 3.378 10 0 EGAEHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cc(N)ccn2)ccc1OC ZINC000925772583 1325293615 /nfs/dbraw/zinc/29/36/15/1325293615.db2.gz USJYBIKCXSIFGB-HNNXBMFYSA-N 1 3 342.487 3.365 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cc(Br)cs1 ZINC000925776850 1325294868 /nfs/dbraw/zinc/29/48/68/1325294868.db2.gz MZKOPTPDJNEZFM-BDAKNGLRSA-N 1 3 339.249 3.406 10 0 EGAEHO CCSc1ccccc1[C@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850046 1325329648 /nfs/dbraw/zinc/32/96/48/1325329648.db2.gz GTDPABUKEFPTOZ-LSDHHAIUSA-N 1 3 348.512 3.135 10 0 EGAEHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)cc1CN1CCCCC1 ZINC000863546210 1329562429 /nfs/dbraw/zinc/56/24/29/1329562429.db2.gz GCCWEGOLALSYQN-TXPKVOOTSA-N 1 3 331.504 3.082 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C[C@H](C)O1 ZINC000865470432 1329701970 /nfs/dbraw/zinc/70/19/70/1329701970.db2.gz BBXIXEKBMCSRDP-IYBDPMFKSA-N 1 3 345.462 3.353 10 0 EGAEHO CCN1CCN(CCC[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866231005 1330081554 /nfs/dbraw/zinc/08/15/54/1330081554.db2.gz LICJBDPEIXLUGI-NRFANRHFSA-N 1 3 337.511 3.444 10 0 EGAEHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000866697086 1330141915 /nfs/dbraw/zinc/14/19/15/1330141915.db2.gz FIZNEJXTGZPLQM-XLIONFOSSA-N 1 3 332.488 3.161 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001323170622 1387306223 /nfs/dbraw/zinc/30/62/23/1387306223.db2.gz RWQFYAUTHAKFNL-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)(C)CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001323244599 1387316670 /nfs/dbraw/zinc/31/66/70/1387316670.db2.gz ARTWVFOEFHVGGX-OALUTQOASA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)(C)CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001323244599 1387316671 /nfs/dbraw/zinc/31/66/71/1387316671.db2.gz ARTWVFOEFHVGGX-OALUTQOASA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001324096567 1387539779 /nfs/dbraw/zinc/53/97/79/1387539779.db2.gz COVAPPPCFUMFQB-MJGOQNOKSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001324831157 1387785166 /nfs/dbraw/zinc/78/51/66/1387785166.db2.gz BCFLFVIYKDHPMY-NRFANRHFSA-N 1 3 345.531 3.236 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001324864807 1387797125 /nfs/dbraw/zinc/79/71/25/1387797125.db2.gz UNGOBEAWOMDAER-UHFFFAOYSA-N 1 3 349.563 3.435 10 0 EGAEHO COC(=O)c1sccc1CN(CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194336 1368762750 /nfs/dbraw/zinc/76/27/50/1368762750.db2.gz MHYLNUSEJORIDV-UHFFFAOYSA-N 1 3 338.517 3.335 10 0 EGAEHO Cc1ccccc1OCCCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001198612149 1369072972 /nfs/dbraw/zinc/07/29/72/1369072972.db2.gz KKIQKMGVNLYROP-UHFFFAOYSA-N 1 3 346.515 3.077 10 0 EGAEHO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)cc1C ZINC001327173442 1388422029 /nfs/dbraw/zinc/42/20/29/1388422029.db2.gz QTKZTXULHJUGHY-FQEVSTJZSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN(C)C(C)C)CC2)cc1C ZINC001327173442 1388422034 /nfs/dbraw/zinc/42/20/34/1388422034.db2.gz QTKZTXULHJUGHY-FQEVSTJZSA-N 1 3 345.531 3.114 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001265681968 1377159308 /nfs/dbraw/zinc/15/93/08/1377159308.db2.gz INMUCHAMORRDRR-DSQZMVHQSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240220 1377242346 /nfs/dbraw/zinc/24/23/46/1377242346.db2.gz RDCXAWIJEFTTAF-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001266240220 1377242352 /nfs/dbraw/zinc/24/23/52/1377242352.db2.gz RDCXAWIJEFTTAF-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001268045273 1377483797 /nfs/dbraw/zinc/48/37/97/1377483797.db2.gz XHEWYOJHCHTBSN-WAYWQWQTSA-N 1 3 347.547 3.142 10 0 EGAEHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCC1)C1CCC1 ZINC001268156348 1377489233 /nfs/dbraw/zinc/48/92/33/1377489233.db2.gz XWHZVYPJDWRATL-HXUWFJFHSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001268741762 1377523791 /nfs/dbraw/zinc/52/37/91/1377523791.db2.gz YBPJVNBNBVJTJX-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001268741762 1377523794 /nfs/dbraw/zinc/52/37/94/1377523794.db2.gz YBPJVNBNBVJTJX-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CC[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001269740496 1377568724 /nfs/dbraw/zinc/56/87/24/1377568724.db2.gz HAXMIWGQTMHWJW-DUMMIQTOSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001327488475 1388533136 /nfs/dbraw/zinc/53/31/36/1388533136.db2.gz IVUXTXJJIKFEAD-ROUUACIJSA-N 1 3 339.568 3.370 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001282732850 1378581341 /nfs/dbraw/zinc/58/13/41/1378581341.db2.gz AZFDYMOPLHNFKE-KRWDZBQOSA-N 1 3 347.547 3.188 10 0 EGAEHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001282741928 1378592996 /nfs/dbraw/zinc/59/29/96/1378592996.db2.gz VSXNPLCMWQRXQA-ROUUACIJSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C1 ZINC001282957672 1378684919 /nfs/dbraw/zinc/68/49/19/1378684919.db2.gz IGOGBXLYIXQAQM-CEXWTWQISA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001282957672 1378684920 /nfs/dbraw/zinc/68/49/20/1378684920.db2.gz IGOGBXLYIXQAQM-CEXWTWQISA-N 1 3 337.552 3.124 10 0 EGAEHO CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001283434390 1378926165 /nfs/dbraw/zinc/92/61/65/1378926165.db2.gz PCOKUGNWXVHMKV-RTBURBONSA-N 1 3 331.504 3.106 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)[C@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554080 1379963041 /nfs/dbraw/zinc/96/30/41/1379963041.db2.gz YRTRIYRYIOZKTC-UXHICEINSA-N 1 3 345.531 3.183 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(C)C)N(C)C ZINC001284554080 1379963042 /nfs/dbraw/zinc/96/30/42/1379963042.db2.gz YRTRIYRYIOZKTC-UXHICEINSA-N 1 3 345.531 3.183 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1)N(C)C ZINC001284701899 1380116949 /nfs/dbraw/zinc/11/69/49/1380116949.db2.gz GQAXPGUUZXCLGN-YLJYHZDGSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1ccsc1 ZINC001328283439 1388714170 /nfs/dbraw/zinc/71/41/70/1388714170.db2.gz KZJVWZLQBOIDSF-SJLPKXTDSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001328620371 1388790743 /nfs/dbraw/zinc/79/07/43/1388790743.db2.gz IPMMUDZXGYNRNN-VQTJNVASSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@H](COCc1ccccc1)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308041504 1384080197 /nfs/dbraw/zinc/08/01/97/1384080197.db2.gz VIXCYDRSMCUUAH-OALUTQOASA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@H](COCc1ccccc1)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308041504 1384080201 /nfs/dbraw/zinc/08/02/01/1384080201.db2.gz VIXCYDRSMCUUAH-OALUTQOASA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@H](COCc1ccccc1)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041504 1384080213 /nfs/dbraw/zinc/08/02/13/1384080213.db2.gz VIXCYDRSMCUUAH-OALUTQOASA-N 1 3 339.483 3.445 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600916 1384467333 /nfs/dbraw/zinc/46/73/33/1384467333.db2.gz CVUPBIMZCDQGOE-QZTJIDSGSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600916 1384467335 /nfs/dbraw/zinc/46/73/35/1384467335.db2.gz CVUPBIMZCDQGOE-QZTJIDSGSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001316936122 1384708061 /nfs/dbraw/zinc/70/80/61/1384708061.db2.gz WTZGPAGRRMBGFP-LJQANCHMSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014265 1384778893 /nfs/dbraw/zinc/77/88/93/1384778893.db2.gz SQCPHCIVGPETAJ-VQTJNVASSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317100202 1384863610 /nfs/dbraw/zinc/86/36/10/1384863610.db2.gz OGAPXINJNXXXNX-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317100202 1384863614 /nfs/dbraw/zinc/86/36/14/1384863614.db2.gz OGAPXINJNXXXNX-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001317192995 1384967056 /nfs/dbraw/zinc/96/70/56/1384967056.db2.gz RDMKXEWJABJMHE-IXNXTHMNSA-N 1 3 343.515 3.011 10 0 EGAEHO CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317384161 1385108771 /nfs/dbraw/zinc/10/87/71/1385108771.db2.gz LLMJRDKQPPJYHR-OALUTQOASA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317384161 1385108774 /nfs/dbraw/zinc/10/87/74/1385108774.db2.gz LLMJRDKQPPJYHR-OALUTQOASA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317384163 1385108961 /nfs/dbraw/zinc/10/89/61/1385108961.db2.gz LLMJRDKQPPJYHR-RTBURBONSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001317384163 1385108962 /nfs/dbraw/zinc/10/89/62/1385108962.db2.gz LLMJRDKQPPJYHR-RTBURBONSA-N 1 3 337.552 3.364 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681436 1385390645 /nfs/dbraw/zinc/39/06/45/1385390645.db2.gz IWBYJAPVLDECOZ-HKUYNNGSSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001317688751 1385401002 /nfs/dbraw/zinc/40/10/02/1385401002.db2.gz ZLDKFVBOJJRCMU-WMZOPIPTSA-N 1 3 339.568 3.226 10 0 EGAEHO CC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccc(C(C)C)cc1 ZINC001317711980 1385413986 /nfs/dbraw/zinc/41/39/86/1385413986.db2.gz UYZDHPAABMBYCS-LJQANCHMSA-N 1 3 345.531 3.451 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001318406535 1385676760 /nfs/dbraw/zinc/67/67/60/1385676760.db2.gz IKDOETTWXXTVOQ-PXEQJPNCSA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001318406535 1385676763 /nfs/dbraw/zinc/67/67/63/1385676763.db2.gz IKDOETTWXXTVOQ-PXEQJPNCSA-N 1 3 335.536 3.140 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001318672260 1385829965 /nfs/dbraw/zinc/82/99/65/1385829965.db2.gz WONXRJKNDIGKTC-HZPDHXFCSA-N 1 3 349.544 3.140 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001319271264 1386034634 /nfs/dbraw/zinc/03/46/34/1386034634.db2.gz YQHDSSOFQYRTEV-WMLDXEAASA-N 1 3 347.528 3.083 10 0 EGAEHO C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001319533917 1386165664 /nfs/dbraw/zinc/16/56/64/1386165664.db2.gz LGHSKAJULPSANX-QGZVFWFLSA-N 1 3 337.552 3.291 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001319609372 1386207870 /nfs/dbraw/zinc/20/78/70/1386207870.db2.gz LLVQNSNHDRDXMB-ROUUACIJSA-N 1 3 339.568 3.416 10 0 EGAEHO CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001319663166 1386241545 /nfs/dbraw/zinc/24/15/45/1386241545.db2.gz MFHLKDPNYYSRJP-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CCC(C)(C)C ZINC001319849316 1386333440 /nfs/dbraw/zinc/33/34/40/1386333440.db2.gz OCFBWYUKLVFOCV-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948587 1386412009 /nfs/dbraw/zinc/41/20/09/1386412009.db2.gz YGDFYKISAVFFMN-ROUUACIJSA-N 1 3 339.568 3.416 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001320104293 1386516049 /nfs/dbraw/zinc/51/60/49/1386516049.db2.gz QHHKPXAIUDXZAM-XZZFYQAUSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]21 ZINC001320104293 1386516053 /nfs/dbraw/zinc/51/60/53/1386516053.db2.gz QHHKPXAIUDXZAM-XZZFYQAUSA-N 1 3 347.547 3.140 10 0 EGAEHO CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCCN2CC)c1 ZINC001322307702 1387153315 /nfs/dbraw/zinc/15/33/15/1387153315.db2.gz RQXCRMIIDXJPCX-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCCN2CC)c1 ZINC001322307702 1387153317 /nfs/dbraw/zinc/15/33/17/1387153317.db2.gz RQXCRMIIDXJPCX-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001322346623 1387165660 /nfs/dbraw/zinc/16/56/60/1387165660.db2.gz PFAIHLOMYWCXAT-ZYHOBAKYSA-N 1 3 349.563 3.482 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001329341823 1389067855 /nfs/dbraw/zinc/06/78/55/1389067855.db2.gz HFDNXLJKPDSYPN-QZTJIDSGSA-N 1 3 339.568 3.370 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001329576172 1389163079 /nfs/dbraw/zinc/16/30/79/1389163079.db2.gz YRQYTPOUYHDBKE-SJLPKXTDSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001329576172 1389163080 /nfs/dbraw/zinc/16/30/80/1389163080.db2.gz YRQYTPOUYHDBKE-SJLPKXTDSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330469297 1389422979 /nfs/dbraw/zinc/42/29/79/1389422979.db2.gz QQEBGGLRRXCRSC-GBESFXJTSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001330469297 1389422982 /nfs/dbraw/zinc/42/29/82/1389422982.db2.gz QQEBGGLRRXCRSC-GBESFXJTSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC001332031173 1389952829 /nfs/dbraw/zinc/95/28/29/1389952829.db2.gz JNOZCUHVMONLFE-UYAOXDASSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001332438819 1390118281 /nfs/dbraw/zinc/11/82/81/1390118281.db2.gz SSRIWTWOWKWYCB-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(C)(C)C ZINC001332788819 1390188487 /nfs/dbraw/zinc/18/84/87/1390188487.db2.gz KDXWMRJGDUZLDD-MSOLQXFVSA-N 1 3 339.568 3.416 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001332900243 1390212708 /nfs/dbraw/zinc/21/27/08/1390212708.db2.gz TXRSSMVLWVOELO-DLBZAZTESA-N 1 3 325.541 3.026 10 0 EGAEHO Cc1cc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cs1 ZINC001347782353 1391123646 /nfs/dbraw/zinc/12/36/46/1391123646.db2.gz OSXBEMWNIHWULO-UHFFFAOYSA-N 1 3 329.513 3.094 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001479328087 1392215933 /nfs/dbraw/zinc/21/59/33/1392215933.db2.gz LIEABWRZTWTKMM-CMZLPQLFSA-N 1 3 335.536 3.090 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001479337851 1392218865 /nfs/dbraw/zinc/21/88/65/1392218865.db2.gz FJLPQWXRLJEKRC-OTWHNJEPSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001479495515 1392256464 /nfs/dbraw/zinc/25/64/64/1392256464.db2.gz PFRDMZSTNBZQIM-YESZJQIVSA-N 1 3 349.494 3.101 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C)N(CC)CC ZINC001479719178 1392336585 /nfs/dbraw/zinc/33/65/85/1392336585.db2.gz ZUEXGJKVMMTOIL-NZSAHSFTSA-N 1 3 337.552 3.266 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C)N(CC)CC ZINC001479719178 1392336588 /nfs/dbraw/zinc/33/65/88/1392336588.db2.gz ZUEXGJKVMMTOIL-NZSAHSFTSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCC(C)CC1)CC2 ZINC001479988466 1392519898 /nfs/dbraw/zinc/51/98/98/1392519898.db2.gz PZBGQNNXAGPWMJ-ACBHZAAOSA-N 1 3 349.563 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001480266458 1392651476 /nfs/dbraw/zinc/65/14/76/1392651476.db2.gz STYRCSPWLYFXIX-INPAECQJSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001480266458 1392651481 /nfs/dbraw/zinc/65/14/81/1392651481.db2.gz STYRCSPWLYFXIX-INPAECQJSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480350114 1392699573 /nfs/dbraw/zinc/69/95/73/1392699573.db2.gz PQKPUQGGVNJFRG-HPFMTEOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001480697434 1392860686 /nfs/dbraw/zinc/86/06/86/1392860686.db2.gz FHPPZDBMTJCPFM-OALUTQOASA-N 1 3 349.563 3.458 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742603 1392909031 /nfs/dbraw/zinc/90/90/31/1392909031.db2.gz OIMFPZUTFYFFHA-OALUTQOASA-N 1 3 345.531 3.319 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480742603 1392909034 /nfs/dbraw/zinc/90/90/34/1392909034.db2.gz OIMFPZUTFYFFHA-OALUTQOASA-N 1 3 345.531 3.319 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001490611428 1394281683 /nfs/dbraw/zinc/28/16/83/1394281683.db2.gz UCPCSSKOWVKWHO-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950594 1406691165 /nfs/dbraw/zinc/69/11/65/1406691165.db2.gz ADWNIFHAAVNJST-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001491153292 1394452273 /nfs/dbraw/zinc/45/22/73/1394452273.db2.gz KBUWRZAMVWZJRB-KRWDZBQOSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740938 1394487243 /nfs/dbraw/zinc/48/72/43/1394487243.db2.gz GMVKTAWYCPJUBQ-VQTJNVASSA-N 1 3 345.531 3.148 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]CCC2CCCC2)CC1)N(C)C ZINC001482006744 1394666761 /nfs/dbraw/zinc/66/67/61/1394666761.db2.gz IHGFTDBPMNMVRF-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960352 1406713453 /nfs/dbraw/zinc/71/34/53/1406713453.db2.gz HGQIKLAPRBQHBD-RBUKOAKNSA-N 1 3 349.563 3.172 10 0 EGAEHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001482454117 1395012592 /nfs/dbraw/zinc/01/25/92/1395012592.db2.gz FQTSVAYZGQKPCQ-RTBURBONSA-N 1 3 347.547 3.022 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001483958394 1395162650 /nfs/dbraw/zinc/16/26/50/1395162650.db2.gz HEPUHHPYOTVAOF-VQTJNVASSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)=CCN1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484053228 1395216627 /nfs/dbraw/zinc/21/66/27/1395216627.db2.gz BEYBFEUGVYNXHZ-HXUWFJFHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)=CCN1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001484053228 1395216631 /nfs/dbraw/zinc/21/66/31/1395216631.db2.gz BEYBFEUGVYNXHZ-HXUWFJFHSA-N 1 3 335.536 3.188 10 0 EGAEHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC001484057332 1395220345 /nfs/dbraw/zinc/22/03/45/1395220345.db2.gz IFSSLLUBFQLZNB-OAQYLSRUSA-N 1 3 345.531 3.016 10 0 EGAEHO C[C@@H](c1ccc(Cl)cc1)N1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072197 1395234464 /nfs/dbraw/zinc/23/44/64/1395234464.db2.gz RPFNKWMKPZMQPW-KXBFYZLASA-N 1 3 349.906 3.077 10 0 EGAEHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001484168325 1395305703 /nfs/dbraw/zinc/30/57/03/1395305703.db2.gz MRTHLNLRMQJQKJ-FPOVZHCZSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001484168325 1395305706 /nfs/dbraw/zinc/30/57/06/1395305706.db2.gz MRTHLNLRMQJQKJ-FPOVZHCZSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001484828313 1395566359 /nfs/dbraw/zinc/56/63/59/1395566359.db2.gz AQZIGPGVHALRJM-FQEVSTJZSA-N 1 3 346.519 3.093 10 0 EGAEHO CC(C)(C)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001484828313 1395566363 /nfs/dbraw/zinc/56/63/63/1395566363.db2.gz AQZIGPGVHALRJM-FQEVSTJZSA-N 1 3 346.519 3.093 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc2C1 ZINC001484874553 1395577062 /nfs/dbraw/zinc/57/70/62/1395577062.db2.gz SYULPFVKYVZZQL-UZLBHIALSA-N 1 3 345.531 3.251 10 0 EGAEHO CC[C@@H](C)C[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc2C1 ZINC001484874553 1395577066 /nfs/dbraw/zinc/57/70/66/1395577066.db2.gz SYULPFVKYVZZQL-UZLBHIALSA-N 1 3 345.531 3.251 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978924 1395619445 /nfs/dbraw/zinc/61/94/45/1395619445.db2.gz KIIVXDAKANWWMA-MJGOQNOKSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCC1CCCCC1 ZINC001484978924 1395619455 /nfs/dbraw/zinc/61/94/55/1395619455.db2.gz KIIVXDAKANWWMA-MJGOQNOKSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001485390256 1395882165 /nfs/dbraw/zinc/88/21/65/1395882165.db2.gz YQDAXWFSNBDTJP-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001485390256 1395882168 /nfs/dbraw/zinc/88/21/68/1395882168.db2.gz YQDAXWFSNBDTJP-QGZVFWFLSA-N 1 3 345.531 3.231 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494876844 1396505180 /nfs/dbraw/zinc/50/51/80/1396505180.db2.gz RGOPMUWVJRSJJU-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494876844 1396505182 /nfs/dbraw/zinc/50/51/82/1396505182.db2.gz RGOPMUWVJRSJJU-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001497689617 1396785509 /nfs/dbraw/zinc/78/55/09/1396785509.db2.gz AIKKIZNKTDUOJG-RPAKOWINSA-N 1 3 349.563 3.338 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001689056519 1396857895 /nfs/dbraw/zinc/85/78/95/1396857895.db2.gz VFSQIUKAOGKQQJ-ROUUACIJSA-N 1 3 339.568 3.371 10 0 EGAEHO CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001689124903 1396930331 /nfs/dbraw/zinc/93/03/31/1396930331.db2.gz HUYJDWGBFPXADX-GUDVDZBRSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1CC ZINC001689197854 1396968786 /nfs/dbraw/zinc/96/87/86/1396968786.db2.gz HFVNFYGAYYLLQK-IPMKNSEASA-N 1 3 337.552 3.266 10 0 EGAEHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@H]1CC ZINC001689197854 1396968790 /nfs/dbraw/zinc/96/87/90/1396968790.db2.gz HFVNFYGAYYLLQK-IPMKNSEASA-N 1 3 337.552 3.266 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490016 1397034397 /nfs/dbraw/zinc/03/43/97/1397034397.db2.gz XFXWRWDAYSJWCI-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCCCC1 ZINC001689859462 1404174160 /nfs/dbraw/zinc/17/41/60/1404174160.db2.gz QHKNTYMOPHHUPH-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCCCC1 ZINC001689859462 1404174161 /nfs/dbraw/zinc/17/41/61/1404174161.db2.gz QHKNTYMOPHHUPH-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CCC)CC[C@@H]21 ZINC001690318444 1404476030 /nfs/dbraw/zinc/47/60/30/1404476030.db2.gz UAUHVFCVTXKKTL-OALUTQOASA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CCC)CC[C@@H]21 ZINC001690318444 1404476035 /nfs/dbraw/zinc/47/60/35/1404476035.db2.gz UAUHVFCVTXKKTL-OALUTQOASA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001690487384 1404601784 /nfs/dbraw/zinc/60/17/84/1404601784.db2.gz RHRWYMATMQTWBG-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001690880840 1404794242 /nfs/dbraw/zinc/79/42/42/1404794242.db2.gz BVRQHGLIWGYHRZ-KRWDZBQOSA-N 1 3 341.499 3.164 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C(C)C ZINC001691353991 1405211337 /nfs/dbraw/zinc/21/13/37/1405211337.db2.gz TUBRAEDBTRSWKW-CEXWTWQISA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001691637179 1405373394 /nfs/dbraw/zinc/37/33/94/1405373394.db2.gz UWANVMVXPPVHHG-GOSISDBHSA-N 1 3 349.494 3.027 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001691726681 1405450091 /nfs/dbraw/zinc/45/00/91/1405450091.db2.gz CGMWFPPRZXKKMQ-VQIMIIECSA-N 1 3 344.503 3.059 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001691726679 1405450219 /nfs/dbraw/zinc/45/02/19/1405450219.db2.gz CGMWFPPRZXKKMQ-LPHOPBHVSA-N 1 3 344.503 3.059 10 0 EGAEHO C[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001692258007 1405886295 /nfs/dbraw/zinc/88/62/95/1405886295.db2.gz ZRCOAGAYZLTBIE-LPHOPBHVSA-N 1 3 349.494 3.151 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001698553884 1406152013 /nfs/dbraw/zinc/15/20/13/1406152013.db2.gz SVVQEXUBNHRNHS-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001698553884 1406152015 /nfs/dbraw/zinc/15/20/15/1406152015.db2.gz SVVQEXUBNHRNHS-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221875 1428470455 /nfs/dbraw/zinc/47/04/55/1428470455.db2.gz HHXKRIPGIKFXLY-QUCCMNQESA-N 1 3 345.531 3.244 10 0 EGAEHO Cc1ccc(C[NH+]2CCC(CCNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001732325647 1428534442 /nfs/dbraw/zinc/53/44/42/1428534442.db2.gz YOFLWPRPCQWZTI-UHFFFAOYSA-N 1 3 345.531 3.054 10 0 EGAEHO CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001732330445 1428536839 /nfs/dbraw/zinc/53/68/39/1428536839.db2.gz BWKMIOVBEJPWLF-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001732330445 1428536840 /nfs/dbraw/zinc/53/68/40/1428536840.db2.gz BWKMIOVBEJPWLF-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001699307423 1412629500 /nfs/dbraw/zinc/62/95/00/1412629500.db2.gz GEHTUTCDHJGAPR-MFTLYIETSA-N 1 3 337.895 3.003 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001699606899 1412970636 /nfs/dbraw/zinc/97/06/36/1412970636.db2.gz OPZXDQUFXHOSOC-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697919 1413109099 /nfs/dbraw/zinc/10/90/99/1413109099.db2.gz VNRPMCDYVPXKLT-CQQBXOTJSA-N 1 3 349.563 3.389 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001699697919 1413109102 /nfs/dbraw/zinc/10/91/02/1413109102.db2.gz VNRPMCDYVPXKLT-CQQBXOTJSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1)N1CCCCC1 ZINC001699798294 1413208006 /nfs/dbraw/zinc/20/80/06/1413208006.db2.gz FYHPPMKFEXWKQR-WOJBJXKFSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001699862416 1413297635 /nfs/dbraw/zinc/29/76/35/1413297635.db2.gz VJLYLLZVNAJEEV-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699875080 1413330591 /nfs/dbraw/zinc/33/05/91/1413330591.db2.gz QTIPNTDIFNTCQY-RURPWVQCSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@](C)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001699875080 1413330597 /nfs/dbraw/zinc/33/05/97/1413330597.db2.gz QTIPNTDIFNTCQY-RURPWVQCSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876443 1413335343 /nfs/dbraw/zinc/33/53/43/1413335343.db2.gz YATJNBUEISSIIG-XJDXJNMNSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C2CCC2)C1 ZINC001699876443 1413335348 /nfs/dbraw/zinc/33/53/48/1413335348.db2.gz YATJNBUEISSIIG-XJDXJNMNSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001700011823 1413454491 /nfs/dbraw/zinc/45/44/91/1413454491.db2.gz LKQKDZBACWYTOQ-OTWHNJEPSA-N 1 3 335.536 3.115 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001700011823 1413454493 /nfs/dbraw/zinc/45/44/93/1413454493.db2.gz LKQKDZBACWYTOQ-OTWHNJEPSA-N 1 3 335.536 3.115 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001700011821 1413454450 /nfs/dbraw/zinc/45/44/50/1413454450.db2.gz LKQKDZBACWYTOQ-GUDVDZBRSA-N 1 3 335.536 3.115 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001700011821 1413454454 /nfs/dbraw/zinc/45/44/54/1413454454.db2.gz LKQKDZBACWYTOQ-GUDVDZBRSA-N 1 3 335.536 3.115 10 0 EGAEHO CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001700103198 1413521021 /nfs/dbraw/zinc/52/10/21/1413521021.db2.gz QMJATPHPMMDFBE-GUDVDZBRSA-N 1 3 337.552 3.029 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001700184381 1413602594 /nfs/dbraw/zinc/60/25/94/1413602594.db2.gz LQRTZOUADSQINA-GOSISDBHSA-N 1 3 349.494 3.028 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557895 1428746099 /nfs/dbraw/zinc/74/60/99/1428746099.db2.gz HTSRRDXTWLWGEW-RTBURBONSA-N 1 3 335.536 3.092 10 0 EGAEHO CC[N@H+](CCC(C)C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700340866 1413821603 /nfs/dbraw/zinc/82/16/03/1413821603.db2.gz JQTKKJUJJHJLND-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[N@@H+](CCC(C)C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700340866 1413821615 /nfs/dbraw/zinc/82/16/15/1413821615.db2.gz JQTKKJUJJHJLND-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C)C[N@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700341588 1413824461 /nfs/dbraw/zinc/82/44/61/1413824461.db2.gz WVSDERHICDDJRQ-QGZVFWFLSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C)C[N@@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700341588 1413824465 /nfs/dbraw/zinc/82/44/65/1413824465.db2.gz WVSDERHICDDJRQ-QGZVFWFLSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001700379313 1413906331 /nfs/dbraw/zinc/90/63/31/1413906331.db2.gz SZKUWJRUWQWASD-CTWPCTMYSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001700461655 1414060851 /nfs/dbraw/zinc/06/08/51/1414060851.db2.gz AJABRHZILJSWKV-UXRNRCMTSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001700461655 1414060857 /nfs/dbraw/zinc/06/08/57/1414060857.db2.gz AJABRHZILJSWKV-UXRNRCMTSA-N 1 3 343.515 3.009 10 0 EGAEHO CC[N@H+](C)CCC(=O)NC1(CNCc2ccccc2F)CCCCC1 ZINC001700515740 1414167253 /nfs/dbraw/zinc/16/72/53/1414167253.db2.gz KHVLYUPHIFVFHX-UHFFFAOYSA-N 1 3 349.494 3.076 10 0 EGAEHO CC[N@@H+](C)CCC(=O)NC1(CNCc2ccccc2F)CCCCC1 ZINC001700515740 1414167255 /nfs/dbraw/zinc/16/72/55/1414167255.db2.gz KHVLYUPHIFVFHX-UHFFFAOYSA-N 1 3 349.494 3.076 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700522236 1414177917 /nfs/dbraw/zinc/17/79/17/1414177917.db2.gz YSDJYJQHUCEJKT-UHFFFAOYSA-N 1 3 346.519 3.250 10 0 EGAEHO C[C@H](CCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001700684851 1414337650 /nfs/dbraw/zinc/33/76/50/1414337650.db2.gz SZQCYVJSLQZMAE-CVEARBPZSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001700875655 1414529865 /nfs/dbraw/zinc/52/98/65/1414529865.db2.gz SZPWYUWPFDVKIS-ZCNNSNEGSA-N 1 3 349.563 3.124 10 0 EGAEHO CCc1ccc(CN(C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001732597107 1428836943 /nfs/dbraw/zinc/83/69/43/1428836943.db2.gz HFNKTIXZPSVPSZ-ROUUACIJSA-N 1 3 345.531 3.012 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450128 1417354438 /nfs/dbraw/zinc/35/44/38/1417354438.db2.gz ZGWXPSIMNMWBQL-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001712952569 1417510632 /nfs/dbraw/zinc/51/06/32/1417510632.db2.gz PYDQPQMXBJVWLV-IAGOWNOFSA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@H](c1ccccc1F)N(C)CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001712952569 1417510634 /nfs/dbraw/zinc/51/06/34/1417510634.db2.gz PYDQPQMXBJVWLV-IAGOWNOFSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001712972126 1417525344 /nfs/dbraw/zinc/52/53/44/1417525344.db2.gz MMGHVOZGLKUGDH-IBGZPJMESA-N 1 3 347.547 3.262 10 0 EGAEHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001712972126 1417525349 /nfs/dbraw/zinc/52/53/49/1417525349.db2.gz MMGHVOZGLKUGDH-IBGZPJMESA-N 1 3 347.547 3.262 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001713183768 1417759325 /nfs/dbraw/zinc/75/93/25/1417759325.db2.gz WPNUTUGXIQMXDJ-IHWFROFDSA-N 1 3 349.563 3.409 10 0 EGAEHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001713183768 1417759337 /nfs/dbraw/zinc/75/93/37/1417759337.db2.gz WPNUTUGXIQMXDJ-IHWFROFDSA-N 1 3 349.563 3.409 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCC1CCCCCC1 ZINC001733065146 1429218247 /nfs/dbraw/zinc/21/82/47/1429218247.db2.gz GXMPPWKHDIJHJW-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCC1CCCCCC1 ZINC001733065146 1429218249 /nfs/dbraw/zinc/21/82/49/1429218249.db2.gz GXMPPWKHDIJHJW-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001713417350 1418040640 /nfs/dbraw/zinc/04/06/40/1418040640.db2.gz OQHLWCABDUQZID-QUHFKBAASA-N 1 3 341.515 3.040 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001713438624 1418071871 /nfs/dbraw/zinc/07/18/71/1418071871.db2.gz GQLXWOCLURKQEZ-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001713438624 1418071875 /nfs/dbraw/zinc/07/18/75/1418071875.db2.gz GQLXWOCLURKQEZ-UXHICEINSA-N 1 3 349.563 3.410 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001713677080 1418429442 /nfs/dbraw/zinc/42/94/42/1418429442.db2.gz KOBFCGJSUPQFMA-DKRLNXSXSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1)N(CC)CC ZINC001713831107 1418630094 /nfs/dbraw/zinc/63/00/94/1418630094.db2.gz QDSIKXZZFOTIKI-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)N(CC)CC ZINC001713831107 1418630095 /nfs/dbraw/zinc/63/00/95/1418630095.db2.gz QDSIKXZZFOTIKI-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075630 1418870164 /nfs/dbraw/zinc/87/01/64/1418870164.db2.gz YUEJFOYMUKZIJM-PMACEKPBSA-N 1 3 345.531 3.161 10 0 EGAEHO CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001714187094 1418994204 /nfs/dbraw/zinc/99/42/04/1418994204.db2.gz GSGFEENEZYCFTD-MZCYRKOTSA-N 1 3 335.536 3.233 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001714307186 1419087424 /nfs/dbraw/zinc/08/74/24/1419087424.db2.gz CUDSVZQNABODRO-QAQDUYKDSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001714417834 1419154731 /nfs/dbraw/zinc/15/47/31/1419154731.db2.gz RBCFYCFNIVZNJC-JFYHIKNKSA-N 1 3 343.515 3.057 10 0 EGAEHO CN(CC(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl)CC(C)(C)C ZINC001714527357 1419253551 /nfs/dbraw/zinc/25/35/51/1419253551.db2.gz MUPCDPWCVMAMEW-OJXHRBAXSA-N 1 3 343.943 3.078 10 0 EGAEHO CN(CC(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl)CC(C)(C)C ZINC001714527357 1419253552 /nfs/dbraw/zinc/25/35/52/1419253552.db2.gz MUPCDPWCVMAMEW-OJXHRBAXSA-N 1 3 343.943 3.078 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001714806757 1419519275 /nfs/dbraw/zinc/51/92/75/1419519275.db2.gz LKPYVSRKTROZSZ-OSJSJHBBSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001714841604 1419554055 /nfs/dbraw/zinc/55/40/55/1419554055.db2.gz QUYWEOWHFQXIGK-HXUWFJFHSA-N 1 3 345.531 3.354 10 0 EGAEHO CN(CC(=O)NCC[C@@H]1CC[N@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001714881213 1419617611 /nfs/dbraw/zinc/61/76/11/1419617611.db2.gz HKKNSYUKMXUOOW-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001714881213 1419617613 /nfs/dbraw/zinc/61/76/13/1419617613.db2.gz HKKNSYUKMXUOOW-QGZVFWFLSA-N 1 3 339.568 3.229 10 0 EGAEHO CC[C@H](C)C[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCC1 ZINC001715101235 1419841668 /nfs/dbraw/zinc/84/16/68/1419841668.db2.gz ZIPJAYSIHXKCNR-INIZCTEOSA-N 1 3 325.541 3.029 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCN1C(C)C ZINC001715382571 1420079531 /nfs/dbraw/zinc/07/95/31/1420079531.db2.gz LOMULHFMKHWNNZ-WOJBJXKFSA-N 1 3 349.563 3.480 10 0 EGAEHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C3CCC3)cc2)CC1)N(C)C ZINC001733247085 1429393312 /nfs/dbraw/zinc/39/33/12/1429393312.db2.gz HIVQEGRHVZFZQS-LJQANCHMSA-N 1 3 343.515 3.033 10 0 EGAEHO C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001715464256 1420143841 /nfs/dbraw/zinc/14/38/41/1420143841.db2.gz YVTWFLKLQSXUCR-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001715543172 1420240728 /nfs/dbraw/zinc/24/07/28/1420240728.db2.gz AIUINCULCJWAKR-VQTJNVASSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001715543172 1420240730 /nfs/dbraw/zinc/24/07/30/1420240730.db2.gz AIUINCULCJWAKR-VQTJNVASSA-N 1 3 349.563 3.077 10 0 EGAEHO C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001715681078 1420291964 /nfs/dbraw/zinc/29/19/64/1420291964.db2.gz GAGUOQNUIXCGRM-KXBFYZLASA-N 1 3 343.531 3.120 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1 ZINC001716049508 1420513720 /nfs/dbraw/zinc/51/37/20/1420513720.db2.gz BSRHLSKXCZWUTI-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001716049508 1420513721 /nfs/dbraw/zinc/51/37/21/1420513721.db2.gz BSRHLSKXCZWUTI-PMACEKPBSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001716465816 1420678882 /nfs/dbraw/zinc/67/88/82/1420678882.db2.gz KZEVMHHZZGHBBL-DLBZAZTESA-N 1 3 341.499 3.335 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716520588 1420748889 /nfs/dbraw/zinc/74/88/89/1420748889.db2.gz MSUANDNKVIRVTL-UXHICEINSA-N 1 3 349.563 3.482 10 0 EGAEHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001716634698 1420792805 /nfs/dbraw/zinc/79/28/05/1420792805.db2.gz FEFZGGJZBRVVTE-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001716893750 1421020296 /nfs/dbraw/zinc/02/02/96/1421020296.db2.gz BNLSOSNCAYXAOD-ICSRJNTNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001716893750 1421020297 /nfs/dbraw/zinc/02/02/97/1421020297.db2.gz BNLSOSNCAYXAOD-ICSRJNTNSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001717088201 1421104736 /nfs/dbraw/zinc/10/47/36/1421104736.db2.gz QORQHQMUUZIBPU-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCN1C(C)C ZINC001717112747 1421116624 /nfs/dbraw/zinc/11/66/24/1421116624.db2.gz NHBLECAGCGKSGV-HXUWFJFHSA-N 1 3 345.531 3.263 10 0 EGAEHO CC(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCN1C(C)C ZINC001717112747 1421116627 /nfs/dbraw/zinc/11/66/27/1421116627.db2.gz NHBLECAGCGKSGV-HXUWFJFHSA-N 1 3 345.531 3.263 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001717117076 1421121557 /nfs/dbraw/zinc/12/15/57/1421121557.db2.gz ZUXDIRUALPICFD-QFBILLFUSA-N 1 3 349.494 3.186 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)NCCF)cc1 ZINC001717117076 1421121561 /nfs/dbraw/zinc/12/15/61/1421121561.db2.gz ZUXDIRUALPICFD-QFBILLFUSA-N 1 3 349.494 3.186 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCC1 ZINC001717159418 1421149007 /nfs/dbraw/zinc/14/90/07/1421149007.db2.gz ZJSDDKXDWYKDNH-XDXAGZTOSA-N 1 3 335.536 3.236 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717162696 1421153142 /nfs/dbraw/zinc/15/31/42/1421153142.db2.gz FKEDFRONMDGXMD-QZTJIDSGSA-N 1 3 349.563 3.458 10 0 EGAEHO CCc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202429 1421171047 /nfs/dbraw/zinc/17/10/47/1421171047.db2.gz RZYALZXXHCYQPJ-HXUWFJFHSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001717202429 1421171049 /nfs/dbraw/zinc/17/10/49/1421171049.db2.gz RZYALZXXHCYQPJ-HXUWFJFHSA-N 1 3 345.531 3.060 10 0 EGAEHO CN(CC(=O)N1CCC(C)([NH2+]CC2CCCC2)CC1)CC(C)(C)C ZINC001717301560 1421243655 /nfs/dbraw/zinc/24/36/55/1421243655.db2.gz VOJRGDAEVNIMBC-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC001717336889 1421274119 /nfs/dbraw/zinc/27/41/19/1421274119.db2.gz TYDZVSZHVGHRQT-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC001717336889 1421274120 /nfs/dbraw/zinc/27/41/20/1421274120.db2.gz TYDZVSZHVGHRQT-MJGOQNOKSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC001717490031 1421428534 /nfs/dbraw/zinc/42/85/34/1421428534.db2.gz DNAAXRUVZVJMOV-SJLPKXTDSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001717490031 1421428535 /nfs/dbraw/zinc/42/85/35/1421428535.db2.gz DNAAXRUVZVJMOV-SJLPKXTDSA-N 1 3 337.552 3.122 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001717652671 1421551980 /nfs/dbraw/zinc/55/19/80/1421551980.db2.gz QRBRFPGGFKHFAC-CADBVGFASA-N 1 3 337.552 3.027 10 0 EGAEHO CCc1cccc(C[N@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001717705452 1421580302 /nfs/dbraw/zinc/58/03/02/1421580302.db2.gz GGFWCPKTRAZEJJ-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1cccc(C[N@@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001717705452 1421580304 /nfs/dbraw/zinc/58/03/04/1421580304.db2.gz GGFWCPKTRAZEJJ-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO C[C@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736139 1421600864 /nfs/dbraw/zinc/60/08/64/1421600864.db2.gz KUOXGHSHMVENGQ-FXAWDEMLSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736142 1421600887 /nfs/dbraw/zinc/60/08/87/1421600887.db2.gz KUOXGHSHMVENGQ-YLJYHZDGSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001717756435 1421619720 /nfs/dbraw/zinc/61/97/20/1421619720.db2.gz FLWMEBZVDZMDBV-CABCVRRESA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001717950472 1421719446 /nfs/dbraw/zinc/71/94/46/1421719446.db2.gz UTWAZBDHLOPNIU-RBUKOAKNSA-N 1 3 335.536 3.138 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001717950472 1421719448 /nfs/dbraw/zinc/71/94/48/1421719448.db2.gz UTWAZBDHLOPNIU-RBUKOAKNSA-N 1 3 335.536 3.138 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC001717983925 1421756180 /nfs/dbraw/zinc/75/61/80/1421756180.db2.gz QBNUJQQORYNGJT-FXAWDEMLSA-N 1 3 345.531 3.052 10 0 EGAEHO CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001717985057 1421757673 /nfs/dbraw/zinc/75/76/73/1421757673.db2.gz WMJJNOMRSRLTRS-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001733457436 1429676790 /nfs/dbraw/zinc/67/67/90/1429676790.db2.gz DKCLHMKQWNYWSA-ABDUDLSGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001733457436 1429676792 /nfs/dbraw/zinc/67/67/92/1429676792.db2.gz DKCLHMKQWNYWSA-ABDUDLSGSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001724154153 1424695794 /nfs/dbraw/zinc/69/57/94/1424695794.db2.gz MEMQZAREXTYXST-KDCRJJDASA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001724154153 1424695798 /nfs/dbraw/zinc/69/57/98/1424695798.db2.gz MEMQZAREXTYXST-KDCRJJDASA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)NCC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001724307329 1424790039 /nfs/dbraw/zinc/79/00/39/1424790039.db2.gz ZJRNCOCAVZBLTL-GOSISDBHSA-N 1 3 345.531 3.306 10 0 EGAEHO CC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1CC ZINC001724511822 1424888512 /nfs/dbraw/zinc/88/85/12/1424888512.db2.gz MCSYIGFYKHJLSR-VQTJNVASSA-N 1 3 345.531 3.279 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001724598669 1424930381 /nfs/dbraw/zinc/93/03/81/1424930381.db2.gz ABFXABBGBUKWSR-RLWBPELLSA-N 1 3 349.563 3.149 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001724800581 1425169302 /nfs/dbraw/zinc/16/93/02/1425169302.db2.gz NXTROSVVPDITHE-IAGOWNOFSA-N 1 3 335.536 3.068 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001724835244 1425182258 /nfs/dbraw/zinc/18/22/58/1425182258.db2.gz PLUWQJDLUNQPJR-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001724835244 1425182260 /nfs/dbraw/zinc/18/22/60/1425182260.db2.gz PLUWQJDLUNQPJR-SFHVURJKSA-N 1 3 337.552 3.412 10 0 EGAEHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058401 1425497736 /nfs/dbraw/zinc/49/77/36/1425497736.db2.gz KKGAFVNBSTWPCU-YLJYHZDGSA-N 1 3 345.531 3.331 10 0 EGAEHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725058401 1425497740 /nfs/dbraw/zinc/49/77/40/1425497740.db2.gz KKGAFVNBSTWPCU-YLJYHZDGSA-N 1 3 345.531 3.331 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725060436 1425500659 /nfs/dbraw/zinc/50/06/59/1425500659.db2.gz UEHSNNSPYKBVQC-HXUWFJFHSA-N 1 3 345.531 3.331 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725060436 1425500666 /nfs/dbraw/zinc/50/06/66/1425500666.db2.gz UEHSNNSPYKBVQC-HXUWFJFHSA-N 1 3 345.531 3.331 10 0 EGAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725108532 1425561542 /nfs/dbraw/zinc/56/15/42/1425561542.db2.gz MPDMGDPZDSNNQA-IUQNVBDQSA-N 1 3 345.531 3.161 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167165 1425672391 /nfs/dbraw/zinc/67/23/91/1425672391.db2.gz USNUNTNUPHTKIO-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001725167165 1425672398 /nfs/dbraw/zinc/67/23/98/1425672398.db2.gz USNUNTNUPHTKIO-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725179723 1425702564 /nfs/dbraw/zinc/70/25/64/1425702564.db2.gz JJNDIKLISTXETM-APWZRJJASA-N 1 3 343.531 3.072 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725179723 1425702566 /nfs/dbraw/zinc/70/25/66/1425702566.db2.gz JJNDIKLISTXETM-APWZRJJASA-N 1 3 343.531 3.072 10 0 EGAEHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001725478940 1426154059 /nfs/dbraw/zinc/15/40/59/1426154059.db2.gz FROAFLRVRHFVKO-QGZVFWFLSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001725730155 1426399056 /nfs/dbraw/zinc/39/90/56/1426399056.db2.gz CCEXKDYNEXTBPH-SFHVURJKSA-N 1 3 345.531 3.258 10 0 EGAEHO CCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001725829166 1426506508 /nfs/dbraw/zinc/50/65/08/1426506508.db2.gz IDTZJEFZUCRNBZ-IBGZPJMESA-N 1 3 335.536 3.189 10 0 EGAEHO CCCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001725829166 1426506509 /nfs/dbraw/zinc/50/65/09/1426506509.db2.gz IDTZJEFZUCRNBZ-IBGZPJMESA-N 1 3 335.536 3.189 10 0 EGAEHO CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)C(C)C ZINC001733681052 1429888847 /nfs/dbraw/zinc/88/88/47/1429888847.db2.gz SRWWTTANERWLEK-UHFFFAOYSA-N 1 3 331.504 3.041 10 0 EGAEHO CC(C)=CC[N@H+](C)Cc1ccccc1CNC(=O)CN(C)C(C)C ZINC001733681052 1429888850 /nfs/dbraw/zinc/88/88/50/1429888850.db2.gz SRWWTTANERWLEK-UHFFFAOYSA-N 1 3 331.504 3.041 10 0 EGAEHO CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001734088699 1437873679 /nfs/dbraw/zinc/87/36/79/1437873679.db2.gz RLAKJRUITCWTTI-GOSISDBHSA-N 1 3 337.552 3.314 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001734346327 1438065252 /nfs/dbraw/zinc/06/52/52/1438065252.db2.gz UMYRCELUBCAYPD-UYAOXDASSA-N 1 3 347.547 3.135 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487885 1438129437 /nfs/dbraw/zinc/12/94/37/1438129437.db2.gz OQLALJKZZMSKQX-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001734614650 1438187495 /nfs/dbraw/zinc/18/74/95/1438187495.db2.gz XAKYDUMTNJYBEN-MRXNPFEDSA-N 1 3 349.563 3.124 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377724022 169068825 /nfs/dbraw/zinc/06/88/25/169068825.db2.gz OBSXIIIFZWUSKT-KRWDZBQOSA-N 1 3 326.488 3.015 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000377724022 169068826 /nfs/dbraw/zinc/06/88/26/169068826.db2.gz OBSXIIIFZWUSKT-KRWDZBQOSA-N 1 3 326.488 3.015 10 0 EGAEHO C[C@H](CC(=O)N(C)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000268809742 252260915 /nfs/dbraw/zinc/26/09/15/252260915.db2.gz APHKQWRSUOCPMH-MRXNPFEDSA-N 1 3 329.488 3.035 10 0 EGAEHO Cc1nccn1CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268834781 252283419 /nfs/dbraw/zinc/28/34/19/252283419.db2.gz GIIOCEGBXQBGFG-PXNSSMCTSA-N 1 3 326.488 3.082 10 0 EGAEHO c1cn(-c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)cn1 ZINC000246863430 141039933 /nfs/dbraw/zinc/03/99/33/141039933.db2.gz PQXPCBIWDXUCBH-GHTZIAJQSA-N 1 3 336.483 3.321 10 0 EGAEHO c1cn(-c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)cn1 ZINC000246863430 141039934 /nfs/dbraw/zinc/03/99/34/141039934.db2.gz PQXPCBIWDXUCBH-GHTZIAJQSA-N 1 3 336.483 3.321 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000353456358 141300557 /nfs/dbraw/zinc/30/05/57/141300557.db2.gz VPSYYUHCMWFKAH-QYZOEREBSA-N 1 3 329.488 3.365 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000372765978 157379119 /nfs/dbraw/zinc/37/91/19/157379119.db2.gz KGQGDRFAPFSQMG-HMXCVIKNSA-N 1 3 346.515 3.312 10 0 EGAEHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000125404756 162273045 /nfs/dbraw/zinc/27/30/45/162273045.db2.gz SQUYMKNNKJTOBY-AWEZNQCLSA-N 1 3 347.894 3.303 10 0 EGAEHO Fc1ccc(-c2noc(CCCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000248453775 163006659 /nfs/dbraw/zinc/00/66/59/163006659.db2.gz HAWHQSZAYOCAJI-IRXDYDNUSA-N 1 3 344.434 3.025 10 0 EGAEHO Fc1ccc(-c2noc(CCCN[C@H]3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000248453775 163006662 /nfs/dbraw/zinc/00/66/62/163006662.db2.gz HAWHQSZAYOCAJI-IRXDYDNUSA-N 1 3 344.434 3.025 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000248757657 163033438 /nfs/dbraw/zinc/03/34/38/163033438.db2.gz GHTDDUBFGSAVHU-QKYXUNIQSA-N 1 3 332.488 3.235 10 0 EGAEHO COc1cc(C)c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(C)n1 ZINC000355212177 166135208 /nfs/dbraw/zinc/13/52/08/166135208.db2.gz HXKBWZVZKFPYIV-LJQANCHMSA-N 1 3 339.483 3.319 10 0 EGAEHO c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000358942184 167014434 /nfs/dbraw/zinc/01/44/34/167014434.db2.gz MVIKVIFCAKJCET-OXQOHEQNSA-N 1 3 336.483 3.324 10 0 EGAEHO CC[C@H](C)N[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566552 167195010 /nfs/dbraw/zinc/19/50/10/167195010.db2.gz WAXVDHWHOYAIDN-ULQDDVLXSA-N 1 3 335.492 3.090 10 0 EGAEHO CC[C@H](C)N[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000359566552 167195011 /nfs/dbraw/zinc/19/50/11/167195011.db2.gz WAXVDHWHOYAIDN-ULQDDVLXSA-N 1 3 335.492 3.090 10 0 EGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Cl)cc2F)CC1 ZINC000189010265 278395433 /nfs/dbraw/zinc/39/54/33/278395433.db2.gz FLFBSJIOOQIIQS-CYBMUJFWSA-N 1 3 328.859 3.004 10 0 EGAEHO Cc1ccc2nccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000354577737 281170381 /nfs/dbraw/zinc/17/03/81/281170381.db2.gz XYYGBTBDEXLDHV-PXNSSMCTSA-N 1 3 338.499 3.005 10 0 EGAEHO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(OCCN(C)C)c1 ZINC000247132867 290033448 /nfs/dbraw/zinc/03/34/48/290033448.db2.gz ATPNGKRSWNQNQJ-JEDBISTDSA-N 1 3 332.488 3.091 10 0 EGAEHO c1ccc2c(c1)CCCN2CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000090517663 307460191 /nfs/dbraw/zinc/46/01/91/307460191.db2.gz GPBYUNLVEVZKNJ-UHFFFAOYSA-N 1 3 327.516 3.247 10 0 EGAEHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378861 307973699 /nfs/dbraw/zinc/97/36/99/307973699.db2.gz BLITXHXPZARUEY-IXDOHACOSA-N 1 3 339.524 3.096 10 0 EGAEHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000414523043 309086365 /nfs/dbraw/zinc/08/63/65/309086365.db2.gz HRGZGBKCCKECEU-RTBURBONSA-N 1 3 348.556 3.133 10 0 EGAEHO FC(F)Oc1c(Br)cccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414827118 309104136 /nfs/dbraw/zinc/10/41/36/309104136.db2.gz GOLDCQYAFIEVGN-JTQLQIEISA-N 1 3 349.219 3.140 10 0 EGAEHO CCCc1cc(N2CCN([C@@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000301804465 308716011 /nfs/dbraw/zinc/71/60/11/308716011.db2.gz UVTCPDHXMFCKKP-KRWDZBQOSA-N 1 3 327.472 3.080 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414930377 309109771 /nfs/dbraw/zinc/10/97/71/309109771.db2.gz ASPVKCAODISQOH-FIXISWKDSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414930377 309109770 /nfs/dbraw/zinc/10/97/70/309109770.db2.gz ASPVKCAODISQOH-FIXISWKDSA-N 1 3 329.257 3.107 10 0 EGAEHO Fc1cccc(Cl)c1CN1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC000415071986 309118231 /nfs/dbraw/zinc/11/82/31/309118231.db2.gz UZRSKKDOYOCVPS-HNNXBMFYSA-N 1 3 339.886 3.175 10 0 EGAEHO Fc1cccc(Cl)c1CN1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000415071986 309118232 /nfs/dbraw/zinc/11/82/32/309118232.db2.gz UZRSKKDOYOCVPS-HNNXBMFYSA-N 1 3 339.886 3.175 10 0 EGAEHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415988490 309153182 /nfs/dbraw/zinc/15/31/82/309153182.db2.gz CXARDEQSGWEGFL-HOTGVXAUSA-N 1 3 344.503 3.169 10 0 EGAEHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416021741 309155056 /nfs/dbraw/zinc/15/50/56/309155056.db2.gz YYLKUPPDSHMDBC-CXAGYDPISA-N 1 3 342.443 3.134 10 0 EGAEHO COc1ccc(CCC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422711758 309364534 /nfs/dbraw/zinc/36/45/34/309364534.db2.gz GECJQKMPFFVVKJ-AWEZNQCLSA-N 1 3 343.471 3.149 10 0 EGAEHO Fc1cc(F)cc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839656 309371403 /nfs/dbraw/zinc/37/14/03/309371403.db2.gz ABIVLOGECFKAFM-QUCCMNQESA-N 1 3 344.405 3.353 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422871428 309373088 /nfs/dbraw/zinc/37/30/88/309373088.db2.gz YUUZRAJNDUPBKB-OSGQAZFXSA-N 1 3 349.469 3.444 10 0 EGAEHO Cc1nc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887564 309374324 /nfs/dbraw/zinc/37/43/24/309374324.db2.gz BGJWQZWXRZZGBN-QFBILLFUSA-N 1 3 343.496 3.148 10 0 EGAEHO CC(C)CC[C@](C)(O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973010 309379062 /nfs/dbraw/zinc/37/90/62/309379062.db2.gz AWTHRVZFZJZNQZ-YZGWKJHDSA-N 1 3 332.488 3.019 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000423273763 309393563 /nfs/dbraw/zinc/39/35/63/309393563.db2.gz JIETVGHJNYTDBY-LMNJBCLMSA-N 1 3 329.532 3.189 10 0 EGAEHO C[C@@H]1CC[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400342 309398655 /nfs/dbraw/zinc/39/86/55/309398655.db2.gz VBJDDRMOGVXLAW-KWCYVHTRSA-N 1 3 347.450 3.112 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@@H](CN)C2CCCC2)CC1 ZINC000423495673 309403040 /nfs/dbraw/zinc/40/30/40/309403040.db2.gz CKHKMIZAKXNOLW-UWJYYQICSA-N 1 3 329.532 3.189 10 0 EGAEHO CC[C@H](C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)[NH+](CC)CC ZINC000447722217 309986692 /nfs/dbraw/zinc/98/66/92/309986692.db2.gz IWIBAUJCKSAFIS-IAGOWNOFSA-N 1 3 333.476 3.131 10 0 EGAEHO CC(=O)N1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449059153 310033659 /nfs/dbraw/zinc/03/36/59/310033659.db2.gz ARQHQHISIOPNHM-UHFFFAOYSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(=O)N1CCC([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449059153 310033660 /nfs/dbraw/zinc/03/36/60/310033660.db2.gz ARQHQHISIOPNHM-UHFFFAOYSA-N 1 3 337.552 3.266 10 0 EGAEHO CCN(CC)[C@H](C)C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449075472 310035116 /nfs/dbraw/zinc/03/51/16/310035116.db2.gz RGTMVFDAEBWKQU-RTBURBONSA-N 1 3 331.548 3.402 10 0 EGAEHO COc1ccc(C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449076523 310035140 /nfs/dbraw/zinc/03/51/40/310035140.db2.gz TYBYAGAPOQERAJ-KRWDZBQOSA-N 1 3 339.483 3.275 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CCC[C@H](C)C2)CC1 ZINC000449084875 310035777 /nfs/dbraw/zinc/03/57/77/310035777.db2.gz ZKDAETUJLGYCSG-VQTJNVASSA-N 1 3 343.559 3.404 10 0 EGAEHO CCN(CC)C[C@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449132318 310039213 /nfs/dbraw/zinc/03/92/13/310039213.db2.gz UDCHEQRPIOLXRT-RBUKOAKNSA-N 1 3 331.548 3.402 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H](CC(C)C)CN1CCCC1 ZINC000449382377 310057907 /nfs/dbraw/zinc/05/79/07/310057907.db2.gz CIMAWTAQRYMUHV-IBGZPJMESA-N 1 3 341.503 3.176 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CN[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449382377 310057908 /nfs/dbraw/zinc/05/79/08/310057908.db2.gz CIMAWTAQRYMUHV-IBGZPJMESA-N 1 3 341.503 3.176 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(CC)CC ZINC000469056938 310698720 /nfs/dbraw/zinc/69/87/20/310698720.db2.gz UUXAUBXRCXIAME-OALUTQOASA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)c1ccc(CC[NH2+]Cc2ccnc(OCCN(C)C)c2)cc1 ZINC000470305926 310721080 /nfs/dbraw/zinc/72/10/80/310721080.db2.gz CQJRXWLYODMELM-UHFFFAOYSA-N 1 3 341.499 3.478 10 0 EGAEHO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000538086562 314226300 /nfs/dbraw/zinc/22/63/00/314226300.db2.gz LOQOXUWTVJJWKA-CYBMUJFWSA-N 1 3 335.398 3.320 10 0 EGAEHO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000538086562 314226302 /nfs/dbraw/zinc/22/63/02/314226302.db2.gz LOQOXUWTVJJWKA-CYBMUJFWSA-N 1 3 335.398 3.320 10 0 EGAEHO CN1CCCC[C@H]1CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551738491 315166010 /nfs/dbraw/zinc/16/60/10/315166010.db2.gz JMDSZPHWXOEOPD-INIZCTEOSA-N 1 3 337.458 3.351 10 0 EGAEHO CN1CCCC[C@H]1CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551738491 315166012 /nfs/dbraw/zinc/16/60/12/315166012.db2.gz JMDSZPHWXOEOPD-INIZCTEOSA-N 1 3 337.458 3.351 10 0 EGAEHO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000552040960 315191820 /nfs/dbraw/zinc/19/18/20/315191820.db2.gz PHNTXZQNGJDZEL-GUDVDZBRSA-N 1 3 329.488 3.388 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000569940868 316986922 /nfs/dbraw/zinc/98/69/22/316986922.db2.gz IYBIOPXDJIMBTO-VLWCASSMSA-N 1 3 341.421 3.099 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CCN(C4CC4)C3)CC23CC3)cc1 ZINC000572521333 317351076 /nfs/dbraw/zinc/35/10/76/317351076.db2.gz FMNAKSOQLDEWEL-UXHICEINSA-N 1 3 339.527 3.258 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000573858823 317535696 /nfs/dbraw/zinc/53/56/96/317535696.db2.gz CALDYNRJZOABDU-INIZCTEOSA-N 1 3 339.483 3.047 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575195074 324436617 /nfs/dbraw/zinc/43/66/17/324436617.db2.gz ASSVTGVHCQBHRF-IHETXDGRSA-N 1 3 339.886 3.474 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000579582875 325130471 /nfs/dbraw/zinc/13/04/71/325130471.db2.gz RUTAQRMQNKOFQV-IPQPSQTFSA-N 1 3 346.515 3.155 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000579582875 325130475 /nfs/dbraw/zinc/13/04/75/325130475.db2.gz RUTAQRMQNKOFQV-IPQPSQTFSA-N 1 3 346.515 3.155 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C(C)(C)C)CC2)CC1 ZINC000581379175 325356949 /nfs/dbraw/zinc/35/69/49/325356949.db2.gz FZVMKMIGKMAUCL-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO N[C@@H]1CCCCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000631832432 460576000 /nfs/dbraw/zinc/57/60/00/460576000.db2.gz FVTOQUGHZQMRKP-CYBMUJFWSA-N 1 3 327.831 3.011 10 0 EGAEHO N[C@@H]1CCCCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000631832432 460576003 /nfs/dbraw/zinc/57/60/03/460576003.db2.gz FVTOQUGHZQMRKP-CYBMUJFWSA-N 1 3 327.831 3.011 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507066 460587166 /nfs/dbraw/zinc/58/71/66/460587166.db2.gz WFPHUQSRVJDQQZ-RTBURBONSA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@@H+]1CC[C@@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507066 460587175 /nfs/dbraw/zinc/58/71/75/460587175.db2.gz WFPHUQSRVJDQQZ-RTBURBONSA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@H+]1CC[C@@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507066 460587181 /nfs/dbraw/zinc/58/71/81/460587181.db2.gz WFPHUQSRVJDQQZ-RTBURBONSA-N 1 3 347.572 3.066 10 0 EGAEHO CC[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969736 460598662 /nfs/dbraw/zinc/59/86/62/460598662.db2.gz XQIAYHLBANUFJO-HUUCEWRRSA-N 1 3 346.302 3.053 10 0 EGAEHO CN1CCC(N2CCC([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000130943139 454227139 /nfs/dbraw/zinc/22/71/39/454227139.db2.gz GTNXWZYYLHVYLC-CTNGQTDRSA-N 1 3 341.543 3.471 10 0 EGAEHO Cc1ccc(CN(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000121163521 454400750 /nfs/dbraw/zinc/40/07/50/454400750.db2.gz VNMDDRIVUWBBNI-OAQYLSRUSA-N 1 3 342.483 3.465 10 0 EGAEHO C[C@H]1C[C@@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@@H+]1C ZINC000123187852 454612558 /nfs/dbraw/zinc/61/25/58/454612558.db2.gz GZDHBRTYIICXEY-KBPBESRZSA-N 1 3 334.489 3.145 10 0 EGAEHO C[C@H]1C[C@@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@H+]1C ZINC000123187852 454612563 /nfs/dbraw/zinc/61/25/63/454612563.db2.gz GZDHBRTYIICXEY-KBPBESRZSA-N 1 3 334.489 3.145 10 0 EGAEHO COCCC[NH+]1CCC(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166459571 454911507 /nfs/dbraw/zinc/91/15/07/454911507.db2.gz HYPRKBQKCXHVFL-RXVVDRJESA-N 1 3 346.515 3.245 10 0 EGAEHO CN(C)CCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180007872 455114764 /nfs/dbraw/zinc/11/47/64/455114764.db2.gz UAYIIIQSJLJVKJ-LJQANCHMSA-N 1 3 335.923 3.407 10 0 EGAEHO Cc1ccccc1CN1CCC([NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000247101324 455559687 /nfs/dbraw/zinc/55/96/87/455559687.db2.gz QAVGDYOZBSXUEW-LVCYWYKZSA-N 1 3 329.532 3.278 10 0 EGAEHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385842 455933620 /nfs/dbraw/zinc/93/36/20/455933620.db2.gz GAUWIUIIDBIQSR-AFSNDHJISA-N 1 3 339.527 3.254 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000272766938 456064973 /nfs/dbraw/zinc/06/49/73/456064973.db2.gz MGYBOUOZJFDAGP-IEZWGBDMSA-N 1 3 326.488 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n[nH]1 ZINC000272766938 456064975 /nfs/dbraw/zinc/06/49/75/456064975.db2.gz MGYBOUOZJFDAGP-IEZWGBDMSA-N 1 3 326.488 3.149 10 0 EGAEHO C[C@H](CC[NH2+]Cc1ccccc1-c1ccnn1C)N1CCCCC1 ZINC000352874927 456381707 /nfs/dbraw/zinc/38/17/07/456381707.db2.gz IPPIEWOSEJTWBL-QGZVFWFLSA-N 1 3 326.488 3.441 10 0 EGAEHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450148 456469621 /nfs/dbraw/zinc/46/96/21/456469621.db2.gz GSKPAFLOBGTTKL-TXPKVOOTSA-N 1 3 325.456 3.348 10 0 EGAEHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450148 456469626 /nfs/dbraw/zinc/46/96/26/456469626.db2.gz GSKPAFLOBGTTKL-TXPKVOOTSA-N 1 3 325.456 3.348 10 0 EGAEHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000337986497 456639141 /nfs/dbraw/zinc/63/91/41/456639141.db2.gz DJJDWHIOTHMHRP-LEWJYISDSA-N 1 3 327.516 3.102 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000353754189 456890973 /nfs/dbraw/zinc/89/09/73/456890973.db2.gz YQTSIHVPKBCGOK-PBHICJAKSA-N 1 3 330.501 3.367 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000353754189 456890976 /nfs/dbraw/zinc/89/09/76/456890976.db2.gz YQTSIHVPKBCGOK-PBHICJAKSA-N 1 3 330.501 3.367 10 0 EGAEHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000354177041 457112553 /nfs/dbraw/zinc/11/25/53/457112553.db2.gz GAUWIUIIDBIQSR-NGMPGZOMSA-N 1 3 339.527 3.254 10 0 EGAEHO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000354206419 457130458 /nfs/dbraw/zinc/13/04/58/457130458.db2.gz JVIDJEQSLSWMEH-RLLQIKCJSA-N 1 3 328.500 3.161 10 0 EGAEHO CN1CCC(C[NH2+][C@H]2CCC[C@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517677 457647113 /nfs/dbraw/zinc/64/71/13/457647113.db2.gz DFESLMWSHSBTOJ-OALUTQOASA-N 1 3 339.543 3.445 10 0 EGAEHO COC(=O)[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411214281 457833403 /nfs/dbraw/zinc/83/34/03/457833403.db2.gz FCZJSNPPJDHARP-IBGZPJMESA-N 1 3 330.472 3.058 10 0 EGAEHO Cc1ccc([C@@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000375594925 457983362 /nfs/dbraw/zinc/98/33/62/457983362.db2.gz CFLSQBKYVZKVGZ-OAQYLSRUSA-N 1 3 329.532 3.200 10 0 EGAEHO Cc1ccc([C@@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000375594925 457983366 /nfs/dbraw/zinc/98/33/66/457983366.db2.gz CFLSQBKYVZKVGZ-OAQYLSRUSA-N 1 3 329.532 3.200 10 0 EGAEHO COc1cccc(CC[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000358770624 458206550 /nfs/dbraw/zinc/20/65/50/458206550.db2.gz JKMRPOVHOYBJPD-VQIMIIECSA-N 1 3 331.504 3.265 10 0 EGAEHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000428993559 458249786 /nfs/dbraw/zinc/24/97/86/458249786.db2.gz DGRQBBCBRCSBHN-HXUWFJFHSA-N 1 3 330.472 3.170 10 0 EGAEHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)C1 ZINC000428993559 458249791 /nfs/dbraw/zinc/24/97/91/458249791.db2.gz DGRQBBCBRCSBHN-HXUWFJFHSA-N 1 3 330.472 3.170 10 0 EGAEHO CC[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)[NH+](CC)CC ZINC000447722216 458334080 /nfs/dbraw/zinc/33/40/80/458334080.db2.gz IWIBAUJCKSAFIS-DLBZAZTESA-N 1 3 333.476 3.131 10 0 EGAEHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CC)C2)[C@H]1Sc1ccccc1 ZINC000459385367 458354631 /nfs/dbraw/zinc/35/46/31/458354631.db2.gz HELDBTVUEDBFCG-GDAAHCPNSA-N 1 3 334.529 3.256 10 0 EGAEHO c1cc(CN2C[C@@H]3C[C@H]2CS3)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459789981 458480303 /nfs/dbraw/zinc/48/03/03/458480303.db2.gz GOQIDPNKAKKORQ-XSLAGTTESA-N 1 3 332.538 3.066 10 0 EGAEHO c1cc(CN2C[C@@H]3C[C@H]2CS3)cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459789981 458480305 /nfs/dbraw/zinc/48/03/05/458480305.db2.gz GOQIDPNKAKKORQ-XSLAGTTESA-N 1 3 332.538 3.066 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000431570134 458590629 /nfs/dbraw/zinc/59/06/29/458590629.db2.gz LQQXSFIDHWHSDM-WOJBJXKFSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000431570134 458590637 /nfs/dbraw/zinc/59/06/37/458590637.db2.gz LQQXSFIDHWHSDM-WOJBJXKFSA-N 1 3 343.515 3.204 10 0 EGAEHO CCc1cccc(CC)c1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287441 458603535 /nfs/dbraw/zinc/60/35/35/458603535.db2.gz ITWVOECDZYRHMW-INIZCTEOSA-N 1 3 343.515 3.214 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+]C2CC(OCc3ccccc3)C2)C[C@H](C)O1 ZINC000493977333 458609301 /nfs/dbraw/zinc/60/93/01/458609301.db2.gz NGSIAXWUUXAPCP-FWGXRIOKSA-N 1 3 346.515 3.213 10 0 EGAEHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438991076 458638503 /nfs/dbraw/zinc/63/85/03/458638503.db2.gz LUHSSRANHHFRAX-HNNXBMFYSA-N 1 3 347.503 3.426 10 0 EGAEHO [NH3+]CC1CCC(NCc2ccc(Br)c(F)c2F)CC1 ZINC000530224034 458721743 /nfs/dbraw/zinc/72/17/43/458721743.db2.gz VOXZFMVKNGSGIN-UHFFFAOYSA-N 1 3 333.220 3.334 10 0 EGAEHO C[C@H]1C[C@@H](C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000456706788 458758026 /nfs/dbraw/zinc/75/80/26/458758026.db2.gz JEPIDVJOSCJRKW-IRXDYDNUSA-N 1 3 337.552 3.076 10 0 EGAEHO C[C@H]1C[C@@H](C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000456706788 458758029 /nfs/dbraw/zinc/75/80/29/458758029.db2.gz JEPIDVJOSCJRKW-IRXDYDNUSA-N 1 3 337.552 3.076 10 0 EGAEHO C[C@H]1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533408 458876224 /nfs/dbraw/zinc/87/62/24/458876224.db2.gz YVYPGTDXDAUISB-ICSRJNTNSA-N 1 3 327.516 3.115 10 0 EGAEHO CCC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000519603673 458972866 /nfs/dbraw/zinc/97/28/66/458972866.db2.gz ULZJJZVFWRUOFB-AOIWGVFYSA-N 1 3 331.504 3.059 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983910 459012282 /nfs/dbraw/zinc/01/22/82/459012282.db2.gz MEGHLGRYKDJMSX-SJORKVTESA-N 1 3 331.504 3.459 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983910 459012290 /nfs/dbraw/zinc/01/22/90/459012290.db2.gz MEGHLGRYKDJMSX-SJORKVTESA-N 1 3 331.504 3.459 10 0 EGAEHO CNCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578049451 459138530 /nfs/dbraw/zinc/13/85/30/459138530.db2.gz CWAOEGCQSIOBGI-SFHVURJKSA-N 1 3 344.503 3.325 10 0 EGAEHO CNCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000578049451 459138537 /nfs/dbraw/zinc/13/85/37/459138537.db2.gz CWAOEGCQSIOBGI-SFHVURJKSA-N 1 3 344.503 3.325 10 0 EGAEHO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000480620646 459208875 /nfs/dbraw/zinc/20/88/75/459208875.db2.gz VRIJXXJQENJMHO-SFHLNBCPSA-N 1 3 329.532 3.219 10 0 EGAEHO c1n[nH]c2c1CC[C@H]([NH2+][C@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000568510322 459300840 /nfs/dbraw/zinc/30/08/40/459300840.db2.gz HYWFJEBCNLEFOY-OALUTQOASA-N 1 3 336.483 3.054 10 0 EGAEHO COc1ccccc1/C=C\C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000525484639 459459843 /nfs/dbraw/zinc/45/98/43/459459843.db2.gz HCGODQIGMSFPNM-BEPFOMCCSA-N 1 3 332.488 3.187 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000543395415 459652629 /nfs/dbraw/zinc/65/26/29/459652629.db2.gz ZGSFKJDIYOWLQE-UHFFFAOYSA-N 1 3 341.503 3.128 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000543395415 459652637 /nfs/dbraw/zinc/65/26/37/459652637.db2.gz ZGSFKJDIYOWLQE-UHFFFAOYSA-N 1 3 341.503 3.128 10 0 EGAEHO NC[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000584230629 459686744 /nfs/dbraw/zinc/68/67/44/459686744.db2.gz PAUHGMJEYHAVPO-IBGZPJMESA-N 1 3 341.430 3.103 10 0 EGAEHO NC[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000584230630 459686981 /nfs/dbraw/zinc/68/69/81/459686981.db2.gz PAUHGMJEYHAVPO-LJQANCHMSA-N 1 3 341.430 3.103 10 0 EGAEHO COC(=O)c1ccc(CNCCCCC[NH+]2CCCC2)cc1Cl ZINC000597134892 459848405 /nfs/dbraw/zinc/84/84/05/459848405.db2.gz FCCQNTUXOJPPPZ-UHFFFAOYSA-N 1 3 338.879 3.482 10 0 EGAEHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000575935760 460038016 /nfs/dbraw/zinc/03/80/16/460038016.db2.gz CSMRQIIRRUQDFU-IBGZPJMESA-N 1 3 332.488 3.066 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000576532240 460162990 /nfs/dbraw/zinc/16/29/90/460162990.db2.gz GTURLIRXDFKLTO-INIZCTEOSA-N 1 3 326.431 3.458 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000576532240 460162995 /nfs/dbraw/zinc/16/29/95/460162995.db2.gz GTURLIRXDFKLTO-INIZCTEOSA-N 1 3 326.431 3.458 10 0 EGAEHO CCOC(=O)c1cccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000600124051 460393036 /nfs/dbraw/zinc/39/30/36/460393036.db2.gz NWWAYZAAJZCVIX-IRXDYDNUSA-N 1 3 347.503 3.106 10 0 EGAEHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337411 460496595 /nfs/dbraw/zinc/49/65/95/460496595.db2.gz JBZZKNURCOIHQE-MJGOQNOKSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337411 460496598 /nfs/dbraw/zinc/49/65/98/460496598.db2.gz JBZZKNURCOIHQE-MJGOQNOKSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N1CCCC1 ZINC000623337411 460496606 /nfs/dbraw/zinc/49/66/06/460496606.db2.gz JBZZKNURCOIHQE-MJGOQNOKSA-N 1 3 345.531 3.295 10 0 EGAEHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCOCCC[NH3+] ZINC000629536162 460799943 /nfs/dbraw/zinc/79/99/43/460799943.db2.gz FXTYJUXPGBLZFP-LBPRGKRZSA-N 1 3 337.464 3.274 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(C)(C)CC)CC2)CC1 ZINC000617568703 460912872 /nfs/dbraw/zinc/91/28/72/460912872.db2.gz IVIKTUBMEIGWIC-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@]1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCCS1 ZINC000628224902 461054595 /nfs/dbraw/zinc/05/45/95/461054595.db2.gz FLIOVRFHSLPWTA-LJQANCHMSA-N 1 3 334.529 3.019 10 0 EGAEHO COc1cc(C)c(CN(C)Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000662248628 461142845 /nfs/dbraw/zinc/14/28/45/461142845.db2.gz ICVSYBVVTJGLHG-UHFFFAOYSA-N 1 3 340.467 3.290 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCSc2ccc(F)cc2)C1 ZINC000662282575 461166540 /nfs/dbraw/zinc/16/65/40/461166540.db2.gz CPBYJPKELKHJKL-BPQIPLTHSA-N 1 3 338.492 3.279 10 0 EGAEHO CCc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293247 461170206 /nfs/dbraw/zinc/17/02/06/461170206.db2.gz FAOBRXVMQRLIDT-APWZRJJASA-N 1 3 343.515 3.288 10 0 EGAEHO C[NH+](C)CCC[C@@H]1CN(CC2CCC(C(F)(F)F)CC2)CCO1 ZINC000662324567 461193449 /nfs/dbraw/zinc/19/34/49/461193449.db2.gz YAIQOCQXZJSUFY-UYSNPLJNSA-N 1 3 336.442 3.398 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CS1 ZINC000655710673 461380201 /nfs/dbraw/zinc/38/02/01/461380201.db2.gz CDPDQKWQINUYLS-CRAIPNDOSA-N 1 3 334.529 3.017 10 0 EGAEHO COc1ccc([C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000655803214 461463278 /nfs/dbraw/zinc/46/32/78/461463278.db2.gz NMZMNDGOLVZEON-OXFYSEKESA-N 1 3 325.456 3.109 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000655813526 461469999 /nfs/dbraw/zinc/46/99/99/461469999.db2.gz ZGAHOEAHSZWCCS-VQTJNVASSA-N 1 3 332.488 3.064 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2c3c(nn2C)CCCC3)C1 ZINC000631043422 461495959 /nfs/dbraw/zinc/49/59/59/461495959.db2.gz VQRCRGNZCHTXMS-IAGOWNOFSA-N 1 3 332.536 3.147 10 0 EGAEHO CN1CC[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1(C)C ZINC000631190300 461627645 /nfs/dbraw/zinc/62/76/45/461627645.db2.gz IKMXNVHLSPCJGB-CZUORRHYSA-N 1 3 328.859 3.365 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000663504330 461676575 /nfs/dbraw/zinc/67/65/75/461676575.db2.gz ZRXWGBAXYWKSJD-GXTWGEPZSA-N 1 3 345.409 3.386 10 0 EGAEHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[C@H]1CSc2ccccc2O1 ZINC000647801264 461843911 /nfs/dbraw/zinc/84/39/11/461843911.db2.gz SZTYOCHKHBZSCK-SZMVWBNQSA-N 1 3 342.508 3.478 10 0 EGAEHO CC(C)CC[NH+]1CCC(CNCc2c(C(F)(F)F)cnn2C)CC1 ZINC000657391111 462092885 /nfs/dbraw/zinc/09/28/85/462092885.db2.gz PARGYEVTTIARKM-UHFFFAOYSA-N 1 3 346.441 3.287 10 0 EGAEHO c1cc(O[C@H]2CCOC2)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000667501555 462115946 /nfs/dbraw/zinc/11/59/46/462115946.db2.gz AFFCGFABFYDZCN-NRFANRHFSA-N 1 3 344.499 3.162 10 0 EGAEHO Fc1cc(CNCC2CC[NH+](C3CCOCC3)CC2)cc(F)c1F ZINC000657535531 462170547 /nfs/dbraw/zinc/17/05/47/462170547.db2.gz OKVZGUBDSKTABN-UHFFFAOYSA-N 1 3 342.405 3.085 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(C2CCCC2)s1 ZINC000657573337 462187105 /nfs/dbraw/zinc/18/71/05/462187105.db2.gz JNWAFIIEHCCUES-HNNXBMFYSA-N 1 3 338.565 3.162 10 0 EGAEHO C[C@@H](O)CC[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836144 462210423 /nfs/dbraw/zinc/21/04/23/462210423.db2.gz JJANIRXVGIFYKJ-YLJYHZDGSA-N 1 3 330.516 3.380 10 0 EGAEHO C[C@@H](O)CC[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000664836144 462210427 /nfs/dbraw/zinc/21/04/27/462210427.db2.gz JJANIRXVGIFYKJ-YLJYHZDGSA-N 1 3 330.516 3.380 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753339 462326077 /nfs/dbraw/zinc/32/60/77/462326077.db2.gz NRBNDKMOYBHQLC-DZGCQCFKSA-N 1 3 328.859 3.413 10 0 EGAEHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273207 462378716 /nfs/dbraw/zinc/37/87/16/462378716.db2.gz RQLRFOLUQUJEQE-IRFCIJBXSA-N 1 3 335.451 3.102 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138997 462401894 /nfs/dbraw/zinc/40/18/94/462401894.db2.gz KMEFANKOJBBYEJ-RDTXWAMCSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138997 462401900 /nfs/dbraw/zinc/40/19/00/462401900.db2.gz KMEFANKOJBBYEJ-RDTXWAMCSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138991 462402687 /nfs/dbraw/zinc/40/26/87/462402687.db2.gz KMEFANKOJBBYEJ-KBXCAEBGSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138991 462402692 /nfs/dbraw/zinc/40/26/92/462402692.db2.gz KMEFANKOJBBYEJ-KBXCAEBGSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138890 462403008 /nfs/dbraw/zinc/40/30/08/462403008.db2.gz ORWCPFSGVFJXLW-YOEHRIQHSA-N 1 3 344.421 3.464 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)C1 ZINC000658147283 462407533 /nfs/dbraw/zinc/40/75/33/462407533.db2.gz YGALSKXDZURMDP-RBBKRZOGSA-N 1 3 336.479 3.420 10 0 EGAEHO CN1CCCN(CCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652150255 462451376 /nfs/dbraw/zinc/45/13/76/462451376.db2.gz QKRWMSNSAHHSQR-OAQYLSRUSA-N 1 3 344.547 3.320 10 0 EGAEHO COc1ccccc1-c1cc(CN[C@H](C)C2CC[NH+](C)CC2)on1 ZINC000658357756 462488340 /nfs/dbraw/zinc/48/83/40/462488340.db2.gz RYEALAIWHQDEPZ-CQSZACIVSA-N 1 3 329.444 3.170 10 0 EGAEHO O[C@H]1CCN(C2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000662161584 462533180 /nfs/dbraw/zinc/53/31/80/462533180.db2.gz WAPCMGKPGKSGCS-NRFANRHFSA-N 1 3 336.479 3.307 10 0 EGAEHO CN1CCC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000361719172 536364740 /nfs/dbraw/zinc/36/47/40/536364740.db2.gz SRWUTCIZROESHH-WMZOPIPTSA-N 1 3 343.496 3.020 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC(F)F ZINC000353439803 536897764 /nfs/dbraw/zinc/89/77/64/536897764.db2.gz IXCXNFHJWRFDMM-ZNMIVQPWSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC(F)F ZINC000353439803 536897766 /nfs/dbraw/zinc/89/77/66/536897766.db2.gz IXCXNFHJWRFDMM-ZNMIVQPWSA-N 1 3 340.414 3.259 10 0 EGAEHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1OC(F)F ZINC000353439803 536897768 /nfs/dbraw/zinc/89/77/68/536897768.db2.gz IXCXNFHJWRFDMM-ZNMIVQPWSA-N 1 3 340.414 3.259 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068277 547569099 /nfs/dbraw/zinc/56/90/99/547569099.db2.gz NZPPWCQKUNNNSY-QHAWAJNXSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339068277 547569102 /nfs/dbraw/zinc/56/91/02/547569102.db2.gz NZPPWCQKUNNNSY-QHAWAJNXSA-N 1 3 327.516 3.258 10 0 EGAEHO CCCN1CCC([NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000678774114 549558955 /nfs/dbraw/zinc/55/89/55/549558955.db2.gz DUHBKNDKEFTBJT-OALUTQOASA-N 1 3 337.458 3.174 10 0 EGAEHO CC(C)C[NH+]1CCC(NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000122826634 1293426098 /nfs/dbraw/zinc/42/60/98/1293426098.db2.gz GMPUMQWIANWOOL-KRWDZBQOSA-N 1 3 341.540 3.246 10 0 EGAEHO CC(C)CN1CCC([NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000122826634 1293426106 /nfs/dbraw/zinc/42/61/06/1293426106.db2.gz GMPUMQWIANWOOL-KRWDZBQOSA-N 1 3 341.540 3.246 10 0 EGAEHO CC(C)C[NH+]1CCC(NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000122826874 1293426375 /nfs/dbraw/zinc/42/63/75/1293426375.db2.gz GMPUMQWIANWOOL-QGZVFWFLSA-N 1 3 341.540 3.246 10 0 EGAEHO CC(C)CN1CCC([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000122826874 1293426380 /nfs/dbraw/zinc/42/63/80/1293426380.db2.gz GMPUMQWIANWOOL-QGZVFWFLSA-N 1 3 341.540 3.246 10 0 EGAEHO CN1CCC([NH+]2CCC(NCc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000161414299 1294292339 /nfs/dbraw/zinc/29/23/39/1294292339.db2.gz DQKMDXFSTSZGFL-UHFFFAOYSA-N 1 3 339.886 3.127 10 0 EGAEHO CC(C)OC[C@@H](Cc1ccc(F)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872021004 1296663993 /nfs/dbraw/zinc/66/39/93/1296663993.db2.gz MLURMNPDZHZDTG-PKOBYXMFSA-N 1 3 334.479 3.236 10 0 EGAEHO CC(C)OC[C@@H](Cc1ccc(F)cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000872021004 1296664005 /nfs/dbraw/zinc/66/40/05/1296664005.db2.gz MLURMNPDZHZDTG-PKOBYXMFSA-N 1 3 334.479 3.236 10 0 EGAEHO Cc1cc(C)c(N2CC[C@@H](N(C)CCCCCC[NH3+])C2=O)c(C)c1 ZINC000872155521 1296773908 /nfs/dbraw/zinc/77/39/08/1296773908.db2.gz OGSAXJOAESBEBY-GOSISDBHSA-N 1 3 331.504 3.168 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000305880301 1297063107 /nfs/dbraw/zinc/06/31/07/1297063107.db2.gz UIRBTLCSRJPKEI-FNAHDJPLSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000305880301 1297063124 /nfs/dbraw/zinc/06/31/24/1297063124.db2.gz UIRBTLCSRJPKEI-FNAHDJPLSA-N 1 3 336.479 3.220 10 0 EGAEHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000305880301 1297063141 /nfs/dbraw/zinc/06/31/41/1297063141.db2.gz UIRBTLCSRJPKEI-FNAHDJPLSA-N 1 3 336.479 3.220 10 0 EGAEHO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886631247 1303533485 /nfs/dbraw/zinc/53/34/85/1303533485.db2.gz HZOZEYRRMVUWLL-RQUKQETFSA-N 1 3 330.516 3.426 10 0 EGAEHO COC(=O)c1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)[nH]c1C(C)C ZINC000894307735 1306334350 /nfs/dbraw/zinc/33/43/50/1306334350.db2.gz HYQGOUMRAVPNIQ-VHRNVKJDSA-N 1 3 333.476 3.030 10 0 EGAEHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc2c(cccc2O)s1 ZINC000894766742 1309058744 /nfs/dbraw/zinc/05/87/44/1309058744.db2.gz RJBOGNWCXKOCOE-UHFFFAOYSA-N 1 3 347.528 3.065 10 0 EGAEHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc2c(cccc2O)s1 ZINC000894766742 1309058751 /nfs/dbraw/zinc/05/87/51/1309058751.db2.gz RJBOGNWCXKOCOE-UHFFFAOYSA-N 1 3 347.528 3.065 10 0 EGAEHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)c1OC ZINC000894780080 1309066731 /nfs/dbraw/zinc/06/67/31/1309066731.db2.gz WLQANZCOLQUBAT-OAHLLOKOSA-N 1 3 336.451 3.007 10 0 EGAEHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2CCC3(CC3)CC2)CC1 ZINC000929428009 1328595301 /nfs/dbraw/zinc/59/53/01/1328595301.db2.gz OZNSZFWXEZTQHS-RTBURBONSA-N 1 3 333.564 3.447 10 0 EGAEHO C[N@@H+]1CCC[C@]2(CCN(CCC3(C(=O)OC(C)(C)C)CCC3)C2)C1 ZINC000930575831 1328902392 /nfs/dbraw/zinc/90/23/92/1328902392.db2.gz FSNILJDSHGSKTE-IBGZPJMESA-N 1 3 336.520 3.306 10 0 EGAEHO C[N@H+]1CCC[C@]2(CCN(CCC3(C(=O)OC(C)(C)C)CCC3)C2)C1 ZINC000930575831 1328902394 /nfs/dbraw/zinc/90/23/94/1328902394.db2.gz FSNILJDSHGSKTE-IBGZPJMESA-N 1 3 336.520 3.306 10 0 EGAEHO C[C@@H]1CN(Cc2cncc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000923494738 1322761773 /nfs/dbraw/zinc/76/17/73/1322761773.db2.gz NYBSHUVFLYBXHL-APWZRJJASA-N 1 3 325.456 3.077 10 0 EGAEHO C[C@@H]1CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923502047 1322763403 /nfs/dbraw/zinc/76/34/03/1322763403.db2.gz WQFXIWCEACXSEW-POAQFYNOSA-N 1 3 337.467 3.283 10 0 EGAEHO [NH3+]CCCCCCCN1CCOC[C@@H]1C[C@H]1CNc2ccccc21 ZINC000923548362 1322773451 /nfs/dbraw/zinc/77/34/51/1322773451.db2.gz AJPIFHOKLIVAKJ-ROUUACIJSA-N 1 3 331.504 3.196 10 0 EGAEHO COc1ccccc1[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)N1CCCCC1 ZINC000925481259 1325168431 /nfs/dbraw/zinc/16/84/31/1325168431.db2.gz IUWSLPWSILMPEW-SXLOBPIMSA-N 1 3 343.515 3.082 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000925502187 1325180521 /nfs/dbraw/zinc/18/05/21/1325180521.db2.gz FYRZCUMKJUCFTF-QYZOEREBSA-N 1 3 346.490 3.240 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2)c1 ZINC000925502663 1325180644 /nfs/dbraw/zinc/18/06/44/1325180644.db2.gz GXQVHLFMFLEJCL-IXDOHACOSA-N 1 3 331.504 3.160 10 0 EGAEHO C[C@H](O)C[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)c1ccccc1 ZINC000925551676 1325204964 /nfs/dbraw/zinc/20/49/64/1325204964.db2.gz DSFPYAGRMMSCQV-CZGNIMDHSA-N 1 3 330.516 3.299 10 0 EGAEHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925620805 1325235118 /nfs/dbraw/zinc/23/51/18/1325235118.db2.gz BHEGFOAHRMQGBO-UXHICEINSA-N 1 3 339.483 3.271 10 0 EGAEHO Fc1ccc(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(F)c1F ZINC000925638240 1325242102 /nfs/dbraw/zinc/24/21/02/1325242102.db2.gz YXYZEHSCSBNBGY-GOEBONIOSA-N 1 3 326.406 3.404 10 0 EGAEHO Fc1ccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c(F)c1F ZINC000925638240 1325242112 /nfs/dbraw/zinc/24/21/12/1325242112.db2.gz YXYZEHSCSBNBGY-GOEBONIOSA-N 1 3 326.406 3.404 10 0 EGAEHO c1ccc([C@H]2C[C@H]([NH2+][C@H]3CCNC[C@H]3C3CCCC3)CCO2)nc1 ZINC000925690312 1325261845 /nfs/dbraw/zinc/26/18/45/1325261845.db2.gz UTUNCBYWESPEQA-DOADOZAASA-N 1 3 329.488 3.060 10 0 EGAEHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000925728222 1325272592 /nfs/dbraw/zinc/27/25/92/1325272592.db2.gz JYJVAHQIVSLANC-BRSBDYLESA-N 1 3 330.472 3.004 10 0 EGAEHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)CCCS2 ZINC000925775865 1325295236 /nfs/dbraw/zinc/29/52/36/1325295236.db2.gz HVQWYSZLFSRCHS-DOMZBBRYSA-N 1 3 342.455 3.457 10 0 EGAEHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1cc(F)cc(F)c1 ZINC000925810715 1325310800 /nfs/dbraw/zinc/31/08/00/1325310800.db2.gz XMESLGYOFXYMTR-HNNXBMFYSA-N 1 3 345.437 3.221 10 0 EGAEHO Cc1ccc(NC(=O)C[C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c(C)c1 ZINC000925842862 1325325836 /nfs/dbraw/zinc/32/58/36/1325325836.db2.gz OABQNAQKFWZFOM-ILZDJORESA-N 1 3 329.488 3.142 10 0 EGAEHO N[C@@H]1CCC[C@H]1[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925872983 1325339044 /nfs/dbraw/zinc/33/90/44/1325339044.db2.gz CKUSJXAQCKIAMR-HZPDHXFCSA-N 1 3 342.393 3.249 10 0 EGAEHO CC[C@H](C[C@](C)(O)CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926693777 1327670512 /nfs/dbraw/zinc/67/05/12/1327670512.db2.gz PXILMCZQKMFEFO-WOJBJXKFSA-N 1 3 333.520 3.213 10 0 EGAEHO CC(C)(C)[C@]1(CN)CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000866702970 1330142659 /nfs/dbraw/zinc/14/26/59/1330142659.db2.gz FRTZDMLKNPDFBJ-SFHVURJKSA-N 1 3 337.895 3.366 10 0 EGAEHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000866702970 1330142660 /nfs/dbraw/zinc/14/26/60/1330142660.db2.gz FRTZDMLKNPDFBJ-SFHVURJKSA-N 1 3 337.895 3.366 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001479694745 1392325202 /nfs/dbraw/zinc/32/52/02/1392325202.db2.gz RZCZRNGZAPFXCF-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCC2)CCC1 ZINC001324175177 1387550819 /nfs/dbraw/zinc/55/08/19/1387550819.db2.gz LGXLEMCVNARRKI-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCCC2CCCC2)CC1 ZINC001324251326 1387568889 /nfs/dbraw/zinc/56/88/89/1387568889.db2.gz SRWBSVDNGGILQH-HXUWFJFHSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001324236971 1387564649 /nfs/dbraw/zinc/56/46/49/1387564649.db2.gz RSBMKRBHRPDLMV-WOJBJXKFSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001326512853 1388225469 /nfs/dbraw/zinc/22/54/69/1388225469.db2.gz NGDHYZXPPIFWKZ-FHWLQOOXSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)[C@H](C)c1ccccc1C ZINC001266102698 1377187377 /nfs/dbraw/zinc/18/73/77/1377187377.db2.gz GXNBHUWCTOULHV-QGZVFWFLSA-N 1 3 342.487 3.158 10 0 EGAEHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)[C@H](C)c1ccccc1C ZINC001266102698 1377187381 /nfs/dbraw/zinc/18/73/81/1377187381.db2.gz GXNBHUWCTOULHV-QGZVFWFLSA-N 1 3 342.487 3.158 10 0 EGAEHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246984 1377245448 /nfs/dbraw/zinc/24/54/48/1377245448.db2.gz ZJPLAQMJVUMMKZ-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001266884488 1377399994 /nfs/dbraw/zinc/39/99/94/1377399994.db2.gz PLTDWYRERQMWCT-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001269447481 1377554331 /nfs/dbraw/zinc/55/43/31/1377554331.db2.gz CADIAEDFJDAHKJ-YFPIXMDGSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285862 1378215954 /nfs/dbraw/zinc/21/59/54/1378215954.db2.gz RGDWVKJQZSOIQF-PKOBYXMFSA-N 1 3 346.519 3.091 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001277285862 1378215956 /nfs/dbraw/zinc/21/59/56/1378215956.db2.gz RGDWVKJQZSOIQF-PKOBYXMFSA-N 1 3 346.519 3.091 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001283679528 1379109159 /nfs/dbraw/zinc/10/91/59/1379109159.db2.gz WUYFSQWFIMBWTR-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001329576169 1389162895 /nfs/dbraw/zinc/16/28/95/1389162895.db2.gz YRQYTPOUYHDBKE-FUHWJXTLSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001329576169 1389162901 /nfs/dbraw/zinc/16/29/01/1389162901.db2.gz YRQYTPOUYHDBKE-FUHWJXTLSA-N 1 3 325.541 3.122 10 0 EGAEHO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCCN1CCC(Cc2ccccc2)CC1 ZINC001307901626 1384054401 /nfs/dbraw/zinc/05/44/01/1384054401.db2.gz UNMVMABBBHKJFQ-WIYYLYMNSA-N 1 3 330.516 3.176 10 0 EGAEHO C[C@@H]1CC[C@@H](O)C[N@H+]1CCCN1CCC(Cc2ccccc2)CC1 ZINC001307901626 1384054404 /nfs/dbraw/zinc/05/44/04/1384054404.db2.gz UNMVMABBBHKJFQ-WIYYLYMNSA-N 1 3 330.516 3.176 10 0 EGAEHO CCCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001316598696 1384464578 /nfs/dbraw/zinc/46/45/78/1384464578.db2.gz GNHVMLFOHIZVGO-SFHVURJKSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCCN1CC[C@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001316598696 1384464579 /nfs/dbraw/zinc/46/45/79/1384464579.db2.gz GNHVMLFOHIZVGO-SFHVURJKSA-N 1 3 337.552 3.362 10 0 EGAEHO CC(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001316678914 1384520272 /nfs/dbraw/zinc/52/02/72/1384520272.db2.gz MJXJDUSUCOBHSM-IEBWSBKVSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001316725248 1384545415 /nfs/dbraw/zinc/54/54/15/1384545415.db2.gz YDVKEBXZTXYSID-MNEFBYGVSA-N 1 3 346.519 3.056 10 0 EGAEHO CCCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001316725248 1384545418 /nfs/dbraw/zinc/54/54/18/1384545418.db2.gz YDVKEBXZTXYSID-MNEFBYGVSA-N 1 3 346.519 3.056 10 0 EGAEHO Cc1cc(C[N@@H+](CCCNC(=O)C2(N(C)C)CCC2)C2CC2)cs1 ZINC001316919363 1384689710 /nfs/dbraw/zinc/68/97/10/1384689710.db2.gz NZXRNFDRZVIYEH-UHFFFAOYSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(C[N@H+](CCCNC(=O)C2(N(C)C)CCC2)C2CC2)cs1 ZINC001316919363 1384689715 /nfs/dbraw/zinc/68/97/15/1384689715.db2.gz NZXRNFDRZVIYEH-UHFFFAOYSA-N 1 3 349.544 3.012 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014263 1384778827 /nfs/dbraw/zinc/77/88/27/1384778827.db2.gz SQCPHCIVGPETAJ-UXHICEINSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1)N(C)C ZINC001317119662 1384879020 /nfs/dbraw/zinc/87/90/20/1384879020.db2.gz HFZAUPUOZVYWRN-OTWHNJEPSA-N 1 3 345.531 3.061 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001317148564 1384915668 /nfs/dbraw/zinc/91/56/68/1384915668.db2.gz FGNSUNXQUNEHJV-GOSISDBHSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001317173829 1384943255 /nfs/dbraw/zinc/94/32/55/1384943255.db2.gz QQVNPDWHLVKYPI-ASIGSXEYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1CCC ZINC001317173829 1384943256 /nfs/dbraw/zinc/94/32/56/1384943256.db2.gz QQVNPDWHLVKYPI-ASIGSXEYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317183222 1384958835 /nfs/dbraw/zinc/95/88/35/1384958835.db2.gz NIKRRERGGXWDOZ-PMACEKPBSA-N 1 3 349.563 3.410 10 0 EGAEHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355778 1385102406 /nfs/dbraw/zinc/10/24/06/1385102406.db2.gz MOABEPHNSXPUOV-IAGOWNOFSA-N 1 3 339.568 3.418 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001317397881 1385114021 /nfs/dbraw/zinc/11/40/21/1385114021.db2.gz YIURVGFSEBZCQW-ROUUACIJSA-N 1 3 345.531 3.333 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001317434889 1385138343 /nfs/dbraw/zinc/13/83/43/1385138343.db2.gz NQTPIIQNBFHKIQ-UXHICEINSA-N 1 3 349.563 3.412 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001317434889 1385138346 /nfs/dbraw/zinc/13/83/46/1385138346.db2.gz NQTPIIQNBFHKIQ-UXHICEINSA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)C1 ZINC001317438314 1385140593 /nfs/dbraw/zinc/14/05/93/1385140593.db2.gz YCIPUFZRYFYTDL-UYAOXDASSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC2=CCCCC2)C1 ZINC001317438314 1385140596 /nfs/dbraw/zinc/14/05/96/1385140596.db2.gz YCIPUFZRYFYTDL-UYAOXDASSA-N 1 3 347.547 3.189 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317452013 1385150212 /nfs/dbraw/zinc/15/02/12/1385150212.db2.gz AYYPCUXZPAORIK-RBUKOAKNSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317452013 1385150214 /nfs/dbraw/zinc/15/02/14/1385150214.db2.gz AYYPCUXZPAORIK-RBUKOAKNSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1=CCCCC1 ZINC001317490310 1385190087 /nfs/dbraw/zinc/19/00/87/1385190087.db2.gz YFIMZBGOOHUOFZ-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1=CCCCC1 ZINC001317490310 1385190090 /nfs/dbraw/zinc/19/00/90/1385190090.db2.gz YFIMZBGOOHUOFZ-LJQANCHMSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H](c1ccc(F)cc1)N1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512871 1385225655 /nfs/dbraw/zinc/22/56/55/1385225655.db2.gz QCLKFCKXZFZQEK-APWZRJJASA-N 1 3 349.494 3.199 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524102 1385243276 /nfs/dbraw/zinc/24/32/76/1385243276.db2.gz YCKMOLYLICWPAP-MGBKSAOESA-N 1 3 335.536 3.044 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001317524102 1385243281 /nfs/dbraw/zinc/24/32/81/1385243281.db2.gz YCKMOLYLICWPAP-MGBKSAOESA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774462 1385400722 /nfs/dbraw/zinc/40/07/22/1385400722.db2.gz CZLYGZBJSKKGAC-MSOLQXFVSA-N 1 3 329.488 3.189 10 0 EGAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774462 1385400727 /nfs/dbraw/zinc/40/07/27/1385400727.db2.gz CZLYGZBJSKKGAC-MSOLQXFVSA-N 1 3 329.488 3.189 10 0 EGAEHO CCC/C=C/CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317975602 1385595157 /nfs/dbraw/zinc/59/51/57/1385595157.db2.gz PGFQIVWDUYUCDB-ZBWOGFRMSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C/CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317975602 1385595160 /nfs/dbraw/zinc/59/51/60/1385595160.db2.gz PGFQIVWDUYUCDB-ZBWOGFRMSA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001318406534 1385676593 /nfs/dbraw/zinc/67/65/93/1385676593.db2.gz IKDOETTWXXTVOQ-AWTIPJNISA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2CCC)C1 ZINC001318406534 1385676596 /nfs/dbraw/zinc/67/65/96/1385676596.db2.gz IKDOETTWXXTVOQ-AWTIPJNISA-N 1 3 335.536 3.140 10 0 EGAEHO OC1(C[NH+]2CCCCC2)CCN(CCSc2ccccc2)CC1 ZINC001176879610 1385730134 /nfs/dbraw/zinc/73/01/34/1385730134.db2.gz MFHFYSGPZHWHCM-UHFFFAOYSA-N 1 3 334.529 3.092 10 0 EGAEHO CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001318999842 1385918579 /nfs/dbraw/zinc/91/85/79/1385918579.db2.gz DQXLAXJKMQIIAS-LJQANCHMSA-N 1 3 331.504 3.065 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001319377971 1386091453 /nfs/dbraw/zinc/09/14/53/1386091453.db2.gz RRYHDMRYVOYGAG-QZTJIDSGSA-N 1 3 337.552 3.316 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001319390268 1386100462 /nfs/dbraw/zinc/10/04/62/1386100462.db2.gz YVISZRBPZHPAED-SPCWZHTESA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001698679289 1406326752 /nfs/dbraw/zinc/32/67/52/1406326752.db2.gz LHNZRBHVANIDEO-VQTJNVASSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc2ccccc2s1 ZINC001322274679 1387133688 /nfs/dbraw/zinc/13/36/88/1387133688.db2.gz PTSMVGPAZDWVFB-OAHLLOKOSA-N 1 3 347.528 3.180 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc2ccccc2s1 ZINC001322274679 1387133691 /nfs/dbraw/zinc/13/36/91/1387133691.db2.gz PTSMVGPAZDWVFB-OAHLLOKOSA-N 1 3 347.528 3.180 10 0 EGAEHO C[C@@H]([NH2+]CC1CCCCC1)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001329202969 1389020631 /nfs/dbraw/zinc/02/06/31/1389020631.db2.gz PIPLKXAEZQSVAM-SJORKVTESA-N 1 3 345.531 3.425 10 0 EGAEHO Cc1cnc2ccccc2c1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC001329749517 1389217914 /nfs/dbraw/zinc/21/79/14/1389217914.db2.gz WUCYIHVPCOFWPR-UHFFFAOYSA-N 1 3 325.456 3.092 10 0 EGAEHO CC(C)=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001330466176 1389419931 /nfs/dbraw/zinc/41/99/31/1389419931.db2.gz GXQWJDGGRYAXIA-FHWLQOOXSA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001330466176 1389419935 /nfs/dbraw/zinc/41/99/35/1389419935.db2.gz GXQWJDGGRYAXIA-FHWLQOOXSA-N 1 3 349.563 3.147 10 0 EGAEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC1CCC1 ZINC001331223918 1389660353 /nfs/dbraw/zinc/66/03/53/1389660353.db2.gz LGRRZESJDSHESB-MOPGFXCFSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CN(C)C1CCC1 ZINC001331998404 1389940601 /nfs/dbraw/zinc/94/06/01/1389940601.db2.gz SVPJXJJFTBBADT-SJLPKXTDSA-N 1 3 335.536 3.020 10 0 EGAEHO C[C@@H]1CN(Cc2ccc(C[N@H+](C)Cc3ccccn3)cc2)C[C@H](C)O1 ZINC001351223985 1391613087 /nfs/dbraw/zinc/61/30/87/1391613087.db2.gz MOFRZJKKGGJOIO-HDICACEKSA-N 1 3 339.483 3.323 10 0 EGAEHO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)Cc3ccccn3)cc2)C[C@H](C)O1 ZINC001351223985 1391613088 /nfs/dbraw/zinc/61/30/88/1391613088.db2.gz MOFRZJKKGGJOIO-HDICACEKSA-N 1 3 339.483 3.323 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001479688490 1392320338 /nfs/dbraw/zinc/32/03/38/1392320338.db2.gz RTJHYAQBWXLYHT-XFHJGTJQSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001479823630 1392412998 /nfs/dbraw/zinc/41/29/98/1392412998.db2.gz KRLMTFZDBVHFIL-UCHJRYNZSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829697 1392416333 /nfs/dbraw/zinc/41/63/33/1392416333.db2.gz CPQIZUVCHIYRRP-PKOBYXMFSA-N 1 3 349.563 3.266 10 0 EGAEHO Cc1ccc(CN2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001479913142 1392480613 /nfs/dbraw/zinc/48/06/13/1392480613.db2.gz PMKISBHJLHPLDV-HXUWFJFHSA-N 1 3 345.531 3.116 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001479984372 1392516875 /nfs/dbraw/zinc/51/68/75/1392516875.db2.gz BCASLODZGNEBOM-DVBCCOPCSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC001480366537 1392709715 /nfs/dbraw/zinc/70/97/15/1392709715.db2.gz ALZSCVRSRSVSFK-MOPGFXCFSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480703111 1392866623 /nfs/dbraw/zinc/86/66/23/1392866623.db2.gz WDMCWUHYEQNZKU-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001480830434 1392970448 /nfs/dbraw/zinc/97/04/48/1392970448.db2.gz VZUIVTMSRJZMET-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001480830434 1392970451 /nfs/dbraw/zinc/97/04/51/1392970451.db2.gz VZUIVTMSRJZMET-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001481406034 1394259814 /nfs/dbraw/zinc/25/98/14/1394259814.db2.gz OEYQHNAUDOXILX-HXUWFJFHSA-N 1 3 345.531 3.068 10 0 EGAEHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481960270 1394620923 /nfs/dbraw/zinc/62/09/23/1394620923.db2.gz GILWWRQUWFBRIQ-RXVVDRJESA-N 1 3 349.563 3.483 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCC1 ZINC001482447138 1395006078 /nfs/dbraw/zinc/00/60/78/1395006078.db2.gz ZZQSEDRZMWUONR-MOPGFXCFSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001482481647 1395035594 /nfs/dbraw/zinc/03/55/94/1395035594.db2.gz PAGSKPWYZCTBLK-ZWKOTPCHSA-N 1 3 339.568 3.371 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC001484132448 1395271763 /nfs/dbraw/zinc/27/17/63/1395271763.db2.gz RVGMWAUKTABJKY-DKFQHHCZSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082150 1395651524 /nfs/dbraw/zinc/65/15/24/1395651524.db2.gz MLXGTZPQNHOEIZ-GLCUZYPYSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082150 1395651528 /nfs/dbraw/zinc/65/15/28/1395651528.db2.gz MLXGTZPQNHOEIZ-GLCUZYPYSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC(C)(C)C ZINC001485357699 1395832457 /nfs/dbraw/zinc/83/24/57/1395832457.db2.gz LIKWQANXDWUZJX-SJORKVTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001485357699 1395832461 /nfs/dbraw/zinc/83/24/61/1395832461.db2.gz LIKWQANXDWUZJX-SJORKVTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001485582621 1396059121 /nfs/dbraw/zinc/05/91/21/1396059121.db2.gz RYQRKZUZSKRTOE-RTBURBONSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001485582621 1396059126 /nfs/dbraw/zinc/05/91/26/1396059126.db2.gz RYQRKZUZSKRTOE-RTBURBONSA-N 1 3 349.563 3.290 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001491966456 1396301568 /nfs/dbraw/zinc/30/15/68/1396301568.db2.gz ZFUPOBTZXWTETL-UXHICEINSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001491966456 1396301569 /nfs/dbraw/zinc/30/15/69/1396301569.db2.gz ZFUPOBTZXWTETL-UXHICEINSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001492130134 1396306634 /nfs/dbraw/zinc/30/66/34/1396306634.db2.gz YFIUNUHCIGLBAA-MRXNPFEDSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)[C@H](C(=O)NCCN(C)[C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877991 1396327790 /nfs/dbraw/zinc/32/77/90/1396327790.db2.gz FHGQPUVMRWZXOW-VQIMIIECSA-N 1 3 349.494 3.055 10 0 EGAEHO CCC(CC)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494081739 1396356568 /nfs/dbraw/zinc/35/65/68/1396356568.db2.gz BZMLKLSSZYPCOO-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC(CC)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001494081739 1396356571 /nfs/dbraw/zinc/35/65/71/1396356571.db2.gz BZMLKLSSZYPCOO-MOPGFXCFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1)N(C)C ZINC001496407490 1396694271 /nfs/dbraw/zinc/69/42/71/1396694271.db2.gz VHONSQNLKJXIGX-RTBURBONSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCCCC1 ZINC001497278440 1396744270 /nfs/dbraw/zinc/74/42/70/1396744270.db2.gz WMBCHWDVOZCEJI-HKUYNNGSSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001699017254 1406850482 /nfs/dbraw/zinc/85/04/82/1406850482.db2.gz MQDRIAVLTCQFFE-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001699017254 1406850485 /nfs/dbraw/zinc/85/04/85/1406850485.db2.gz MQDRIAVLTCQFFE-UXHICEINSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170849 1404368511 /nfs/dbraw/zinc/36/85/11/1404368511.db2.gz BRBSEGCUXNKQMY-OALUTQOASA-N 1 3 349.563 3.170 10 0 EGAEHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001690215678 1404424707 /nfs/dbraw/zinc/42/47/07/1404424707.db2.gz ZGPCVAZMJGIJDM-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690318184 1404474882 /nfs/dbraw/zinc/47/48/82/1404474882.db2.gz QAQLIGRBMQGXGX-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690318184 1404474885 /nfs/dbraw/zinc/47/48/85/1404474885.db2.gz QAQLIGRBMQGXGX-UXHICEINSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788981 1404736180 /nfs/dbraw/zinc/73/61/80/1404736180.db2.gz YEBYAYRLYBFFLU-OALUTQOASA-N 1 3 335.536 3.234 10 0 EGAEHO CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001690820156 1404755943 /nfs/dbraw/zinc/75/59/43/1404755943.db2.gz BOLAGSPWPTWKFU-OALUTQOASA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001690820156 1404755948 /nfs/dbraw/zinc/75/59/48/1404755948.db2.gz BOLAGSPWPTWKFU-OALUTQOASA-N 1 3 337.552 3.362 10 0 EGAEHO CCc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001690881120 1404794394 /nfs/dbraw/zinc/79/43/94/1404794394.db2.gz JYJJCOJHCQKJQV-YLJYHZDGSA-N 1 3 345.531 3.108 10 0 EGAEHO CC(C)c1ccc(CN(C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001690998180 1404913940 /nfs/dbraw/zinc/91/39/40/1404913940.db2.gz FWBGUIQZGGBVHT-ROUUACIJSA-N 1 3 345.531 3.231 10 0 EGAEHO CCCC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001691792387 1405501841 /nfs/dbraw/zinc/50/18/41/1405501841.db2.gz NHVQTIHJXHZWIM-SFHVURJKSA-N 1 3 331.504 3.108 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001731416229 1427386507 /nfs/dbraw/zinc/38/65/07/1427386507.db2.gz KJCUOYALJFBPDJ-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001731416229 1427386511 /nfs/dbraw/zinc/38/65/11/1427386511.db2.gz KJCUOYALJFBPDJ-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001692128158 1405787000 /nfs/dbraw/zinc/78/70/00/1405787000.db2.gz HDHUFAHMYQFNOD-PKOBYXMFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1)N1CCCC1 ZINC001732021333 1428239055 /nfs/dbraw/zinc/23/90/55/1428239055.db2.gz FIGLLWSJGSDXFL-IBGZPJMESA-N 1 3 343.515 3.108 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001732367589 1428550825 /nfs/dbraw/zinc/55/08/25/1428550825.db2.gz WNXUGVHNRQOVLL-PKOBYXMFSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C(C)(C)N1CCCC1 ZINC001732467421 1428597029 /nfs/dbraw/zinc/59/70/29/1428597029.db2.gz XJHKXSAEEXUMHH-IBGZPJMESA-N 1 3 345.531 3.182 10 0 EGAEHO CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001732497820 1428619609 /nfs/dbraw/zinc/61/96/09/1428619609.db2.gz FKUCBVPTONRJQJ-PXNSSMCTSA-N 1 3 345.531 3.379 10 0 EGAEHO CCc1ccc(CN(C)C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001699455082 1412799201 /nfs/dbraw/zinc/79/92/01/1412799201.db2.gz QDFQYRBTZNFPMR-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccc(CN(C)C[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001699455082 1412799207 /nfs/dbraw/zinc/79/92/07/1412799207.db2.gz QDFQYRBTZNFPMR-FXAWDEMLSA-N 1 3 345.531 3.060 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507813 1412896642 /nfs/dbraw/zinc/89/66/42/1412896642.db2.gz JMIXCGDCKODEBM-MOPGFXCFSA-N 1 3 349.563 3.316 10 0 EGAEHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805151 1413217950 /nfs/dbraw/zinc/21/79/50/1413217950.db2.gz MTBSMKHXTRAINC-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805151 1413217953 /nfs/dbraw/zinc/21/79/53/1413217953.db2.gz MTBSMKHXTRAINC-HXUWFJFHSA-N 1 3 337.552 3.079 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCCCC2)C3)CCC1 ZINC001699928477 1413368647 /nfs/dbraw/zinc/36/86/47/1413368647.db2.gz UECLYXAPEOHDPU-FHWLQOOXSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CCCCC2)C3)CCC1 ZINC001699928477 1413368648 /nfs/dbraw/zinc/36/86/48/1413368648.db2.gz UECLYXAPEOHDPU-FHWLQOOXSA-N 1 3 347.547 3.020 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001700124964 1413540770 /nfs/dbraw/zinc/54/07/70/1413540770.db2.gz JSGDFNWEKXHOKD-YSKLNCTFSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199723 1413643366 /nfs/dbraw/zinc/64/33/66/1413643366.db2.gz ZCNGJDFIXRKWRN-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199723 1413643370 /nfs/dbraw/zinc/64/33/70/1413643370.db2.gz ZCNGJDFIXRKWRN-OALUTQOASA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557894 1428746385 /nfs/dbraw/zinc/74/63/85/1428746385.db2.gz HTSRRDXTWLWGEW-RBUKOAKNSA-N 1 3 335.536 3.092 10 0 EGAEHO CC1([NH2+]CCC2CCCCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001700289208 1413738241 /nfs/dbraw/zinc/73/82/41/1413738241.db2.gz CBUUAOBKIROMLP-UHFFFAOYSA-N 1 3 335.536 3.023 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2)[C@H](C)C1 ZINC001700324071 1413792926 /nfs/dbraw/zinc/79/29/26/1413792926.db2.gz RMRLHQBZUJBXIW-NCJCTJFTSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)[C@H](C)C1 ZINC001700324071 1413792928 /nfs/dbraw/zinc/79/29/28/1413792928.db2.gz RMRLHQBZUJBXIW-NCJCTJFTSA-N 1 3 343.515 3.009 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700521563 1414177479 /nfs/dbraw/zinc/17/74/79/1414177479.db2.gz PPPAVACESSHUOD-QZTJIDSGSA-N 1 3 349.563 3.458 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001700578206 1414255142 /nfs/dbraw/zinc/25/51/42/1414255142.db2.gz NAGFROSMGMIQQR-LJQANCHMSA-N 1 3 345.531 3.054 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)CC1(C)C ZINC001700578206 1414255143 /nfs/dbraw/zinc/25/51/43/1414255143.db2.gz NAGFROSMGMIQQR-LJQANCHMSA-N 1 3 345.531 3.054 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001700645477 1414310246 /nfs/dbraw/zinc/31/02/46/1414310246.db2.gz HNKDKTUGTPTOIM-BMOGMMAESA-N 1 3 347.547 3.234 10 0 EGAEHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001700875654 1414530262 /nfs/dbraw/zinc/53/02/62/1414530262.db2.gz SZPWYUWPFDVKIS-XUVXKRRUSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001700925515 1414578582 /nfs/dbraw/zinc/57/85/82/1414578582.db2.gz BSVOPOKOLVFROT-LJQANCHMSA-N 1 3 343.515 3.155 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001701047934 1414704690 /nfs/dbraw/zinc/70/46/90/1414704690.db2.gz RFLHAEYESXSQPB-LJQANCHMSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001701047934 1414704696 /nfs/dbraw/zinc/70/46/96/1414704696.db2.gz RFLHAEYESXSQPB-LJQANCHMSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001733014004 1429133764 /nfs/dbraw/zinc/13/37/64/1429133764.db2.gz VDHDSLOQXLZKLC-GBOJCQPWSA-N 1 3 343.515 3.057 10 0 EGAEHO C[C@H](c1ccccc1)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001707481907 1417377890 /nfs/dbraw/zinc/37/78/90/1417377890.db2.gz XBVPHWKDSHVRPM-QGZVFWFLSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@H](c1ccccc1)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001707481907 1417377892 /nfs/dbraw/zinc/37/78/92/1417377892.db2.gz XBVPHWKDSHVRPM-QGZVFWFLSA-N 1 3 343.515 3.203 10 0 EGAEHO CCC/C=C\CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713143955 1417726297 /nfs/dbraw/zinc/72/62/97/1417726297.db2.gz QHRDPRBGLOODQD-GGJLBNBESA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)N1CCCCC1 ZINC001713191450 1417764536 /nfs/dbraw/zinc/76/45/36/1417764536.db2.gz CRSORNNHFJUZNK-KDURUIRLSA-N 1 3 349.563 3.458 10 0 EGAEHO CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001713233384 1417819713 /nfs/dbraw/zinc/81/97/13/1417819713.db2.gz QKQFKEUMBNTQES-MJRGOJFPSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713240275 1417826337 /nfs/dbraw/zinc/82/63/37/1417826337.db2.gz GHGSIYRAOQJPHC-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381384 1417991939 /nfs/dbraw/zinc/99/19/39/1417991939.db2.gz IXKFHOOJSXCRQC-OALUTQOASA-N 1 3 349.494 3.013 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001713400726 1418022503 /nfs/dbraw/zinc/02/25/03/1418022503.db2.gz KAIXQVCPQSZRJI-LPHOPBHVSA-N 1 3 349.494 3.150 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001713400726 1418022504 /nfs/dbraw/zinc/02/25/04/1418022504.db2.gz KAIXQVCPQSZRJI-LPHOPBHVSA-N 1 3 349.494 3.150 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001713438694 1418071893 /nfs/dbraw/zinc/07/18/93/1418071893.db2.gz IKLKKIZYWKLFTQ-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001713438694 1418071895 /nfs/dbraw/zinc/07/18/95/1418071895.db2.gz IKLKKIZYWKLFTQ-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001713473287 1418147595 /nfs/dbraw/zinc/14/75/95/1418147595.db2.gz SXDCLMNTDXEPSK-ZWKOTPCHSA-N 1 3 345.531 3.261 10 0 EGAEHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001713473287 1418147598 /nfs/dbraw/zinc/14/75/98/1418147598.db2.gz SXDCLMNTDXEPSK-ZWKOTPCHSA-N 1 3 345.531 3.261 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001713535039 1418287676 /nfs/dbraw/zinc/28/76/76/1418287676.db2.gz YUBLKXCIMXLYBE-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001713535039 1418287678 /nfs/dbraw/zinc/28/76/78/1418287678.db2.gz YUBLKXCIMXLYBE-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001713684029 1418436928 /nfs/dbraw/zinc/43/69/28/1418436928.db2.gz GSTJXNCJXAEXBZ-YKMDAGRBSA-N 1 3 349.563 3.434 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001713775001 1418591195 /nfs/dbraw/zinc/59/11/95/1418591195.db2.gz ANCPBFXQCJAAOH-UHFFFAOYSA-N 1 3 346.519 3.202 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001713775001 1418591200 /nfs/dbraw/zinc/59/12/00/1418591200.db2.gz ANCPBFXQCJAAOH-UHFFFAOYSA-N 1 3 346.519 3.202 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001713789091 1418606190 /nfs/dbraw/zinc/60/61/90/1418606190.db2.gz LVHHJYYSUJWHMK-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001713789091 1418606192 /nfs/dbraw/zinc/60/61/92/1418606192.db2.gz LVHHJYYSUJWHMK-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C/CCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792446 1418610989 /nfs/dbraw/zinc/61/09/89/1418610989.db2.gz UENRHNCUKVTCMU-ASIGSXEYSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714065788 1418862422 /nfs/dbraw/zinc/86/24/22/1418862422.db2.gz KDHOQYMGILUMAW-UEKDZROGSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150062 1418955818 /nfs/dbraw/zinc/95/58/18/1418955818.db2.gz JILVXXHINRTJNL-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001714150062 1418955820 /nfs/dbraw/zinc/95/58/20/1418955820.db2.gz JILVXXHINRTJNL-IAGOWNOFSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001714187093 1418994180 /nfs/dbraw/zinc/99/41/80/1418994180.db2.gz GSGFEENEZYCFTD-LKFCSYKXSA-N 1 3 335.536 3.233 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC(C)C)CC1 ZINC001714190173 1418997282 /nfs/dbraw/zinc/99/72/82/1418997282.db2.gz KUCLMBZBPGQARP-CTWPCTMYSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001714455161 1419187715 /nfs/dbraw/zinc/18/77/15/1419187715.db2.gz VJMGHRMNJMPYFC-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001714455161 1419187716 /nfs/dbraw/zinc/18/77/16/1419187716.db2.gz VJMGHRMNJMPYFC-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001714472790 1419197897 /nfs/dbraw/zinc/19/78/97/1419197897.db2.gz JZHVZNKZDNMEGF-QZTJIDSGSA-N 1 3 345.531 3.333 10 0 EGAEHO CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001714492957 1419216466 /nfs/dbraw/zinc/21/64/66/1419216466.db2.gz BGQBFTNYQICYGR-QWNKOJSDSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571402 1419303619 /nfs/dbraw/zinc/30/36/19/1419303619.db2.gz CPNMVAYACRMPAC-LPHOPBHVSA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)[C@@H](C(=O)NCCN(C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001714572279 1419306046 /nfs/dbraw/zinc/30/60/46/1419306046.db2.gz NCKFPAMDYAKOOP-IBGZPJMESA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001714976351 1419710688 /nfs/dbraw/zinc/71/06/88/1419710688.db2.gz MKJSAJFYTHCENO-UXHICEINSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001715007777 1419737106 /nfs/dbraw/zinc/73/71/06/1419737106.db2.gz CWVVTWKQJDLDLV-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077158 1419811717 /nfs/dbraw/zinc/81/17/17/1419811717.db2.gz YOKYYTDNSHBAFZ-RTBURBONSA-N 1 3 349.563 3.314 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)CCC1 ZINC001715181736 1419915629 /nfs/dbraw/zinc/91/56/29/1419915629.db2.gz FUORXPSGEXCJSA-WGSAOQKQSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1)N1CCCCC1 ZINC001715208875 1419942572 /nfs/dbraw/zinc/94/25/72/1419942572.db2.gz NCJHISBBUTZJBY-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1)CC(C)(C)C ZINC001715210325 1419943086 /nfs/dbraw/zinc/94/30/86/1419943086.db2.gz MPESOWNSMMQPSM-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001715306743 1420015413 /nfs/dbraw/zinc/01/54/13/1420015413.db2.gz FMNBJELASBQEJH-SFHVURJKSA-N 1 3 337.552 3.458 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715413808 1420108931 /nfs/dbraw/zinc/10/89/31/1420108931.db2.gz JGKDMQCAMUMNSK-HKUYNNGSSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441181 1420126543 /nfs/dbraw/zinc/12/65/43/1420126543.db2.gz YAVKWOVFVQDZTR-AZUAARDMSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001715463933 1420143226 /nfs/dbraw/zinc/14/32/26/1420143226.db2.gz IIVXJIMRNQOEOH-QZTJIDSGSA-N 1 3 337.552 3.147 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001715710347 1420305460 /nfs/dbraw/zinc/30/54/60/1420305460.db2.gz BCQPVXPTWJLCOW-QUCCMNQESA-N 1 3 345.531 3.162 10 0 EGAEHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001715855032 1420368522 /nfs/dbraw/zinc/36/85/22/1420368522.db2.gz YLXOEQBFEGWLTG-BKBBAENRSA-N 1 3 349.563 3.195 10 0 EGAEHO CCc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCCN2CC)cc1 ZINC001716587378 1420769296 /nfs/dbraw/zinc/76/92/96/1420769296.db2.gz ZHMJZOHFGAVBLB-FQEVSTJZSA-N 1 3 345.531 3.062 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001716632191 1420791082 /nfs/dbraw/zinc/79/10/82/1420791082.db2.gz WMOCRALSBNRVOJ-FXAWDEMLSA-N 1 3 345.531 3.189 10 0 EGAEHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001716634695 1420792619 /nfs/dbraw/zinc/79/26/19/1420792619.db2.gz FEFZGGJZBRVVTE-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001716683054 1420836918 /nfs/dbraw/zinc/83/69/18/1420836918.db2.gz RDOMKSLLXQFECO-PKOBYXMFSA-N 1 3 343.515 3.169 10 0 EGAEHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001717123236 1421125949 /nfs/dbraw/zinc/12/59/49/1421125949.db2.gz QOODXDAXLJNPIP-IHPCNDPISA-N 1 3 349.563 3.173 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001717128726 1421129737 /nfs/dbraw/zinc/12/97/37/1421129737.db2.gz KPLSQIUCESTOCX-BQYQJAHWSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001717239893 1421207967 /nfs/dbraw/zinc/20/79/67/1421207967.db2.gz BTZDFLYMYSEQOK-INIZCTEOSA-N 1 3 343.531 3.073 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC001717336888 1421273890 /nfs/dbraw/zinc/27/38/90/1421273890.db2.gz TYDZVSZHVGHRQT-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC001717336888 1421273893 /nfs/dbraw/zinc/27/38/93/1421273893.db2.gz TYDZVSZHVGHRQT-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744406 1421607918 /nfs/dbraw/zinc/60/79/18/1421607918.db2.gz AQPWTDGJMWQQJM-VQIMIIECSA-N 1 3 349.494 3.025 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758682 1421621347 /nfs/dbraw/zinc/62/13/47/1421621347.db2.gz ZNLWCXHXWKPSBZ-UYAOXDASSA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758681 1421621561 /nfs/dbraw/zinc/62/15/61/1421621561.db2.gz ZNLWCXHXWKPSBZ-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC001733457700 1429677689 /nfs/dbraw/zinc/67/76/89/1429677689.db2.gz AOQLUQOKIOWCBY-QUCCMNQESA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)C)C1 ZINC001733457700 1429677691 /nfs/dbraw/zinc/67/76/91/1429677691.db2.gz AOQLUQOKIOWCBY-QUCCMNQESA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001724532035 1424896366 /nfs/dbraw/zinc/89/63/66/1424896366.db2.gz MYBDZYLLXOPAKK-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001724849730 1425210464 /nfs/dbraw/zinc/21/04/64/1425210464.db2.gz XXDAARSWOLDPIE-SFHVURJKSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001724849730 1425210472 /nfs/dbraw/zinc/21/04/72/1425210472.db2.gz XXDAARSWOLDPIE-SFHVURJKSA-N 1 3 339.568 3.371 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001724882400 1425263712 /nfs/dbraw/zinc/26/37/12/1425263712.db2.gz BDIYVDGSUMSCFJ-LPADLIQXSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC1([NH2+]CCCC(C)(C)C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001724884052 1425265786 /nfs/dbraw/zinc/26/57/86/1425265786.db2.gz SHCFFNYJJUZPHR-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC2CCCCCC2)CC1 ZINC001724962645 1425352141 /nfs/dbraw/zinc/35/21/41/1425352141.db2.gz VEQWNSTXGWTXOF-UHFFFAOYSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001725105615 1425555294 /nfs/dbraw/zinc/55/52/94/1425555294.db2.gz GTRBNMREJPSGEU-CVEARBPZSA-N 1 3 337.552 3.027 10 0 EGAEHO CCC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC001725229352 1425800109 /nfs/dbraw/zinc/80/01/09/1425800109.db2.gz PRAGCMASCVFYAH-UHFFFAOYSA-N 1 3 331.504 3.181 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC2(C[NH2+]CCCF)CCCCC2)c1 ZINC001725229674 1425800991 /nfs/dbraw/zinc/80/09/91/1425800991.db2.gz RQKIFKIVUKSEBR-UHFFFAOYSA-N 1 3 349.494 3.130 10 0 EGAEHO CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001725250988 1425871173 /nfs/dbraw/zinc/87/11/73/1425871173.db2.gz YJFJGUNRGDPQKW-JKLVOYIESA-N 1 3 335.536 3.042 10 0 EGAEHO C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588762 1426244199 /nfs/dbraw/zinc/24/41/99/1426244199.db2.gz JIYYRFLQQVGNKD-AEFFLSMTSA-N 1 3 349.544 3.093 10 0 EGAEHO CN(CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1)CC(C)(C)C ZINC001725795211 1426480228 /nfs/dbraw/zinc/48/02/28/1426480228.db2.gz UKQOUYNGJVIEGI-UHFFFAOYSA-N 1 3 349.563 3.125 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](CCCC(C)(C)C)CC2)CCC1 ZINC001725818114 1426494789 /nfs/dbraw/zinc/49/47/89/1426494789.db2.gz SPGABKMPHNVFKY-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CCCC(C)(C)C)CC2)CCC1 ZINC001725818114 1426494792 /nfs/dbraw/zinc/49/47/92/1426494792.db2.gz SPGABKMPHNVFKY-UHFFFAOYSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001731298789 1427241351 /nfs/dbraw/zinc/24/13/51/1427241351.db2.gz ZNPPBYFHHUBCSM-UYAOXDASSA-N 1 3 345.531 3.194 10 0 EGAEHO CCCCCC[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001731528383 1427518228 /nfs/dbraw/zinc/51/82/28/1427518228.db2.gz ZQGXTMXHGFAPOK-LJQANCHMSA-N 1 3 337.552 3.127 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847915 1428073790 /nfs/dbraw/zinc/07/37/90/1428073790.db2.gz UZOYEGKITIAJAS-XFHJGTJQSA-N 1 3 335.536 3.045 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731847915 1428073792 /nfs/dbraw/zinc/07/37/92/1428073792.db2.gz UZOYEGKITIAJAS-XFHJGTJQSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668122 1429862091 /nfs/dbraw/zinc/86/20/91/1429862091.db2.gz SKFAOFFXGNMGMX-QUCCMNQESA-N 1 3 347.547 3.047 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716386 1429935422 /nfs/dbraw/zinc/93/54/22/1429935422.db2.gz SXDJNYMMXRATLP-QGZVFWFLSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCC1)N1CCCCCC1 ZINC001733724708 1429949359 /nfs/dbraw/zinc/94/93/59/1429949359.db2.gz LUCAJWBNFHVYQL-GOSISDBHSA-N 1 3 349.563 3.460 10 0 EGAEHO CCc1cccc(C[NH2+]C2(C)CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001733869368 1437695591 /nfs/dbraw/zinc/69/55/91/1437695591.db2.gz HNXKCXRTSBHHPZ-UHFFFAOYSA-N 1 3 345.531 3.060 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C ZINC001734033534 1437821348 /nfs/dbraw/zinc/82/13/48/1437821348.db2.gz FFYCRXRZYFOVNY-SJORKVTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001734033534 1437821349 /nfs/dbraw/zinc/82/13/49/1437821349.db2.gz FFYCRXRZYFOVNY-SJORKVTESA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734058683 1437850474 /nfs/dbraw/zinc/85/04/74/1437850474.db2.gz LHRXDDZPSKOGHM-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734058683 1437850476 /nfs/dbraw/zinc/85/04/76/1437850476.db2.gz LHRXDDZPSKOGHM-ROUUACIJSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080737 1437867889 /nfs/dbraw/zinc/86/78/89/1437867889.db2.gz MWAQCUIPXIIZEZ-UYAOXDASSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001734488831 1438129807 /nfs/dbraw/zinc/12/98/07/1438129807.db2.gz SGQKQEZAIYZKOU-FXAWDEMLSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@@H](CSC(C)(C)C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124697401 295999599 /nfs/dbraw/zinc/99/95/99/295999599.db2.gz HPSOYIKXIGBNBS-KRWDZBQOSA-N 1 3 341.609 3.447 10 0 EGAEHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)cc2c1OCCO2 ZINC000093688444 218242455 /nfs/dbraw/zinc/24/24/55/218242455.db2.gz PLWQPFYXSKNCMW-UHFFFAOYSA-N 1 3 348.487 3.020 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764287 252215509 /nfs/dbraw/zinc/21/55/09/252215509.db2.gz ITZFULSWKYMDNP-HZPDHXFCSA-N 1 3 332.492 3.209 10 0 EGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cccc(Cl)c2F)CC1 ZINC000179517599 533664079 /nfs/dbraw/zinc/66/40/79/533664079.db2.gz ZCKQDZJXUIKHSJ-CYBMUJFWSA-N 1 3 328.859 3.004 10 0 EGAEHO C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000356230569 141323973 /nfs/dbraw/zinc/32/39/73/141323973.db2.gz MITGELIBYQVZLI-XKGZKEIXSA-N 1 3 331.504 3.059 10 0 EGAEHO C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H](c1ccccc1)N(C)C ZINC000356230569 141323976 /nfs/dbraw/zinc/32/39/76/141323976.db2.gz MITGELIBYQVZLI-XKGZKEIXSA-N 1 3 331.504 3.059 10 0 EGAEHO CCO[C@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370166 144131666 /nfs/dbraw/zinc/13/16/66/144131666.db2.gz ZWDIFRLGWNRYEX-MSOLQXFVSA-N 1 3 326.525 3.059 10 0 EGAEHO CCOCCCN1CCCC2(CCC[N@H+](CCCOCC)C2)C1 ZINC000352018014 286056712 /nfs/dbraw/zinc/05/67/12/286056712.db2.gz MOPAPWMXQAIFKX-UHFFFAOYSA-N 1 3 326.525 3.018 10 0 EGAEHO CCOCCCN1CCCC2(CCC[N@@H+](CCCOCC)C2)C1 ZINC000352018014 286056713 /nfs/dbraw/zinc/05/67/13/286056713.db2.gz MOPAPWMXQAIFKX-UHFFFAOYSA-N 1 3 326.525 3.018 10 0 EGAEHO C[C@@H](c1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192872750 153264402 /nfs/dbraw/zinc/26/44/02/153264402.db2.gz CTZOEIVTEDXJRQ-BRIRTLKKSA-N 1 3 327.516 3.427 10 0 EGAEHO Cc1nn(-c2ccccc2)cc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261871149 153741370 /nfs/dbraw/zinc/74/13/70/153741370.db2.gz SJSONVPORYPHJK-KNQAVFIVSA-N 1 3 346.478 3.355 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000114475789 162234132 /nfs/dbraw/zinc/23/41/32/162234132.db2.gz NITHKOSSLCPGTI-UHFFFAOYSA-N 1 3 332.488 3.402 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000114475789 162234134 /nfs/dbraw/zinc/23/41/34/162234134.db2.gz NITHKOSSLCPGTI-UHFFFAOYSA-N 1 3 332.488 3.402 10 0 EGAEHO C[NH+](C)CCCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000343888681 164058843 /nfs/dbraw/zinc/05/88/43/164058843.db2.gz DUSUFDZEESQEQF-QGZVFWFLSA-N 1 3 340.895 3.329 10 0 EGAEHO COCC[C@H](Cc1cccc(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000366886818 168152357 /nfs/dbraw/zinc/15/23/57/168152357.db2.gz OYPPRKXRIKLYQC-XEVCZEQESA-N 1 3 334.479 3.380 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271882266 275238382 /nfs/dbraw/zinc/23/83/82/275238382.db2.gz SVOQDPBZMAAIQV-FQEVSTJZSA-N 1 3 333.495 3.284 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000248178091 276229296 /nfs/dbraw/zinc/22/92/96/276229296.db2.gz VYYRENNSYRKYHC-VUHPKUFZSA-N 1 3 335.561 3.451 10 0 EGAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000354397952 280254242 /nfs/dbraw/zinc/25/42/42/280254242.db2.gz LVFZNJKAUOGQTF-HXUWFJFHSA-N 1 3 343.515 3.277 10 0 EGAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000354397952 280254243 /nfs/dbraw/zinc/25/42/43/280254243.db2.gz LVFZNJKAUOGQTF-HXUWFJFHSA-N 1 3 343.515 3.277 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000368313778 290383694 /nfs/dbraw/zinc/38/36/94/290383694.db2.gz APEZKKZZRWCNIU-SFHVURJKSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000368313778 290383696 /nfs/dbraw/zinc/38/36/96/290383696.db2.gz APEZKKZZRWCNIU-SFHVURJKSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200475 309066595 /nfs/dbraw/zinc/06/65/95/309066595.db2.gz XWQFULUZPHVDEK-CABCVRRESA-N 1 3 347.894 3.303 10 0 EGAEHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200475 309066596 /nfs/dbraw/zinc/06/65/96/309066596.db2.gz XWQFULUZPHVDEK-CABCVRRESA-N 1 3 347.894 3.303 10 0 EGAEHO COc1cccc(NC(=O)C[C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414810266 309103018 /nfs/dbraw/zinc/10/30/18/309103018.db2.gz HRIFSFGECWZPKX-CABCVRRESA-N 1 3 341.455 3.222 10 0 EGAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942816 309110631 /nfs/dbraw/zinc/11/06/31/309110631.db2.gz MZFATOORQOCERY-SCLBCKFNSA-N 1 3 339.886 3.031 10 0 EGAEHO CC[C@H](CN1CCCC2(CCC[N@H+](C[C@@H](CC)OC)C2)C1)OC ZINC000419284672 309263029 /nfs/dbraw/zinc/26/30/29/309263029.db2.gz TULKOLPWWPDAQZ-PWCSWUJKSA-N 1 3 326.525 3.014 10 0 EGAEHO CC[C@H](CN1CCCC2(CCC[N@@H+](C[C@@H](CC)OC)C2)C1)OC ZINC000419284672 309263030 /nfs/dbraw/zinc/26/30/30/309263030.db2.gz TULKOLPWWPDAQZ-PWCSWUJKSA-N 1 3 326.525 3.014 10 0 EGAEHO COc1ccc(CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422699852 309363454 /nfs/dbraw/zinc/36/34/54/309363454.db2.gz BKJRIMJGWJCWFW-MSOLQXFVSA-N 1 3 326.440 3.371 10 0 EGAEHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711639 309364113 /nfs/dbraw/zinc/36/41/13/309364113.db2.gz HFNPSHYGZHZGRM-QXCFHYIPSA-N 1 3 347.572 3.395 10 0 EGAEHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711640 309364385 /nfs/dbraw/zinc/36/43/85/309364385.db2.gz HFNPSHYGZHZGRM-XGXHKWSGSA-N 1 3 347.572 3.395 10 0 EGAEHO COC[C@H](CCC[NH3+])N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744292 309366340 /nfs/dbraw/zinc/36/63/40/309366340.db2.gz JVKZSQFQDUKXBF-AZUAARDMSA-N 1 3 327.472 3.017 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752651 309366723 /nfs/dbraw/zinc/36/67/23/309366723.db2.gz CVAVMOVEGOMZIO-YJBOKZPZSA-N 1 3 342.462 3.307 10 0 EGAEHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCOCC1 ZINC000422897396 309374897 /nfs/dbraw/zinc/37/48/97/309374897.db2.gz JKTJLXODVYMXQH-PKOBYXMFSA-N 1 3 346.515 3.159 10 0 EGAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCCCC1 ZINC000422935434 309376977 /nfs/dbraw/zinc/37/69/77/309376977.db2.gz AKCPKDFKCIRWPL-QUCCMNQESA-N 1 3 330.472 3.181 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000423020823 309381303 /nfs/dbraw/zinc/38/13/03/309381303.db2.gz AMEKMVIUHXGSOF-CVEARBPZSA-N 1 3 326.488 3.020 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@H]1NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423089537 309385418 /nfs/dbraw/zinc/38/54/18/309385418.db2.gz VIUWMESAIJEMQQ-QDIHITRGSA-N 1 3 333.442 3.041 10 0 EGAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423363229 309397062 /nfs/dbraw/zinc/39/70/62/309397062.db2.gz BPFODKOKCCONMV-OAUYIBNBSA-N 1 3 337.305 3.358 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCSCCCO)CC1 ZINC000449127379 310038956 /nfs/dbraw/zinc/03/89/56/310038956.db2.gz OXDUDBBCNCKWGX-UHFFFAOYSA-N 1 3 330.582 3.371 10 0 EGAEHO CCC(CC)[C@@H](O)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449154061 310040768 /nfs/dbraw/zinc/04/07/68/310040768.db2.gz GZWSREFFKVGDHN-UTKZUKDTSA-N 1 3 332.532 3.469 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000449184846 310043066 /nfs/dbraw/zinc/04/30/66/310043066.db2.gz AKYUCEFCGIIRDA-FGSXEWAUSA-N 1 3 341.543 3.154 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000449187618 310043180 /nfs/dbraw/zinc/04/31/80/310043180.db2.gz KZZYUYNELNQHSX-OXQOHEQNSA-N 1 3 338.499 3.472 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CC2=CCOCC2)cc1 ZINC000449403274 310059052 /nfs/dbraw/zinc/05/90/52/310059052.db2.gz PGNFHJYSQKTALE-QHAWAJNXSA-N 1 3 326.484 3.223 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000450637447 310134241 /nfs/dbraw/zinc/13/42/41/310134241.db2.gz QPMSBMSTFCDIJE-QGZVFWFLSA-N 1 3 343.506 3.302 10 0 EGAEHO CCC[NH+]1CCN(c2ccccc2CN2CC(C)(CCOC)C2)CC1 ZINC000459640039 310565824 /nfs/dbraw/zinc/56/58/24/310565824.db2.gz WYHHKDMBQJZZME-UHFFFAOYSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(CC)(CC)CO)CC1 ZINC000513488570 312211514 /nfs/dbraw/zinc/21/15/14/312211514.db2.gz XKWQSNRSFDTNCC-UHFFFAOYSA-N 1 3 347.547 3.107 10 0 EGAEHO CC[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)N1CCc2ccccc2C1 ZINC000514096586 312224700 /nfs/dbraw/zinc/22/47/00/312224700.db2.gz XBRNKNHNKCHSSI-YSFYHYPLSA-N 1 3 341.543 3.286 10 0 EGAEHO Cc1ccc(NC(=O)C2(CN[C@@H]3CCC[C@@H]3[NH3+])CCCC2)cc1C ZINC000516642937 312334780 /nfs/dbraw/zinc/33/47/80/312334780.db2.gz FJLQQFMIWMJZQR-ZWKOTPCHSA-N 1 3 329.488 3.272 10 0 EGAEHO CCC[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000563725794 316061728 /nfs/dbraw/zinc/06/17/28/316061728.db2.gz RDELVNJGGQMBAV-IBGZPJMESA-N 1 3 335.536 3.068 10 0 EGAEHO COCC1(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000564960745 316238074 /nfs/dbraw/zinc/23/80/74/316238074.db2.gz HKHYQWFAJKGXMP-UHFFFAOYSA-N 1 3 345.531 3.123 10 0 EGAEHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[C@@H](C)C2)CC1 ZINC000578953527 325040274 /nfs/dbraw/zinc/04/02/74/325040274.db2.gz FKNULQHCRQEPMY-MOPGFXCFSA-N 1 3 329.532 3.013 10 0 EGAEHO CCC1(CNC[C@@H](O)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000579228520 325080321 /nfs/dbraw/zinc/08/03/21/325080321.db2.gz QVOMTNKUBWNTDZ-MRXNPFEDSA-N 1 3 344.421 3.192 10 0 EGAEHO CC(=O)N1CC[C@H]([NH2+]CC2(N)CCCCCC2)c2ccccc2C1 ZINC000581423373 325360047 /nfs/dbraw/zinc/36/00/47/325360047.db2.gz HMPQJXROVZAAIY-IBGZPJMESA-N 1 3 329.488 3.121 10 0 EGAEHO c1nc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383379 455267633 /nfs/dbraw/zinc/26/76/33/455267633.db2.gz MUYFVQRVMNTVMC-YTQUADARSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383379 455267637 /nfs/dbraw/zinc/26/76/37/455267637.db2.gz MUYFVQRVMNTVMC-YTQUADARSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383379 455267640 /nfs/dbraw/zinc/26/76/40/455267640.db2.gz MUYFVQRVMNTVMC-YTQUADARSA-N 1 3 327.497 3.186 10 0 EGAEHO C[C@@H]1CC[C@H](C)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076149001 453971162 /nfs/dbraw/zinc/97/11/62/453971162.db2.gz RFFPGVHNTJYSSO-ZWKOTPCHSA-N 1 3 343.515 3.019 10 0 EGAEHO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000071825212 454225139 /nfs/dbraw/zinc/22/51/39/454225139.db2.gz JAQQSNXYJXMWLY-AWEZNQCLSA-N 1 3 336.439 3.397 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132573866 454349925 /nfs/dbraw/zinc/34/99/25/454349925.db2.gz ZMTQVNWWEDRLAT-IUODEOHRSA-N 1 3 327.394 3.409 10 0 EGAEHO COc1cc(C)c(CN2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000103143676 454539768 /nfs/dbraw/zinc/53/97/68/454539768.db2.gz QWSCVFPXANSZOD-UHFFFAOYSA-N 1 3 332.488 3.320 10 0 EGAEHO O=C(CNCC1CC[NH2+]CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000145664721 454854317 /nfs/dbraw/zinc/85/43/17/454854317.db2.gz JKDHJKCXBUFCGO-UHFFFAOYSA-N 1 3 329.488 3.262 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155658900 455027702 /nfs/dbraw/zinc/02/77/02/455027702.db2.gz WPDVBENBNQHMFQ-AZUAARDMSA-N 1 3 345.531 3.133 10 0 EGAEHO COc1cc(C[NH2+]CC2CCN(Cc3cccs3)CC2)ccc1O ZINC000180117281 455134783 /nfs/dbraw/zinc/13/47/83/455134783.db2.gz WDXVEZFIZGYCIU-UHFFFAOYSA-N 1 3 346.496 3.464 10 0 EGAEHO CN1CCC[C@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CC[C@@H]21 ZINC000158506034 455308927 /nfs/dbraw/zinc/30/89/27/455308927.db2.gz AHHVISZZASQLSJ-GJZGRUSLSA-N 1 3 346.500 3.147 10 0 EGAEHO CN1CCC[C@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CC[C@@H]21 ZINC000158506034 455308930 /nfs/dbraw/zinc/30/89/30/455308930.db2.gz AHHVISZZASQLSJ-GJZGRUSLSA-N 1 3 346.500 3.147 10 0 EGAEHO CCCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000246237197 455455253 /nfs/dbraw/zinc/45/52/53/455455253.db2.gz IITACSNDQMBPRD-AQNXPRMDSA-N 1 3 343.515 3.017 10 0 EGAEHO CCn1nccc1CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000284583071 455710217 /nfs/dbraw/zinc/71/02/17/455710217.db2.gz ZRSZTHANTYIIEZ-UHFFFAOYSA-N 1 3 341.503 3.079 10 0 EGAEHO CCn1nccc1CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000284583071 455710220 /nfs/dbraw/zinc/71/02/20/455710220.db2.gz ZRSZTHANTYIIEZ-UHFFFAOYSA-N 1 3 341.503 3.079 10 0 EGAEHO C[NH+](C)CCOc1cc(CN[C@@H](c2ccc(F)cc2)C2CC2)ccn1 ZINC000271647927 455711188 /nfs/dbraw/zinc/71/11/88/455711188.db2.gz FOXRMOCUQDCACO-HXUWFJFHSA-N 1 3 343.446 3.402 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000252653008 455824394 /nfs/dbraw/zinc/82/43/94/455824394.db2.gz RIQKZJNYXQTDLC-RBUKOAKNSA-N 1 3 343.515 3.438 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000252653008 455824400 /nfs/dbraw/zinc/82/44/00/455824400.db2.gz RIQKZJNYXQTDLC-RBUKOAKNSA-N 1 3 343.515 3.438 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252653008 455824404 /nfs/dbraw/zinc/82/44/04/455824404.db2.gz RIQKZJNYXQTDLC-RBUKOAKNSA-N 1 3 343.515 3.438 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252653008 455824410 /nfs/dbraw/zinc/82/44/10/455824410.db2.gz RIQKZJNYXQTDLC-RBUKOAKNSA-N 1 3 343.515 3.438 10 0 EGAEHO C[C@H](NC[C@@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572603 455999819 /nfs/dbraw/zinc/99/98/19/455999819.db2.gz IODFXVFSXAKRGI-BWAGFHJFSA-N 1 3 338.495 3.263 10 0 EGAEHO C[C@H](NC[C@@H](CO)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272572603 455999824 /nfs/dbraw/zinc/99/98/24/455999824.db2.gz IODFXVFSXAKRGI-BWAGFHJFSA-N 1 3 338.495 3.263 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254495 456193967 /nfs/dbraw/zinc/19/39/67/456193967.db2.gz GFCYRROOVVDISN-BAGYTPMASA-N 1 3 339.527 3.210 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000271254495 456193969 /nfs/dbraw/zinc/19/39/69/456193969.db2.gz GFCYRROOVVDISN-BAGYTPMASA-N 1 3 339.527 3.210 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccsc1 ZINC000236882054 456196156 /nfs/dbraw/zinc/19/61/56/456196156.db2.gz CFFXQRBBPZKHHY-LEUOFYLZSA-N 1 3 349.544 3.168 10 0 EGAEHO CC(C)[NH+]1CCC(N2CCN(C[C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000273180108 456203632 /nfs/dbraw/zinc/20/36/32/456203632.db2.gz GUPAKLIXILNDHE-FQEVSTJZSA-N 1 3 343.559 3.356 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[C@H]21 ZINC000340424192 456452827 /nfs/dbraw/zinc/45/28/27/456452827.db2.gz BVVSUAQOIOSWML-SOUVJXGZSA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[C@H]21 ZINC000340424192 456452836 /nfs/dbraw/zinc/45/28/36/456452836.db2.gz BVVSUAQOIOSWML-SOUVJXGZSA-N 1 3 327.394 3.105 10 0 EGAEHO COC1(C[C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000277057216 456666455 /nfs/dbraw/zinc/66/64/55/456666455.db2.gz HRXIMQXTPHKXEL-QUCCMNQESA-N 1 3 330.516 3.488 10 0 EGAEHO O[C@@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)CN1CCCC1 ZINC000341662861 456889409 /nfs/dbraw/zinc/88/94/09/456889409.db2.gz XVQDCRQPEVVMIH-SFTDATJTSA-N 1 3 342.458 3.156 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C)CCOCC2)CC1 ZINC000346799073 457177568 /nfs/dbraw/zinc/17/75/68/457177568.db2.gz BRYMMQISSWATJO-UHFFFAOYSA-N 1 3 345.531 3.125 10 0 EGAEHO CCc1ccccc1CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000369738672 457375484 /nfs/dbraw/zinc/37/54/84/457375484.db2.gz YSZKLQHNORWRFQ-CBQGHPETSA-N 1 3 341.543 3.034 10 0 EGAEHO CCc1ccccc1CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000369738672 457375490 /nfs/dbraw/zinc/37/54/90/457375490.db2.gz YSZKLQHNORWRFQ-CBQGHPETSA-N 1 3 341.543 3.034 10 0 EGAEHO CC[N@H+](CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1)CC1CC1 ZINC000425461306 457563479 /nfs/dbraw/zinc/56/34/79/457563479.db2.gz RXHJWSHDYNIGGV-LJQANCHMSA-N 1 3 349.563 3.220 10 0 EGAEHO CC[N@@H+](CCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1)CC1CC1 ZINC000425461306 457563485 /nfs/dbraw/zinc/56/34/85/457563485.db2.gz RXHJWSHDYNIGGV-LJQANCHMSA-N 1 3 349.563 3.220 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1F ZINC000358343413 457946316 /nfs/dbraw/zinc/94/63/16/457946316.db2.gz HSFIEYLHZVQYGB-LPHOPBHVSA-N 1 3 343.446 3.100 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCOc1ncccc1F ZINC000358343413 457946323 /nfs/dbraw/zinc/94/63/23/457946323.db2.gz HSFIEYLHZVQYGB-LPHOPBHVSA-N 1 3 343.446 3.100 10 0 EGAEHO C[C@H]([C@H](C)O)[N@@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020405 458516859 /nfs/dbraw/zinc/51/68/59/458516859.db2.gz PGMWQEUQLQLUHK-FUHIMQAGSA-N 1 3 330.516 3.378 10 0 EGAEHO C[C@H]([C@H](C)O)[N@H+]1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453020405 458516861 /nfs/dbraw/zinc/51/68/61/458516861.db2.gz PGMWQEUQLQLUHK-FUHIMQAGSA-N 1 3 330.516 3.378 10 0 EGAEHO CC[N@H+](CCC1CCN(C[C@H](O)CC(F)(F)F)CC1)CC(C)C ZINC000469759891 458589946 /nfs/dbraw/zinc/58/99/46/458589946.db2.gz FEHYGDOACUGDNB-MRXNPFEDSA-N 1 3 338.458 3.380 10 0 EGAEHO CC[N@@H+](CCC1CCN(C[C@H](O)CC(F)(F)F)CC1)CC(C)C ZINC000469759891 458589950 /nfs/dbraw/zinc/58/99/50/458589950.db2.gz FEHYGDOACUGDNB-MRXNPFEDSA-N 1 3 338.458 3.380 10 0 EGAEHO CC(C)(C)[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000438726472 458612436 /nfs/dbraw/zinc/61/24/36/458612436.db2.gz SBZOGTOLIKRNFV-FQEVSTJZSA-N 1 3 343.515 3.106 10 0 EGAEHO Cc1nc2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)cc2s1 ZINC000494188689 458637864 /nfs/dbraw/zinc/63/78/64/458637864.db2.gz LNUKYYBEXFCBJX-QZTJIDSGSA-N 1 3 345.512 3.072 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000494926072 458766179 /nfs/dbraw/zinc/76/61/79/458766179.db2.gz WCQIEVHBKZZSSF-SVFBPWRDSA-N 1 3 329.532 3.219 10 0 EGAEHO FC(F)(F)c1ccc([C@@H]2CCCCN2CCN2CC[NH2+]CC2)cc1 ZINC000519156743 458921726 /nfs/dbraw/zinc/92/17/26/458921726.db2.gz KFXLBZXRRJEHCO-KRWDZBQOSA-N 1 3 341.421 3.138 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000576979502 458958701 /nfs/dbraw/zinc/95/87/01/458958701.db2.gz KABGWZBNASTKHP-SFHVURJKSA-N 1 3 348.531 3.261 10 0 EGAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000531946335 459004883 /nfs/dbraw/zinc/00/48/83/459004883.db2.gz YVPZJIXPVWMNNQ-VGOFRKELSA-N 1 3 337.511 3.455 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983909 459011764 /nfs/dbraw/zinc/01/17/64/459011764.db2.gz MEGHLGRYKDJMSX-IRXDYDNUSA-N 1 3 331.504 3.459 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983909 459011767 /nfs/dbraw/zinc/01/17/67/459011767.db2.gz MEGHLGRYKDJMSX-IRXDYDNUSA-N 1 3 331.504 3.459 10 0 EGAEHO Cc1cc([C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)ccc1F ZINC000442887965 459055886 /nfs/dbraw/zinc/05/58/86/459055886.db2.gz CJAZRPSOXWOQSZ-LJQANCHMSA-N 1 3 333.495 3.201 10 0 EGAEHO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000532514668 459104198 /nfs/dbraw/zinc/10/41/98/459104198.db2.gz MTLAZMIZKIKUSG-KXBFYZLASA-N 1 3 335.923 3.092 10 0 EGAEHO CCC[N@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000568050758 459214765 /nfs/dbraw/zinc/21/47/65/459214765.db2.gz DVRHGIGYACLHBQ-ZCNNSNEGSA-N 1 3 328.500 3.358 10 0 EGAEHO CCC[N@@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000568050758 459214768 /nfs/dbraw/zinc/21/47/68/459214768.db2.gz DVRHGIGYACLHBQ-ZCNNSNEGSA-N 1 3 328.500 3.358 10 0 EGAEHO CCCC[N@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000572942883 459599377 /nfs/dbraw/zinc/59/93/77/459599377.db2.gz UOUWSQJRBMSZRF-PXNSSMCTSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCC[N@@H+](CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000572942883 459599382 /nfs/dbraw/zinc/59/93/82/459599382.db2.gz UOUWSQJRBMSZRF-PXNSSMCTSA-N 1 3 349.563 3.410 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCCCNC1 ZINC000562748209 459640825 /nfs/dbraw/zinc/64/08/25/459640825.db2.gz ZUVDVRBHZKFQET-DOMZBBRYSA-N 1 3 343.393 3.154 10 0 EGAEHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000562989923 459687139 /nfs/dbraw/zinc/68/71/39/459687139.db2.gz BTOBKTAQCGEJKB-HXUWFJFHSA-N 1 3 334.479 3.116 10 0 EGAEHO CC(C)n1ccc(C[C@@H](C)[NH2+]CC2(N)C3CC4CC(C3)CC2C4)n1 ZINC000573555899 459695718 /nfs/dbraw/zinc/69/57/18/459695718.db2.gz RQAPFQUNRFYWDI-UABJAZSOSA-N 1 3 330.520 3.138 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1nc(-c2ccccc2)no1 ZINC000573858704 459746865 /nfs/dbraw/zinc/74/68/65/459746865.db2.gz SNMKMHZDIDVGHU-VDHUWJSZSA-N 1 3 340.471 3.303 10 0 EGAEHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1nc(-c2ccccc2)no1 ZINC000573858704 459746868 /nfs/dbraw/zinc/74/68/68/459746868.db2.gz SNMKMHZDIDVGHU-VDHUWJSZSA-N 1 3 340.471 3.303 10 0 EGAEHO CCN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575195073 459946144 /nfs/dbraw/zinc/94/61/44/459946144.db2.gz ASSVTGVHCQBHRF-DACLVMHWSA-N 1 3 339.886 3.474 10 0 EGAEHO OC[C@]12CCC[C@H]1C[N@H+](Cc1cccc(CN3CCCCC3)c1)C2 ZINC000626015880 460338860 /nfs/dbraw/zinc/33/88/60/460338860.db2.gz RJZQPWNGCKTEHR-LEWJYISDSA-N 1 3 328.500 3.267 10 0 EGAEHO OC[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(CN3CCCCC3)c1)C2 ZINC000626015880 460338863 /nfs/dbraw/zinc/33/88/63/460338863.db2.gz RJZQPWNGCKTEHR-LEWJYISDSA-N 1 3 328.500 3.267 10 0 EGAEHO COc1ccccc1[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337410 460495690 /nfs/dbraw/zinc/49/56/90/460495690.db2.gz JBZZKNURCOIHQE-IEBWSBKVSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337410 460495696 /nfs/dbraw/zinc/49/56/96/460495696.db2.gz JBZZKNURCOIHQE-IEBWSBKVSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N1CCCC1 ZINC000623337410 460495702 /nfs/dbraw/zinc/49/57/02/460495702.db2.gz JBZZKNURCOIHQE-IEBWSBKVSA-N 1 3 345.531 3.295 10 0 EGAEHO CN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CC1(C)C ZINC000623415328 460535981 /nfs/dbraw/zinc/53/59/81/460535981.db2.gz HQERVMREGXQRCG-KRWDZBQOSA-N 1 3 339.593 3.201 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]CC2(N)CCOCC2)c2cccc(Br)c21 ZINC000629519610 460792326 /nfs/dbraw/zinc/79/23/26/460792326.db2.gz BVULYQBBDGNMIM-SMDDNHRTSA-N 1 3 339.277 3.095 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCCCO1 ZINC000623979638 460808348 /nfs/dbraw/zinc/80/83/48/460808348.db2.gz HVWDVSMYDYGTLO-OXJNMPFZSA-N 1 3 332.488 3.207 10 0 EGAEHO CN1CCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624271924 460942261 /nfs/dbraw/zinc/94/22/61/460942261.db2.gz MSBYHFVWGWJFAC-DOIPELPJSA-N 1 3 327.516 3.113 10 0 EGAEHO Cc1ncc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628227485 461054647 /nfs/dbraw/zinc/05/46/47/461054647.db2.gz IBSHHUCCIZJDMZ-UHFFFAOYSA-N 1 3 343.471 3.144 10 0 EGAEHO CC(C)N(C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662294113 461172450 /nfs/dbraw/zinc/17/24/50/461172450.db2.gz JALNAOYWRBTVIU-LJQANCHMSA-N 1 3 343.515 3.140 10 0 EGAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662402030 461231470 /nfs/dbraw/zinc/23/14/70/461231470.db2.gz FGNUIARWZXWRNA-MDZRGWNJSA-N 1 3 343.515 3.094 10 0 EGAEHO CC(C)CC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000638114812 461249829 /nfs/dbraw/zinc/24/98/29/461249829.db2.gz YQRISQVMZXDIRB-NXEWRWPSSA-N 1 3 343.515 3.062 10 0 EGAEHO CC(C)CC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000638114812 461249834 /nfs/dbraw/zinc/24/98/34/461249834.db2.gz YQRISQVMZXDIRB-NXEWRWPSSA-N 1 3 343.515 3.062 10 0 EGAEHO CC[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662459471 461251822 /nfs/dbraw/zinc/25/18/22/461251822.db2.gz ZPQVNUHRNPOCTI-MOPGFXCFSA-N 1 3 343.515 3.060 10 0 EGAEHO c1ccc(N2CC[C@@H](C[N@H+]3CC[C@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122056 461255823 /nfs/dbraw/zinc/25/58/23/461255823.db2.gz KJAFNZBQZOUCJE-UXHICEINSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@H](CN4CCCCC4)C3)C2)cc1 ZINC000638122056 461255831 /nfs/dbraw/zinc/25/58/31/461255831.db2.gz KJAFNZBQZOUCJE-UXHICEINSA-N 1 3 327.516 3.321 10 0 EGAEHO c1ccc(N2CC[C@@H](CN3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122056 461255839 /nfs/dbraw/zinc/25/58/39/461255839.db2.gz KJAFNZBQZOUCJE-UXHICEINSA-N 1 3 327.516 3.321 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662469 461259062 /nfs/dbraw/zinc/25/90/62/461259062.db2.gz FSNSDVKMAZDOGD-OAQYLSRUSA-N 1 3 347.522 3.205 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662469 461259073 /nfs/dbraw/zinc/25/90/73/461259073.db2.gz FSNSDVKMAZDOGD-OAQYLSRUSA-N 1 3 347.522 3.205 10 0 EGAEHO Cc1scc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1C ZINC000631109274 461557037 /nfs/dbraw/zinc/55/70/37/461557037.db2.gz BUSXOEVQPDWFDX-IBGZPJMESA-N 1 3 330.497 3.221 10 0 EGAEHO Cc1scc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C ZINC000631109274 461557048 /nfs/dbraw/zinc/55/70/48/461557048.db2.gz BUSXOEVQPDWFDX-IBGZPJMESA-N 1 3 330.497 3.221 10 0 EGAEHO COc1cc(F)cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000647249123 461588862 /nfs/dbraw/zinc/58/88/62/461588862.db2.gz CMCNEXVGGAQTFV-XLIONFOSSA-N 1 3 328.431 3.269 10 0 EGAEHO O=c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000631177772 461615496 /nfs/dbraw/zinc/61/54/96/461615496.db2.gz RDHLJQUYMQPFDO-LJQANCHMSA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000631177772 461615501 /nfs/dbraw/zinc/61/55/01/461615501.db2.gz RDHLJQUYMQPFDO-LJQANCHMSA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000631177772 461615509 /nfs/dbraw/zinc/61/55/09/461615509.db2.gz RDHLJQUYMQPFDO-LJQANCHMSA-N 1 3 337.467 3.179 10 0 EGAEHO CC[N@H+](CCC1CCN(CCO[C@H]2CC2(F)F)CC1)CC(C)C ZINC000660171690 461620058 /nfs/dbraw/zinc/62/00/58/461620058.db2.gz LNNQLSCNONDHHG-KRWDZBQOSA-N 1 3 332.479 3.491 10 0 EGAEHO CC[N@@H+](CCC1CCN(CCO[C@H]2CC2(F)F)CC1)CC(C)C ZINC000660171690 461620068 /nfs/dbraw/zinc/62/00/68/461620068.db2.gz LNNQLSCNONDHHG-KRWDZBQOSA-N 1 3 332.479 3.491 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786130 461895938 /nfs/dbraw/zinc/89/59/38/461895938.db2.gz LCJVKHTUOVJAIZ-KRWDZBQOSA-N 1 3 342.512 3.417 10 0 EGAEHO C[C@H]1C[C@@H](CNCc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710099 461903994 /nfs/dbraw/zinc/90/39/94/461903994.db2.gz DMWRIBUZYTXJGP-GJZGRUSLSA-N 1 3 329.419 3.491 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000644532040 461973589 /nfs/dbraw/zinc/97/35/89/461973589.db2.gz VKMBKODROPETNL-MOPGFXCFSA-N 1 3 348.531 3.260 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccnn1-c1ccncc1 ZINC000657311737 462035958 /nfs/dbraw/zinc/03/59/58/462035958.db2.gz SRCZILXZABPCPG-QGZVFWFLSA-N 1 3 327.476 3.012 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccnn1-c1ccncc1 ZINC000657311737 462035960 /nfs/dbraw/zinc/03/59/60/462035960.db2.gz SRCZILXZABPCPG-QGZVFWFLSA-N 1 3 327.476 3.012 10 0 EGAEHO Fc1ccc(Cl)cc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657534628 462171059 /nfs/dbraw/zinc/17/10/59/462171059.db2.gz BKEPSHKAQOFZNF-UHFFFAOYSA-N 1 3 340.870 3.460 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657594619 462196452 /nfs/dbraw/zinc/19/64/52/462196452.db2.gz CIBPFXZDLNPZAJ-NDXORKPFSA-N 1 3 328.500 3.335 10 0 EGAEHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc2cnccc2o1 ZINC000657924571 462319941 /nfs/dbraw/zinc/31/99/41/462319941.db2.gz BZDWGXLUKZNAHG-QGTPRVQTSA-N 1 3 343.471 3.246 10 0 EGAEHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)C(C)(C)C(F)F ZINC000658012143 462346903 /nfs/dbraw/zinc/34/69/03/462346903.db2.gz CKRILTMMMWJZFU-CYBMUJFWSA-N 1 3 329.435 3.182 10 0 EGAEHO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000658053497 462358438 /nfs/dbraw/zinc/35/84/38/462358438.db2.gz BJSZOWCNVKCAAU-SJLPKXTDSA-N 1 3 333.520 3.150 10 0 EGAEHO CCC[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658136254 462400739 /nfs/dbraw/zinc/40/07/39/462400739.db2.gz GJQRLBPKLDCMHH-NHCUHLMSSA-N 1 3 339.483 3.279 10 0 EGAEHO CCC[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658136254 462400742 /nfs/dbraw/zinc/40/07/42/462400742.db2.gz GJQRLBPKLDCMHH-NHCUHLMSSA-N 1 3 339.483 3.279 10 0 EGAEHO Cc1ccsc1[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138329 462403024 /nfs/dbraw/zinc/40/30/24/462403024.db2.gz JDYSZDZSVZPDTA-YJBOKZPZSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccsc1[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138329 462403031 /nfs/dbraw/zinc/40/30/31/462403031.db2.gz JDYSZDZSVZPDTA-YJBOKZPZSA-N 1 3 330.497 3.474 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144515 462407040 /nfs/dbraw/zinc/40/70/40/462407040.db2.gz MMQSJUBTLZCPDZ-MGPUTAFESA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144515 462407047 /nfs/dbraw/zinc/40/70/47/462407047.db2.gz MMQSJUBTLZCPDZ-MGPUTAFESA-N 1 3 328.431 3.243 10 0 EGAEHO OC1CCC(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000658284234 462455208 /nfs/dbraw/zinc/45/52/08/462455208.db2.gz GCJODBYXYQEISL-JNXFOVNBSA-N 1 3 342.527 3.428 10 0 EGAEHO O[C@@H]1CCN(C2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000662161585 462533378 /nfs/dbraw/zinc/53/33/78/462533378.db2.gz WAPCMGKPGKSGCS-OAQYLSRUSA-N 1 3 336.479 3.307 10 0 EGAEHO C[C@H](NCc1ccc(CO)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000178562508 533917708 /nfs/dbraw/zinc/91/77/08/533917708.db2.gz CZKIRPDDMNBQDS-HNNXBMFYSA-N 1 3 346.446 3.109 10 0 EGAEHO CN1CCC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000361719170 536387331 /nfs/dbraw/zinc/38/73/31/536387331.db2.gz SRWUTCIZROESHH-AEFFLSMTSA-N 1 3 343.496 3.020 10 0 EGAEHO C[C@@H](COCc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000390557220 547828486 /nfs/dbraw/zinc/82/84/86/547828486.db2.gz IKWDUACUEKYQCG-KRWDZBQOSA-N 1 3 325.456 3.245 10 0 EGAEHO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC[C@H]1CCCCN1C ZINC000675499040 548930644 /nfs/dbraw/zinc/93/06/44/548930644.db2.gz JXNANDMPIOHHBG-PZJWPPBQSA-N 1 3 329.532 3.457 10 0 EGAEHO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CC[C@H]1CCCCN1C ZINC000675499040 548930649 /nfs/dbraw/zinc/93/06/49/548930649.db2.gz JXNANDMPIOHHBG-PZJWPPBQSA-N 1 3 329.532 3.457 10 0 EGAEHO CC(C)[NH+]1CCC(N[C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000679997929 549803841 /nfs/dbraw/zinc/80/38/41/549803841.db2.gz NHKQINGUCDCVKX-IBGZPJMESA-N 1 3 326.488 3.166 10 0 EGAEHO CC(C)N1CCC([NH2+][C@@H](Cc2nccn2C)c2ccccc2)CC1 ZINC000679997929 549803843 /nfs/dbraw/zinc/80/38/43/549803843.db2.gz NHKQINGUCDCVKX-IBGZPJMESA-N 1 3 326.488 3.166 10 0 EGAEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc(O)ccc1F ZINC000872084278 1296723843 /nfs/dbraw/zinc/72/38/43/1296723843.db2.gz HJCTZIKCWTUSOK-AWEZNQCLSA-N 1 3 336.451 3.073 10 0 EGAEHO CC[NH+](CC)CCCN[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029289 1297724072 /nfs/dbraw/zinc/72/40/72/1297724072.db2.gz IUGMHPGBYQIMGT-HOTGVXAUSA-N 1 3 327.513 3.096 10 0 EGAEHO C[NH+]1CCC2(CCN(Cc3cncc(Br)c3)CC2)CC1 ZINC000709314762 1298247562 /nfs/dbraw/zinc/24/75/62/1298247562.db2.gz OKKPBSNDPXVOHS-UHFFFAOYSA-N 1 3 338.293 3.152 10 0 EGAEHO c1c(CN2CC[C@H](OCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000710878245 1298258138 /nfs/dbraw/zinc/25/81/38/1298258138.db2.gz ZJBIAVFBTKSLLY-KRWDZBQOSA-N 1 3 328.481 3.185 10 0 EGAEHO c1c(CN2CC[C@@H](OCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000710878246 1298258861 /nfs/dbraw/zinc/25/88/61/1298258861.db2.gz ZJBIAVFBTKSLLY-QGZVFWFLSA-N 1 3 328.481 3.185 10 0 EGAEHO Cc1ccnc(N)c1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000893996291 1306169351 /nfs/dbraw/zinc/16/93/51/1306169351.db2.gz YKPZHXYOFUNAMX-UHFFFAOYSA-N 1 3 338.499 3.316 10 0 EGAEHO Cc1ccnc(N)c1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000893996291 1306169354 /nfs/dbraw/zinc/16/93/54/1306169354.db2.gz YKPZHXYOFUNAMX-UHFFFAOYSA-N 1 3 338.499 3.316 10 0 EGAEHO COC(=O)CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000894762719 1309055885 /nfs/dbraw/zinc/05/58/85/1309055885.db2.gz YILZCQBGXJKEMH-ZCNNSNEGSA-N 1 3 344.499 3.363 10 0 EGAEHO CSCc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000921753505 1322392957 /nfs/dbraw/zinc/39/29/57/1322392957.db2.gz DEINKIDGWMYXRH-GOSISDBHSA-N 1 3 334.529 3.140 10 0 EGAEHO O=c1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259233 1322489107 /nfs/dbraw/zinc/48/91/07/1322489107.db2.gz CHPZWWZIBOPEAQ-IBGZPJMESA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259233 1322489109 /nfs/dbraw/zinc/48/91/09/1322489109.db2.gz CHPZWWZIBOPEAQ-IBGZPJMESA-N 1 3 337.467 3.179 10 0 EGAEHO O=c1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259233 1322489112 /nfs/dbraw/zinc/48/91/12/1322489112.db2.gz CHPZWWZIBOPEAQ-IBGZPJMESA-N 1 3 337.467 3.179 10 0 EGAEHO COc1ccc(C(C)C)cc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452330 1322754386 /nfs/dbraw/zinc/75/43/86/1322754386.db2.gz PYSMEHSLFYPBDW-SFHVURJKSA-N 1 3 332.488 3.148 10 0 EGAEHO CC(C)CCN1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000924562239 1323056780 /nfs/dbraw/zinc/05/67/80/1323056780.db2.gz BDSQUGTYWJIIJD-QGZVFWFLSA-N 1 3 341.503 3.428 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)n2)[C@H](C)C1 ZINC000925076892 1323268876 /nfs/dbraw/zinc/26/88/76/1323268876.db2.gz AGRBVKQRDLAJFX-SQNIBIBYSA-N 1 3 349.519 3.268 10 0 EGAEHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480425 1325169053 /nfs/dbraw/zinc/16/90/53/1325169053.db2.gz KINDXLFPZNMANY-BPUTZDHNSA-N 1 3 331.460 3.200 10 0 EGAEHO c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925536086 1325197002 /nfs/dbraw/zinc/19/70/02/1325197002.db2.gz MWUZLJGHLNVWRU-SFTDATJTSA-N 1 3 338.499 3.173 10 0 EGAEHO CCOc1c(OC)cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533983 1325197015 /nfs/dbraw/zinc/19/70/15/1325197015.db2.gz HUYOEOAJXNPRRU-CABCVRRESA-N 1 3 336.476 3.098 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925561740 1325210173 /nfs/dbraw/zinc/21/01/73/1325210173.db2.gz DNYGTSRCCJFGDT-DQEVTTJGSA-N 1 3 331.479 3.018 10 0 EGAEHO O[C@H](c1ccccc1)C1(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925624215 1325235256 /nfs/dbraw/zinc/23/52/56/1325235256.db2.gz WVRZSGVZXDGWLC-SLFFLAALSA-N 1 3 328.500 3.258 10 0 EGAEHO [NH3+]CCC[C@@H](NCc1ccnc(-c2ccccn2)n1)c1ccccc1 ZINC000925762087 1325289418 /nfs/dbraw/zinc/28/94/18/1325289418.db2.gz GLOAWBCYWVAZGO-GOSISDBHSA-N 1 3 333.439 3.108 10 0 EGAEHO CC[C@@H](NCCN1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000925811775 1325312778 /nfs/dbraw/zinc/31/27/78/1325312778.db2.gz RUNDOALJVMQPMA-MRXNPFEDSA-N 1 3 330.303 3.457 10 0 EGAEHO Cc1ccc(NC(=O)C[C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000925844139 1325325778 /nfs/dbraw/zinc/32/57/78/1325325778.db2.gz WGJJSIBDUBXKBI-POZUXBRTSA-N 1 3 349.906 3.487 10 0 EGAEHO CC(C)CC[NH+]1CCC(NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1 ZINC000926879772 1327753954 /nfs/dbraw/zinc/75/39/54/1327753954.db2.gz WJCIZERZITXLEL-LCLWPZTBSA-N 1 3 338.536 3.059 10 0 EGAEHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000866702969 1330142527 /nfs/dbraw/zinc/14/25/27/1330142527.db2.gz FRTZDMLKNPDFBJ-GOSISDBHSA-N 1 3 337.895 3.366 10 0 EGAEHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000866702969 1330142528 /nfs/dbraw/zinc/14/25/28/1330142528.db2.gz FRTZDMLKNPDFBJ-GOSISDBHSA-N 1 3 337.895 3.366 10 0 EGAEHO C[C@H](c1ccccc1F)N1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958762 1387852350 /nfs/dbraw/zinc/85/23/50/1387852350.db2.gz WJCLATJUVWIJPB-UZLBHIALSA-N 1 3 349.494 3.057 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001325630919 1388017603 /nfs/dbraw/zinc/01/76/03/1388017603.db2.gz YMMCWMXLHYAVHS-QXCFHYIPSA-N 1 3 349.563 3.122 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001325630919 1388017607 /nfs/dbraw/zinc/01/76/07/1388017607.db2.gz YMMCWMXLHYAVHS-QXCFHYIPSA-N 1 3 349.563 3.122 10 0 EGAEHO C[C@@H](NCCOC1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812551 1371407246 /nfs/dbraw/zinc/40/72/46/1371407246.db2.gz QFQDMIAELWEJFS-CVEARBPZSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@@H](NCCOC1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119812551 1371407250 /nfs/dbraw/zinc/40/72/50/1371407250.db2.gz QFQDMIAELWEJFS-CVEARBPZSA-N 1 3 326.550 3.141 10 0 EGAEHO C[C@@H]([NH2+]CCOC1CCSCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001119812551 1371407252 /nfs/dbraw/zinc/40/72/52/1371407252.db2.gz QFQDMIAELWEJFS-CVEARBPZSA-N 1 3 326.550 3.141 10 0 EGAEHO CC[NH+](CC)CC[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC001124047874 1372665268 /nfs/dbraw/zinc/66/52/68/1372665268.db2.gz POLANFULOVPMAK-HNNXBMFYSA-N 1 3 345.487 3.345 10 0 EGAEHO CC[C@@H](C)C[N@H+](C)Cc1ccccc1CNC(=O)Cc1nc[nH]c1C ZINC001326489659 1388214450 /nfs/dbraw/zinc/21/44/50/1388214450.db2.gz CIWUJHZJQJWQRN-OAHLLOKOSA-N 1 3 342.487 3.055 10 0 EGAEHO CC[C@@H](C)C[N@@H+](C)Cc1ccccc1CNC(=O)Cc1nc[nH]c1C ZINC001326489659 1388214454 /nfs/dbraw/zinc/21/44/54/1388214454.db2.gz CIWUJHZJQJWQRN-OAHLLOKOSA-N 1 3 342.487 3.055 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC001326555484 1388238407 /nfs/dbraw/zinc/23/84/07/1388238407.db2.gz SXJXACPFEOUCOE-IYARVYRRSA-N 1 3 346.519 3.106 10 0 EGAEHO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCC1 ZINC001326927552 1388352363 /nfs/dbraw/zinc/35/23/63/1388352363.db2.gz DNXXNZMTSWNVHG-GOSISDBHSA-N 1 3 335.536 3.092 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001327164247 1388416522 /nfs/dbraw/zinc/41/65/22/1388416522.db2.gz SOXLYVMVNNUCBA-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001327164247 1388416524 /nfs/dbraw/zinc/41/65/24/1388416524.db2.gz SOXLYVMVNNUCBA-IBGZPJMESA-N 1 3 337.552 3.269 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707988 1377163222 /nfs/dbraw/zinc/16/32/22/1377163222.db2.gz IEFNDHQLXVKDAJ-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)CN(C)C(C)C)C2)c1 ZINC001265707988 1377163225 /nfs/dbraw/zinc/16/32/25/1377163225.db2.gz IEFNDHQLXVKDAJ-AZUAARDMSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266232926 1377239180 /nfs/dbraw/zinc/23/91/80/1377239180.db2.gz DEDUHUJMXKLWGR-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001266232926 1377239183 /nfs/dbraw/zinc/23/91/83/1377239183.db2.gz DEDUHUJMXKLWGR-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001268194793 1377491440 /nfs/dbraw/zinc/49/14/40/1377491440.db2.gz XNZUUOJLWWEDIG-IRXDYDNUSA-N 1 3 343.531 3.073 10 0 EGAEHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001268194793 1377491442 /nfs/dbraw/zinc/49/14/42/1377491442.db2.gz XNZUUOJLWWEDIG-IRXDYDNUSA-N 1 3 343.531 3.073 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001268271717 1377504937 /nfs/dbraw/zinc/50/49/37/1377504937.db2.gz SRCBAISGBWKSKT-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001268271717 1377504938 /nfs/dbraw/zinc/50/49/38/1377504938.db2.gz SRCBAISGBWKSKT-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001269178053 1377541639 /nfs/dbraw/zinc/54/16/39/1377541639.db2.gz XLOARSGYBBQLBW-ZYHOBAKYSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001269178053 1377541643 /nfs/dbraw/zinc/54/16/43/1377541643.db2.gz XLOARSGYBBQLBW-ZYHOBAKYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001271575909 1377639614 /nfs/dbraw/zinc/63/96/14/1377639614.db2.gz KBYQCSXGKDESCH-IAGOWNOFSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001278911547 1378290121 /nfs/dbraw/zinc/29/01/21/1378290121.db2.gz CNAXYGVGGTZAQY-HXUWFJFHSA-N 1 3 345.531 3.230 10 0 EGAEHO CC(C)N(CCN(C)Cc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001278911547 1378290124 /nfs/dbraw/zinc/29/01/24/1378290124.db2.gz CNAXYGVGGTZAQY-HXUWFJFHSA-N 1 3 345.531 3.230 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CCCCCC2)CC1)N(C)C ZINC001279583044 1378314420 /nfs/dbraw/zinc/31/44/20/1378314420.db2.gz VJFDELXPUIKPQD-FQEVSTJZSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CC2CCCCCC2)CC1)N(C)C ZINC001279583044 1378314428 /nfs/dbraw/zinc/31/44/28/1378314428.db2.gz VJFDELXPUIKPQD-FQEVSTJZSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCC(C)C)C2)C1)N(C)C ZINC001327532443 1388553324 /nfs/dbraw/zinc/55/33/24/1388553324.db2.gz YHXNFVPCANQBMM-QUCCMNQESA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(C)C)C2)C1)N(C)C ZINC001327532443 1388553325 /nfs/dbraw/zinc/55/33/25/1388553325.db2.gz YHXNFVPCANQBMM-QUCCMNQESA-N 1 3 337.552 3.077 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCCCC2)CC1 ZINC001327971056 1388636795 /nfs/dbraw/zinc/63/67/95/1388636795.db2.gz WVCURXQUVZXCJM-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@H+](C)CC1CCC(C)CC1)C(C)C)N(C)C ZINC001284553591 1379961990 /nfs/dbraw/zinc/96/19/90/1379961990.db2.gz PXTCJRLETLLNGC-CTWPCTMYSA-N 1 3 339.568 3.322 10 0 EGAEHO CC[C@H](C(=O)N(CC[N@@H+](C)CC1CCC(C)CC1)C(C)C)N(C)C ZINC001284553591 1379961995 /nfs/dbraw/zinc/96/19/95/1379961995.db2.gz PXTCJRLETLLNGC-CTWPCTMYSA-N 1 3 339.568 3.322 10 0 EGAEHO CC(C)C[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001284713239 1380130109 /nfs/dbraw/zinc/13/01/09/1380130109.db2.gz VEQWBKYHWWCDAI-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001328458706 1388750554 /nfs/dbraw/zinc/75/05/54/1388750554.db2.gz JYJJCOJHCQKJQV-PXNSSMCTSA-N 1 3 345.531 3.108 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001328459133 1388750576 /nfs/dbraw/zinc/75/05/76/1388750576.db2.gz MRDWJSPWNROLAY-ICSRJNTNSA-N 1 3 345.531 3.162 10 0 EGAEHO CCCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001316598695 1384464815 /nfs/dbraw/zinc/46/48/15/1384464815.db2.gz GNHVMLFOHIZVGO-GOSISDBHSA-N 1 3 337.552 3.362 10 0 EGAEHO CCCCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001316598695 1384464817 /nfs/dbraw/zinc/46/48/17/1384464817.db2.gz GNHVMLFOHIZVGO-GOSISDBHSA-N 1 3 337.552 3.362 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)N1CCCCCC1 ZINC001316625727 1384490904 /nfs/dbraw/zinc/49/09/04/1384490904.db2.gz VWHWAVAHPQWFTG-YSIASYRMSA-N 1 3 347.547 3.236 10 0 EGAEHO CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCCCCF)C1)N(C)C ZINC001316773031 1384571401 /nfs/dbraw/zinc/57/14/01/1384571401.db2.gz RTSNAGOMQWIOSN-ROUUACIJSA-N 1 3 343.531 3.073 10 0 EGAEHO CN(C)C1(C(=O)N2CCCCC[C@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001316773986 1384572433 /nfs/dbraw/zinc/57/24/33/1384572433.db2.gz RWAIHOLXZMQWFW-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001316830989 1384624457 /nfs/dbraw/zinc/62/44/57/1384624457.db2.gz VQPBHGSAHYNLLF-GOSISDBHSA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCNC(=O)C1(N(C)C)CCC1 ZINC001316830989 1384624460 /nfs/dbraw/zinc/62/44/60/1384624460.db2.gz VQPBHGSAHYNLLF-GOSISDBHSA-N 1 3 349.494 3.199 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877694 1384662089 /nfs/dbraw/zinc/66/20/89/1384662089.db2.gz FYMVUDRUMOELAE-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001317183045 1384958408 /nfs/dbraw/zinc/95/84/08/1384958408.db2.gz MDIOKYATQGOLIG-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317384160 1385108938 /nfs/dbraw/zinc/10/89/38/1385108938.db2.gz LLMJRDKQPPJYHR-MOPGFXCFSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001317384160 1385108940 /nfs/dbraw/zinc/10/89/40/1385108940.db2.gz LLMJRDKQPPJYHR-MOPGFXCFSA-N 1 3 337.552 3.364 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001317414535 1385124944 /nfs/dbraw/zinc/12/49/44/1385124944.db2.gz ALBYKEYPWLNVRJ-IEYVCLCVSA-N 1 3 343.515 3.059 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001317415906 1385126115 /nfs/dbraw/zinc/12/61/15/1385126115.db2.gz PGZCNSQURXLBHQ-MSOLQXFVSA-N 1 3 333.520 3.189 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317811991 1385511636 /nfs/dbraw/zinc/51/16/36/1385511636.db2.gz TYVFBXSEFUVPGV-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317811991 1385511646 /nfs/dbraw/zinc/51/16/46/1385511646.db2.gz TYVFBXSEFUVPGV-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001318406536 1385676675 /nfs/dbraw/zinc/67/66/75/1385676675.db2.gz IKDOETTWXXTVOQ-XSAZBNQGSA-N 1 3 335.536 3.140 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2CCC)C1 ZINC001318406536 1385676679 /nfs/dbraw/zinc/67/66/79/1385676679.db2.gz IKDOETTWXXTVOQ-XSAZBNQGSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001318583214 1385772202 /nfs/dbraw/zinc/77/22/02/1385772202.db2.gz ZDONTBHKDOHVEV-ROUUACIJSA-N 1 3 337.552 3.170 10 0 EGAEHO CC[C@H](C)C[NH2+]CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001318915216 1385880722 /nfs/dbraw/zinc/88/07/22/1385880722.db2.gz ODUWOLHTSWEGQU-KRWDZBQOSA-N 1 3 339.568 3.229 10 0 EGAEHO CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001319008749 1385922412 /nfs/dbraw/zinc/92/24/12/1385922412.db2.gz KIRLWWOMKBNDGW-XLIONFOSSA-N 1 3 345.531 3.313 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001319044459 1385944655 /nfs/dbraw/zinc/94/46/55/1385944655.db2.gz QCQFPAONAPXZCL-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592303 1386194071 /nfs/dbraw/zinc/19/40/71/1386194071.db2.gz IPJVPIHKSKHWAK-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@H](C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1)N(C)C ZINC001698635977 1406280897 /nfs/dbraw/zinc/28/08/97/1406280897.db2.gz UTDOZHMOCYNGFO-GOSISDBHSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F)N(C)C ZINC001319788446 1386296303 /nfs/dbraw/zinc/29/63/03/1386296303.db2.gz NSFDWRKDHQZLAS-IEBWSBKVSA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001322244475 1387118564 /nfs/dbraw/zinc/11/85/64/1387118564.db2.gz NKVVSUBBSNDJEI-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001322244475 1387118566 /nfs/dbraw/zinc/11/85/66/1387118566.db2.gz NKVVSUBBSNDJEI-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341704 1387163697 /nfs/dbraw/zinc/16/36/97/1387163697.db2.gz YYXPBFTXJRJRGI-RTBURBONSA-N 1 3 347.547 3.236 10 0 EGAEHO CC(C)CCC[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001322694684 1387226610 /nfs/dbraw/zinc/22/66/10/1387226610.db2.gz SGULLWBAQFHLTC-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1 ZINC001329860641 1389238452 /nfs/dbraw/zinc/23/84/52/1389238452.db2.gz KDOYSKZMOHPRLZ-ODYNWVGCSA-N 1 3 341.927 3.020 10 0 EGAEHO CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001329937260 1389266123 /nfs/dbraw/zinc/26/61/23/1389266123.db2.gz NQEYWBVRQZMPIB-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001329937260 1389266128 /nfs/dbraw/zinc/26/61/28/1389266128.db2.gz NQEYWBVRQZMPIB-MOPGFXCFSA-N 1 3 337.552 3.412 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001698727215 1406377922 /nfs/dbraw/zinc/37/79/22/1406377922.db2.gz XGBNEZHTNZXIMO-SFHVURJKSA-N 1 3 345.531 3.306 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001698731991 1406381101 /nfs/dbraw/zinc/38/11/01/1406381101.db2.gz ABSNRSJCSMYYOG-UYAOXDASSA-N 1 3 349.563 3.269 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)N(C)C ZINC001331344824 1389710990 /nfs/dbraw/zinc/71/09/90/1389710990.db2.gz CTYFMZDZSMUVPJ-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@@H]2C)cc1 ZINC001331944307 1389921275 /nfs/dbraw/zinc/92/12/75/1389921275.db2.gz ONKGJHUQYOQAIA-YLJYHZDGSA-N 1 3 345.531 3.058 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C)N(C)C ZINC001332882093 1390208455 /nfs/dbraw/zinc/20/84/55/1390208455.db2.gz QYDCTHFCKSEGMM-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CN(CC(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001333121942 1390252048 /nfs/dbraw/zinc/25/20/48/1390252048.db2.gz WZDPKLMNJVJREV-UHFFFAOYSA-N 1 3 349.563 3.124 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001479478888 1392252557 /nfs/dbraw/zinc/25/25/57/1392252557.db2.gz FOAUYFHOUNPWHL-XLGQSGQMSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C)N(C)C ZINC001479719272 1392336563 /nfs/dbraw/zinc/33/65/63/1392336563.db2.gz QYOHECGWBGSUPC-NZSAHSFTSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H]1C)N(C)C ZINC001479719272 1392336564 /nfs/dbraw/zinc/33/65/64/1392336564.db2.gz QYOHECGWBGSUPC-NZSAHSFTSA-N 1 3 337.552 3.122 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001479980883 1392514548 /nfs/dbraw/zinc/51/45/48/1392514548.db2.gz KLEOIPUSYUWPLG-DSQZMVHQSA-N 1 3 347.547 3.186 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189624 1392619076 /nfs/dbraw/zinc/61/90/76/1392619076.db2.gz PYQBDHCDKDMAFA-HWUNFHLVSA-N 1 3 344.503 3.012 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001480189624 1392619077 /nfs/dbraw/zinc/61/90/77/1392619077.db2.gz PYQBDHCDKDMAFA-HWUNFHLVSA-N 1 3 344.503 3.012 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001480697897 1392861779 /nfs/dbraw/zinc/86/17/79/1392861779.db2.gz JAGAYOFJQXVOJZ-OSFIAYCASA-N 1 3 335.536 3.234 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)[C@@H](C)c1cccc(Cl)c1 ZINC001481018544 1393094657 /nfs/dbraw/zinc/09/46/57/1393094657.db2.gz BSWPIYNYHWYSTN-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@@H](C)c1cccc(Cl)c1 ZINC001481018544 1393094662 /nfs/dbraw/zinc/09/46/62/1393094662.db2.gz BSWPIYNYHWYSTN-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001481337052 1393166543 /nfs/dbraw/zinc/16/65/43/1393166543.db2.gz ZDDXAKFIBOUZOD-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001482000691 1394660043 /nfs/dbraw/zinc/66/00/43/1394660043.db2.gz RNJAEWBRKRRMQP-GOSISDBHSA-N 1 3 339.568 3.371 10 0 EGAEHO CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001482020404 1394677188 /nfs/dbraw/zinc/67/71/88/1394677188.db2.gz DPTUZLNKWWLDLS-BRWVUGGUSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001482029627 1394688522 /nfs/dbraw/zinc/68/85/22/1394688522.db2.gz MCLJRLVBYMDGTR-IBGZPJMESA-N 1 3 331.504 3.065 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H]1CNCc1ccccc1F)[NH+](CC)CC ZINC001482062289 1394723527 /nfs/dbraw/zinc/72/35/27/1394723527.db2.gz IKJMGXLMXDJNHJ-MJGOQNOKSA-N 1 3 349.494 3.027 10 0 EGAEHO CCCCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001483967192 1395167338 /nfs/dbraw/zinc/16/73/38/1395167338.db2.gz KFUXKKGLZKXYRR-GOSISDBHSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC001484161679 1395295925 /nfs/dbraw/zinc/29/59/25/1395295925.db2.gz SXWUHPUXBQPDDS-CTNGQTDRSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCCC2)C1 ZINC001484161679 1395295927 /nfs/dbraw/zinc/29/59/27/1395295927.db2.gz SXWUHPUXBQPDDS-CTNGQTDRSA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001484618165 1395452699 /nfs/dbraw/zinc/45/26/99/1395452699.db2.gz INMUCHAMORRDRR-OBNUAKFSSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001485214238 1395709666 /nfs/dbraw/zinc/70/96/66/1395709666.db2.gz DQDIFJUHRCPRMG-CABCVRRESA-N 1 3 334.508 3.104 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC001486090134 1396176688 /nfs/dbraw/zinc/17/66/88/1396176688.db2.gz FQNDUGLHHDGMSA-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC/C=C\c1ccccc1 ZINC001499955684 1396185356 /nfs/dbraw/zinc/18/53/56/1396185356.db2.gz WMQYTWGIXRZNJR-HXKWKUIBSA-N 1 3 343.515 3.011 10 0 EGAEHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699000930 1406811236 /nfs/dbraw/zinc/81/12/36/1406811236.db2.gz GZVQJNLFBVJUOM-ICSRJNTNSA-N 1 3 345.531 3.006 10 0 EGAEHO CC[N@H+](CC1CCCC1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001505400798 1396288665 /nfs/dbraw/zinc/28/86/65/1396288665.db2.gz CMHTUVPEZNEQQH-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001505400798 1396288668 /nfs/dbraw/zinc/28/86/68/1396288668.db2.gz CMHTUVPEZNEQQH-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001494083062 1396357889 /nfs/dbraw/zinc/35/78/89/1396357889.db2.gz LUNMUVQYZKUFEU-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001494083062 1396357895 /nfs/dbraw/zinc/35/78/95/1396357895.db2.gz LUNMUVQYZKUFEU-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1=CCCCC1)N1CCCCCC1 ZINC001495751563 1396555681 /nfs/dbraw/zinc/55/56/81/1396555681.db2.gz CXELRKAREUHMIZ-QZTJIDSGSA-N 1 3 335.536 3.093 10 0 EGAEHO C[C@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082763 1396597707 /nfs/dbraw/zinc/59/77/07/1396597707.db2.gz UCNMRZWWAMPWTO-INMULRNOSA-N 1 3 343.515 3.011 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCCC1 ZINC001497278444 1396744350 /nfs/dbraw/zinc/74/43/50/1396744350.db2.gz WMBCHWDVOZCEJI-IEBWSBKVSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001497989486 1396904118 /nfs/dbraw/zinc/90/41/18/1396904118.db2.gz BMFAGCKJYWQXBZ-MRXNPFEDSA-N 1 3 343.515 3.036 10 0 EGAEHO C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC001497991344 1396905818 /nfs/dbraw/zinc/90/58/18/1396905818.db2.gz YYQWMOLCMFNNSU-QGZVFWFLSA-N 1 3 345.531 3.427 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001689146796 1396948070 /nfs/dbraw/zinc/94/80/70/1396948070.db2.gz NOIZVCMWXUNTLE-MISYRCLQSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001689146796 1396948078 /nfs/dbraw/zinc/94/80/78/1396948078.db2.gz NOIZVCMWXUNTLE-MISYRCLQSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1C(C)C ZINC001689149531 1396949492 /nfs/dbraw/zinc/94/94/92/1396949492.db2.gz BUDVSULQZJZMFY-HAGHYFMRSA-N 1 3 349.563 3.076 10 0 EGAEHO CCCCCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1C(C)C ZINC001689149531 1396949496 /nfs/dbraw/zinc/94/94/96/1396949496.db2.gz BUDVSULQZJZMFY-HAGHYFMRSA-N 1 3 349.563 3.076 10 0 EGAEHO CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001498454223 1396999271 /nfs/dbraw/zinc/99/92/71/1396999271.db2.gz AVDKOQCCROUIKG-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001498454223 1396999275 /nfs/dbraw/zinc/99/92/75/1396999275.db2.gz AVDKOQCCROUIKG-YLJYHZDGSA-N 1 3 345.531 3.060 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1)CC(C)(C)C ZINC001689352949 1403683848 /nfs/dbraw/zinc/68/38/48/1403683848.db2.gz ZXGMCEXAWIDZHU-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CC1)CC(C)(C)C ZINC001689352949 1403683852 /nfs/dbraw/zinc/68/38/52/1403683852.db2.gz ZXGMCEXAWIDZHU-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362858 1403699250 /nfs/dbraw/zinc/69/92/50/1403699250.db2.gz IPJZRYWRPCXUKM-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)CC(C)(C)C1 ZINC001689362858 1403699253 /nfs/dbraw/zinc/69/92/53/1403699253.db2.gz IPJZRYWRPCXUKM-DLBZAZTESA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001689891200 1404187441 /nfs/dbraw/zinc/18/74/41/1404187441.db2.gz SQNBVYYWPLNFNB-CXOXVUTBSA-N 1 3 343.515 3.012 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001689891200 1404187448 /nfs/dbraw/zinc/18/74/48/1404187448.db2.gz SQNBVYYWPLNFNB-CXOXVUTBSA-N 1 3 343.515 3.012 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123091 1404317297 /nfs/dbraw/zinc/31/72/97/1404317297.db2.gz IPEXCDCVOLQSMC-MOPGFXCFSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394381 1404537173 /nfs/dbraw/zinc/53/71/73/1404537173.db2.gz YRKLAXFXRVQCNO-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001690394381 1404537177 /nfs/dbraw/zinc/53/71/77/1404537177.db2.gz YRKLAXFXRVQCNO-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)ccc2ccccc21)N(C)C ZINC001690638014 1404670258 /nfs/dbraw/zinc/67/02/58/1404670258.db2.gz AWYYOFNJVSIZBB-OXJNMPFZSA-N 1 3 341.499 3.083 10 0 EGAEHO CC(C)(C)[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)N1CCCC1 ZINC001725741406 1426417265 /nfs/dbraw/zinc/41/72/65/1426417265.db2.gz BVJXTUJPXCIXPU-GOSISDBHSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677657 1405411848 /nfs/dbraw/zinc/41/18/48/1405411848.db2.gz FOLDHUJFSXETDH-RTBURBONSA-N 1 3 349.563 3.076 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C)N1CCCC1 ZINC001691765807 1405478840 /nfs/dbraw/zinc/47/88/40/1405478840.db2.gz ZIGUJVBJAMDHGI-HOJAQTOUSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H]1C)N1CCCC1 ZINC001691765807 1405478841 /nfs/dbraw/zinc/47/88/41/1405478841.db2.gz ZIGUJVBJAMDHGI-HOJAQTOUSA-N 1 3 349.563 3.266 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773546 1405484784 /nfs/dbraw/zinc/48/47/84/1405484784.db2.gz YNTBLWNNBSZXAP-XLIONFOSSA-N 1 3 345.531 3.309 10 0 EGAEHO CCC[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001691796761 1405507975 /nfs/dbraw/zinc/50/79/75/1405507975.db2.gz NMBGNRSTZMTOLO-HKUYNNGSSA-N 1 3 331.504 3.108 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C/C=C\c1ccccc1 ZINC001692005006 1405722498 /nfs/dbraw/zinc/72/24/98/1405722498.db2.gz PFRPNYBQDBFZPW-MYPZJPOHSA-N 1 3 343.515 3.011 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001692132559 1405789958 /nfs/dbraw/zinc/78/99/58/1405789958.db2.gz ZQVVANIRGBGLBY-GOSISDBHSA-N 1 3 325.541 3.125 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001692329389 1405947646 /nfs/dbraw/zinc/94/76/46/1405947646.db2.gz IBYSJZPWLDGPON-CHYADLBTSA-N 1 3 332.492 3.059 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698553859 1406150932 /nfs/dbraw/zinc/15/09/32/1406150932.db2.gz QIYIBQLADJLJMC-ROUKRRSUSA-N 1 3 343.515 3.299 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001698553859 1406150938 /nfs/dbraw/zinc/15/09/38/1406150938.db2.gz QIYIBQLADJLJMC-ROUKRRSUSA-N 1 3 343.515 3.299 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570420 1406174411 /nfs/dbraw/zinc/17/44/11/1406174411.db2.gz UKCRBMISUQDIGD-ZWKOTPCHSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570420 1406174414 /nfs/dbraw/zinc/17/44/14/1406174414.db2.gz UKCRBMISUQDIGD-ZWKOTPCHSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001698607691 1406236218 /nfs/dbraw/zinc/23/62/18/1406236218.db2.gz BYGSTYDJWGZRHA-SFHVURJKSA-N 1 3 335.536 3.236 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1 ZINC001732026031 1428244554 /nfs/dbraw/zinc/24/45/54/1428244554.db2.gz GSTDRRMNGQEHHQ-HXUWFJFHSA-N 1 3 343.515 3.274 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001732050135 1428289009 /nfs/dbraw/zinc/28/90/09/1428289009.db2.gz QFDKBFUZAWUENS-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001732050135 1428289011 /nfs/dbraw/zinc/28/90/11/1428289011.db2.gz QFDKBFUZAWUENS-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN(CC[NH2+]CCCC(C)C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001699204611 1412572991 /nfs/dbraw/zinc/57/29/91/1412572991.db2.gz PKGNRWAYROLORF-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC001699537223 1412911983 /nfs/dbraw/zinc/91/19/83/1412911983.db2.gz FDDVGWRTVTXVJL-KRWDZBQOSA-N 1 3 348.878 3.195 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001699606902 1412970454 /nfs/dbraw/zinc/97/04/54/1412970454.db2.gz OPZXDQUFXHOSOC-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](C)C[N@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001699684975 1413082394 /nfs/dbraw/zinc/08/23/94/1413082394.db2.gz ZOFLPNDQLIUQKE-INIZCTEOSA-N 1 3 348.535 3.448 10 0 EGAEHO CC[C@H](C)C[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001699684975 1413082397 /nfs/dbraw/zinc/08/23/97/1413082397.db2.gz ZOFLPNDQLIUQKE-INIZCTEOSA-N 1 3 348.535 3.448 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001699732574 1413144568 /nfs/dbraw/zinc/14/45/68/1413144568.db2.gz HFJQFKKGWGDULE-ZGKJDNBHSA-N 1 3 335.536 3.186 10 0 EGAEHO CN(CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1)CC(C)(C)C ZINC001699773550 1413181569 /nfs/dbraw/zinc/18/15/69/1413181569.db2.gz XGMDOUQDTBAVRE-UHFFFAOYSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCC1 ZINC001699796101 1413205064 /nfs/dbraw/zinc/20/50/64/1413205064.db2.gz LJVFAJZJNRZNRN-WOJBJXKFSA-N 1 3 349.563 3.480 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001700228813 1413685735 /nfs/dbraw/zinc/68/57/35/1413685735.db2.gz GMRJUMXKQXCTOG-QUCCMNQESA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001700228813 1413685738 /nfs/dbraw/zinc/68/57/38/1413685738.db2.gz GMRJUMXKQXCTOG-QUCCMNQESA-N 1 3 337.552 3.077 10 0 EGAEHO CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001700540266 1414207516 /nfs/dbraw/zinc/20/75/16/1414207516.db2.gz ZRGAPHWCBRQCIR-ZEVQVBBLSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC001700873591 1414527332 /nfs/dbraw/zinc/52/73/32/1414527332.db2.gz NJMSXEQODKNHHX-UFYCRDLUSA-N 1 3 347.547 3.045 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001713240278 1417825898 /nfs/dbraw/zinc/82/58/98/1417825898.db2.gz GHGSIYRAOQJPHC-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001713400173 1418022034 /nfs/dbraw/zinc/02/20/34/1418022034.db2.gz BPIASALVIYZKGJ-KRWDZBQOSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001713400173 1418022038 /nfs/dbraw/zinc/02/20/38/1418022038.db2.gz BPIASALVIYZKGJ-KRWDZBQOSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001713666806 1418422607 /nfs/dbraw/zinc/42/26/07/1418422607.db2.gz DNGCFXPCCQHJFU-KRWDZBQOSA-N 1 3 341.499 3.289 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001713792258 1418610329 /nfs/dbraw/zinc/61/03/29/1418610329.db2.gz VVTOCOXBOGYQML-LSLCWXNRSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001713792258 1418610330 /nfs/dbraw/zinc/61/03/30/1418610330.db2.gz VVTOCOXBOGYQML-LSLCWXNRSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714003081 1418782463 /nfs/dbraw/zinc/78/24/63/1418782463.db2.gz AGAGZAJXBPOJTH-MSOLQXFVSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714003081 1418782465 /nfs/dbraw/zinc/78/24/65/1418782465.db2.gz AGAGZAJXBPOJTH-MSOLQXFVSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001733198859 1429301383 /nfs/dbraw/zinc/30/13/83/1429301383.db2.gz MSIUMSKOADSZDD-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCCC1)N(C)C ZINC001714748495 1419492765 /nfs/dbraw/zinc/49/27/65/1419492765.db2.gz HSNNKMSMOCMTIS-AEFFLSMTSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001714816188 1419526983 /nfs/dbraw/zinc/52/69/83/1419526983.db2.gz OSZMDKBIPHWGFS-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001714910108 1419655368 /nfs/dbraw/zinc/65/53/68/1419655368.db2.gz SSPTUQMWAODMFR-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001714910108 1419655369 /nfs/dbraw/zinc/65/53/69/1419655369.db2.gz SSPTUQMWAODMFR-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001715062648 1419801239 /nfs/dbraw/zinc/80/12/39/1419801239.db2.gz HTSUYARINGGOOT-RBUKOAKNSA-N 1 3 347.547 3.309 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001715072259 1419807056 /nfs/dbraw/zinc/80/70/56/1419807056.db2.gz UNTMHXRSFBWFIE-CRAIPNDOSA-N 1 3 349.494 3.246 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001715344004 1420046116 /nfs/dbraw/zinc/04/61/16/1420046116.db2.gz VSBVNRYJQRBTJQ-VQIMIIECSA-N 1 3 347.547 3.261 10 0 EGAEHO CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CCCCC1 ZINC001715404421 1420102955 /nfs/dbraw/zinc/10/29/55/1420102955.db2.gz KNLLOYUMQTUIAP-MOPGFXCFSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001715464258 1420143977 /nfs/dbraw/zinc/14/39/77/1420143977.db2.gz YVTWFLKLQSXUCR-SJORKVTESA-N 1 3 337.552 3.124 10 0 EGAEHO CCN(CC[NH2+]CC[C@H]1CCC[C@@H](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001715737842 1420319186 /nfs/dbraw/zinc/31/91/86/1420319186.db2.gz JKYSXGVCGOYEOO-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]([NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1)c1cccc(F)c1 ZINC001733256081 1429407220 /nfs/dbraw/zinc/40/72/20/1429407220.db2.gz PCWDYBZOVQKVJC-OAHLLOKOSA-N 1 3 349.494 3.103 10 0 EGAEHO CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001716045631 1420508828 /nfs/dbraw/zinc/50/88/28/1420508828.db2.gz RGKZYSVZVRBDEP-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001716045631 1420508831 /nfs/dbraw/zinc/50/88/31/1420508831.db2.gz RGKZYSVZVRBDEP-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001716767757 1420912984 /nfs/dbraw/zinc/91/29/84/1420912984.db2.gz PMYOPNVDOJTNSM-RLWBPELLSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001716887312 1421010861 /nfs/dbraw/zinc/01/08/61/1421010861.db2.gz IJRWBZLLAUTTEK-GFOMBABLSA-N 1 3 337.552 3.147 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001716972339 1421057666 /nfs/dbraw/zinc/05/76/66/1421057666.db2.gz ZOCPUSDDIGAKDR-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111361 1421114923 /nfs/dbraw/zinc/11/49/23/1421114923.db2.gz QWWAORPXTLDQBH-PKOBYXMFSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC1([NH2+]CCC2CCCC2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001717242260 1421210942 /nfs/dbraw/zinc/21/09/42/1421210942.db2.gz RIDARAOSVDRHIQ-UHFFFAOYSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001717301419 1421243612 /nfs/dbraw/zinc/24/36/12/1421243612.db2.gz PJVYBORISGSTTJ-DKFQHHCZSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001717332290 1421267043 /nfs/dbraw/zinc/26/70/43/1421267043.db2.gz SKXBSXGDYIRCQL-ZWKOTPCHSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001717332290 1421267046 /nfs/dbraw/zinc/26/70/46/1421267046.db2.gz SKXBSXGDYIRCQL-ZWKOTPCHSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001717332287 1421267554 /nfs/dbraw/zinc/26/75/54/1421267554.db2.gz SKXBSXGDYIRCQL-MSOLQXFVSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001717332287 1421267555 /nfs/dbraw/zinc/26/75/55/1421267555.db2.gz SKXBSXGDYIRCQL-MSOLQXFVSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001733295741 1429477988 /nfs/dbraw/zinc/47/79/88/1429477988.db2.gz BSIHFMKASATCLO-NRFANRHFSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001733295741 1429477990 /nfs/dbraw/zinc/47/79/90/1429477990.db2.gz BSIHFMKASATCLO-NRFANRHFSA-N 1 3 347.547 3.143 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001733300236 1429485244 /nfs/dbraw/zinc/48/52/44/1429485244.db2.gz LPDBVNFHVRWESX-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001733300236 1429485245 /nfs/dbraw/zinc/48/52/45/1429485245.db2.gz LPDBVNFHVRWESX-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001717952337 1421723174 /nfs/dbraw/zinc/72/31/74/1421723174.db2.gz TUQGBZUXPFPWCB-OALUTQOASA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CCN(C)[C@@H](C)c1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001717952337 1421723175 /nfs/dbraw/zinc/72/31/75/1421723175.db2.gz TUQGBZUXPFPWCB-OALUTQOASA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)CCC[NH+]1CCC(C2(NC(=O)CN(C)C(C)C)CC2)CC1 ZINC001718004389 1421771108 /nfs/dbraw/zinc/77/11/08/1421771108.db2.gz PUOMBNRLPWKHGD-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C)(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001733451296 1429663666 /nfs/dbraw/zinc/66/36/66/1429663666.db2.gz IWIDYHGLTOSDGI-UHFFFAOYSA-N 1 3 337.552 3.149 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CCCC2)C3)CCC1 ZINC001724501871 1424878246 /nfs/dbraw/zinc/87/82/46/1424878246.db2.gz PIKSDZZMILBTQG-OTWHNJEPSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC2CCCC2)C3)CCC1 ZINC001724501871 1424878252 /nfs/dbraw/zinc/87/82/52/1424878252.db2.gz PIKSDZZMILBTQG-OTWHNJEPSA-N 1 3 347.547 3.020 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001724740121 1425102672 /nfs/dbraw/zinc/10/26/72/1425102672.db2.gz FMXCTRWSOIGLQQ-FQEVSTJZSA-N 1 3 345.531 3.408 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001724740121 1425102676 /nfs/dbraw/zinc/10/26/76/1425102676.db2.gz FMXCTRWSOIGLQQ-FQEVSTJZSA-N 1 3 345.531 3.408 10 0 EGAEHO CCCCC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001724882915 1425264597 /nfs/dbraw/zinc/26/45/97/1425264597.db2.gz DYCCIJLLGZWUOZ-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC001724922167 1425306934 /nfs/dbraw/zinc/30/69/34/1425306934.db2.gz CZZPSLSIFQSTGG-UHFFFAOYSA-N 1 3 345.531 3.396 10 0 EGAEHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CCC(C)(C)C)C2 ZINC001724922167 1425306939 /nfs/dbraw/zinc/30/69/39/1425306939.db2.gz CZZPSLSIFQSTGG-UHFFFAOYSA-N 1 3 345.531 3.396 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725007208 1425421453 /nfs/dbraw/zinc/42/14/53/1425421453.db2.gz OQHLWCABDUQZID-UWAMSTNLSA-N 1 3 341.515 3.040 10 0 EGAEHO CC(C)CC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001725226691 1425795137 /nfs/dbraw/zinc/79/51/37/1425795137.db2.gz CTCVOYFXGRBSFN-HDICACEKSA-N 1 3 337.552 3.314 10 0 EGAEHO CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001725250992 1425871135 /nfs/dbraw/zinc/87/11/35/1425871135.db2.gz YJFJGUNRGDPQKW-TYLRKXQCSA-N 1 3 335.536 3.042 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001725412895 1426057378 /nfs/dbraw/zinc/05/73/78/1426057378.db2.gz LNEAXWNFLIQJJI-HOTGVXAUSA-N 1 3 342.487 3.205 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)CN(C)C1CCC1 ZINC001725728269 1426394022 /nfs/dbraw/zinc/39/40/22/1426394022.db2.gz NXHBBVHKEKHWLO-SFHVURJKSA-N 1 3 345.531 3.401 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)CN(C)C1CCC1 ZINC001725728269 1426394026 /nfs/dbraw/zinc/39/40/26/1426394026.db2.gz NXHBBVHKEKHWLO-SFHVURJKSA-N 1 3 345.531 3.401 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@@H+]([C@@H](CC)c2ccccc2)CC1 ZINC001725834110 1426512781 /nfs/dbraw/zinc/51/27/81/1426512781.db2.gz PLLXGNANCLSNIE-FQEVSTJZSA-N 1 3 343.515 3.228 10 0 EGAEHO CCCN(C)CC(=O)NCC1=CC[N@H+]([C@@H](CC)c2ccccc2)CC1 ZINC001725834110 1426512784 /nfs/dbraw/zinc/51/27/84/1426512784.db2.gz PLLXGNANCLSNIE-FQEVSTJZSA-N 1 3 343.515 3.228 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC001731751320 1427846634 /nfs/dbraw/zinc/84/66/34/1427846634.db2.gz VMKFCVGNZOIIAH-LJQANCHMSA-N 1 3 343.515 3.032 10 0 EGAEHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC001731751320 1427846641 /nfs/dbraw/zinc/84/66/41/1427846641.db2.gz VMKFCVGNZOIIAH-LJQANCHMSA-N 1 3 343.515 3.032 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837914 1428055544 /nfs/dbraw/zinc/05/55/44/1428055544.db2.gz IVLFPMDPZRMDRZ-XJDXJNMNSA-N 1 3 343.515 3.299 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001731837914 1428055547 /nfs/dbraw/zinc/05/55/47/1428055547.db2.gz IVLFPMDPZRMDRZ-XJDXJNMNSA-N 1 3 343.515 3.299 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001733682324 1429894415 /nfs/dbraw/zinc/89/44/15/1429894415.db2.gz GNICYIYGDYLVTM-LPHOPBHVSA-N 1 3 349.494 3.187 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001733691529 1429907875 /nfs/dbraw/zinc/90/78/75/1429907875.db2.gz IYRYQURQRRBQAX-WAAHFUDESA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@@H](c1ccccc1F)N1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877441 1437704605 /nfs/dbraw/zinc/70/46/05/1437704605.db2.gz YYZAKWBGLVKVHN-YJBOKZPZSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262030 1437979781 /nfs/dbraw/zinc/97/97/81/1437979781.db2.gz HQUCFFFVSHHCHP-PKOBYXMFSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[NH+](CC)CCn1c(CNC)nc2cc(C(F)(F)F)ccc21 ZINC000040405724 213299120 /nfs/dbraw/zinc/29/91/20/213299120.db2.gz BUEIIZOFSFPSQP-UHFFFAOYSA-N 1 3 328.382 3.116 10 0 EGAEHO CCCN(C(=O)CC[C@@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000193301681 240098791 /nfs/dbraw/zinc/09/87/91/240098791.db2.gz VENSOCLBRHWLJY-MJGOQNOKSA-N 1 3 331.504 3.017 10 0 EGAEHO Cc1ccc(CNCc2ccc(CN3CCC[N@@H+](C)CC3)cc2)o1 ZINC000078553018 217073940 /nfs/dbraw/zinc/07/39/40/217073940.db2.gz WBNGUMKVBCMDCG-UHFFFAOYSA-N 1 3 327.472 3.015 10 0 EGAEHO Cc1ccc(CNCc2ccc(CN3CCC[N@H+](C)CC3)cc2)o1 ZINC000078553018 217073944 /nfs/dbraw/zinc/07/39/44/217073944.db2.gz WBNGUMKVBCMDCG-UHFFFAOYSA-N 1 3 327.472 3.015 10 0 EGAEHO Cc1ccc(CNCc2ccc(C[N@H+]3CCCN(C)CC3)cc2)o1 ZINC000078553018 217073948 /nfs/dbraw/zinc/07/39/48/217073948.db2.gz WBNGUMKVBCMDCG-UHFFFAOYSA-N 1 3 327.472 3.015 10 0 EGAEHO Cc1ccc(CNCc2ccc(C[N@@H+]3CCCN(C)CC3)cc2)o1 ZINC000078553018 217073952 /nfs/dbraw/zinc/07/39/52/217073952.db2.gz WBNGUMKVBCMDCG-UHFFFAOYSA-N 1 3 327.472 3.015 10 0 EGAEHO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000347917514 141216189 /nfs/dbraw/zinc/21/61/89/141216189.db2.gz BOWIQSDWJVRISH-FQEVSTJZSA-N 1 3 343.515 3.085 10 0 EGAEHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000347917514 141216190 /nfs/dbraw/zinc/21/61/90/141216190.db2.gz BOWIQSDWJVRISH-FQEVSTJZSA-N 1 3 343.515 3.085 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000165998929 286198402 /nfs/dbraw/zinc/19/84/02/286198402.db2.gz KPCUSVIOECGDFL-PKOBYXMFSA-N 1 3 334.504 3.464 10 0 EGAEHO O[C@H](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000311193315 154147233 /nfs/dbraw/zinc/14/72/33/154147233.db2.gz FHMWNJMNZPDFSR-BHIFYINESA-N 1 3 336.479 3.174 10 0 EGAEHO O[C@H](CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000311193315 154147237 /nfs/dbraw/zinc/14/72/37/154147237.db2.gz FHMWNJMNZPDFSR-BHIFYINESA-N 1 3 336.479 3.174 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CCOCC1 ZINC000248415561 163002679 /nfs/dbraw/zinc/00/26/79/163002679.db2.gz OEZASGMLTOSAMM-NASSWSRMSA-N 1 3 328.500 3.302 10 0 EGAEHO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000248836510 163037974 /nfs/dbraw/zinc/03/79/74/163037974.db2.gz NDSRSEUAHLMYCC-ZAAXVRCTSA-N 1 3 332.488 3.235 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(CC)CC ZINC000344225399 164130667 /nfs/dbraw/zinc/13/06/67/164130667.db2.gz BULIRVPTKGCHLA-LJQANCHMSA-N 1 3 331.504 3.019 10 0 EGAEHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352082147 165225622 /nfs/dbraw/zinc/22/56/22/165225622.db2.gz HXYVITCLRRXEFL-OLMNPRSZSA-N 1 3 339.886 3.298 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367618210 168250730 /nfs/dbraw/zinc/25/07/30/168250730.db2.gz SERRPVOVJPRXRT-AQNXPRMDSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367618210 168250732 /nfs/dbraw/zinc/25/07/32/168250732.db2.gz SERRPVOVJPRXRT-AQNXPRMDSA-N 1 3 332.488 3.064 10 0 EGAEHO COCCCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000367618210 168250734 /nfs/dbraw/zinc/25/07/34/168250734.db2.gz SERRPVOVJPRXRT-AQNXPRMDSA-N 1 3 332.488 3.064 10 0 EGAEHO CN1CCC(C[NH2+]Cc2cc(Cl)cs2)(N2CCCCC2)CC1 ZINC000193129107 266013142 /nfs/dbraw/zinc/01/31/42/266013142.db2.gz WQFCOIXUCNSBNZ-UHFFFAOYSA-N 1 3 341.952 3.441 10 0 EGAEHO CCN1CCN(CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271882267 275238345 /nfs/dbraw/zinc/23/83/45/275238345.db2.gz SVOQDPBZMAAIQV-HXUWFJFHSA-N 1 3 333.495 3.284 10 0 EGAEHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124673501 307550458 /nfs/dbraw/zinc/55/04/58/307550458.db2.gz VXKLQJUBXHOUQO-RXVVDRJESA-N 1 3 341.543 3.460 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2cncn2c1 ZINC000414162653 309064147 /nfs/dbraw/zinc/06/41/47/309064147.db2.gz DOLRJEQAFMVVNI-LAUBAEHRSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cncn2c1 ZINC000414162653 309064148 /nfs/dbraw/zinc/06/41/48/309064148.db2.gz DOLRJEQAFMVVNI-LAUBAEHRSA-N 1 3 334.467 3.335 10 0 EGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cncn2c1 ZINC000414162653 309064149 /nfs/dbraw/zinc/06/41/49/309064149.db2.gz DOLRJEQAFMVVNI-LAUBAEHRSA-N 1 3 334.467 3.335 10 0 EGAEHO CC(C)[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000414523040 309086273 /nfs/dbraw/zinc/08/62/73/309086273.db2.gz HRGZGBKCCKECEU-RBUKOAKNSA-N 1 3 348.556 3.133 10 0 EGAEHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cs1 ZINC000397681204 308904644 /nfs/dbraw/zinc/90/46/44/308904644.db2.gz LQSSSBFDESERNM-UHFFFAOYSA-N 1 3 330.497 3.173 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414945386 309110552 /nfs/dbraw/zinc/11/05/52/309110552.db2.gz RKZOSMMISGKMBD-BZPMIXESSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CCNC[C@H]1C ZINC000414945386 309110553 /nfs/dbraw/zinc/11/05/53/309110553.db2.gz RKZOSMMISGKMBD-BZPMIXESSA-N 1 3 343.393 3.010 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000415930756 309149442 /nfs/dbraw/zinc/14/94/42/309149442.db2.gz KUUFUNULDOBVSW-QGZVFWFLSA-N 1 3 332.492 3.038 10 0 EGAEHO CN(C)[C@H](CC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000416144667 309160771 /nfs/dbraw/zinc/16/07/71/309160771.db2.gz OBKCCYNHLJLSKR-LJQANCHMSA-N 1 3 331.504 3.060 10 0 EGAEHO CN(C)[C@H](CC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000416144667 309160772 /nfs/dbraw/zinc/16/07/72/309160772.db2.gz OBKCCYNHLJLSKR-LJQANCHMSA-N 1 3 331.504 3.060 10 0 EGAEHO CSc1ccccc1NC(=O)CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420405806 309286760 /nfs/dbraw/zinc/28/67/60/309286760.db2.gz UBPGXKBNFGLPHQ-WBVHZDCISA-N 1 3 347.528 3.201 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000422923223 309376225 /nfs/dbraw/zinc/37/62/25/309376225.db2.gz VIYSGEAQWJRPPS-DINUWMAGSA-N 1 3 325.456 3.453 10 0 EGAEHO COC[C@@H](CCC[NH3+])NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422956795 309378147 /nfs/dbraw/zinc/37/81/47/309378147.db2.gz LZTAOOZMBOVPEP-OAHLLOKOSA-N 1 3 330.394 3.428 10 0 EGAEHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092673 309385655 /nfs/dbraw/zinc/38/56/55/309385655.db2.gz CXVXOWZRRIMWBP-WTQHGUCVSA-N 1 3 326.843 3.009 10 0 EGAEHO COc1cc2c(cc1F)CC[C@H]2N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423109559 309386497 /nfs/dbraw/zinc/38/64/97/309386497.db2.gz HRSHFIIIDIVXDU-KPZWWZAWSA-N 1 3 329.419 3.335 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423126059 309387207 /nfs/dbraw/zinc/38/72/07/309387207.db2.gz ANYHUGUSHUQJNX-NSHDSACASA-N 1 3 338.377 3.156 10 0 EGAEHO COc1ccc([C@@H](C)NCCC[NH2+]Cc2cccnc2)c(C)c1OC ZINC000423189617 309389645 /nfs/dbraw/zinc/38/96/45/309389645.db2.gz PTXJWSSMYKORQG-MRXNPFEDSA-N 1 3 343.471 3.238 10 0 EGAEHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCOC(F)(F)F)CC1 ZINC000449281554 310049687 /nfs/dbraw/zinc/04/96/87/310049687.db2.gz ZUOXVNBHFBWDAD-AWEZNQCLSA-N 1 3 330.394 3.208 10 0 EGAEHO CC(C)N(C)C[C@@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449337937 310054626 /nfs/dbraw/zinc/05/46/26/310054626.db2.gz QUVUAHMLPVHZNC-RTBURBONSA-N 1 3 331.548 3.400 10 0 EGAEHO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449734804 310083273 /nfs/dbraw/zinc/08/32/73/310083273.db2.gz DTRXHLMVQDLFRY-SRHPJPHMSA-N 1 3 328.500 3.038 10 0 EGAEHO C[C@@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)CN(C)C ZINC000453227054 310265364 /nfs/dbraw/zinc/26/53/64/310265364.db2.gz CGCSSCQTJQWDAI-HZMBPMFUSA-N 1 3 329.257 3.363 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H]1CCCCO1 ZINC000507484750 312074712 /nfs/dbraw/zinc/07/47/12/312074712.db2.gz KDQJNXSVSJUPRP-OUJGAGHGSA-N 1 3 328.500 3.444 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(Br)s2)[C@@H]2CCC[C@H]21 ZINC000513654395 312214803 /nfs/dbraw/zinc/21/48/03/312214803.db2.gz IFXMMDVJUMVLTH-RWMBFGLXSA-N 1 3 329.307 3.473 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H]2CCC[C@H]21 ZINC000513654395 312214805 /nfs/dbraw/zinc/21/48/05/312214805.db2.gz IFXMMDVJUMVLTH-RWMBFGLXSA-N 1 3 329.307 3.473 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(Br)s2)[C@@H]2CCC[C@H]21 ZINC000513654395 312214800 /nfs/dbraw/zinc/21/48/00/312214800.db2.gz IFXMMDVJUMVLTH-RWMBFGLXSA-N 1 3 329.307 3.473 10 0 EGAEHO CCCN(C)CC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000514054936 312223279 /nfs/dbraw/zinc/22/32/79/312223279.db2.gz YLOZMUNFMYXAHN-UHFFFAOYSA-N 1 3 345.531 3.137 10 0 EGAEHO CN(C)[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000514097870 312225201 /nfs/dbraw/zinc/22/52/01/312225201.db2.gz BXEVWUZBRLRTNG-NXWXRZEISA-N 1 3 335.923 3.405 10 0 EGAEHO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000540605542 314392393 /nfs/dbraw/zinc/39/23/93/314392393.db2.gz FAIFRJLYBWHIQQ-MRXNPFEDSA-N 1 3 329.488 3.379 10 0 EGAEHO CN1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000548392271 315003337 /nfs/dbraw/zinc/00/33/37/315003337.db2.gz OMEBRZBZCUOSHG-TZIWHRDSSA-N 1 3 343.515 3.203 10 0 EGAEHO CN1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000548392271 315003341 /nfs/dbraw/zinc/00/33/41/315003341.db2.gz OMEBRZBZCUOSHG-TZIWHRDSSA-N 1 3 343.515 3.203 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000552998273 315240412 /nfs/dbraw/zinc/24/04/12/315240412.db2.gz ZCCWIVIAEVFWJG-MSOLQXFVSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000552998273 315240413 /nfs/dbraw/zinc/24/04/13/315240413.db2.gz ZCCWIVIAEVFWJG-MSOLQXFVSA-N 1 3 343.515 3.019 10 0 EGAEHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CC(C)(C)C1 ZINC000563405456 316016578 /nfs/dbraw/zinc/01/65/78/316016578.db2.gz FMAAMCAJXWOUMH-UHFFFAOYSA-N 1 3 349.563 3.220 10 0 EGAEHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000570690055 317094361 /nfs/dbraw/zinc/09/43/61/317094361.db2.gz CTTLZGBSUUUMDG-MJGOQNOKSA-N 1 3 338.430 3.185 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000572129259 317296008 /nfs/dbraw/zinc/29/60/08/317296008.db2.gz NIIVVBBFASJNCF-CYBMUJFWSA-N 1 3 326.469 3.458 10 0 EGAEHO c1ccc2c(c1)O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CS2 ZINC000574811682 317638975 /nfs/dbraw/zinc/63/89/75/317638975.db2.gz NYLZCOQUUIPJNB-YYIAUSFCSA-N 1 3 332.513 3.440 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000579361891 325100434 /nfs/dbraw/zinc/10/04/34/325100434.db2.gz JAQYXSJPMMKVKY-VHDGCEQUSA-N 1 3 343.302 3.263 10 0 EGAEHO C[N@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000579361891 325100439 /nfs/dbraw/zinc/10/04/39/325100439.db2.gz JAQYXSJPMMKVKY-VHDGCEQUSA-N 1 3 343.302 3.263 10 0 EGAEHO CN(Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)C1CC1 ZINC000623496016 460581561 /nfs/dbraw/zinc/58/15/61/460581561.db2.gz DXJFUIDQBKMLJN-PMACEKPBSA-N 1 3 329.532 3.359 10 0 EGAEHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc(Cl)c1OC ZINC000131760138 454283221 /nfs/dbraw/zinc/28/32/21/454283221.db2.gz NVURTBFZYLFZLX-GOOCMWNKSA-N 1 3 338.879 3.462 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073102794 454394605 /nfs/dbraw/zinc/39/46/05/454394605.db2.gz HZLVDVRCJIEFNQ-GOSISDBHSA-N 1 3 342.487 3.016 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073102796 454394993 /nfs/dbraw/zinc/39/49/93/454394993.db2.gz HZLVDVRCJIEFNQ-SFHVURJKSA-N 1 3 342.487 3.016 10 0 EGAEHO C[C@H]1C[C@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@@H+]1C ZINC000123187404 454613424 /nfs/dbraw/zinc/61/34/24/454613424.db2.gz GZDHBRTYIICXEY-UONOGXRCSA-N 1 3 334.489 3.145 10 0 EGAEHO C[C@H]1C[C@H](N(C)CCCc2nc(-c3cccs3)no2)CC[N@H+]1C ZINC000123187404 454613425 /nfs/dbraw/zinc/61/34/25/454613425.db2.gz GZDHBRTYIICXEY-UONOGXRCSA-N 1 3 334.489 3.145 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000163238228 454833019 /nfs/dbraw/zinc/83/30/19/454833019.db2.gz MRCITWQARGGBEU-STQMWFEESA-N 1 3 328.403 3.289 10 0 EGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000167793286 454923874 /nfs/dbraw/zinc/92/38/74/454923874.db2.gz DHPNENKZVNUWOI-MRXNPFEDSA-N 1 3 337.467 3.101 10 0 EGAEHO C[C@H](NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425623 455047186 /nfs/dbraw/zinc/04/71/86/455047186.db2.gz OITKHJBRSZBBKR-MAUKXSAKSA-N 1 3 345.512 3.239 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCCSC2)CC1 ZINC000152442098 455119564 /nfs/dbraw/zinc/11/95/64/455119564.db2.gz KRUWDMPQINHJKP-SFHVURJKSA-N 1 3 333.545 3.204 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157222297 455174595 /nfs/dbraw/zinc/17/45/95/455174595.db2.gz VGYAZGOETIEMGJ-DNVCBOLYSA-N 1 3 340.458 3.234 10 0 EGAEHO CCOCCC[N@H+]1CC[C@@H](NCCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157222297 455174601 /nfs/dbraw/zinc/17/46/01/455174601.db2.gz VGYAZGOETIEMGJ-DNVCBOLYSA-N 1 3 340.458 3.234 10 0 EGAEHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000245718818 455364568 /nfs/dbraw/zinc/36/45/68/455364568.db2.gz OLNOIBMFDIAPQZ-DSLXNQLJSA-N 1 3 343.515 3.075 10 0 EGAEHO Cc1c([C@H](C)NCCCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269042616 455773589 /nfs/dbraw/zinc/77/35/89/455773589.db2.gz UIDDSZGCEBAORO-ZDUSSCGKSA-N 1 3 335.883 3.222 10 0 EGAEHO C[C@H](NC[C@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572610 455998966 /nfs/dbraw/zinc/99/89/66/455998966.db2.gz IODFXVFSXAKRGI-YUXAGFNASA-N 1 3 338.495 3.263 10 0 EGAEHO C[C@H](NC[C@H](CO)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272572610 455998968 /nfs/dbraw/zinc/99/89/68/455998968.db2.gz IODFXVFSXAKRGI-YUXAGFNASA-N 1 3 338.495 3.263 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000340477921 456485044 /nfs/dbraw/zinc/48/50/44/456485044.db2.gz XOJXWGGHRVCDCP-FQEVSTJZSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@H](Cn1cncn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000340465338 456476484 /nfs/dbraw/zinc/47/64/84/456476484.db2.gz IUAHSFTZVCEEDE-HXUWFJFHSA-N 1 3 341.503 3.223 10 0 EGAEHO C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496599 456531897 /nfs/dbraw/zinc/53/18/97/456531897.db2.gz RLPLHERXDRBMFD-BEFAXECRSA-N 1 3 342.487 3.089 10 0 EGAEHO CN1CCC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000348258111 456576108 /nfs/dbraw/zinc/57/61/08/456576108.db2.gz KCAOMVMNRRCJJZ-NHCUHLMSSA-N 1 3 341.543 3.330 10 0 EGAEHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337984124 456638393 /nfs/dbraw/zinc/63/83/93/456638393.db2.gz ATENYSAMIGOVAU-NHCUHLMSSA-N 1 3 328.500 3.312 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(CC)C2)c2ccccc21 ZINC000283199462 456734998 /nfs/dbraw/zinc/73/49/98/456734998.db2.gz LGAVMFXACUJPQP-LZQZEXGQSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199462 456735003 /nfs/dbraw/zinc/73/50/03/456735003.db2.gz LGAVMFXACUJPQP-LZQZEXGQSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@H]2CC[N@@H+](CC)C2)c2ccccc21 ZINC000283199462 456735011 /nfs/dbraw/zinc/73/50/11/456735011.db2.gz LGAVMFXACUJPQP-LZQZEXGQSA-N 1 3 330.472 3.100 10 0 EGAEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000341068199 456814662 /nfs/dbraw/zinc/81/46/62/456814662.db2.gz YUEFINMVKXRLEV-HDICACEKSA-N 1 3 343.515 3.275 10 0 EGAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000341068199 456814670 /nfs/dbraw/zinc/81/46/70/456814670.db2.gz YUEFINMVKXRLEV-HDICACEKSA-N 1 3 343.515 3.275 10 0 EGAEHO CSC1(CN[C@H](C)c2cnn(C3CCCC3)c2)CC[NH+](C)CC1 ZINC000353664342 456841797 /nfs/dbraw/zinc/84/17/97/456841797.db2.gz WQCGGBKFNLSOGS-OAHLLOKOSA-N 1 3 336.549 3.476 10 0 EGAEHO CSC1(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CCN(C)CC1 ZINC000353664342 456841801 /nfs/dbraw/zinc/84/18/01/456841801.db2.gz WQCGGBKFNLSOGS-OAHLLOKOSA-N 1 3 336.549 3.476 10 0 EGAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000397494355 457488365 /nfs/dbraw/zinc/48/83/65/457488365.db2.gz ACJXJNGBRQOCEZ-MRXNPFEDSA-N 1 3 330.497 3.426 10 0 EGAEHO C[C@@H]1CCCN(CCCc2nc(-c3cccs3)no2)[C@H]1CC[NH3+] ZINC000404440994 457544672 /nfs/dbraw/zinc/54/46/72/457544672.db2.gz URYSSDKSTNDVSL-KGLIPLIRSA-N 1 3 334.489 3.180 10 0 EGAEHO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1F)CN(C)C ZINC000425940671 457656247 /nfs/dbraw/zinc/65/62/47/457656247.db2.gz AGQFVOGNAPJKGY-RYUDHWBXSA-N 1 3 331.273 3.307 10 0 EGAEHO C[C@@H](CN[C@@H](C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000425940671 457656252 /nfs/dbraw/zinc/65/62/52/457656252.db2.gz AGQFVOGNAPJKGY-RYUDHWBXSA-N 1 3 331.273 3.307 10 0 EGAEHO Cc1cc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc(C)c1F ZINC000361344161 457700673 /nfs/dbraw/zinc/70/06/73/457700673.db2.gz CODNAYXCULONCP-INIZCTEOSA-N 1 3 349.494 3.036 10 0 EGAEHO CN(C)CCc1ccccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000443382359 457755711 /nfs/dbraw/zinc/75/57/11/457755711.db2.gz RLQYEORYWQDSTG-UHFFFAOYSA-N 1 3 346.519 3.177 10 0 EGAEHO CN(C)CCc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000443382359 457755715 /nfs/dbraw/zinc/75/57/15/457755715.db2.gz RLQYEORYWQDSTG-UHFFFAOYSA-N 1 3 346.519 3.177 10 0 EGAEHO CN(CCc1ccccn1)[C@@H]1CCC[N@H+](CCc2ccccn2)CC1 ZINC000411402351 457874575 /nfs/dbraw/zinc/87/45/75/457874575.db2.gz PSPOUOWOGDRGTM-OAQYLSRUSA-N 1 3 338.499 3.048 10 0 EGAEHO CN(CCc1ccccn1)[C@@H]1CCC[N@@H+](CCc2ccccn2)CC1 ZINC000411402351 457874579 /nfs/dbraw/zinc/87/45/79/457874579.db2.gz PSPOUOWOGDRGTM-OAQYLSRUSA-N 1 3 338.499 3.048 10 0 EGAEHO Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407291 457984626 /nfs/dbraw/zinc/98/46/26/457984626.db2.gz TZXOQYJIHIRXSG-MAUKXSAKSA-N 1 3 348.512 3.381 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@@H]2CCC[C@@H]21 ZINC000375836119 458087668 /nfs/dbraw/zinc/08/76/68/458087668.db2.gz BCLRLPAUIXREGX-SRVKXCTJSA-N 1 3 333.423 3.167 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@@H]2CCC[C@@H]21 ZINC000375836119 458087669 /nfs/dbraw/zinc/08/76/69/458087669.db2.gz BCLRLPAUIXREGX-SRVKXCTJSA-N 1 3 333.423 3.167 10 0 EGAEHO COCCC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(Br)cc1 ZINC000423453490 458435498 /nfs/dbraw/zinc/43/54/98/458435498.db2.gz XSOJJVNIQNINPF-ZOWXZIJZSA-N 1 3 329.282 3.242 10 0 EGAEHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc4cncn4c3)CC2)C1 ZINC000459663287 458440008 /nfs/dbraw/zinc/44/00/08/458440008.db2.gz WTVWMGNUIKHCSQ-QFBILLFUSA-N 1 3 326.488 3.467 10 0 EGAEHO C[C@H]1CN(C)C[C@@H]1NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682938 458959323 /nfs/dbraw/zinc/95/93/23/458959323.db2.gz KLINKZLOOSXYJR-NYUBLWNDSA-N 1 3 329.532 3.204 10 0 EGAEHO C[C@H]1CN(C)C[C@@H]1NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682938 458959328 /nfs/dbraw/zinc/95/93/28/458959328.db2.gz KLINKZLOOSXYJR-NYUBLWNDSA-N 1 3 329.532 3.204 10 0 EGAEHO CC[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000567794987 459168364 /nfs/dbraw/zinc/16/83/64/459168364.db2.gz SFTPCROAMWISBD-VMSMKEMKSA-N 1 3 341.543 3.423 10 0 EGAEHO CC[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000567794987 459168373 /nfs/dbraw/zinc/16/83/73/459168373.db2.gz SFTPCROAMWISBD-VMSMKEMKSA-N 1 3 341.543 3.423 10 0 EGAEHO C[C@@H](CSCCF)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000595043179 459226894 /nfs/dbraw/zinc/22/68/94/459226894.db2.gz IPZBJASBDUJCHR-HNNXBMFYSA-N 1 3 340.508 3.340 10 0 EGAEHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc2c1OCCO2 ZINC000534347265 459320892 /nfs/dbraw/zinc/32/08/92/459320892.db2.gz LOJKEGZTHGBMCA-UHFFFAOYSA-N 1 3 348.487 3.019 10 0 EGAEHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc2c1OCCO2 ZINC000534347265 459320895 /nfs/dbraw/zinc/32/08/95/459320895.db2.gz LOJKEGZTHGBMCA-UHFFFAOYSA-N 1 3 348.487 3.019 10 0 EGAEHO COc1cncc(/C=C\CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000583021356 459468455 /nfs/dbraw/zinc/46/84/55/459468455.db2.gz GQHPIYYNATZABM-VXJUPVOZSA-N 1 3 329.488 3.301 10 0 EGAEHO COc1cncc(/C=C\CC[N@H+]2CC[C@H](CN3CCCCC3)C2)c1 ZINC000583021356 459468458 /nfs/dbraw/zinc/46/84/58/459468458.db2.gz GQHPIYYNATZABM-VXJUPVOZSA-N 1 3 329.488 3.301 10 0 EGAEHO CC(C)(C)OC(=O)[C@H](CNC1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000596117816 459527101 /nfs/dbraw/zinc/52/71/01/459527101.db2.gz JSHGMUCNKHDWKH-GOSISDBHSA-N 1 3 336.520 3.208 10 0 EGAEHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000575935761 460037945 /nfs/dbraw/zinc/03/79/45/460037945.db2.gz CSMRQIIRRUQDFU-LJQANCHMSA-N 1 3 332.488 3.066 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCOC2CCOCC2)CC1 ZINC000625224273 460080030 /nfs/dbraw/zinc/08/00/30/460080030.db2.gz SAIHMSUNTDGWDL-GOSISDBHSA-N 1 3 338.536 3.159 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCOC2CCOCC2)CC1 ZINC000625224273 460080036 /nfs/dbraw/zinc/08/00/36/460080036.db2.gz SAIHMSUNTDGWDL-GOSISDBHSA-N 1 3 338.536 3.159 10 0 EGAEHO COc1cccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338129 460495419 /nfs/dbraw/zinc/49/54/19/460495419.db2.gz MIKXSOZIMFAMDP-UYAOXDASSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338129 460495426 /nfs/dbraw/zinc/49/54/26/460495426.db2.gz MIKXSOZIMFAMDP-UYAOXDASSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338129 460495432 /nfs/dbraw/zinc/49/54/32/460495432.db2.gz MIKXSOZIMFAMDP-UYAOXDASSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337409 460496883 /nfs/dbraw/zinc/49/68/83/460496883.db2.gz JBZZKNURCOIHQE-HKUYNNGSSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCCC1 ZINC000623337409 460496887 /nfs/dbraw/zinc/49/68/87/460496887.db2.gz JBZZKNURCOIHQE-HKUYNNGSSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N1CCCC1 ZINC000623337409 460496893 /nfs/dbraw/zinc/49/68/93/460496893.db2.gz JBZZKNURCOIHQE-HKUYNNGSSA-N 1 3 345.531 3.295 10 0 EGAEHO Cc1csc([C@@H](C)NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000623899900 460767809 /nfs/dbraw/zinc/76/78/09/460767809.db2.gz XECLNIGXNFSARY-MRXNPFEDSA-N 1 3 336.549 3.052 10 0 EGAEHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519928 460793205 /nfs/dbraw/zinc/79/32/05/460793205.db2.gz SGMPNFVURUMUPW-OPYAIIAOSA-N 1 3 349.478 3.243 10 0 EGAEHO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1 ZINC000629702351 460875636 /nfs/dbraw/zinc/87/56/36/460875636.db2.gz LXYSSUSYLMLGDW-KRWDZBQOSA-N 1 3 336.483 3.143 10 0 EGAEHO C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1 ZINC000629702351 460875641 /nfs/dbraw/zinc/87/56/41/460875641.db2.gz LXYSSUSYLMLGDW-KRWDZBQOSA-N 1 3 336.483 3.143 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCOc2ccccc2Cl)C1 ZINC000652360357 461154773 /nfs/dbraw/zinc/15/47/73/461154773.db2.gz FYUFYSUOEDEEPH-UWWQBHOKSA-N 1 3 338.879 3.080 10 0 EGAEHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000662279532 461162996 /nfs/dbraw/zinc/16/29/96/461162996.db2.gz AAHZMUCANQRAHX-ROUUACIJSA-N 1 3 338.492 3.136 10 0 EGAEHO Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293032 461170245 /nfs/dbraw/zinc/17/02/45/461170245.db2.gz IRLKLMFQBYPWLQ-MJGOQNOKSA-N 1 3 343.515 3.342 10 0 EGAEHO CCC[NH+](CCC)CCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662689185 461347965 /nfs/dbraw/zinc/34/79/65/461347965.db2.gz UOVSAMXPZBDBGK-LJQANCHMSA-N 1 3 347.503 3.188 10 0 EGAEHO CN(C)c1cc(Cl)cc(Cl)c1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824269 461478575 /nfs/dbraw/zinc/47/85/75/461478575.db2.gz HIGIQUPYHREJMI-BJHJDKERSA-N 1 3 330.303 3.489 10 0 EGAEHO CCCn1nc(C)c(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1C ZINC000647248969 461589649 /nfs/dbraw/zinc/58/96/49/461589649.db2.gz UMOAJMPZLOGYGB-CTNGQTDRSA-N 1 3 340.515 3.345 10 0 EGAEHO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000663369053 461594361 /nfs/dbraw/zinc/59/43/61/461594361.db2.gz VZAGIQZZZZJICZ-MOPGFXCFSA-N 1 3 330.516 3.285 10 0 EGAEHO C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660154145 461609097 /nfs/dbraw/zinc/60/90/97/461609097.db2.gz JGBDLQBAUNVOJA-WIYYLYMNSA-N 1 3 343.559 3.442 10 0 EGAEHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1O ZINC000647344751 461647498 /nfs/dbraw/zinc/64/74/98/461647498.db2.gz YMPKJINWQNQZKE-IPELMVKDSA-N 1 3 340.467 3.397 10 0 EGAEHO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647343735 461648392 /nfs/dbraw/zinc/64/83/92/461648392.db2.gz BCKSJQCFRXMRQR-AHRSYUTCSA-N 1 3 326.488 3.460 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663503091 461676609 /nfs/dbraw/zinc/67/66/09/461676609.db2.gz NMCLCVAVGFISGQ-UKRRQHHQSA-N 1 3 325.884 3.329 10 0 EGAEHO [NH3+]CC1(CCNCc2cc(Br)ccc2OC(F)F)CC1 ZINC000650713070 461907192 /nfs/dbraw/zinc/90/71/92/461907192.db2.gz DELDLNZEAWHQRM-UHFFFAOYSA-N 1 3 349.219 3.269 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1ccc(-c2cnn(C)c2)s1 ZINC000650720718 461912813 /nfs/dbraw/zinc/91/28/13/461912813.db2.gz ZKKIWPPLVMUGED-UHFFFAOYSA-N 1 3 326.469 3.158 10 0 EGAEHO Cc1ccc2nccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000664011860 461913012 /nfs/dbraw/zinc/91/30/12/461913012.db2.gz UGICVVDGZBPGIQ-UHFFFAOYSA-N 1 3 325.456 3.234 10 0 EGAEHO Cc1ccc2nccc(N3CCC([N@H+]4CCCOCC4)CC3)c2c1 ZINC000664011860 461913017 /nfs/dbraw/zinc/91/30/17/461913017.db2.gz UGICVVDGZBPGIQ-UHFFFAOYSA-N 1 3 325.456 3.234 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(C3CCC3)s2)C1 ZINC000650724080 461916857 /nfs/dbraw/zinc/91/68/57/461916857.db2.gz YBUYNMXRXPUXHK-PVAVHDDUSA-N 1 3 335.517 3.271 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc[nH]c(=O)c1 ZINC000639579012 462000356 /nfs/dbraw/zinc/00/03/56/462000356.db2.gz AJYHDFUVBPJBOL-IGOJGBNBSA-N 1 3 325.456 3.033 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc[nH]c(=O)c1 ZINC000639579012 462000362 /nfs/dbraw/zinc/00/03/62/462000362.db2.gz AJYHDFUVBPJBOL-IGOJGBNBSA-N 1 3 325.456 3.033 10 0 EGAEHO Cc1ccc2cc(CNC3CC[NH+](C4CCN(C)CC4)CC3)[nH]c2c1 ZINC000657337889 462056433 /nfs/dbraw/zinc/05/64/33/462056433.db2.gz KQKOOFNATPBBHF-UHFFFAOYSA-N 1 3 340.515 3.125 10 0 EGAEHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000648450087 462123538 /nfs/dbraw/zinc/12/35/38/462123538.db2.gz RSPYYFLYDREVNU-XMSQKQJNSA-N 1 3 341.543 3.156 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccc(F)cc3)cc2)C1 ZINC000657595405 462197117 /nfs/dbraw/zinc/19/71/17/462197117.db2.gz ICXOSTMXHUAPDS-WODVNSBQSA-N 1 3 340.442 3.195 10 0 EGAEHO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657597683 462199550 /nfs/dbraw/zinc/19/95/50/462199550.db2.gz WLGZZXYWYWNLBT-IIBYNOLFSA-N 1 3 342.458 3.113 10 0 EGAEHO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000651699114 462307951 /nfs/dbraw/zinc/30/79/51/462307951.db2.gz HMTJNUWAKKOUJR-UYAOXDASSA-N 1 3 331.504 3.036 10 0 EGAEHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2cnccc2o1 ZINC000657919962 462318614 /nfs/dbraw/zinc/31/86/14/462318614.db2.gz SKGDMMGWDBQBLY-BZUAXINKSA-N 1 3 331.460 3.368 10 0 EGAEHO CCc1cccc(CC)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665176419 462339938 /nfs/dbraw/zinc/33/99/38/462339938.db2.gz OPQOUIQBWQFNNM-INIZCTEOSA-N 1 3 348.535 3.205 10 0 EGAEHO CCc1cccc(CC)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665176419 462339940 /nfs/dbraw/zinc/33/99/40/462339940.db2.gz OPQOUIQBWQFNNM-INIZCTEOSA-N 1 3 348.535 3.205 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000658057167 462361020 /nfs/dbraw/zinc/36/10/20/462361020.db2.gz NODVTNJUFBGGDQ-FUHWJXTLSA-N 1 3 333.520 3.150 10 0 EGAEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC000658071094 462367658 /nfs/dbraw/zinc/36/76/58/462367658.db2.gz UEPDYYXCOYRHCS-AWEZNQCLSA-N 1 3 337.895 3.277 10 0 EGAEHO COc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1Br ZINC000665281289 462383492 /nfs/dbraw/zinc/38/34/92/462383492.db2.gz ZFIFGQVZGIWKND-SMDDNHRTSA-N 1 3 329.282 3.482 10 0 EGAEHO Cc1ccncc1CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000658127109 462396392 /nfs/dbraw/zinc/39/63/92/462396392.db2.gz RJDLEEIFXSCXDI-KRWDZBQOSA-N 1 3 327.472 3.224 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138789 462402666 /nfs/dbraw/zinc/40/26/66/462402666.db2.gz OFASBYYHRNACEZ-NHCUHLMSSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138789 462402671 /nfs/dbraw/zinc/40/26/71/462402671.db2.gz OFASBYYHRNACEZ-NHCUHLMSSA-N 1 3 339.483 3.135 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143181 462406461 /nfs/dbraw/zinc/40/64/61/462406461.db2.gz XIOABCVOYZHPQV-VLIAUNLRSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143181 462406467 /nfs/dbraw/zinc/40/64/67/462406467.db2.gz XIOABCVOYZHPQV-VLIAUNLRSA-N 1 3 346.421 3.382 10 0 EGAEHO C[C@@H](O)[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361145 462489651 /nfs/dbraw/zinc/48/96/51/462489651.db2.gz KWTAOAPDJWMGPB-CSODHUTKSA-N 1 3 342.483 3.400 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000154294450 533892699 /nfs/dbraw/zinc/89/26/99/533892699.db2.gz WZWYXGRDJBJCJA-KBRIMQKVSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000154294450 533892710 /nfs/dbraw/zinc/89/27/10/533892710.db2.gz WZWYXGRDJBJCJA-KBRIMQKVSA-N 1 3 344.421 3.023 10 0 EGAEHO COCC[C@@H](C)N1CCCC2(CCC[N@@H+]([C@H](C)CCOC)C2)C1 ZINC000351994857 547679204 /nfs/dbraw/zinc/67/92/04/547679204.db2.gz LPFKNHILVCMTLP-PWCSWUJKSA-N 1 3 326.525 3.014 10 0 EGAEHO COCC[C@@H](C)N1CCCC2(CCC[N@H+]([C@H](C)CCOC)C2)C1 ZINC000351994857 547679210 /nfs/dbraw/zinc/67/92/10/547679210.db2.gz LPFKNHILVCMTLP-PWCSWUJKSA-N 1 3 326.525 3.014 10 0 EGAEHO CC1CC[NH+](CCN2CCN(Cc3ccccc3)CC[C@H]2C)CC1 ZINC000676086193 549035677 /nfs/dbraw/zinc/03/56/77/549035677.db2.gz UTNPEOLZMREMOD-HXUWFJFHSA-N 1 3 329.532 3.315 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@H](c4ccccc4)C3)C2)CC1 ZINC000681976532 550056947 /nfs/dbraw/zinc/05/69/47/550056947.db2.gz XMJSASCVDPEZQK-ZCNNSNEGSA-N 1 3 327.516 3.081 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684730 576168719 /nfs/dbraw/zinc/16/87/19/576168719.db2.gz BDIQXGAGYDLFNY-AZUAARDMSA-N 1 3 331.479 3.035 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000235479491 1296184486 /nfs/dbraw/zinc/18/44/86/1296184486.db2.gz VSRGUFVTDASGHC-UKRRQHHQSA-N 1 3 325.294 3.312 10 0 EGAEHO FC(F)(F)COc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000237697048 1296258278 /nfs/dbraw/zinc/25/82/78/1296258278.db2.gz CKXZVLHHTPKBTR-CQSZACIVSA-N 1 3 328.378 3.202 10 0 EGAEHO C[C@@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659131 1297573216 /nfs/dbraw/zinc/57/32/16/1297573216.db2.gz IWXXWKQPKJYGLB-HOTGVXAUSA-N 1 3 339.524 3.273 10 0 EGAEHO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000886526093 1303487214 /nfs/dbraw/zinc/48/72/14/1303487214.db2.gz FDCDPLKFHRWVAD-JBINPLMMSA-N 1 3 330.516 3.426 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC000886617656 1303525472 /nfs/dbraw/zinc/52/54/72/1303525472.db2.gz VCNSTKIQDSCUIF-IRXDYDNUSA-N 1 3 347.469 3.067 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC000886617656 1303525476 /nfs/dbraw/zinc/52/54/76/1303525476.db2.gz VCNSTKIQDSCUIF-IRXDYDNUSA-N 1 3 347.469 3.067 10 0 EGAEHO Cc1ccc(C2=NO[C@H](C[NH2+][C@H]3CCN(C)C(C)(C)C3)C2)cc1C ZINC000895501641 1309375665 /nfs/dbraw/zinc/37/56/65/1309375665.db2.gz INXJYOHNIXXDQO-ROUUACIJSA-N 1 3 329.488 3.259 10 0 EGAEHO CN(Cc1ccccc1)C[C@H](C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000929237204 1328545556 /nfs/dbraw/zinc/54/55/56/1328545556.db2.gz IDYUPNCZTFUXJT-OAQYLSRUSA-N 1 3 338.495 3.359 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140840 1328693842 /nfs/dbraw/zinc/69/38/42/1328693842.db2.gz IIIQDNVECDGJIN-LSDHHAIUSA-N 1 3 331.287 3.489 10 0 EGAEHO CCCC[N@H+](C[C@H](OC)[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034351 1329034118 /nfs/dbraw/zinc/03/41/18/1329034118.db2.gz ROYAKBUCUNDAAF-WMZOPIPTSA-N 1 3 340.552 3.449 10 0 EGAEHO CCCC[N@@H+](C[C@H](OC)[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034351 1329034122 /nfs/dbraw/zinc/03/41/22/1329034122.db2.gz ROYAKBUCUNDAAF-WMZOPIPTSA-N 1 3 340.552 3.449 10 0 EGAEHO C[C@H]1CN(Cc2cncc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000923494739 1322761633 /nfs/dbraw/zinc/76/16/33/1322761633.db2.gz NYBSHUVFLYBXHL-LPHOPBHVSA-N 1 3 325.456 3.077 10 0 EGAEHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccns1 ZINC000924796503 1323165456 /nfs/dbraw/zinc/16/54/56/1323165456.db2.gz DDOIJVCGUJMLFE-KRWDZBQOSA-N 1 3 344.528 3.396 10 0 EGAEHO Cc1cccc(C)c1NC(=O)CCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309010 1329090297 /nfs/dbraw/zinc/09/02/97/1329090297.db2.gz PXCCUXZLJOTMDP-SFTDATJTSA-N 1 3 343.515 3.296 10 0 EGAEHO c1ccc2[nH]c(CCC[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)nc2c1 ZINC000925480409 1325168539 /nfs/dbraw/zinc/16/85/39/1325168539.db2.gz KAQNKKBJYVKCOX-SJORKVTESA-N 1 3 326.488 3.253 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000925524706 1325189924 /nfs/dbraw/zinc/18/99/24/1325189924.db2.gz YLXVDHBGEPFUFS-DOTOQJQBSA-N 1 3 330.451 3.050 10 0 EGAEHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925557571 1325208299 /nfs/dbraw/zinc/20/82/99/1325208299.db2.gz POZQKJKWNPWCBH-NJDAHSKKSA-N 1 3 343.515 3.280 10 0 EGAEHO Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)C2)cc1 ZINC000925562613 1325210073 /nfs/dbraw/zinc/21/00/73/1325210073.db2.gz IGCDIHYKUAOQFY-HBGVWJBISA-N 1 3 345.506 3.410 10 0 EGAEHO COC(=O)Nc1ccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925579928 1325219341 /nfs/dbraw/zinc/21/93/41/1325219341.db2.gz IQRNCIOXOOKKBM-OALUTQOASA-N 1 3 345.487 3.165 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000925605292 1325229530 /nfs/dbraw/zinc/22/95/30/1325229530.db2.gz DYDPMIUHCBFMBL-RBUKOAKNSA-N 1 3 346.515 3.378 10 0 EGAEHO CCN(CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)CCC(F)(F)F ZINC000925649708 1325247096 /nfs/dbraw/zinc/24/70/96/1325247096.db2.gz IBYJKLPJZAPTDT-HOTGVXAUSA-N 1 3 335.458 3.019 10 0 EGAEHO FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000925774777 1325293111 /nfs/dbraw/zinc/29/31/11/1325293111.db2.gz CIBPBRZRDMGGKC-SMDDNHRTSA-N 1 3 345.231 3.271 10 0 EGAEHO Cc1ccccc1C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000925790100 1325302045 /nfs/dbraw/zinc/30/20/45/1325302045.db2.gz DEYXBRNCHWUOLL-UXHICEINSA-N 1 3 328.500 3.064 10 0 EGAEHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)c(F)c1 ZINC000925810053 1325311762 /nfs/dbraw/zinc/31/17/62/1325311762.db2.gz UYOWRUSPAFZJOR-OAHLLOKOSA-N 1 3 345.437 3.221 10 0 EGAEHO CC[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1F ZINC000925818227 1325315301 /nfs/dbraw/zinc/31/53/01/1325315301.db2.gz SUAQFMKQCJNZPZ-NRFANRHFSA-N 1 3 341.474 3.472 10 0 EGAEHO Cc1nc2c(cccc2CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)o1 ZINC000925838765 1325322808 /nfs/dbraw/zinc/32/28/08/1325322808.db2.gz NXSUKPFYAXMEDT-ROUUACIJSA-N 1 3 327.472 3.437 10 0 EGAEHO Cc1ccc(NC(=O)C[C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)c(C)c1 ZINC000925842866 1325325073 /nfs/dbraw/zinc/32/50/73/1325325073.db2.gz OABQNAQKFWZFOM-YVWKXTFCSA-N 1 3 329.488 3.142 10 0 EGAEHO C[C@@H](C[NH2+][C@H]1CCCc2ncc(Br)cc21)CN(C)C ZINC000926473610 1325567210 /nfs/dbraw/zinc/56/72/10/1325567210.db2.gz MFIKWROSEWJWIF-FZMZJTMJSA-N 1 3 326.282 3.009 10 0 EGAEHO CC[C@@H](OCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000926652444 1327652009 /nfs/dbraw/zinc/65/20/09/1327652009.db2.gz SWAHHHXGZPZJIQ-OTYNDTSQSA-N 1 3 346.515 3.386 10 0 EGAEHO CC[C@@H](OCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000926652444 1327652018 /nfs/dbraw/zinc/65/20/18/1327652018.db2.gz SWAHHHXGZPZJIQ-OTYNDTSQSA-N 1 3 346.515 3.386 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001323145460 1387301873 /nfs/dbraw/zinc/30/18/73/1387301873.db2.gz ZBVXKKWPMVQECD-VXOKQSJXSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001324162983 1387549763 /nfs/dbraw/zinc/54/97/63/1387549763.db2.gz NVDHMKQTDJTADC-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960680 1387856550 /nfs/dbraw/zinc/85/65/50/1387856550.db2.gz IGJDXAHWJKOJRK-RXVVDRJESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1)N1CCCCCC1 ZINC001324960680 1387856560 /nfs/dbraw/zinc/85/65/60/1387856560.db2.gz IGJDXAHWJKOJRK-RXVVDRJESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001325465649 1387982878 /nfs/dbraw/zinc/98/28/78/1387982878.db2.gz HYKYGNXCGNZVKL-XLIONFOSSA-N 1 3 343.515 3.155 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001326760337 1388301285 /nfs/dbraw/zinc/30/12/85/1388301285.db2.gz PXBHAMCVRWZISA-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001327157808 1388412845 /nfs/dbraw/zinc/41/28/45/1388412845.db2.gz VCNVLDFELBZECV-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001327157808 1388412849 /nfs/dbraw/zinc/41/28/49/1388412849.db2.gz VCNVLDFELBZECV-OALUTQOASA-N 1 3 337.552 3.412 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1)N(C)C ZINC001266223097 1377234554 /nfs/dbraw/zinc/23/45/54/1377234554.db2.gz JBWFCFIQTCVOPR-VQTJNVASSA-N 1 3 345.531 3.196 10 0 EGAEHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccc(C)c1)N(C)C ZINC001266223097 1377234557 /nfs/dbraw/zinc/23/45/57/1377234557.db2.gz JBWFCFIQTCVOPR-VQTJNVASSA-N 1 3 345.531 3.196 10 0 EGAEHO CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001327494144 1388535833 /nfs/dbraw/zinc/53/58/33/1388535833.db2.gz YTLNAWLSBKZURM-SREVYHEPSA-N 1 3 335.536 3.189 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001280264738 1378338681 /nfs/dbraw/zinc/33/86/81/1378338681.db2.gz ZNONRQYWXCPTQU-OALUTQOASA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)N(C)C ZINC001282677960 1378548963 /nfs/dbraw/zinc/54/89/63/1378548963.db2.gz LBCCMLHADFDDDK-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1)N(C)C ZINC001282677960 1378548965 /nfs/dbraw/zinc/54/89/65/1378548965.db2.gz LBCCMLHADFDDDK-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541838 1388556555 /nfs/dbraw/zinc/55/65/55/1388556555.db2.gz RGNOMCDGEPGARW-NJRZHNRPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001327541838 1388556558 /nfs/dbraw/zinc/55/65/58/1388556558.db2.gz RGNOMCDGEPGARW-NJRZHNRPSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001282985519 1378697752 /nfs/dbraw/zinc/69/77/52/1378697752.db2.gz NTCTUWVZZOIQHM-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001282985519 1378697755 /nfs/dbraw/zinc/69/77/55/1378697755.db2.gz NTCTUWVZZOIQHM-OYRHEFFESA-N 1 3 349.563 3.077 10 0 EGAEHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)C1 ZINC001328087240 1388667632 /nfs/dbraw/zinc/66/76/32/1388667632.db2.gz XVJNEJKZXABQSU-DLBZAZTESA-N 1 3 326.488 3.470 10 0 EGAEHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001328350962 1388727704 /nfs/dbraw/zinc/72/77/04/1388727704.db2.gz BIIAGMMMIRKSCG-INIZCTEOSA-N 1 3 343.515 3.033 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)c1 ZINC001328674284 1388803818 /nfs/dbraw/zinc/80/38/18/1388803818.db2.gz UFVTVFNYEKBXAA-OPUMOTSWSA-N 1 3 349.906 3.085 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCCC1)N(C)C ZINC001328734149 1388831847 /nfs/dbraw/zinc/83/18/47/1388831847.db2.gz VSBGHSXPOISRKI-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCCC1)N(C)C ZINC001328734149 1388831850 /nfs/dbraw/zinc/83/18/50/1388831850.db2.gz VSBGHSXPOISRKI-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCCC(C)(C)C)C1 ZINC001328763402 1388847002 /nfs/dbraw/zinc/84/70/02/1388847002.db2.gz CQSNTPMQFHTCGU-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001328763402 1388847003 /nfs/dbraw/zinc/84/70/03/1388847003.db2.gz CQSNTPMQFHTCGU-QZTJIDSGSA-N 1 3 337.552 3.077 10 0 EGAEHO Cc1ccc2c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)csc2c1 ZINC001166247427 1383406661 /nfs/dbraw/zinc/40/66/61/1383406661.db2.gz GSHOZVNJGJOUNM-HNNXBMFYSA-N 1 3 347.528 3.212 10 0 EGAEHO Cc1ccc2c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)csc2c1 ZINC001166247427 1383406662 /nfs/dbraw/zinc/40/66/62/1383406662.db2.gz GSHOZVNJGJOUNM-HNNXBMFYSA-N 1 3 347.528 3.212 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328812218 1388878258 /nfs/dbraw/zinc/87/82/58/1388878258.db2.gz KZDLPJHXRUZKHD-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328812218 1388878263 /nfs/dbraw/zinc/87/82/63/1388878263.db2.gz KZDLPJHXRUZKHD-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](O)CCN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308008767 1384073737 /nfs/dbraw/zinc/07/37/37/1384073737.db2.gz NMVUCHLTGITKDM-NJDAHSKKSA-N 1 3 330.516 3.237 10 0 EGAEHO CC(C)[C@H](O)CCN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308008768 1384074594 /nfs/dbraw/zinc/07/45/94/1384074594.db2.gz NMVUCHLTGITKDM-NJYVYQBISA-N 1 3 330.516 3.237 10 0 EGAEHO CC(C)[C@H](O)CCN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001308008768 1384074596 /nfs/dbraw/zinc/07/45/96/1384074596.db2.gz NMVUCHLTGITKDM-NJYVYQBISA-N 1 3 330.516 3.237 10 0 EGAEHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001316610095 1384480318 /nfs/dbraw/zinc/48/03/18/1384480318.db2.gz HCEYRCVSUGTLOG-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(C)c2)[C@@H]1C)[NH+](CC)CC ZINC001316792095 1384585213 /nfs/dbraw/zinc/58/52/13/1384585213.db2.gz DHSPDNYBZBXKGL-HOJAQTOUSA-N 1 3 345.531 3.194 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001316850713 1384639332 /nfs/dbraw/zinc/63/93/32/1384639332.db2.gz IDBPEIDHEJDPAO-PKOBYXMFSA-N 1 3 345.531 3.144 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001316850713 1384639339 /nfs/dbraw/zinc/63/93/39/1384639339.db2.gz IDBPEIDHEJDPAO-PKOBYXMFSA-N 1 3 345.531 3.144 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)N1CCCCCC1 ZINC001317024317 1384790531 /nfs/dbraw/zinc/79/05/31/1384790531.db2.gz JDMWRDIHFQUOSX-FXAWDEMLSA-N 1 3 349.563 3.316 10 0 EGAEHO CC/C=C/CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001317048722 1384825456 /nfs/dbraw/zinc/82/54/56/1384825456.db2.gz CTFIKAPXIVLKOR-IGVYDEPUSA-N 1 3 347.547 3.284 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001329057936 1388949173 /nfs/dbraw/zinc/94/91/73/1388949173.db2.gz XOTXAZVDYJKRFA-ZWKOTPCHSA-N 1 3 345.531 3.079 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001317208256 1384983683 /nfs/dbraw/zinc/98/36/83/1384983683.db2.gz XRSUAKNRUBPBKC-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001317208256 1384983687 /nfs/dbraw/zinc/98/36/87/1384983687.db2.gz XRSUAKNRUBPBKC-MJGOQNOKSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001317271062 1385041281 /nfs/dbraw/zinc/04/12/81/1385041281.db2.gz KMJBHJHNTXWIOC-PBHHLJAZSA-N 1 3 343.515 3.059 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001317436674 1385139254 /nfs/dbraw/zinc/13/92/54/1385139254.db2.gz ZLGCTTZOBCKRAR-QGZVFWFLSA-N 1 3 346.519 3.058 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001317436674 1385139258 /nfs/dbraw/zinc/13/92/58/1385139258.db2.gz ZLGCTTZOBCKRAR-QGZVFWFLSA-N 1 3 346.519 3.058 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317452011 1385150359 /nfs/dbraw/zinc/15/03/59/1385150359.db2.gz AYYPCUXZPAORIK-OALUTQOASA-N 1 3 349.494 3.199 10 0 EGAEHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317452011 1385150360 /nfs/dbraw/zinc/15/03/60/1385150360.db2.gz AYYPCUXZPAORIK-OALUTQOASA-N 1 3 349.494 3.199 10 0 EGAEHO C[C@@H]([NH2+]CCC1=CCCCC1)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001329102178 1388968689 /nfs/dbraw/zinc/96/86/89/1388968689.db2.gz BRVHBEQVCOIASX-SJORKVTESA-N 1 3 335.536 3.234 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001317513257 1385225972 /nfs/dbraw/zinc/22/59/72/1385225972.db2.gz JCXKNCQGYHSWHL-SBUVDCAVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001317513257 1385225977 /nfs/dbraw/zinc/22/59/77/1385225977.db2.gz JCXKNCQGYHSWHL-SBUVDCAVSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530729 1385255046 /nfs/dbraw/zinc/25/50/46/1385255046.db2.gz ZBKDNOSDQSSSTD-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)N1CCCCCC1 ZINC001317530729 1385255052 /nfs/dbraw/zinc/25/50/52/1385255052.db2.gz ZBKDNOSDQSSSTD-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CCCCC1 ZINC001317702141 1385408041 /nfs/dbraw/zinc/40/80/41/1385408041.db2.gz RMBDGZHDFJZWNL-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CCCCC1 ZINC001317702141 1385408043 /nfs/dbraw/zinc/40/80/43/1385408043.db2.gz RMBDGZHDFJZWNL-GOSISDBHSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1)N(C)C ZINC001318414462 1385680547 /nfs/dbraw/zinc/68/05/47/1385680547.db2.gz TXEKVZTUWUPONP-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)N(C)C ZINC001318414462 1385680549 /nfs/dbraw/zinc/68/05/49/1385680549.db2.gz TXEKVZTUWUPONP-MOPGFXCFSA-N 1 3 337.552 3.076 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001318553996 1385752346 /nfs/dbraw/zinc/75/23/46/1385752346.db2.gz DRRRIWCCENJRAV-YJBOKZPZSA-N 1 3 349.494 3.246 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581605 1385769217 /nfs/dbraw/zinc/76/92/17/1385769217.db2.gz KRCMMJMLTWAFOU-HKUYNNGSSA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001318583212 1385771802 /nfs/dbraw/zinc/77/18/02/1385771802.db2.gz ZDONTBHKDOHVEV-MSOLQXFVSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001319149099 1385980782 /nfs/dbraw/zinc/98/07/82/1385980782.db2.gz GHCDPOUXAQDANK-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001319149099 1385980784 /nfs/dbraw/zinc/98/07/84/1385980784.db2.gz GHCDPOUXAQDANK-UHFFFAOYSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001319558981 1386178625 /nfs/dbraw/zinc/17/86/25/1386178625.db2.gz CHYXEVVHQYNMQQ-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CN(CCC[NH2+]CC[C@H]1CCOC1)C(=O)C12CCC(CC1)C2(C)C ZINC001322725908 1387231377 /nfs/dbraw/zinc/23/13/77/1387231377.db2.gz HUHMKQPJLJUKOZ-VXESANQCSA-N 1 3 336.520 3.068 10 0 EGAEHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001329219817 1389025645 /nfs/dbraw/zinc/02/56/45/1389025645.db2.gz GDJGNIMCMYTDGH-MHJFOBGBSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001698714829 1406358213 /nfs/dbraw/zinc/35/82/13/1406358213.db2.gz NIUBXLGIMCMNRE-SNRMKQJTSA-N 1 3 349.494 3.244 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1 ZINC001329860639 1389238395 /nfs/dbraw/zinc/23/83/95/1389238395.db2.gz KDOYSKZMOHPRLZ-KHLFDWQFSA-N 1 3 341.927 3.020 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001332162827 1390014606 /nfs/dbraw/zinc/01/46/06/1390014606.db2.gz XTDRWMMVBSHSHL-ODWICZQRSA-N 1 3 349.563 3.290 10 0 EGAEHO COc1cccc(N2CCC([NH2+][C@H]3[C@@H]4CCCN[C@@H]4C3(C)C)CC2)c1 ZINC001332422231 1390112028 /nfs/dbraw/zinc/11/20/28/1390112028.db2.gz USOJQZKJXQDCIT-AABGKKOBSA-N 1 3 343.515 3.030 10 0 EGAEHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CC3(CCC3)C2)C(C)(C)C)CCC1 ZINC001332810168 1390192595 /nfs/dbraw/zinc/19/25/95/1390192595.db2.gz ZPJOFHHEOCDFSE-QGZVFWFLSA-N 1 3 349.563 3.172 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001333004889 1390234816 /nfs/dbraw/zinc/23/48/16/1390234816.db2.gz NTYBPITVAXMGGW-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO C[C@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001479259806 1392200128 /nfs/dbraw/zinc/20/01/28/1392200128.db2.gz CLYCDXGXKGXWSU-MJGOQNOKSA-N 1 3 331.504 3.012 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001479711119 1392332716 /nfs/dbraw/zinc/33/27/16/1392332716.db2.gz FVHCSGMVQKMZOO-CEXWTWQISA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1C ZINC001479711119 1392332717 /nfs/dbraw/zinc/33/27/17/1392332717.db2.gz FVHCSGMVQKMZOO-CEXWTWQISA-N 1 3 337.552 3.122 10 0 EGAEHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001698857065 1406564361 /nfs/dbraw/zinc/56/43/61/1406564361.db2.gz YRCUGCKHAKITAM-MSOLQXFVSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479854679 1392434500 /nfs/dbraw/zinc/43/45/00/1392434500.db2.gz LPAADPDFSHAHHY-LPHOPBHVSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](C)C[N@@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001479854679 1392434503 /nfs/dbraw/zinc/43/45/03/1392434503.db2.gz LPAADPDFSHAHHY-LPHOPBHVSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479854680 1392434900 /nfs/dbraw/zinc/43/49/00/1392434900.db2.gz LPAADPDFSHAHHY-QFBILLFUSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](C)C[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479854680 1392434902 /nfs/dbraw/zinc/43/49/02/1392434902.db2.gz LPAADPDFSHAHHY-QFBILLFUSA-N 1 3 343.531 3.073 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001479953119 1392490466 /nfs/dbraw/zinc/49/04/66/1392490466.db2.gz BQYUCXSHGLITGF-HPFMTEOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001479953119 1392490467 /nfs/dbraw/zinc/49/04/67/1392490467.db2.gz BQYUCXSHGLITGF-HPFMTEOYSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001479984375 1392516863 /nfs/dbraw/zinc/51/68/63/1392516863.db2.gz BCASLODZGNEBOM-ZEVQVBBLSA-N 1 3 349.563 3.291 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH]cn2)CC1 ZINC001479995960 1392527489 /nfs/dbraw/zinc/52/74/89/1392527489.db2.gz YWJWOCISAWBUCP-WAYWQWQTSA-N 1 3 332.492 3.012 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001480066594 1392558992 /nfs/dbraw/zinc/55/89/92/1392558992.db2.gz PTRXIHZDCYUXIV-FXAWDEMLSA-N 1 3 345.531 3.189 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21)CC(C)(C)C ZINC001480190244 1392619735 /nfs/dbraw/zinc/61/97/35/1392619735.db2.gz YOPOVCKDUQHLMC-RBUKOAKNSA-N 1 3 349.563 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21)CC(C)(C)C ZINC001480190244 1392619736 /nfs/dbraw/zinc/61/97/36/1392619736.db2.gz YOPOVCKDUQHLMC-RBUKOAKNSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001480404283 1392742180 /nfs/dbraw/zinc/74/21/80/1392742180.db2.gz ZJLOWRFXMOQPKQ-ACBHZAAOSA-N 1 3 337.552 3.312 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001698872980 1406593850 /nfs/dbraw/zinc/59/38/50/1406593850.db2.gz HCVJECPCJOMANP-MJGOQNOKSA-N 1 3 349.563 3.029 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001480742959 1392910017 /nfs/dbraw/zinc/91/00/17/1392910017.db2.gz SXXXRYINDMYVJU-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001480742959 1392910021 /nfs/dbraw/zinc/91/00/21/1392910021.db2.gz SXXXRYINDMYVJU-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001480952206 1393043016 /nfs/dbraw/zinc/04/30/16/1393043016.db2.gz ZOUKCJBTHGKFBE-AZUAARDMSA-N 1 3 345.531 3.287 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001480952206 1393043017 /nfs/dbraw/zinc/04/30/17/1393043017.db2.gz ZOUKCJBTHGKFBE-AZUAARDMSA-N 1 3 345.531 3.287 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1)N(C)C ZINC001481371417 1394212616 /nfs/dbraw/zinc/21/26/16/1394212616.db2.gz VKUJCUULIDPJDR-ROUUACIJSA-N 1 3 333.520 3.210 10 0 EGAEHO CC/C=C\CCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530410 1394386165 /nfs/dbraw/zinc/38/61/65/1394386165.db2.gz TXUROTJEQRAVKD-SBUVDCAVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001481530410 1394386167 /nfs/dbraw/zinc/38/61/67/1394386167.db2.gz TXUROTJEQRAVKD-SBUVDCAVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001481530410 1394386173 /nfs/dbraw/zinc/38/61/73/1394386173.db2.gz TXUROTJEQRAVKD-SBUVDCAVSA-N 1 3 349.563 3.434 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001491109514 1394431182 /nfs/dbraw/zinc/43/11/82/1394431182.db2.gz IEONOEANIJXYJB-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)CCC1 ZINC001491109514 1394431185 /nfs/dbraw/zinc/43/11/85/1394431185.db2.gz IEONOEANIJXYJB-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001491189605 1394463947 /nfs/dbraw/zinc/46/39/47/1394463947.db2.gz COXZLRLNVRLJFJ-RTBURBONSA-N 1 3 345.531 3.224 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001491270499 1394499102 /nfs/dbraw/zinc/49/91/02/1394499102.db2.gz CVTKAENBSMLLSJ-WOJBJXKFSA-N 1 3 349.563 3.412 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001491270496 1394499126 /nfs/dbraw/zinc/49/91/26/1394499126.db2.gz CVTKAENBSMLLSJ-UXHICEINSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)N(C)C ZINC001482062189 1394723653 /nfs/dbraw/zinc/72/36/53/1394723653.db2.gz GNQOFUQYENRVRS-RTBURBONSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)N(CC)CC ZINC001484019004 1395190618 /nfs/dbraw/zinc/19/06/18/1395190618.db2.gz NYBPWPQBVJCRCL-AABGKKOBSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)N(CC)CC ZINC001484019004 1395190619 /nfs/dbraw/zinc/19/06/19/1395190619.db2.gz NYBPWPQBVJCRCL-AABGKKOBSA-N 1 3 349.563 3.362 10 0 EGAEHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001484098729 1395249898 /nfs/dbraw/zinc/24/98/98/1395249898.db2.gz ZBLAZZWUKUETNZ-FQEVSTJZSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCC[N@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001484557863 1395439380 /nfs/dbraw/zinc/43/93/80/1395439380.db2.gz YEHPOWOUNYBSGD-QZTJIDSGSA-N 1 3 345.531 3.408 10 0 EGAEHO CCCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001484557863 1395439381 /nfs/dbraw/zinc/43/93/81/1395439381.db2.gz YEHPOWOUNYBSGD-QZTJIDSGSA-N 1 3 345.531 3.408 10 0 EGAEHO CC(C)(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001484828314 1395565793 /nfs/dbraw/zinc/56/57/93/1395565793.db2.gz AQZIGPGVHALRJM-HXUWFJFHSA-N 1 3 346.519 3.093 10 0 EGAEHO CC(C)(C)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001484828314 1395565796 /nfs/dbraw/zinc/56/57/96/1395565796.db2.gz AQZIGPGVHALRJM-HXUWFJFHSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC)C2)C1 ZINC001485082134 1395651562 /nfs/dbraw/zinc/65/15/62/1395651562.db2.gz MJFIUXIKVKSMCJ-RBUKOAKNSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CC)C2)C1 ZINC001485082134 1395651564 /nfs/dbraw/zinc/65/15/64/1395651564.db2.gz MJFIUXIKVKSMCJ-RBUKOAKNSA-N 1 3 337.552 3.079 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001485486699 1395972115 /nfs/dbraw/zinc/97/21/15/1395972115.db2.gz ZUBSETZOQYBYAW-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001485486699 1395972119 /nfs/dbraw/zinc/97/21/19/1395972119.db2.gz ZUBSETZOQYBYAW-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCCC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC001485587375 1396063434 /nfs/dbraw/zinc/06/34/34/1396063434.db2.gz UXHMVAIGYNDFDI-IBGZPJMESA-N 1 3 345.531 3.379 10 0 EGAEHO CCCCC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC001485587375 1396063438 /nfs/dbraw/zinc/06/34/38/1396063438.db2.gz UXHMVAIGYNDFDI-IBGZPJMESA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CN(C)CC(C)(C)C ZINC001486123719 1396178827 /nfs/dbraw/zinc/17/88/27/1396178827.db2.gz GXJORWLZQXRPEM-IAGOWNOFSA-N 1 3 339.568 3.370 10 0 EGAEHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001486249707 1396189485 /nfs/dbraw/zinc/18/94/85/1396189485.db2.gz JZXHTRDDACXAQH-IEBWSBKVSA-N 1 3 345.531 3.223 10 0 EGAEHO CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001503023693 1396241791 /nfs/dbraw/zinc/24/17/91/1396241791.db2.gz PIXBXELZHWLRJS-YLJYHZDGSA-N 1 3 345.531 3.058 10 0 EGAEHO CCc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001503023693 1396241795 /nfs/dbraw/zinc/24/17/95/1396241795.db2.gz PIXBXELZHWLRJS-YLJYHZDGSA-N 1 3 345.531 3.058 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001491960263 1396301121 /nfs/dbraw/zinc/30/11/21/1396301121.db2.gz SKEYYGVGSQKPMV-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001491960263 1396301122 /nfs/dbraw/zinc/30/11/22/1396301122.db2.gz SKEYYGVGSQKPMV-IBGZPJMESA-N 1 3 335.536 3.142 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCC1=CCCCC1 ZINC001699010776 1406839135 /nfs/dbraw/zinc/83/91/35/1406839135.db2.gz FUPJFMWDZXTCMM-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCC1=CCCCC1 ZINC001699010776 1406839140 /nfs/dbraw/zinc/83/91/40/1406839140.db2.gz FUPJFMWDZXTCMM-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001689177144 1396959484 /nfs/dbraw/zinc/95/94/84/1396959484.db2.gz ZGPPDOULQIBQCD-OTWHNJEPSA-N 1 3 349.563 3.122 10 0 EGAEHO CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001689177144 1396959486 /nfs/dbraw/zinc/95/94/86/1396959486.db2.gz ZGPPDOULQIBQCD-OTWHNJEPSA-N 1 3 349.563 3.122 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001498492840 1397036730 /nfs/dbraw/zinc/03/67/30/1397036730.db2.gz UZLDUGUQCQBZPR-ROUUACIJSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)CN(C)C(C)C)c1 ZINC001689891167 1404188317 /nfs/dbraw/zinc/18/83/17/1404188317.db2.gz RQOXJTVUBAIDEO-SFHVURJKSA-N 1 3 333.520 3.143 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)CN(C)C(C)C)c1 ZINC001689891167 1404188318 /nfs/dbraw/zinc/18/83/18/1404188318.db2.gz RQOXJTVUBAIDEO-SFHVURJKSA-N 1 3 333.520 3.143 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)CC1=CCCCC1 ZINC001689970082 1404235449 /nfs/dbraw/zinc/23/54/49/1404235449.db2.gz DQYZLHZAJZSDTJ-IBGZPJMESA-N 1 3 335.536 3.189 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)CC1=CCCCC1 ZINC001689970082 1404235452 /nfs/dbraw/zinc/23/54/52/1404235452.db2.gz DQYZLHZAJZSDTJ-IBGZPJMESA-N 1 3 335.536 3.189 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001690357695 1404492490 /nfs/dbraw/zinc/49/24/90/1404492490.db2.gz CFQODXFOSARBLO-OTWHNJEPSA-N 1 3 335.536 3.066 10 0 EGAEHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC1=CCCCC1 ZINC001690650647 1404682245 /nfs/dbraw/zinc/68/22/45/1404682245.db2.gz OLNVRQQIGFAPMD-QGZVFWFLSA-N 1 3 343.515 3.347 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1)N(C)C ZINC001691410874 1405249524 /nfs/dbraw/zinc/24/95/24/1405249524.db2.gz VBJYRXSTRIIWKF-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1)N(C)C ZINC001691410874 1405249528 /nfs/dbraw/zinc/24/95/28/1405249528.db2.gz VBJYRXSTRIIWKF-RBUKOAKNSA-N 1 3 337.552 3.076 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001691429083 1405262885 /nfs/dbraw/zinc/26/28/85/1405262885.db2.gz UTYFDMKUKQFKQJ-QQEKUCNNSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001691429083 1405262888 /nfs/dbraw/zinc/26/28/88/1405262888.db2.gz UTYFDMKUKQFKQJ-QQEKUCNNSA-N 1 3 349.563 3.290 10 0 EGAEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691481982 1405295278 /nfs/dbraw/zinc/29/52/78/1405295278.db2.gz XMAIXARSKIHTRP-LFGUQSLTSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001692286005 1405920251 /nfs/dbraw/zinc/92/02/51/1405920251.db2.gz JRRNGGJKGVTILX-UXHICEINSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001692286005 1405920255 /nfs/dbraw/zinc/92/02/55/1405920255.db2.gz JRRNGGJKGVTILX-UXHICEINSA-N 1 3 349.563 3.079 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001692336147 1405956575 /nfs/dbraw/zinc/95/65/75/1405956575.db2.gz HKDZZKKQQKUUTO-IBGZPJMESA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1)N1CCCC1 ZINC001732021335 1428238790 /nfs/dbraw/zinc/23/87/90/1428238790.db2.gz FIGLLWSJGSDXFL-LJQANCHMSA-N 1 3 343.515 3.108 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201898 1428452364 /nfs/dbraw/zinc/45/23/64/1428452364.db2.gz SCUJFXPVBICKMW-MOPGFXCFSA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001732299827 1428518951 /nfs/dbraw/zinc/51/89/51/1428518951.db2.gz TUPDNBNRLZXOGB-SFHVURJKSA-N 1 3 349.563 3.127 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001732318830 1428529054 /nfs/dbraw/zinc/52/90/54/1428529054.db2.gz RYOIOSTWHHGTRQ-HXUWFJFHSA-N 1 3 343.515 3.067 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001732497822 1428619730 /nfs/dbraw/zinc/61/97/30/1428619730.db2.gz FKUCBVPTONRJQJ-YLJYHZDGSA-N 1 3 345.531 3.379 10 0 EGAEHO C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001699380212 1412688848 /nfs/dbraw/zinc/68/88/48/1412688848.db2.gz DCKULLJNZIYDLR-DNVCBOLYSA-N 1 3 343.531 3.120 10 0 EGAEHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001699418868 1412732980 /nfs/dbraw/zinc/73/29/80/1412732980.db2.gz LPCHBEKEWABRNL-NWDGAFQWSA-N 1 3 346.302 3.100 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001699766029 1413171242 /nfs/dbraw/zinc/17/12/42/1413171242.db2.gz CGAZQNXGAZZWQT-RBUKOAKNSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001700194193 1413630303 /nfs/dbraw/zinc/63/03/03/1413630303.db2.gz LOCTWEJQSPHMIO-HXUWFJFHSA-N 1 3 347.547 3.232 10 0 EGAEHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001700194193 1413630305 /nfs/dbraw/zinc/63/03/05/1413630305.db2.gz LOCTWEJQSPHMIO-HXUWFJFHSA-N 1 3 347.547 3.232 10 0 EGAEHO CCC1([NH2+]CCCC2CCC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001700217529 1413661491 /nfs/dbraw/zinc/66/14/91/1413661491.db2.gz OJOVGQCRQWHYAH-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CN(CC(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001700227990 1413683066 /nfs/dbraw/zinc/68/30/66/1413683066.db2.gz BDHJDUREYGMLJU-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO CN(CC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001700227990 1413683071 /nfs/dbraw/zinc/68/30/71/1413683071.db2.gz BDHJDUREYGMLJU-OAQYLSRUSA-N 1 3 349.563 3.079 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700229151 1413686786 /nfs/dbraw/zinc/68/67/86/1413686786.db2.gz IJUJZNDKEKZADA-BVUSGXHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001700229151 1413686788 /nfs/dbraw/zinc/68/67/88/1413686788.db2.gz IJUJZNDKEKZADA-BVUSGXHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294304 1413753438 /nfs/dbraw/zinc/75/34/38/1413753438.db2.gz PYKCXNIAJSSGID-JTHGQSKGSA-N 1 3 346.519 3.224 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001700294304 1413753441 /nfs/dbraw/zinc/75/34/41/1413753441.db2.gz PYKCXNIAJSSGID-JTHGQSKGSA-N 1 3 346.519 3.224 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001700461656 1414061649 /nfs/dbraw/zinc/06/16/49/1414061649.db2.gz AJABRHZILJSWKV-YBGNTVOFSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C/C=C/c1ccccc1 ZINC001700461656 1414061653 /nfs/dbraw/zinc/06/16/53/1414061653.db2.gz AJABRHZILJSWKV-YBGNTVOFSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001700508023 1414155901 /nfs/dbraw/zinc/15/59/01/1414155901.db2.gz XUERPTMOZKSIID-ICSRJNTNSA-N 1 3 345.531 3.306 10 0 EGAEHO CC(C)=CCN1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700575190 1414249078 /nfs/dbraw/zinc/24/90/78/1414249078.db2.gz DOSQERNVJNWOEG-RBUKOAKNSA-N 1 3 349.563 3.290 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001700677302 1414332164 /nfs/dbraw/zinc/33/21/64/1414332164.db2.gz CSUBKPLAKHPPNU-SFHVURJKSA-N 1 3 345.531 3.162 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700780974 1414462906 /nfs/dbraw/zinc/46/29/06/1414462906.db2.gz QJOJZSSYRZZYJT-ADRWGQEASA-N 1 3 343.515 3.011 10 0 EGAEHO C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001700822085 1414478706 /nfs/dbraw/zinc/47/87/06/1414478706.db2.gz ISPUVVUXDJZFAW-AEFFLSMTSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001701025246 1414686785 /nfs/dbraw/zinc/68/67/85/1414686785.db2.gz ONBFTAJBIWFTJB-UHFFFAOYSA-N 1 3 345.531 3.033 10 0 EGAEHO CC(C)c1ccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001732595968 1428831742 /nfs/dbraw/zinc/83/17/42/1428831742.db2.gz XWMWVANNNVOZAG-IBGZPJMESA-N 1 3 345.531 3.042 10 0 EGAEHO CC(C)c1ccc(CN(C)CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001732595968 1428831747 /nfs/dbraw/zinc/83/17/47/1428831747.db2.gz XWMWVANNNVOZAG-IBGZPJMESA-N 1 3 345.531 3.042 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001707233710 1417254945 /nfs/dbraw/zinc/25/49/45/1417254945.db2.gz JFDJHINXFQGTTF-SFHVURJKSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001707424894 1417331732 /nfs/dbraw/zinc/33/17/32/1417331732.db2.gz ZGASKGNINMZDGM-QUCCMNQESA-N 1 3 345.531 3.369 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001707424894 1417331734 /nfs/dbraw/zinc/33/17/34/1417331734.db2.gz ZGASKGNINMZDGM-QUCCMNQESA-N 1 3 345.531 3.369 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239358 1417825592 /nfs/dbraw/zinc/82/55/92/1417825592.db2.gz SQVCQKPLCSQIJG-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001713379024 1417989437 /nfs/dbraw/zinc/98/94/37/1417989437.db2.gz MWZKAMGKMYLPOE-HNGSOEQISA-N 1 3 337.552 3.338 10 0 EGAEHO CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001713478362 1418161904 /nfs/dbraw/zinc/16/19/04/1418161904.db2.gz YULHDLVPPLUUCC-KRWDZBQOSA-N 1 3 339.911 3.179 10 0 EGAEHO CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001713478362 1418161909 /nfs/dbraw/zinc/16/19/09/1418161909.db2.gz YULHDLVPPLUUCC-KRWDZBQOSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001713529527 1418277577 /nfs/dbraw/zinc/27/75/77/1418277577.db2.gz MJZFKODWXWUDPS-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001713529527 1418277578 /nfs/dbraw/zinc/27/75/78/1418277578.db2.gz MJZFKODWXWUDPS-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)CC1CC(C)(C)C1 ZINC001713552016 1418336727 /nfs/dbraw/zinc/33/67/27/1418336727.db2.gz JVKFLSPOBCGUKN-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)CC1CC(C)(C)C1 ZINC001713552016 1418336732 /nfs/dbraw/zinc/33/67/32/1418336732.db2.gz JVKFLSPOBCGUKN-SFHVURJKSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001713775744 1418591321 /nfs/dbraw/zinc/59/13/21/1418591321.db2.gz PWGZOGUVYVCJLI-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001713775744 1418591326 /nfs/dbraw/zinc/59/13/26/1418591326.db2.gz PWGZOGUVYVCJLI-GOSISDBHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186788 1429288615 /nfs/dbraw/zinc/28/86/15/1429288615.db2.gz ZVBSATJJLWDAJZ-ROUUACIJSA-N 1 3 337.552 3.170 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)CN(C)C(C)C)CCCC2)c1 ZINC001714152676 1418959913 /nfs/dbraw/zinc/95/99/13/1418959913.db2.gz YGAQQMDLIOQORM-GOSISDBHSA-N 1 3 345.531 3.415 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001733198353 1429300697 /nfs/dbraw/zinc/30/06/97/1429300697.db2.gz KJWUNFDOHBUTOD-RTBURBONSA-N 1 3 335.536 3.044 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001733198861 1429301815 /nfs/dbraw/zinc/30/18/15/1429301815.db2.gz MSIUMSKOADSZDD-RBUKOAKNSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001714390157 1419138793 /nfs/dbraw/zinc/13/87/93/1419138793.db2.gz BYPOMYSYUWPCKF-MJGOQNOKSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418379 1419155761 /nfs/dbraw/zinc/15/57/61/1419155761.db2.gz YYTYDOVHZIBEPY-RBUKOAKNSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[N@H+](CCCC(C)C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714592521 1419340277 /nfs/dbraw/zinc/34/02/77/1419340277.db2.gz OHESIKODYIXPJW-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[N@@H+](CCCC(C)C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714592521 1419340280 /nfs/dbraw/zinc/34/02/80/1419340280.db2.gz OHESIKODYIXPJW-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1ccccc1F ZINC001715076646 1419811183 /nfs/dbraw/zinc/81/11/83/1419811183.db2.gz VZWMGFLLTUIXSC-SJLPKXTDSA-N 1 3 349.494 3.075 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCCC1 ZINC001715101237 1419841888 /nfs/dbraw/zinc/84/18/88/1419841888.db2.gz ZIPJAYSIHXKCNR-MRXNPFEDSA-N 1 3 325.541 3.029 10 0 EGAEHO Cc1cccc([C@H](C)[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001715121716 1419866854 /nfs/dbraw/zinc/86/68/54/1419866854.db2.gz BGYXEQIQBRZUBK-LAUBAEHRSA-N 1 3 345.531 3.271 10 0 EGAEHO CCCCC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001715497934 1420179611 /nfs/dbraw/zinc/17/96/11/1420179611.db2.gz HXCBPWLJXWRKHP-SFHVURJKSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001715497934 1420179612 /nfs/dbraw/zinc/17/96/12/1420179612.db2.gz HXCBPWLJXWRKHP-SFHVURJKSA-N 1 3 337.552 3.079 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C)c1 ZINC001715507755 1420190821 /nfs/dbraw/zinc/19/08/21/1420190821.db2.gz RROGLLJCLAVYGG-ICSRJNTNSA-N 1 3 347.547 3.435 10 0 EGAEHO CC(C)[C@H](C(=O)NC/C=C/CNCc1ccsc1)[NH+]1CCCCC1 ZINC001715915572 1420395499 /nfs/dbraw/zinc/39/54/99/1420395499.db2.gz UCXCCFRYCCCNNE-SHCNBLLESA-N 1 3 349.544 3.021 10 0 EGAEHO C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001716494781 1420717383 /nfs/dbraw/zinc/71/73/83/1420717383.db2.gz BCQMXEYAMKSTQA-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001716494781 1420717387 /nfs/dbraw/zinc/71/73/87/1420717387.db2.gz BCQMXEYAMKSTQA-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515498 1420745259 /nfs/dbraw/zinc/74/52/59/1420745259.db2.gz JUEAYMRSWQQNQY-ROUUACIJSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001716519933 1420748645 /nfs/dbraw/zinc/74/86/45/1420748645.db2.gz IERSYLRPELXVAN-RBUKOAKNSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001716546657 1420756628 /nfs/dbraw/zinc/75/66/28/1420756628.db2.gz ZYOQUJICIGUHQY-SFHVURJKSA-N 1 3 345.531 3.287 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001716796160 1420928820 /nfs/dbraw/zinc/92/88/20/1420928820.db2.gz QGKHRXALMHPYNV-VOTSOKGWSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001716998204 1421067070 /nfs/dbraw/zinc/06/70/70/1421067070.db2.gz MEGUQWHETHSMPU-IYWMVGAKSA-N 1 3 349.563 3.410 10 0 EGAEHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001716998204 1421067072 /nfs/dbraw/zinc/06/70/72/1421067072.db2.gz MEGUQWHETHSMPU-IYWMVGAKSA-N 1 3 349.563 3.410 10 0 EGAEHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001717004186 1421073198 /nfs/dbraw/zinc/07/31/98/1421073198.db2.gz ATAPAORLPFEMNE-NCXUSEDFSA-N 1 3 337.552 3.027 10 0 EGAEHO CC[C@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001717114729 1421118637 /nfs/dbraw/zinc/11/86/37/1421118637.db2.gz GGXJGBPMYKNUNY-DLBZAZTESA-N 1 3 345.531 3.484 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)cc1C ZINC001717422377 1421352394 /nfs/dbraw/zinc/35/23/94/1421352394.db2.gz FPZPEDOWJSGTOF-ROUUACIJSA-N 1 3 345.531 3.161 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695334 1421569709 /nfs/dbraw/zinc/56/97/09/1421569709.db2.gz FOHRALSDRDFOEL-FUHWJXTLSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001717758604 1421621756 /nfs/dbraw/zinc/62/17/56/1421621756.db2.gz YGTJGFPKPLTSHC-IEBWSBKVSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CC1(C)C ZINC001717893864 1421692291 /nfs/dbraw/zinc/69/22/91/1421692291.db2.gz IEOZKYMCDBLBIE-QZTJIDSGSA-N 1 3 337.552 3.122 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001717900982 1421697260 /nfs/dbraw/zinc/69/72/60/1421697260.db2.gz UMWXESCKNHDWPT-KRWDZBQOSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001717984360 1421756775 /nfs/dbraw/zinc/75/67/75/1421756775.db2.gz VSDJSAJDEDUIKO-KRWDZBQOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001733457437 1429676867 /nfs/dbraw/zinc/67/68/67/1429676867.db2.gz DKCLHMKQWNYWSA-RTVDBWQISA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001733457437 1429676870 /nfs/dbraw/zinc/67/68/70/1429676870.db2.gz DKCLHMKQWNYWSA-RTVDBWQISA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CCC(C)CC1)c1ccccc1F ZINC001723158276 1424311086 /nfs/dbraw/zinc/31/10/86/1424311086.db2.gz XALBONOFBGGAKR-QGZVFWFLSA-N 1 3 349.494 3.057 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609023 1424491049 /nfs/dbraw/zinc/49/10/49/1424491049.db2.gz NMIDRAMCJWRBHD-YJJPMGAVSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609023 1424491052 /nfs/dbraw/zinc/49/10/52/1424491052.db2.gz NMIDRAMCJWRBHD-YJJPMGAVSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001733571088 1429774180 /nfs/dbraw/zinc/77/41/80/1429774180.db2.gz DAGZSXCWACGHDI-OALUTQOASA-N 1 3 345.531 3.134 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001724741228 1425106482 /nfs/dbraw/zinc/10/64/82/1425106482.db2.gz NUSYYRQGIDJZDH-IRXDYDNUSA-N 1 3 331.504 3.017 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001724741228 1425106486 /nfs/dbraw/zinc/10/64/86/1425106486.db2.gz NUSYYRQGIDJZDH-IRXDYDNUSA-N 1 3 331.504 3.017 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001724753107 1425123125 /nfs/dbraw/zinc/12/31/25/1425123125.db2.gz XWKCPIPUBXYEQC-SJORKVTESA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC[NH2+]C1(CC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001724885868 1425269005 /nfs/dbraw/zinc/26/90/05/1425269005.db2.gz HCRLIECNCHOUFR-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725135250 1425608805 /nfs/dbraw/zinc/60/88/05/1425608805.db2.gz QBAKUUPWATXXQI-RNVJXAMWSA-N 1 3 343.515 3.057 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C\Cl)C(C)C ZINC001725212986 1425775070 /nfs/dbraw/zinc/77/50/70/1425775070.db2.gz KNTHDWOLXDKPRL-RIDHJDLKSA-N 1 3 343.943 3.076 10 0 EGAEHO CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731504874 1427488825 /nfs/dbraw/zinc/48/88/25/1427488825.db2.gz XYQLJKPMIBPQKO-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001731504874 1427488833 /nfs/dbraw/zinc/48/88/33/1427488833.db2.gz XYQLJKPMIBPQKO-RBUKOAKNSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)N1CCCC1 ZINC001731543381 1427557489 /nfs/dbraw/zinc/55/74/89/1427557489.db2.gz WYPDWQXFCHIUEQ-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CCCC1)N1CCCC1 ZINC001731543381 1427557494 /nfs/dbraw/zinc/55/74/94/1427557494.db2.gz WYPDWQXFCHIUEQ-UXHICEINSA-N 1 3 349.563 3.268 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001731550942 1427570299 /nfs/dbraw/zinc/57/02/99/1427570299.db2.gz YQIWXWDOKXUISP-DSQZMVHQSA-N 1 3 335.536 3.188 10 0 EGAEHO CC1CCC(C[NH2+]CCN(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001731988320 1428198667 /nfs/dbraw/zinc/19/86/67/1428198667.db2.gz USIAVDFNXDJYMD-UHFFFAOYSA-N 1 3 345.531 3.236 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001733599541 1429801041 /nfs/dbraw/zinc/80/10/41/1429801041.db2.gz OBMZDWRWKSTJCT-QYZOEREBSA-N 1 3 337.552 3.218 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N(C)C ZINC001733599541 1429801043 /nfs/dbraw/zinc/80/10/43/1429801043.db2.gz OBMZDWRWKSTJCT-QYZOEREBSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733904574 1437723108 /nfs/dbraw/zinc/72/31/08/1437723108.db2.gz ZZPVZJUOHJMYKT-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001733904574 1437723110 /nfs/dbraw/zinc/72/31/10/1437723110.db2.gz ZZPVZJUOHJMYKT-ZWKOTPCHSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001733936729 1437751019 /nfs/dbraw/zinc/75/10/19/1437751019.db2.gz JTOGIKLKFMGUEY-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001733936729 1437751021 /nfs/dbraw/zinc/75/10/21/1437751021.db2.gz JTOGIKLKFMGUEY-MOPGFXCFSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734106808 1437893328 /nfs/dbraw/zinc/89/33/28/1437893328.db2.gz TVDMTWRVRLVEOY-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001734106808 1437893329 /nfs/dbraw/zinc/89/33/29/1437893329.db2.gz TVDMTWRVRLVEOY-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001734299578 1438030693 /nfs/dbraw/zinc/03/06/93/1438030693.db2.gz CDTHKPZYPXBJHR-WMZOPIPTSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001734299162 1438030757 /nfs/dbraw/zinc/03/07/57/1438030757.db2.gz ANLOPLMOEIGCHH-LJQANCHMSA-N 1 3 349.563 3.268 10 0 EGAEHO CN(CC(=O)N[C@H](C[NH2+]CC1CCCC1)C(C)(C)C)CC(C)(C)C ZINC001734569443 1438163941 /nfs/dbraw/zinc/16/39/41/1438163941.db2.gz LWDUEWOVFQARQW-QGZVFWFLSA-N 1 3 339.568 3.275 10 0 EGAEHO c1cncc(CN2CCC([C@@H]3CC[N@H+](Cc4ccncc4)C3)CC2)c1 ZINC000012314151 211342469 /nfs/dbraw/zinc/34/24/69/211342469.db2.gz SPPDETZIPIOICJ-OAQYLSRUSA-N 1 3 336.483 3.211 10 0 EGAEHO c1cncc(CN2CCC([C@@H]3CC[N@@H+](Cc4ccncc4)C3)CC2)c1 ZINC000012314151 211342472 /nfs/dbraw/zinc/34/24/72/211342472.db2.gz SPPDETZIPIOICJ-OAQYLSRUSA-N 1 3 336.483 3.211 10 0 EGAEHO CC[NH+]1CCC(N(C)C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000095433531 218375739 /nfs/dbraw/zinc/37/57/39/218375739.db2.gz ZDKLCWJNZBAQPC-INIZCTEOSA-N 1 3 344.421 3.025 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000268704305 252154699 /nfs/dbraw/zinc/15/46/99/252154699.db2.gz HIOPWBWLQDOEBX-RLLQIKCJSA-N 1 3 341.499 3.383 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764286 252212998 /nfs/dbraw/zinc/21/29/98/252212998.db2.gz ITZFULSWKYMDNP-HOTGVXAUSA-N 1 3 332.492 3.209 10 0 EGAEHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000268878487 252327009 /nfs/dbraw/zinc/32/70/09/252327009.db2.gz WZWKNYLINOADDZ-CEWLAPEOSA-N 1 3 329.532 3.219 10 0 EGAEHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000348061738 141237130 /nfs/dbraw/zinc/23/71/30/141237130.db2.gz JKACCUGNQDEVBL-RBUKOAKNSA-N 1 3 330.520 3.008 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC000191422098 153194752 /nfs/dbraw/zinc/19/47/52/153194752.db2.gz GZIOFELYFIVSGY-UHFFFAOYSA-N 1 3 327.516 3.192 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC000191422098 153194756 /nfs/dbraw/zinc/19/47/56/153194756.db2.gz GZIOFELYFIVSGY-UHFFFAOYSA-N 1 3 327.516 3.192 10 0 EGAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2ccccc2)no1 ZINC000193056202 153274321 /nfs/dbraw/zinc/27/43/21/153274321.db2.gz HCSNKONTGCOTPD-HZTRTUMWSA-N 1 3 326.444 3.055 10 0 EGAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccccc2)no1 ZINC000193056202 153274324 /nfs/dbraw/zinc/27/43/24/153274324.db2.gz HCSNKONTGCOTPD-HZTRTUMWSA-N 1 3 326.444 3.055 10 0 EGAEHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1nc(-c2ccccc2)no1 ZINC000193056202 153274328 /nfs/dbraw/zinc/27/43/28/153274328.db2.gz HCSNKONTGCOTPD-HZTRTUMWSA-N 1 3 326.444 3.055 10 0 EGAEHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc(-c4ccccn4)s3)C2)CC1 ZINC000349155039 156370237 /nfs/dbraw/zinc/37/02/37/156370237.db2.gz VIJCTLWGHRCPHI-MRXNPFEDSA-N 1 3 342.512 3.369 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000372766586 157378775 /nfs/dbraw/zinc/37/87/75/157378775.db2.gz LJZHKZAEFGCWAX-HMXCVIKNSA-N 1 3 346.515 3.312 10 0 EGAEHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000125187043 162266433 /nfs/dbraw/zinc/26/64/33/162266433.db2.gz WKXRJCVROODCEZ-KRWDZBQOSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1C[C@@H](C[N@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317711 165029901 /nfs/dbraw/zinc/02/99/01/165029901.db2.gz MWQFTHAERNJUAZ-HKUYNNGSSA-N 1 3 331.504 3.435 10 0 EGAEHO C[C@H]1C[C@@H](C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)CCO1 ZINC000350317711 165029903 /nfs/dbraw/zinc/02/99/03/165029903.db2.gz MWQFTHAERNJUAZ-HKUYNNGSSA-N 1 3 331.504 3.435 10 0 EGAEHO COc1cc(C)c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(C)n1 ZINC000355212174 166134440 /nfs/dbraw/zinc/13/44/40/166134440.db2.gz HXKBWZVZKFPYIV-IBGZPJMESA-N 1 3 339.483 3.319 10 0 EGAEHO CC(C)[NH+](CCCNC(=O)N[C@@H](CN(C)C)c1ccccc1)C(C)C ZINC000174131064 265025846 /nfs/dbraw/zinc/02/58/46/265025846.db2.gz JSUULKRWGYLZJW-IBGZPJMESA-N 1 3 348.535 3.097 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250310716 266262749 /nfs/dbraw/zinc/26/27/49/266262749.db2.gz LUTOGPIJIPZFEF-GUYCJALGSA-N 1 3 337.305 3.238 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000131618845 276361774 /nfs/dbraw/zinc/36/17/74/276361774.db2.gz PTZHOHFSZICJIR-JZXOWHBKSA-N 1 3 349.544 3.122 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000131618845 276361775 /nfs/dbraw/zinc/36/17/75/276361775.db2.gz PTZHOHFSZICJIR-JZXOWHBKSA-N 1 3 349.544 3.122 10 0 EGAEHO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261862520 279006796 /nfs/dbraw/zinc/00/67/96/279006796.db2.gz WZYZBPQLYIOPSA-OJAHFUOMSA-N 1 3 343.515 3.045 10 0 EGAEHO CC[N@@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H](C)C1 ZINC000249073209 308018338 /nfs/dbraw/zinc/01/83/38/308018338.db2.gz KCPVECSVZGCZLY-KXBFYZLASA-N 1 3 335.923 3.018 10 0 EGAEHO CC[N@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H](C)C1 ZINC000249073209 308018339 /nfs/dbraw/zinc/01/83/39/308018339.db2.gz KCPVECSVZGCZLY-KXBFYZLASA-N 1 3 335.923 3.018 10 0 EGAEHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000414523038 309086238 /nfs/dbraw/zinc/08/62/38/309086238.db2.gz HRGZGBKCCKECEU-OALUTQOASA-N 1 3 348.556 3.133 10 0 EGAEHO COc1cccc(NC(=O)C[C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414810268 309103051 /nfs/dbraw/zinc/10/30/51/309103051.db2.gz HRIFSFGECWZPKX-GJZGRUSLSA-N 1 3 341.455 3.222 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NCCN1CCCC(C)(C)C1 ZINC000415930085 309149458 /nfs/dbraw/zinc/14/94/58/309149458.db2.gz JDWBZGUTDBZZQF-UHFFFAOYSA-N 1 3 332.492 3.040 10 0 EGAEHO COCc1cccc(OCC2(CN3CC[C@@H](C)[C@H](C[NH3+])C3)CCC2)c1 ZINC000420406374 309286913 /nfs/dbraw/zinc/28/69/13/309286913.db2.gz NUVWQHJXUYRTON-IEBWSBKVSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](C)[C@H](CN)C3)CCC2)c1 ZINC000420406374 309286914 /nfs/dbraw/zinc/28/69/14/309286914.db2.gz NUVWQHJXUYRTON-IEBWSBKVSA-N 1 3 346.515 3.299 10 0 EGAEHO COCc1cccc(OCC2(C[N@H+]3CC[C@@H](C)[C@H](CN)C3)CCC2)c1 ZINC000420406374 309286915 /nfs/dbraw/zinc/28/69/15/309286915.db2.gz NUVWQHJXUYRTON-IEBWSBKVSA-N 1 3 346.515 3.299 10 0 EGAEHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421325173 309318569 /nfs/dbraw/zinc/31/85/69/309318569.db2.gz KYVMAZHZMHGKKG-UHFFFAOYSA-N 1 3 343.515 3.181 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000422735908 309365924 /nfs/dbraw/zinc/36/59/24/309365924.db2.gz FNNAZHHMVBXOKT-SQGPQFPESA-N 1 3 338.499 3.335 10 0 EGAEHO Cc1ccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750897 309366490 /nfs/dbraw/zinc/36/64/90/309366490.db2.gz DVJUNEQZIZXOMT-TZIWHRDSSA-N 1 3 338.451 3.219 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422871425 309373031 /nfs/dbraw/zinc/37/30/31/309373031.db2.gz YUUZRAJNDUPBKB-ILRDRHFLSA-N 1 3 349.469 3.444 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422871433 309373081 /nfs/dbraw/zinc/37/30/81/309373081.db2.gz YUUZRAJNDUPBKB-STEAMIEHSA-N 1 3 349.469 3.444 10 0 EGAEHO CCC1(CC)[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1OC ZINC000422945329 309377483 /nfs/dbraw/zinc/37/74/83/309377483.db2.gz UCNAORHEWKJWTD-RSPOEFSDSA-N 1 3 344.499 3.426 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423291969 309394124 /nfs/dbraw/zinc/39/41/24/309394124.db2.gz KURLWIJXIFMUSG-CABCVRRESA-N 1 3 325.456 3.259 10 0 EGAEHO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(=O)NCCN(C)C ZINC000437788508 309799741 /nfs/dbraw/zinc/79/97/41/309799741.db2.gz UAMHRBCHNDJSAA-ZCNNSNEGSA-N 1 3 345.531 3.005 10 0 EGAEHO Cn1cc(C[NH2+]C2CC(N3CCCCC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449304587 310051848 /nfs/dbraw/zinc/05/18/48/310051848.db2.gz ZKUCGKWFOJMQSJ-UHFFFAOYSA-N 1 3 342.462 3.333 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4=CCOCC4)[C@H]3C2)cc1 ZINC000449403272 310059015 /nfs/dbraw/zinc/05/90/15/310059015.db2.gz PGNFHJYSQKTALE-PCCBWWKXSA-N 1 3 326.484 3.223 10 0 EGAEHO c1ccc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]2CCOC2)cc1 ZINC000459460112 310554106 /nfs/dbraw/zinc/55/41/06/310554106.db2.gz IQQNOHNDTLKLEU-GHTZIAJQSA-N 1 3 337.467 3.418 10 0 EGAEHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000529722830 313399301 /nfs/dbraw/zinc/39/93/01/313399301.db2.gz NDGRBGFMXLTWCO-YLJYHZDGSA-N 1 3 347.547 3.164 10 0 EGAEHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000529722830 313399304 /nfs/dbraw/zinc/39/93/04/313399304.db2.gz NDGRBGFMXLTWCO-YLJYHZDGSA-N 1 3 347.547 3.164 10 0 EGAEHO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000552040962 315191764 /nfs/dbraw/zinc/19/17/64/315191764.db2.gz PHNTXZQNGJDZEL-OTWHNJEPSA-N 1 3 329.488 3.388 10 0 EGAEHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000552899103 315237039 /nfs/dbraw/zinc/23/70/39/315237039.db2.gz LPVBNOHUJIXQIB-RCCFBDPRSA-N 1 3 334.504 3.105 10 0 EGAEHO Fc1cccc(-c2cnc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407975 317196173 /nfs/dbraw/zinc/19/61/73/317196173.db2.gz OCALOOHOPJXDDE-HZPDHXFCSA-N 1 3 329.419 3.302 10 0 EGAEHO CCn1nncc1CNCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000417949291 324303687 /nfs/dbraw/zinc/30/36/87/324303687.db2.gz IXEICZHTTSMYGP-UHFFFAOYSA-N 1 3 341.503 3.080 10 0 EGAEHO CC(C)C[C@@H](CNC1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000424332984 458617355 /nfs/dbraw/zinc/61/73/55/458617355.db2.gz VVINXSITTLSHGQ-INIZCTEOSA-N 1 3 326.525 3.453 10 0 EGAEHO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000245643713 455347205 /nfs/dbraw/zinc/34/72/05/455347205.db2.gz BEXBNKSQUNPSOV-ACDBMABISA-N 1 3 337.467 3.375 10 0 EGAEHO CO[C@@](C)(CN[C@@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563982 460615665 /nfs/dbraw/zinc/61/56/65/460615665.db2.gz OTLJZOCZNAFGAK-QUCCMNQESA-N 1 3 334.504 3.071 10 0 EGAEHO CO[C@@](C)(CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563982 460615673 /nfs/dbraw/zinc/61/56/73/460615673.db2.gz OTLJZOCZNAFGAK-QUCCMNQESA-N 1 3 334.504 3.071 10 0 EGAEHO C[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)Cc1ccccc1 ZINC000182078697 455431279 /nfs/dbraw/zinc/43/12/79/455431279.db2.gz GAVSYVMRISSZNU-GCJKJVERSA-N 1 3 338.495 3.222 10 0 EGAEHO CN(C)CCOc1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000132533120 454347052 /nfs/dbraw/zinc/34/70/52/454347052.db2.gz QSEPBDIKJIROJA-UXHICEINSA-N 1 3 339.483 3.448 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000246245364 455456566 /nfs/dbraw/zinc/45/65/66/455456566.db2.gz JGSVONFGWIUOHM-GSEOLPGOSA-N 1 3 343.515 3.015 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000125783788 454846416 /nfs/dbraw/zinc/84/64/16/454846416.db2.gz IAKWDFGPTBNSNS-HIFRSBDPSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000125783788 454846417 /nfs/dbraw/zinc/84/64/17/454846417.db2.gz IAKWDFGPTBNSNS-HIFRSBDPSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653697 455027851 /nfs/dbraw/zinc/02/78/51/455027851.db2.gz RNFOJZKSNBLTGU-MAUKXSAKSA-N 1 3 349.494 3.044 10 0 EGAEHO COc1ccccc1/C=C/C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000237300323 455170888 /nfs/dbraw/zinc/17/08/88/455170888.db2.gz HCGODQIGMSFPNM-RWSYTZSNSA-N 1 3 332.488 3.187 10 0 EGAEHO CCC[NH+]1CCC(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180448123 455171922 /nfs/dbraw/zinc/17/19/22/455171922.db2.gz MUMLYWSSNOOTNQ-HXUWFJFHSA-N 1 3 344.478 3.360 10 0 EGAEHO Cc1ccc(CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000182258885 455474374 /nfs/dbraw/zinc/47/43/74/455474374.db2.gz OCYCIAXOXYQTOV-CBQGHPETSA-N 1 3 341.543 3.170 10 0 EGAEHO Cc1ccc(CCCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000182258885 455474377 /nfs/dbraw/zinc/47/43/77/455474377.db2.gz OCYCIAXOXYQTOV-CBQGHPETSA-N 1 3 341.543 3.170 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000247039891 455548916 /nfs/dbraw/zinc/54/89/16/455548916.db2.gz MRCITWQARGGBEU-OLZOCXBDSA-N 1 3 328.403 3.289 10 0 EGAEHO CCn1cc(CN2CCCN(c3cc[nH+]c4ccc(C)cc43)CC2)cn1 ZINC000185649412 455589332 /nfs/dbraw/zinc/58/93/32/455589332.db2.gz CKULINITUNSPRI-UHFFFAOYSA-N 1 3 349.482 3.472 10 0 EGAEHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000250125533 455786150 /nfs/dbraw/zinc/78/61/50/455786150.db2.gz WBZRGKPOKBLMTM-PCCBWWKXSA-N 1 3 327.516 3.258 10 0 EGAEHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000250125533 455786156 /nfs/dbraw/zinc/78/61/56/455786156.db2.gz WBZRGKPOKBLMTM-PCCBWWKXSA-N 1 3 327.516 3.258 10 0 EGAEHO CCN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000272457668 455957226 /nfs/dbraw/zinc/95/72/26/455957226.db2.gz XKLSTEDRBDCSGQ-MZADTFQBSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261917024 455971269 /nfs/dbraw/zinc/97/12/69/455971269.db2.gz XDTRXKMAYAWHDC-NSHGMRRFSA-N 1 3 343.515 3.060 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189147621 456239968 /nfs/dbraw/zinc/23/99/68/456239968.db2.gz UJHRXOVIIJFCLQ-UHFFFAOYSA-N 1 3 344.478 3.282 10 0 EGAEHO C[C@@H](CC[NH2+]Cc1ccccc1-c1ccnn1C)N1CCCCC1 ZINC000352874926 456381517 /nfs/dbraw/zinc/38/15/17/456381517.db2.gz IPPIEWOSEJTWBL-KRWDZBQOSA-N 1 3 326.488 3.441 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000340474450 456480788 /nfs/dbraw/zinc/48/07/88/456480788.db2.gz RVWXSJOQTHLLSQ-XLIONFOSSA-N 1 3 341.503 3.221 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000340474450 456480791 /nfs/dbraw/zinc/48/07/91/456480791.db2.gz RVWXSJOQTHLLSQ-XLIONFOSSA-N 1 3 341.503 3.221 10 0 EGAEHO CN1CCC[C@H]1CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282427198 456510302 /nfs/dbraw/zinc/51/03/02/456510302.db2.gz HDEFHFCXSHMTBX-SFHVURJKSA-N 1 3 331.479 3.137 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000353410911 456683090 /nfs/dbraw/zinc/68/30/90/456683090.db2.gz XRVMZAFIUNAHNP-AVGNSLFASA-N 1 3 329.307 3.473 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000348758091 456843642 /nfs/dbraw/zinc/84/36/42/456843642.db2.gz YHQFMRMNGBADGN-WVLNKYAVSA-N 1 3 335.536 3.066 10 0 EGAEHO CO[C@@H](C)C[N@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C(C)C ZINC000353825498 456924847 /nfs/dbraw/zinc/92/48/47/456924847.db2.gz XUSCBZWOTPUQHT-SFHVURJKSA-N 1 3 347.547 3.462 10 0 EGAEHO CO[C@@H](C)C[N@@H+](Cc1ccccc1N(C)C1CCN(C)CC1)C(C)C ZINC000353825498 456924851 /nfs/dbraw/zinc/92/48/51/456924851.db2.gz XUSCBZWOTPUQHT-SFHVURJKSA-N 1 3 347.547 3.462 10 0 EGAEHO NC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390867976 457447561 /nfs/dbraw/zinc/44/75/61/457447561.db2.gz NPQDGOPZYPZXQW-XICAJGIJSA-N 1 3 327.516 3.289 10 0 EGAEHO C[C@H](CCC(C)(C)C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000342707732 457470077 /nfs/dbraw/zinc/47/00/77/457470077.db2.gz JYJSXKWZEGBPGM-GOSISDBHSA-N 1 3 332.536 3.398 10 0 EGAEHO Cc1ccsc1[C@@H](CO)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396691 457977529 /nfs/dbraw/zinc/97/75/29/457977529.db2.gz JAZFIOFHONWRCZ-CRAIPNDOSA-N 1 3 348.512 3.381 10 0 EGAEHO Fc1ccccc1-c1n[nH]cc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000369537126 458255666 /nfs/dbraw/zinc/25/56/66/458255666.db2.gz NRACTLFQUNLYEM-UHFFFAOYSA-N 1 3 328.435 3.322 10 0 EGAEHO CN1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000459439303 458371552 /nfs/dbraw/zinc/37/15/52/458371552.db2.gz KMWCYKCSGDOTCF-MOPGFXCFSA-N 1 3 333.907 3.302 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423716733 458475917 /nfs/dbraw/zinc/47/59/17/458475917.db2.gz YAVXJNQKVILFOV-UZLBHIALSA-N 1 3 337.467 3.053 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC000431556762 458587934 /nfs/dbraw/zinc/58/79/34/458587934.db2.gz MFKIOPAAFROJHQ-PMACEKPBSA-N 1 3 345.531 3.232 10 0 EGAEHO CCc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC000431556762 458587940 /nfs/dbraw/zinc/58/79/40/458587940.db2.gz MFKIOPAAFROJHQ-PMACEKPBSA-N 1 3 345.531 3.232 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000532295402 459062697 /nfs/dbraw/zinc/06/26/97/459062697.db2.gz BLLZCAUIODHRCK-IBGZPJMESA-N 1 3 347.547 3.105 10 0 EGAEHO c1n[nH]c2c1CC[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3)C3(CC3)C1)C2 ZINC000568510321 459301118 /nfs/dbraw/zinc/30/11/18/459301118.db2.gz HYWFJEBCNLEFOY-MOPGFXCFSA-N 1 3 336.483 3.054 10 0 EGAEHO CCc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000560531867 459368190 /nfs/dbraw/zinc/36/81/90/459368190.db2.gz FWQYRBIEWUCNLC-CGXNFDGLSA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000560531867 459368195 /nfs/dbraw/zinc/36/81/95/459368195.db2.gz FWQYRBIEWUCNLC-CGXNFDGLSA-N 1 3 329.532 3.314 10 0 EGAEHO CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N(C)C)cc1 ZINC000560531867 459368202 /nfs/dbraw/zinc/36/82/02/459368202.db2.gz FWQYRBIEWUCNLC-CGXNFDGLSA-N 1 3 329.532 3.314 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc4cc[nH]c4c3)cc2)C1 ZINC000527725448 459714851 /nfs/dbraw/zinc/71/48/51/459714851.db2.gz LSCRWLRUFFIGCF-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4cc[nH]c4c3)cc2)C1 ZINC000527725448 459714854 /nfs/dbraw/zinc/71/48/54/459714854.db2.gz LSCRWLRUFFIGCF-HXUWFJFHSA-N 1 3 335.451 3.024 10 0 EGAEHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338127 460496843 /nfs/dbraw/zinc/49/68/43/460496843.db2.gz MIKXSOZIMFAMDP-ICSRJNTNSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338127 460496849 /nfs/dbraw/zinc/49/68/49/460496849.db2.gz MIKXSOZIMFAMDP-ICSRJNTNSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338127 460496853 /nfs/dbraw/zinc/49/68/53/460496853.db2.gz MIKXSOZIMFAMDP-ICSRJNTNSA-N 1 3 345.531 3.295 10 0 EGAEHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519925 460792127 /nfs/dbraw/zinc/79/21/27/460792127.db2.gz SGMPNFVURUMUPW-LQWHRVPQSA-N 1 3 349.478 3.243 10 0 EGAEHO C[NH2+]CCOCCN[C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000629529004 460798323 /nfs/dbraw/zinc/79/83/23/460798323.db2.gz OYHKJOZKTLMJRY-CYBMUJFWSA-N 1 3 338.398 3.328 10 0 EGAEHO COc1ccc(C[NH+]2CCC(CNCc3oc(C)nc3C)CC2)cc1 ZINC000628210311 461049975 /nfs/dbraw/zinc/04/99/75/461049975.db2.gz PZTIKFDAENLTJX-UHFFFAOYSA-N 1 3 343.471 3.302 10 0 EGAEHO [NH3+]Cc1ccc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000646409016 461241838 /nfs/dbraw/zinc/24/18/38/461241838.db2.gz YHKVYEWCTJOZHH-FQEVSTJZSA-N 1 3 337.467 3.102 10 0 EGAEHO CC(C)CC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000638114822 461251068 /nfs/dbraw/zinc/25/10/68/461251068.db2.gz YQRISQVMZXDIRB-RAFMOHDBSA-N 1 3 343.515 3.062 10 0 EGAEHO CC(C)CC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000638114822 461251075 /nfs/dbraw/zinc/25/10/75/461251075.db2.gz YQRISQVMZXDIRB-RAFMOHDBSA-N 1 3 343.515 3.062 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@H](C)O1 ZINC000649721036 461303004 /nfs/dbraw/zinc/30/30/04/461303004.db2.gz IVNXPUSAPDFWIS-CVVQJBQKSA-N 1 3 328.500 3.443 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662826193 461383755 /nfs/dbraw/zinc/38/37/55/461383755.db2.gz WCVKXFFZOFAFHS-QGZVFWFLSA-N 1 3 347.547 3.164 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662826193 461383762 /nfs/dbraw/zinc/38/37/62/461383762.db2.gz WCVKXFFZOFAFHS-QGZVFWFLSA-N 1 3 347.547 3.164 10 0 EGAEHO c1ccc2c(CC[NH2+]C3CCN(c4ccncc4)CC3)nsc2c1 ZINC000668711907 461392808 /nfs/dbraw/zinc/39/28/08/461392808.db2.gz JYZNYCUGTSXNDY-UHFFFAOYSA-N 1 3 338.480 3.492 10 0 EGAEHO CN(C)CCOc1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000668782169 461432461 /nfs/dbraw/zinc/43/24/61/461432461.db2.gz AITQWZCLPGZMBG-OYRHEFFESA-N 1 3 344.499 3.020 10 0 EGAEHO CN(C)CCOc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000668782169 461432470 /nfs/dbraw/zinc/43/24/70/461432470.db2.gz AITQWZCLPGZMBG-OYRHEFFESA-N 1 3 344.499 3.020 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000655862259 461510027 /nfs/dbraw/zinc/51/00/27/461510027.db2.gz ZAIMDOODANKAMC-IBGZPJMESA-N 1 3 332.488 3.208 10 0 EGAEHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655940058 461547915 /nfs/dbraw/zinc/54/79/15/461547915.db2.gz OJPPRXYKWHZEMZ-RBUKOAKNSA-N 1 3 338.442 3.116 10 0 EGAEHO c1cc(CNCCCCC[NH+]2CCCCC2)n(-c2ccccn2)n1 ZINC000647183460 461549612 /nfs/dbraw/zinc/54/96/12/461549612.db2.gz ZRJYSDZOXZTQTC-UHFFFAOYSA-N 1 3 327.476 3.013 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+][C@H]3CCN(CC4CC4)C3)CC23CC3)cc1 ZINC000647181667 461551263 /nfs/dbraw/zinc/55/12/63/461551263.db2.gz MHIIYJHWBVBOAD-SFTDATJTSA-N 1 3 339.527 3.258 10 0 EGAEHO Cn1nccc1-c1ccccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344239 461571553 /nfs/dbraw/zinc/57/15/53/461571553.db2.gz PYVVFVODFOTRJB-GOSISDBHSA-N 1 3 338.499 3.299 10 0 EGAEHO Cn1nccc1-c1ccccc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344239 461571565 /nfs/dbraw/zinc/57/15/65/461571565.db2.gz PYVVFVODFOTRJB-GOSISDBHSA-N 1 3 338.499 3.299 10 0 EGAEHO Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663344239 461571575 /nfs/dbraw/zinc/57/15/75/461571575.db2.gz PYVVFVODFOTRJB-GOSISDBHSA-N 1 3 338.499 3.299 10 0 EGAEHO CN1C[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@H](c2ccccc2)C1 ZINC000647249023 461589150 /nfs/dbraw/zinc/58/91/50/461589150.db2.gz XVBJCNQWBZAMTN-RTWAWAEBSA-N 1 3 334.463 3.397 10 0 EGAEHO CN1C[C@@H](C[NH2+]Cc2scnc2C2CC2)[C@H](c2ccccc2)C1 ZINC000647249424 461589866 /nfs/dbraw/zinc/58/98/66/461589866.db2.gz ZRGZLNLDWLOWNQ-SJORKVTESA-N 1 3 327.497 3.456 10 0 EGAEHO CC(C)[C@H]([NH3+])CCN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000663502421 461674907 /nfs/dbraw/zinc/67/49/07/461674907.db2.gz ISKGOSBDATUKQR-RHSMWYFYSA-N 1 3 339.911 3.040 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCO2)cc1 ZINC000656405402 461735561 /nfs/dbraw/zinc/73/55/61/461735561.db2.gz PVVKKVHAZDSPHX-WHZJULEDSA-N 1 3 326.484 3.008 10 0 EGAEHO c1ccc(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@@H]2CCCO2)cc1 ZINC000656405402 461735563 /nfs/dbraw/zinc/73/55/63/461735563.db2.gz PVVKKVHAZDSPHX-WHZJULEDSA-N 1 3 326.484 3.008 10 0 EGAEHO CCOCCC[N@@H+]1CC[C@@H](NCCc2noc3ccccc23)[C@H](C)C1 ZINC000653619963 461765417 /nfs/dbraw/zinc/76/54/17/461765417.db2.gz JYGILSFFHTXCJA-SJLPKXTDSA-N 1 3 345.487 3.097 10 0 EGAEHO CCOCCC[N@H+]1CC[C@@H](NCCc2noc3ccccc23)[C@H](C)C1 ZINC000653619963 461765421 /nfs/dbraw/zinc/76/54/21/461765421.db2.gz JYGILSFFHTXCJA-SJLPKXTDSA-N 1 3 345.487 3.097 10 0 EGAEHO CCn1c2ccccc2nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784801 461894732 /nfs/dbraw/zinc/89/47/32/461894732.db2.gz HLXNESVRGWADIS-KRWDZBQOSA-N 1 3 326.488 3.268 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000650759272 461938588 /nfs/dbraw/zinc/93/85/88/461938588.db2.gz HYXAUIZKDVJEMY-INIZCTEOSA-N 1 3 325.456 3.221 10 0 EGAEHO CC[NH+](CC)Cc1ccccc1CNCc1ccnn1-c1ccncc1 ZINC000657297946 462027292 /nfs/dbraw/zinc/02/72/92/462027292.db2.gz QSMLJABJEVGUTO-UHFFFAOYSA-N 1 3 349.482 3.399 10 0 EGAEHO CN1CCN(CCCC[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657307540 462032387 /nfs/dbraw/zinc/03/23/87/462032387.db2.gz HQAQUBOVYGUFJP-UHFFFAOYSA-N 1 3 329.532 3.461 10 0 EGAEHO Cc1ccc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)[nH]c2c1 ZINC000657365299 462074232 /nfs/dbraw/zinc/07/42/32/462074232.db2.gz ZTSFBEADWLBSQH-INIZCTEOSA-N 1 3 327.472 3.067 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432630 462119707 /nfs/dbraw/zinc/11/97/07/462119707.db2.gz ULYALDYMJDUPKS-VIYGXFRKSA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432630 462119711 /nfs/dbraw/zinc/11/97/11/462119711.db2.gz ULYALDYMJDUPKS-VIYGXFRKSA-N 1 3 328.500 3.444 10 0 EGAEHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432630 462119715 /nfs/dbraw/zinc/11/97/15/462119715.db2.gz ULYALDYMJDUPKS-VIYGXFRKSA-N 1 3 328.500 3.444 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCc2ccoc2)CC1 ZINC000657653630 462216755 /nfs/dbraw/zinc/21/67/55/462216755.db2.gz MDWLIVJDLWEPNL-UHFFFAOYSA-N 1 3 327.472 3.144 10 0 EGAEHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000657838659 462291108 /nfs/dbraw/zinc/29/11/08/462291108.db2.gz DWDVEYATQAMIQX-HXUWFJFHSA-N 1 3 347.572 3.199 10 0 EGAEHO CC(C)c1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665145996 462327626 /nfs/dbraw/zinc/32/76/26/462327626.db2.gz SHHBKOGKELWYKR-INIZCTEOSA-N 1 3 334.508 3.204 10 0 EGAEHO CC(C)c1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665145996 462327632 /nfs/dbraw/zinc/32/76/32/462327632.db2.gz SHHBKOGKELWYKR-INIZCTEOSA-N 1 3 334.508 3.204 10 0 EGAEHO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC000665145699 462327768 /nfs/dbraw/zinc/32/77/68/462327768.db2.gz XSVHXVICKOJVCH-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC000665145699 462327770 /nfs/dbraw/zinc/32/77/70/462327770.db2.gz XSVHXVICKOJVCH-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C(C)(C)C(F)F ZINC000657969944 462331581 /nfs/dbraw/zinc/33/15/81/462331581.db2.gz WUKRRAHMMUXDDD-BBRMVZONSA-N 1 3 326.431 3.023 10 0 EGAEHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C(C)(C)C(F)F ZINC000657969947 462331821 /nfs/dbraw/zinc/33/18/21/462331821.db2.gz WUKRRAHMMUXDDD-XJKSGUPXSA-N 1 3 326.431 3.023 10 0 EGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972931 462354729 /nfs/dbraw/zinc/35/47/29/462354729.db2.gz CFEGRIWUZOLTIL-JRSUCEMESA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972931 462354735 /nfs/dbraw/zinc/35/47/35/462354735.db2.gz CFEGRIWUZOLTIL-JRSUCEMESA-N 1 3 326.484 3.054 10 0 EGAEHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972931 462354742 /nfs/dbraw/zinc/35/47/42/462354742.db2.gz CFEGRIWUZOLTIL-JRSUCEMESA-N 1 3 326.484 3.054 10 0 EGAEHO Cc1nc([C@@H](C)NCC2CC[NH+](C3CCOCC3)CC2)c(C)s1 ZINC000658066694 462364619 /nfs/dbraw/zinc/36/46/19/462364619.db2.gz DAUJHFYSVWBWSH-CYBMUJFWSA-N 1 3 337.533 3.302 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263344 462375263 /nfs/dbraw/zinc/37/52/63/462375263.db2.gz KTXGIDDHGVMRBJ-LJHODMEESA-N 1 3 325.456 3.072 10 0 EGAEHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C3CC(c4ccccc4)C3)cc2)C1 ZINC000658140001 462403687 /nfs/dbraw/zinc/40/36/87/462403687.db2.gz RRNWEEXHWLZZAE-LZBANZJXSA-N 1 3 336.479 3.289 10 0 EGAEHO Cc1nc(C)c([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658143212 462406636 /nfs/dbraw/zinc/40/66/36/462406636.db2.gz XRUUNNDLIRSCEH-FZKQIMNGSA-N 1 3 345.512 3.177 10 0 EGAEHO Cc1nc(C)c([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658143212 462406640 /nfs/dbraw/zinc/40/66/40/462406640.db2.gz XRUUNNDLIRSCEH-FZKQIMNGSA-N 1 3 345.512 3.177 10 0 EGAEHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCO[C@H]2CC2(F)F)CC1 ZINC000658169600 462418124 /nfs/dbraw/zinc/41/81/24/462418124.db2.gz HJMNJBOXIMAUOM-QAPCUYQASA-N 1 3 338.442 3.096 10 0 EGAEHO COc1ccccc1-c1cc(CN[C@@H](C)C2CC[NH+](C)CC2)on1 ZINC000658357755 462488387 /nfs/dbraw/zinc/48/83/87/462488387.db2.gz RYEALAIWHQDEPZ-AWEZNQCLSA-N 1 3 329.444 3.170 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000354605997 534901575 /nfs/dbraw/zinc/90/15/75/534901575.db2.gz UOMIITFWFWECAC-IBGZPJMESA-N 1 3 347.503 3.220 10 0 EGAEHO CCC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000154935231 528841143 /nfs/dbraw/zinc/84/11/43/528841143.db2.gz RSSPWAOZLUJXST-NXEWRWPSSA-N 1 3 343.515 3.029 10 0 EGAEHO CCC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000154935231 528841149 /nfs/dbraw/zinc/84/11/49/528841149.db2.gz RSSPWAOZLUJXST-NXEWRWPSSA-N 1 3 343.515 3.029 10 0 EGAEHO CCCN1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000310883085 547462109 /nfs/dbraw/zinc/46/21/09/547462109.db2.gz WYQKFBXGFQIBAA-KSEOMHKRSA-N 1 3 341.543 3.361 10 0 EGAEHO Cn1ccnc1C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000675919430 549004837 /nfs/dbraw/zinc/00/48/37/549004837.db2.gz IIXIDRFLDIOEMY-FQEVSTJZSA-N 1 3 338.499 3.168 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(OCCN(C)C)c1 ZINC000675928718 549007249 /nfs/dbraw/zinc/00/72/49/549007249.db2.gz VWPSFCDJZQUKAD-IAGOWNOFSA-N 1 3 327.472 3.476 10 0 EGAEHO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000678079677 549391902 /nfs/dbraw/zinc/39/19/02/549391902.db2.gz VMNSKGWBCIGYET-MJGOQNOKSA-N 1 3 327.516 3.386 10 0 EGAEHO CN1CCC(N2CC[C@@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000685841405 550447220 /nfs/dbraw/zinc/44/72/20/550447220.db2.gz VPUZZQBWWABGLJ-HXUWFJFHSA-N 1 3 343.559 3.285 10 0 EGAEHO CN1CC[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1(C)C ZINC000858144886 1328695264 /nfs/dbraw/zinc/69/52/64/1328695264.db2.gz WAIMNBXPPDYOIL-RISCZKNCSA-N 1 3 331.287 3.489 10 0 EGAEHO CC1([NH+]2CCC2)CCC(NCc2ccc(Br)cn2)CC1 ZINC000922846617 1322631772 /nfs/dbraw/zinc/63/17/72/1322631772.db2.gz CNVDKAVAFPRXIQ-UHFFFAOYSA-N 1 3 338.293 3.341 10 0 EGAEHO C[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923496058 1322761245 /nfs/dbraw/zinc/76/12/45/1322761245.db2.gz ZKJGSZQBZWJVGS-OLZOCXBDSA-N 1 3 348.288 3.414 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674126 1323105552 /nfs/dbraw/zinc/10/55/52/1323105552.db2.gz YCWTUCKKNIZHMJ-OLZOCXBDSA-N 1 3 349.466 3.444 10 0 EGAEHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000924938365 1323221164 /nfs/dbraw/zinc/22/11/64/1323221164.db2.gz KYBNENUFXDWPSD-PWRODBHTSA-N 1 3 332.532 3.470 10 0 EGAEHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCC2)c1 ZINC000925440380 1325150118 /nfs/dbraw/zinc/15/01/18/1325150118.db2.gz RDYUTCDWZXAFBT-BBWFWOEESA-N 1 3 334.508 3.148 10 0 EGAEHO CC1(C)C[C@@H](NCc2cccc(COC3CCOCC3)c2)C[C@@H]([NH3+])C1 ZINC000925476275 1325167661 /nfs/dbraw/zinc/16/76/61/1325167661.db2.gz HHVYOUNMUGFQOQ-MOPGFXCFSA-N 1 3 346.515 3.378 10 0 EGAEHO COc1ccc(CCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cc1OC ZINC000925482982 1325169805 /nfs/dbraw/zinc/16/98/05/1325169805.db2.gz VMDHGNURNMTXMR-RBUKOAKNSA-N 1 3 346.515 3.394 10 0 EGAEHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000925524708 1325190359 /nfs/dbraw/zinc/19/03/59/1325190359.db2.gz YLXVDHBGEPFUFS-RDJZCZTQSA-N 1 3 330.451 3.050 10 0 EGAEHO [NH3+]CCC[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccccc1 ZINC000925723317 1325270260 /nfs/dbraw/zinc/27/02/60/1325270260.db2.gz PJIBMDXNGNYBLQ-CABCVRRESA-N 1 3 326.366 3.056 10 0 EGAEHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000925774770 1325293841 /nfs/dbraw/zinc/29/38/41/1325293841.db2.gz CIBPBRZRDMGGKC-BXUZGUMPSA-N 1 3 345.231 3.271 10 0 EGAEHO Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925776816 1325294741 /nfs/dbraw/zinc/29/47/41/1325294741.db2.gz MKSDVFUKPVBRBN-UNEWFSDZSA-N 1 3 342.405 3.128 10 0 EGAEHO CC[NH+](CC)Cc1cccc(CNCc2cnc3c(cnn3C)c2)c1 ZINC000865417304 1329694533 /nfs/dbraw/zinc/69/45/33/1329694533.db2.gz GKCGEAAWVNCDAX-UHFFFAOYSA-N 1 3 337.471 3.100 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641015 1387415692 /nfs/dbraw/zinc/41/56/92/1387415692.db2.gz GRAKKCKNPWKJIG-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641015 1387415694 /nfs/dbraw/zinc/41/56/94/1387415694.db2.gz GRAKKCKNPWKJIG-OALUTQOASA-N 1 3 337.552 3.076 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859479 1387479486 /nfs/dbraw/zinc/47/94/86/1387479486.db2.gz WYIHKHGQJFTTDX-YAQIIAKESA-N 1 3 347.547 3.142 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001323859479 1387479489 /nfs/dbraw/zinc/47/94/89/1387479489.db2.gz WYIHKHGQJFTTDX-YAQIIAKESA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001323871839 1387484412 /nfs/dbraw/zinc/48/44/12/1387484412.db2.gz GCLZTXAQOJVFBE-SFMFPFJOSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001323871839 1387484414 /nfs/dbraw/zinc/48/44/14/1387484414.db2.gz GCLZTXAQOJVFBE-SFMFPFJOSA-N 1 3 347.547 3.142 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001325629380 1388016094 /nfs/dbraw/zinc/01/60/94/1388016094.db2.gz LUYKRKLRRPPBEX-BCDXTJNWSA-N 1 3 346.519 3.056 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001325629380 1388016099 /nfs/dbraw/zinc/01/60/99/1388016099.db2.gz LUYKRKLRRPPBEX-BCDXTJNWSA-N 1 3 346.519 3.056 10 0 EGAEHO CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001326489238 1388212924 /nfs/dbraw/zinc/21/29/24/1388212924.db2.gz GZOCOPBLKZZONV-AWEZNQCLSA-N 1 3 328.460 3.028 10 0 EGAEHO CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001326512636 1388225174 /nfs/dbraw/zinc/22/51/74/1388225174.db2.gz JLNRJELRKGLSSW-NCXUSEDFSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001266234679 1377240703 /nfs/dbraw/zinc/24/07/03/1377240703.db2.gz IZDPSULEPNMSGW-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001266234679 1377240704 /nfs/dbraw/zinc/24/07/04/1377240704.db2.gz IZDPSULEPNMSGW-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CCC2CCCC2)C1 ZINC001266234680 1377241015 /nfs/dbraw/zinc/24/10/15/1377241015.db2.gz IZDPSULEPNMSGW-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CCC2CCCC2)C1 ZINC001266234680 1377241018 /nfs/dbraw/zinc/24/10/18/1377241018.db2.gz IZDPSULEPNMSGW-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394981 1377387195 /nfs/dbraw/zinc/38/71/95/1377387195.db2.gz XKNZDHMYRBXBHU-HZPDHXFCSA-N 1 3 342.487 3.141 10 0 EGAEHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394981 1377387198 /nfs/dbraw/zinc/38/71/98/1377387198.db2.gz XKNZDHMYRBXBHU-HZPDHXFCSA-N 1 3 342.487 3.141 10 0 EGAEHO Cc1cc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001273131003 1378088610 /nfs/dbraw/zinc/08/86/10/1378088610.db2.gz KADZAIFEVSOCQX-ICSRJNTNSA-N 1 3 347.547 3.182 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001327541236 1388555683 /nfs/dbraw/zinc/55/56/83/1388555683.db2.gz MNKMXVRLJBWAGI-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001327541236 1388555689 /nfs/dbraw/zinc/55/56/89/1388555689.db2.gz MNKMXVRLJBWAGI-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001327862160 1388608085 /nfs/dbraw/zinc/60/80/85/1388608085.db2.gz QZSARXQGOABBTP-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(C)(C)C ZINC001284589642 1379991033 /nfs/dbraw/zinc/99/10/33/1379991033.db2.gz KFJVMIOCQXXVCK-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1ccsc1 ZINC001328283441 1388714231 /nfs/dbraw/zinc/71/42/31/1388714231.db2.gz KZJVWZLQBOIDSF-WMZOPIPTSA-N 1 3 349.544 3.093 10 0 EGAEHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1ccsc1 ZINC001328283435 1388714398 /nfs/dbraw/zinc/71/43/98/1388714398.db2.gz KZJVWZLQBOIDSF-AEFFLSMTSA-N 1 3 349.544 3.093 10 0 EGAEHO C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001328288342 1388717025 /nfs/dbraw/zinc/71/70/25/1388717025.db2.gz ZJUMFABUEHMENS-LPHOPBHVSA-N 1 3 349.494 3.027 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC(C)C)N(C)C ZINC001328692840 1388810405 /nfs/dbraw/zinc/81/04/05/1388810405.db2.gz AMRPKCKCMAYNDT-HSALFYBXSA-N 1 3 345.531 3.135 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001300646466 1383675786 /nfs/dbraw/zinc/67/57/86/1383675786.db2.gz IPWWJVBDXXQDDE-INIZCTEOSA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001300646466 1383675787 /nfs/dbraw/zinc/67/57/87/1383675787.db2.gz IPWWJVBDXXQDDE-INIZCTEOSA-N 1 3 339.568 3.227 10 0 EGAEHO CCC1([NH+]2CCCC2)CCN(CCN(C)Cc2ccccc2)CC1 ZINC001307984169 1384068520 /nfs/dbraw/zinc/06/85/20/1384068520.db2.gz WRDFFTWPJAHTQY-UHFFFAOYSA-N 1 3 329.532 3.459 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001316703472 1384530852 /nfs/dbraw/zinc/53/08/52/1384530852.db2.gz CYGVZTUKJWAPNZ-HBFSDRIKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001316871422 1384656417 /nfs/dbraw/zinc/65/64/17/1384656417.db2.gz XKBLINHTIDVJCL-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001316871422 1384656419 /nfs/dbraw/zinc/65/64/19/1384656419.db2.gz XKBLINHTIDVJCL-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001316997145 1384753962 /nfs/dbraw/zinc/75/39/62/1384753962.db2.gz CKNBVPBXZXMSRZ-ZWKOTPCHSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014364 1384778696 /nfs/dbraw/zinc/77/86/96/1384778696.db2.gz ULRODCNWTWYPTN-QZTJIDSGSA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CCCC1CCCC1 ZINC001317270668 1385041162 /nfs/dbraw/zinc/04/11/62/1385041162.db2.gz JQWVSKPUNNOVSY-QZTJIDSGSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001317346483 1385096334 /nfs/dbraw/zinc/09/63/34/1385096334.db2.gz VMVVCZCMQKXMDR-OALUTQOASA-N 1 3 345.531 3.143 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001317380795 1385107620 /nfs/dbraw/zinc/10/76/20/1385107620.db2.gz HMYYZRFZPBGBQN-CTWPCTMYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC(C)CC2)C1 ZINC001317380795 1385107621 /nfs/dbraw/zinc/10/76/21/1385107621.db2.gz HMYYZRFZPBGBQN-CTWPCTMYSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317678652 1385386213 /nfs/dbraw/zinc/38/62/13/1385386213.db2.gz GSEYIAPXQMMHPX-SFHVURJKSA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC(C)C ZINC001318568623 1385761600 /nfs/dbraw/zinc/76/16/00/1385761600.db2.gz BEFQNIXBLUOQEM-VQIMIIECSA-N 1 3 343.531 3.120 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001318802593 1385857193 /nfs/dbraw/zinc/85/71/93/1385857193.db2.gz ADBBBORNGAITFG-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001318956112 1385895736 /nfs/dbraw/zinc/89/57/36/1385895736.db2.gz KUCLMBZBPGQARP-FHWLQOOXSA-N 1 3 337.552 3.314 10 0 EGAEHO C[C@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCCC1 ZINC001319351590 1386073290 /nfs/dbraw/zinc/07/32/90/1386073290.db2.gz KZYGHQWRMZWOFE-INIZCTEOSA-N 1 3 341.515 3.018 10 0 EGAEHO CCc1ccccc1CN(C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320084244 1386500303 /nfs/dbraw/zinc/50/03/03/1386500303.db2.gz FWZMSOSRDIJJSB-HDICACEKSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccccc1CN(C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320084244 1386500305 /nfs/dbraw/zinc/50/03/05/1386500305.db2.gz FWZMSOSRDIJJSB-HDICACEKSA-N 1 3 345.531 3.012 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001320135008 1386531218 /nfs/dbraw/zinc/53/12/18/1386531218.db2.gz SZNBDQQBZOHXPV-ROUUACIJSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001320416863 1386604136 /nfs/dbraw/zinc/60/41/36/1386604136.db2.gz XKFBODCHXDWLQH-HKUYNNGSSA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001698693497 1406337718 /nfs/dbraw/zinc/33/77/18/1406337718.db2.gz AKJTVXYZTOKCFZ-ROUUACIJSA-N 1 3 339.568 3.229 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001322308258 1387153033 /nfs/dbraw/zinc/15/30/33/1387153033.db2.gz VQUHMWGIDIKENR-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001322308258 1387153036 /nfs/dbraw/zinc/15/30/36/1387153036.db2.gz VQUHMWGIDIKENR-IEBWSBKVSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001329202966 1389020468 /nfs/dbraw/zinc/02/04/68/1389020468.db2.gz PIPLKXAEZQSVAM-DLBZAZTESA-N 1 3 345.531 3.425 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001329860997 1389238274 /nfs/dbraw/zinc/23/82/74/1389238274.db2.gz MBDZFACHAGCUJD-UHFFFAOYSA-N 1 3 349.494 3.076 10 0 EGAEHO CC(C)=CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001330224279 1389348425 /nfs/dbraw/zinc/34/84/25/1389348425.db2.gz VDOPSHOKFLCBCT-SFHVURJKSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644642 1389843352 /nfs/dbraw/zinc/84/33/52/1389843352.db2.gz PYTJYIITYUROLQ-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO C[C@H](NC(=O)CC[NH+](C)C)C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001332999268 1390233789 /nfs/dbraw/zinc/23/37/89/1390233789.db2.gz SQBBQYDVCDCITQ-HOTGVXAUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001333003602 1390234325 /nfs/dbraw/zinc/23/43/25/1390234325.db2.gz BLIKFUQLLXSHRK-LPHOPBHVSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[N@H+](CCC1CCN(Cc2cnn(CCF)c2)CC1)CC1CC1 ZINC001333156939 1390257840 /nfs/dbraw/zinc/25/78/40/1390257840.db2.gz DAJGZUMLOMABOR-UHFFFAOYSA-N 1 3 336.499 3.187 10 0 EGAEHO CC[N@@H+](CCC1CCN(Cc2cnn(CCF)c2)CC1)CC1CC1 ZINC001333156939 1390257841 /nfs/dbraw/zinc/25/78/41/1390257841.db2.gz DAJGZUMLOMABOR-UHFFFAOYSA-N 1 3 336.499 3.187 10 0 EGAEHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1CC(C)(C)C1 ZINC001698778094 1406443713 /nfs/dbraw/zinc/44/37/13/1406443713.db2.gz ONIDKXCXRCXTHI-MRXNPFEDSA-N 1 3 345.531 3.140 10 0 EGAEHO CC1CCC(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCCC2)CC1 ZINC001698798014 1406469258 /nfs/dbraw/zinc/46/92/58/1406469258.db2.gz XQKMUDNXQBIBEU-UHFFFAOYSA-N 1 3 349.563 3.316 10 0 EGAEHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001479401058 1392234756 /nfs/dbraw/zinc/23/47/56/1392234756.db2.gz XBWUSZUVRVPGBP-WGSAOQKQSA-N 1 3 349.563 3.339 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@H+](C)Cc1cc2ccccc2s1 ZINC001479817113 1392409131 /nfs/dbraw/zinc/40/91/31/1392409131.db2.gz ZUQDBWYPSAZIBS-UHFFFAOYSA-N 1 3 347.528 3.180 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)Cc1cc2ccccc2s1 ZINC001479817113 1392409133 /nfs/dbraw/zinc/40/91/33/1392409133.db2.gz ZUQDBWYPSAZIBS-UHFFFAOYSA-N 1 3 347.528 3.180 10 0 EGAEHO C[C@@H](c1ccccc1F)N(C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001479816986 1392409422 /nfs/dbraw/zinc/40/94/22/1392409422.db2.gz YAMFPDXOQJDEKZ-KRWDZBQOSA-N 1 3 349.494 3.201 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1)[NH+](CC)CC ZINC001479910093 1392477604 /nfs/dbraw/zinc/47/76/04/1392477604.db2.gz GHMHVPFAFGJNTQ-MOPGFXCFSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001479984070 1392517049 /nfs/dbraw/zinc/51/70/49/1392517049.db2.gz NWWYPVNQKRVWLZ-KRWDZBQOSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001479985664 1392518318 /nfs/dbraw/zinc/51/83/18/1392518318.db2.gz TXBZLPFJTVLEOP-DSQZMVHQSA-N 1 3 347.547 3.045 10 0 EGAEHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C)N(C)C ZINC001480181843 1392614105 /nfs/dbraw/zinc/61/41/05/1392614105.db2.gz DKSXIXRIXIGSQN-FBVQUNGASA-N 1 3 337.552 3.265 10 0 EGAEHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C)N(C)C ZINC001480181843 1392614110 /nfs/dbraw/zinc/61/41/10/1392614110.db2.gz DKSXIXRIXIGSQN-FBVQUNGASA-N 1 3 337.552 3.265 10 0 EGAEHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)N(C)C ZINC001480182784 1392614285 /nfs/dbraw/zinc/61/42/85/1392614285.db2.gz YOTPGUVBPNZRQK-IPQPSQTFSA-N 1 3 335.536 3.019 10 0 EGAEHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)N(C)C ZINC001480182784 1392614286 /nfs/dbraw/zinc/61/42/86/1392614286.db2.gz YOTPGUVBPNZRQK-IPQPSQTFSA-N 1 3 335.536 3.019 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480296708 1392664484 /nfs/dbraw/zinc/66/44/84/1392664484.db2.gz DAXVJFODMJHQKV-MOPGFXCFSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480296710 1392664531 /nfs/dbraw/zinc/66/45/31/1392664531.db2.gz DAXVJFODMJHQKV-RBUKOAKNSA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001480710508 1392872691 /nfs/dbraw/zinc/87/26/91/1392872691.db2.gz RALNPMQMLZVJQS-RBUKOAKNSA-N 1 3 345.531 3.161 10 0 EGAEHO Cc1ccccc1C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001698922423 1406658206 /nfs/dbraw/zinc/65/82/06/1406658206.db2.gz DSUDYNWIQBIIFO-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001491206585 1394471367 /nfs/dbraw/zinc/47/13/67/1394471367.db2.gz OYJQMBJCTDYPQA-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001491206585 1394471369 /nfs/dbraw/zinc/47/13/69/1394471369.db2.gz OYJQMBJCTDYPQA-RTBURBONSA-N 1 3 337.552 3.410 10 0 EGAEHO CCC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001482002760 1394662523 /nfs/dbraw/zinc/66/25/23/1394662523.db2.gz BREDIHDLUGZZGY-ZMBJWTFHSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001482493916 1395046117 /nfs/dbraw/zinc/04/61/17/1395046117.db2.gz IJCAPYPTUUYSAI-LPHOPBHVSA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007300 1395181529 /nfs/dbraw/zinc/18/15/29/1395181529.db2.gz BGCYYNCNLXHOFG-WOJBJXKFSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)=CCN(C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001484558092 1395440568 /nfs/dbraw/zinc/44/05/68/1395440568.db2.gz ZHJPDFXEPWNXGG-GOSISDBHSA-N 1 3 343.515 3.043 10 0 EGAEHO CC(C)=CCN(C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001484558092 1395440571 /nfs/dbraw/zinc/44/05/71/1395440571.db2.gz ZHJPDFXEPWNXGG-GOSISDBHSA-N 1 3 343.515 3.043 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1)N(C)C ZINC001484723965 1395487422 /nfs/dbraw/zinc/48/74/22/1395487422.db2.gz LTURTAGWUDIRLA-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1)N(C)C ZINC001484723965 1395487426 /nfs/dbraw/zinc/48/74/26/1395487426.db2.gz LTURTAGWUDIRLA-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001485179721 1395688543 /nfs/dbraw/zinc/68/85/43/1395688543.db2.gz JANXRDBUDCWCBV-ZWKOTPCHSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1)N(C)C ZINC001485455643 1395925725 /nfs/dbraw/zinc/92/57/25/1395925725.db2.gz QLUUUVWYVBSCSV-SFHVURJKSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723112 1396118009 /nfs/dbraw/zinc/11/80/09/1396118009.db2.gz XODANTSKXFOWOU-HKUYNNGSSA-N 1 3 349.563 3.314 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959828 1421731509 /nfs/dbraw/zinc/73/15/09/1421731509.db2.gz INGHBJJUMPQCFG-IRXDYDNUSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001491960264 1396300998 /nfs/dbraw/zinc/30/09/98/1396300998.db2.gz SKEYYGVGSQKPMV-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001491960264 1396300999 /nfs/dbraw/zinc/30/09/99/1396300999.db2.gz SKEYYGVGSQKPMV-LJQANCHMSA-N 1 3 335.536 3.142 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001492092603 1396303831 /nfs/dbraw/zinc/30/38/31/1396303831.db2.gz XDWLCHVDEVCXKK-HKUYNNGSSA-N 1 3 335.536 3.234 10 0 EGAEHO CCC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@@H]1CCc2ccccc21 ZINC001493297333 1396339207 /nfs/dbraw/zinc/33/92/07/1396339207.db2.gz RTVDRRPVFISXAX-UXHICEINSA-N 1 3 345.531 3.088 10 0 EGAEHO CCC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@@H]1CCc2ccccc21 ZINC001493297333 1396339208 /nfs/dbraw/zinc/33/92/08/1396339208.db2.gz RTVDRRPVFISXAX-UXHICEINSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001497691191 1396785788 /nfs/dbraw/zinc/78/57/88/1396785788.db2.gz KLGKDMSTRNLSGS-FQQSSWHASA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001731999540 1428209664 /nfs/dbraw/zinc/20/96/64/1428209664.db2.gz FSUBQDHIVZKRQB-QZTJIDSGSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@H+](C)CCC(C)(C)C ZINC001689859649 1404173788 /nfs/dbraw/zinc/17/37/88/1404173788.db2.gz WGCKRDNXYGCWOO-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CCC(C)(C)C ZINC001689859649 1404173790 /nfs/dbraw/zinc/17/37/90/1404173790.db2.gz WGCKRDNXYGCWOO-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001690534096 1404624689 /nfs/dbraw/zinc/62/46/89/1404624689.db2.gz JCUALGJRCXWVEY-UHFFFAOYSA-N 1 3 337.552 3.458 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001690610392 1404651732 /nfs/dbraw/zinc/65/17/32/1404651732.db2.gz MCFOCGPQJCFJFX-VQIMIIECSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001690880841 1404793969 /nfs/dbraw/zinc/79/39/69/1404793969.db2.gz BVRQHGLIWGYHRZ-QGZVFWFLSA-N 1 3 341.499 3.164 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001691194031 1405132305 /nfs/dbraw/zinc/13/23/05/1405132305.db2.gz KAFCOZQOBJLPBE-MSOLQXFVSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001691194031 1405132307 /nfs/dbraw/zinc/13/23/07/1405132307.db2.gz KAFCOZQOBJLPBE-MSOLQXFVSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001691228134 1405168035 /nfs/dbraw/zinc/16/80/35/1405168035.db2.gz OXXYUWQTRZMYDY-IBGZPJMESA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001691228134 1405168039 /nfs/dbraw/zinc/16/80/39/1405168039.db2.gz OXXYUWQTRZMYDY-IBGZPJMESA-N 1 3 349.563 3.266 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691481984 1405295531 /nfs/dbraw/zinc/29/55/31/1405295531.db2.gz XMAIXARSKIHTRP-TZRIAGMCSA-N 1 3 349.563 3.314 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001691585951 1405347492 /nfs/dbraw/zinc/34/74/92/1405347492.db2.gz LXHNPJRWHLVRTK-VLPTVUGRSA-N 1 3 335.536 3.090 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001691620335 1405361327 /nfs/dbraw/zinc/36/13/27/1405361327.db2.gz JKEINUYPFQUDJF-RTBURBONSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001691620332 1405361575 /nfs/dbraw/zinc/36/15/75/1405361575.db2.gz JKEINUYPFQUDJF-MOPGFXCFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001691692457 1405427072 /nfs/dbraw/zinc/42/70/72/1405427072.db2.gz PGHRHFRDMKYPOE-QZTJIDSGSA-N 1 3 339.568 3.226 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1)N(C)C ZINC001691788911 1405498233 /nfs/dbraw/zinc/49/82/33/1405498233.db2.gz XUFSEHWDFLIWLA-RBUKOAKNSA-N 1 3 345.531 3.210 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCC2CCC2)C1 ZINC001691840958 1405552192 /nfs/dbraw/zinc/55/21/92/1405552192.db2.gz MKSDTHNMYKZPSJ-HBFSDRIKSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001692257572 1405885168 /nfs/dbraw/zinc/88/51/68/1405885168.db2.gz JCCQVSCXXAWWHU-XOUUWWQPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001692257572 1405885173 /nfs/dbraw/zinc/88/51/73/1405885173.db2.gz JCCQVSCXXAWWHU-XOUUWWQPSA-N 1 3 349.563 3.388 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001692394367 1405996064 /nfs/dbraw/zinc/99/60/64/1405996064.db2.gz BLJIJRXIHNXDBN-QRVBRYPASA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@H]1C ZINC001692394367 1405996066 /nfs/dbraw/zinc/99/60/66/1405996066.db2.gz BLJIJRXIHNXDBN-QRVBRYPASA-N 1 3 337.552 3.410 10 0 EGAEHO CC(C)[N@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CC2(CCC2)C1 ZINC001732009064 1428222948 /nfs/dbraw/zinc/22/29/48/1428222948.db2.gz BJAQZLICUYWOOF-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)CC1CC2(CCC2)C1 ZINC001732009064 1428222950 /nfs/dbraw/zinc/22/29/50/1428222950.db2.gz BJAQZLICUYWOOF-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598801 1406223953 /nfs/dbraw/zinc/22/39/53/1406223953.db2.gz ZVQXRSCMTNADSF-VQTJNVASSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001732202180 1428453055 /nfs/dbraw/zinc/45/30/55/1428453055.db2.gz YGLKUUJENDBOIM-GOSISDBHSA-N 1 3 345.531 3.081 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732212156 1428460115 /nfs/dbraw/zinc/46/01/15/1428460115.db2.gz PRWUHGRXIFBBJQ-BUFKOALHSA-N 1 3 341.515 3.040 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222827 1428471635 /nfs/dbraw/zinc/47/16/35/1428471635.db2.gz KWZXFRJRAYBYRE-MOPGFXCFSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]CC2CCC3(CC3)CC2)CCCC1)N(C)C ZINC001732234601 1428480907 /nfs/dbraw/zinc/48/09/07/1428480907.db2.gz MZBVVXJXTSSKKY-SFHVURJKSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001732373653 1428553650 /nfs/dbraw/zinc/55/36/50/1428553650.db2.gz RDPLOGKIGWXTSX-QGZVFWFLSA-N 1 3 341.499 3.022 10 0 EGAEHO Cc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CN(C)C(C)C)cc1 ZINC001732516223 1428635314 /nfs/dbraw/zinc/63/53/14/1428635314.db2.gz IPNCZDQDRKUAOX-FQEVSTJZSA-N 1 3 345.531 3.196 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1ccccc1Cl ZINC001699160524 1412544259 /nfs/dbraw/zinc/54/42/59/1412544259.db2.gz RJZBVDLTLSWLFI-LSDHHAIUSA-N 1 3 339.911 3.226 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001699160198 1412544322 /nfs/dbraw/zinc/54/43/22/1412544322.db2.gz RBJJFZYJJPCKPZ-QZTJIDSGSA-N 1 3 333.520 3.189 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC001699160522 1412544425 /nfs/dbraw/zinc/54/44/25/1412544425.db2.gz RJZBVDLTLSWLFI-GJZGRUSLSA-N 1 3 339.911 3.226 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001699160197 1412544535 /nfs/dbraw/zinc/54/45/35/1412544535.db2.gz RBJJFZYJJPCKPZ-MSOLQXFVSA-N 1 3 333.520 3.189 10 0 EGAEHO CCN(CC[NH2+]CCCC(C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001699204610 1412572947 /nfs/dbraw/zinc/57/29/47/1412572947.db2.gz PKGNRWAYROLORF-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCCCN1CC ZINC001699220617 1412584630 /nfs/dbraw/zinc/58/46/30/1412584630.db2.gz XXMBUFLUMBWLKG-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC001699336550 1412646856 /nfs/dbraw/zinc/64/68/56/1412646856.db2.gz SFQFJVCVJNYRRA-PIGHNIFASA-N 1 3 349.906 3.005 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC001699336550 1412646859 /nfs/dbraw/zinc/64/68/59/1412646859.db2.gz SFQFJVCVJNYRRA-PIGHNIFASA-N 1 3 349.906 3.005 10 0 EGAEHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001699346904 1412655994 /nfs/dbraw/zinc/65/59/94/1412655994.db2.gz WJXBMZYQFHTGOR-FPLPWBNLSA-N 1 3 345.531 3.086 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699474909 1412867146 /nfs/dbraw/zinc/86/71/46/1412867146.db2.gz YDZRCDCPEWKRRO-GJZGRUSLSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699474909 1412867152 /nfs/dbraw/zinc/86/71/52/1412867152.db2.gz YDZRCDCPEWKRRO-GJZGRUSLSA-N 1 3 339.911 3.178 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486275 1412882221 /nfs/dbraw/zinc/88/22/21/1412882221.db2.gz GUEZKXCGUXBSBN-OALUTQOASA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001699678864 1413073586 /nfs/dbraw/zinc/07/35/86/1413073586.db2.gz OIOBCTVETLGSGL-CSNJMZFVSA-N 1 3 335.536 3.019 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001699770206 1413176272 /nfs/dbraw/zinc/17/62/72/1413176272.db2.gz FXOMLZOEUZIHJY-QGZVFWFLSA-N 1 3 349.544 3.093 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001699770206 1413176275 /nfs/dbraw/zinc/17/62/75/1413176275.db2.gz FXOMLZOEUZIHJY-QGZVFWFLSA-N 1 3 349.544 3.093 10 0 EGAEHO CC(C)[C@@H](C(=O)NCc1ccc([C@H](C)NCCF)cc1)[NH+]1CCCC1 ZINC001700100528 1413517441 /nfs/dbraw/zinc/51/74/41/1413517441.db2.gz VRTGSFQWEUDONA-LPHOPBHVSA-N 1 3 349.494 3.043 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001700124963 1413541056 /nfs/dbraw/zinc/54/10/56/1413541056.db2.gz JSGDFNWEKXHOKD-WYNBNGFRSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001700323662 1413792254 /nfs/dbraw/zinc/79/22/54/1413792254.db2.gz JXOLCAQVEZCGCB-IRXDYDNUSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001700323662 1413792258 /nfs/dbraw/zinc/79/22/58/1413792258.db2.gz JXOLCAQVEZCGCB-IRXDYDNUSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001700645239 1414310479 /nfs/dbraw/zinc/31/04/79/1414310479.db2.gz CMYMKVPNJKOCIW-RDGPPVDQSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734827 1428936007 /nfs/dbraw/zinc/93/60/07/1428936007.db2.gz UEEMIWGXJGILIK-FUHWJXTLSA-N 1 3 337.552 3.170 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001732909055 1429042259 /nfs/dbraw/zinc/04/22/59/1429042259.db2.gz QQTQFGVNARCZCB-NDDJGDGRSA-N 1 3 349.563 3.482 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001707242834 1417262774 /nfs/dbraw/zinc/26/27/74/1417262774.db2.gz XAVUCJRGPIRNEX-RBUKOAKNSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cccc(C)c1 ZINC001707452286 1417356487 /nfs/dbraw/zinc/35/64/87/1417356487.db2.gz OOMJKYLLGWNQJF-GOSISDBHSA-N 1 3 345.531 3.369 10 0 EGAEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cccc(C)c1 ZINC001707452286 1417356491 /nfs/dbraw/zinc/35/64/91/1417356491.db2.gz OOMJKYLLGWNQJF-GOSISDBHSA-N 1 3 345.531 3.369 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001733054023 1429195257 /nfs/dbraw/zinc/19/52/57/1429195257.db2.gz LVSFQPCPOHIVDI-WMZOPIPTSA-N 1 3 325.541 3.122 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001733054023 1429195258 /nfs/dbraw/zinc/19/52/58/1429195258.db2.gz LVSFQPCPOHIVDI-WMZOPIPTSA-N 1 3 325.541 3.122 10 0 EGAEHO CCCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713102132 1417656220 /nfs/dbraw/zinc/65/62/20/1417656220.db2.gz MYMGJOYMKNUCJT-ROUUACIJSA-N 1 3 349.563 3.362 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001713379023 1417989370 /nfs/dbraw/zinc/98/93/70/1417989370.db2.gz MWZKAMGKMYLPOE-BTFXCVNISA-N 1 3 337.552 3.338 10 0 EGAEHO CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001713417353 1418041116 /nfs/dbraw/zinc/04/11/16/1418041116.db2.gz OQHLWCABDUQZID-ZUZVGCLLSA-N 1 3 341.515 3.040 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001713478350 1418161737 /nfs/dbraw/zinc/16/17/37/1418161737.db2.gz YONOZTLCFZLZIQ-KRWDZBQOSA-N 1 3 341.499 3.289 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001713478350 1418161739 /nfs/dbraw/zinc/16/17/39/1418161739.db2.gz YONOZTLCFZLZIQ-KRWDZBQOSA-N 1 3 341.499 3.289 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001713478351 1418162379 /nfs/dbraw/zinc/16/23/79/1418162379.db2.gz YONOZTLCFZLZIQ-QGZVFWFLSA-N 1 3 341.499 3.289 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001713478351 1418162380 /nfs/dbraw/zinc/16/23/80/1418162380.db2.gz YONOZTLCFZLZIQ-QGZVFWFLSA-N 1 3 341.499 3.289 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001713535038 1418287659 /nfs/dbraw/zinc/28/76/59/1418287659.db2.gz YUBLKXCIMXLYBE-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)N1CCCC1 ZINC001713535038 1418287661 /nfs/dbraw/zinc/28/76/61/1418287661.db2.gz YUBLKXCIMXLYBE-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001713700153 1418457463 /nfs/dbraw/zinc/45/74/63/1418457463.db2.gz BJDFDPFBFGSWIB-YLJYHZDGSA-N 1 3 349.494 3.054 10 0 EGAEHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714081494 1418875413 /nfs/dbraw/zinc/87/54/13/1418875413.db2.gz YECQMOUWDHWRGH-LJQANCHMSA-N 1 3 345.531 3.279 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)N(CC)CC ZINC001714115743 1418918021 /nfs/dbraw/zinc/91/80/21/1418918021.db2.gz UFDBPFMWGHKFBE-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCC1)N(CC)CC ZINC001714115743 1418918027 /nfs/dbraw/zinc/91/80/27/1418918027.db2.gz UFDBPFMWGHKFBE-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)(C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1)N1CCCC1 ZINC001714321125 1419099821 /nfs/dbraw/zinc/09/98/21/1419099821.db2.gz OBDFYYKJLFYCDO-UHFFFAOYSA-N 1 3 343.515 3.067 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001714395614 1419141491 /nfs/dbraw/zinc/14/14/91/1419141491.db2.gz DZNMEXLQNMOZRT-PKOBYXMFSA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)N1CCCC1 ZINC001714501179 1419227367 /nfs/dbraw/zinc/22/73/67/1419227367.db2.gz ZSXJSJMMMRVUMH-UHFFFAOYSA-N 1 3 335.536 3.070 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862428 1419585695 /nfs/dbraw/zinc/58/56/95/1419585695.db2.gz GMMIAXXANPXEOM-VOFKWLDRSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862428 1419585713 /nfs/dbraw/zinc/58/57/13/1419585713.db2.gz GMMIAXXANPXEOM-VOFKWLDRSA-N 1 3 349.563 3.435 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCCN2CC)cc1 ZINC001714881990 1419619387 /nfs/dbraw/zinc/61/93/87/1419619387.db2.gz PSCGBPYLXCJUIX-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1 ZINC001714910109 1419655182 /nfs/dbraw/zinc/65/51/82/1419655182.db2.gz SSPTUQMWAODMFR-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1 ZINC001714910109 1419655183 /nfs/dbraw/zinc/65/51/83/1419655183.db2.gz SSPTUQMWAODMFR-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO Cc1cccc([C@H](C)N2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001714922871 1419675643 /nfs/dbraw/zinc/67/56/43/1419675643.db2.gz XMPGINSSLYAHPS-AZUAARDMSA-N 1 3 345.531 3.369 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001715075616 1419810485 /nfs/dbraw/zinc/81/04/85/1419810485.db2.gz OYJJETSMFHOABH-IRXDYDNUSA-N 1 3 325.541 3.172 10 0 EGAEHO CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001715190769 1419923063 /nfs/dbraw/zinc/92/30/63/1419923063.db2.gz KTEMYYIAZSSYNY-CAMMJAKZSA-N 1 3 337.552 3.312 10 0 EGAEHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccsc1)C1CCC1 ZINC001715436970 1420122876 /nfs/dbraw/zinc/12/28/76/1420122876.db2.gz WDQCFDIQZUUATG-GOSISDBHSA-N 1 3 349.544 3.093 10 0 EGAEHO C[C@@H]([NH2+]C/C=C\CNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001716307284 1420599618 /nfs/dbraw/zinc/59/96/18/1420599618.db2.gz WNWQEYKYNWFDRR-ABCZVMIZSA-N 1 3 349.906 3.147 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001716477312 1420693029 /nfs/dbraw/zinc/69/30/29/1420693029.db2.gz FKFYTTJFEKDYDM-OFCQAKPVSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1 ZINC001716477312 1420693031 /nfs/dbraw/zinc/69/30/31/1420693031.db2.gz FKFYTTJFEKDYDM-OFCQAKPVSA-N 1 3 343.515 3.009 10 0 EGAEHO C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001716494784 1420717830 /nfs/dbraw/zinc/71/78/30/1420717830.db2.gz BCQMXEYAMKSTQA-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001716494784 1420717832 /nfs/dbraw/zinc/71/78/32/1420717832.db2.gz BCQMXEYAMKSTQA-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716496057 1420719840 /nfs/dbraw/zinc/71/98/40/1420719840.db2.gz NULCJBRBVSBBJD-HNAYVOBHSA-N 1 3 343.531 3.072 10 0 EGAEHO CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716496057 1420719841 /nfs/dbraw/zinc/71/98/41/1420719841.db2.gz NULCJBRBVSBBJD-HNAYVOBHSA-N 1 3 343.531 3.072 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCC1 ZINC001716507702 1420739470 /nfs/dbraw/zinc/73/94/70/1420739470.db2.gz GDIIKFGDURBXEF-PKOBYXMFSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCCC1 ZINC001716507702 1420739471 /nfs/dbraw/zinc/73/94/71/1420739471.db2.gz GDIIKFGDURBXEF-PKOBYXMFSA-N 1 3 337.552 3.268 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]CC2=CCCCC2)c1 ZINC001716585864 1420769046 /nfs/dbraw/zinc/76/90/46/1420769046.db2.gz IEPPBSANHSSBAE-UHFFFAOYSA-N 1 3 343.515 3.300 10 0 EGAEHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001716634697 1420792711 /nfs/dbraw/zinc/79/27/11/1420792711.db2.gz FEFZGGJZBRVVTE-IRXDYDNUSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716651385 1420805319 /nfs/dbraw/zinc/80/53/19/1420805319.db2.gz SGUCERPPOAKRPA-KFONASLZSA-N 1 3 347.547 3.188 10 0 EGAEHO CC/C=C\CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716651385 1420805322 /nfs/dbraw/zinc/80/53/22/1420805322.db2.gz SGUCERPPOAKRPA-KFONASLZSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707509 1420861398 /nfs/dbraw/zinc/86/13/98/1420861398.db2.gz ZOWRTHAKDSWOKY-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001716707509 1420861400 /nfs/dbraw/zinc/86/14/00/1420861400.db2.gz ZOWRTHAKDSWOKY-ICSRJNTNSA-N 1 3 349.563 3.364 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724034 1420881573 /nfs/dbraw/zinc/88/15/73/1420881573.db2.gz BNLPRHMOAXCSIP-RRFGBZISSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001716724034 1420881575 /nfs/dbraw/zinc/88/15/75/1420881575.db2.gz BNLPRHMOAXCSIP-RRFGBZISSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001716888635 1421012156 /nfs/dbraw/zinc/01/21/56/1421012156.db2.gz YCPLNCYVYUDBEO-LJQANCHMSA-N 1 3 349.563 3.435 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001717242275 1421210862 /nfs/dbraw/zinc/21/08/62/1421210862.db2.gz SEHSKXZCRJXELO-CTWPCTMYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309379 1421252019 /nfs/dbraw/zinc/25/20/19/1421252019.db2.gz LMRNMANMFXBRDF-XSAZBNQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)C(C)(C)C1 ZINC001717309379 1421252021 /nfs/dbraw/zinc/25/20/21/1421252021.db2.gz LMRNMANMFXBRDF-XSAZBNQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717486638 1421423654 /nfs/dbraw/zinc/42/36/54/1421423654.db2.gz BLXQNJFMTPURFE-LPHOPBHVSA-N 1 3 343.531 3.216 10 0 EGAEHO CCCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717486638 1421423657 /nfs/dbraw/zinc/42/36/57/1421423657.db2.gz BLXQNJFMTPURFE-LPHOPBHVSA-N 1 3 343.531 3.216 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744405 1421608027 /nfs/dbraw/zinc/60/80/27/1421608027.db2.gz AQPWTDGJMWQQJM-QFBILLFUSA-N 1 3 349.494 3.025 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001717831057 1421643486 /nfs/dbraw/zinc/64/34/86/1421643486.db2.gz WRBXMMOHCDFITF-APWZRJJASA-N 1 3 345.531 3.377 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414060 1429617520 /nfs/dbraw/zinc/61/75/20/1429617520.db2.gz XDDCEOWGCSQQFP-AZUAARDMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N(CC)CC ZINC001733414060 1429617521 /nfs/dbraw/zinc/61/75/21/1429617521.db2.gz XDDCEOWGCSQQFP-AZUAARDMSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001723690729 1424532271 /nfs/dbraw/zinc/53/22/71/1424532271.db2.gz JIUDBUXYKSWODM-OAQYLSRUSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC001723690729 1424532291 /nfs/dbraw/zinc/53/22/91/1424532291.db2.gz JIUDBUXYKSWODM-OAQYLSRUSA-N 1 3 347.547 3.142 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001723864539 1424592699 /nfs/dbraw/zinc/59/26/99/1424592699.db2.gz WOKFUHFFOWDEJV-AEFFLSMTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533233 1429739878 /nfs/dbraw/zinc/73/98/78/1429739878.db2.gz ITBRWSIYYUKIGJ-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CC(C[NH2+]C[C@H](NC(=O)C(C)(C)N2CCCC2)C2CCCC2)C1 ZINC001724097543 1424660635 /nfs/dbraw/zinc/66/06/35/1424660635.db2.gz LLWBBFKWIBHGKH-TVPLGVNVSA-N 1 3 349.563 3.172 10 0 EGAEHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001724325285 1424815138 /nfs/dbraw/zinc/81/51/38/1424815138.db2.gz XDKAXRYWGGVOMO-QUCCMNQESA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001724325285 1424815148 /nfs/dbraw/zinc/81/51/48/1424815148.db2.gz XDKAXRYWGGVOMO-QUCCMNQESA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512327 1424889380 /nfs/dbraw/zinc/88/93/80/1424889380.db2.gz ROGHWVPIISZZBF-WOJBJXKFSA-N 1 3 345.531 3.279 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749464 1425119006 /nfs/dbraw/zinc/11/90/06/1425119006.db2.gz MYAMDJHMCTVQPF-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2cccc(CC)c2)CC1 ZINC001724960904 1425349198 /nfs/dbraw/zinc/34/91/98/1425349198.db2.gz GBKZOANMVROTHT-UHFFFAOYSA-N 1 3 345.531 3.062 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725057415 1425494651 /nfs/dbraw/zinc/49/46/51/1425494651.db2.gz HJSKCPSTCUHJCH-HXUWFJFHSA-N 1 3 343.515 3.251 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001725057415 1425494655 /nfs/dbraw/zinc/49/46/55/1425494655.db2.gz HJSKCPSTCUHJCH-HXUWFJFHSA-N 1 3 343.515 3.251 10 0 EGAEHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001725172337 1425682656 /nfs/dbraw/zinc/68/26/56/1425682656.db2.gz LADKODODYPBYDO-SFHVURJKSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001725172337 1425682661 /nfs/dbraw/zinc/68/26/61/1425682661.db2.gz LADKODODYPBYDO-SFHVURJKSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N(CC[N@H+](C)CCC1CCCCC1)C(=O)CN1CCCC1 ZINC001725733845 1426406786 /nfs/dbraw/zinc/40/67/86/1426406786.db2.gz SZSCSEXPGFDXDJ-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CC(C)N(CC[N@@H+](C)CCC1CCCCC1)C(=O)CN1CCCC1 ZINC001725733845 1426406789 /nfs/dbraw/zinc/40/67/89/1426406789.db2.gz SZSCSEXPGFDXDJ-UHFFFAOYSA-N 1 3 337.552 3.221 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)CC1CC2(CCC2)C1 ZINC001731324202 1427264655 /nfs/dbraw/zinc/26/46/55/1427264655.db2.gz ULRLTGFJFYBJBV-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001731324202 1427264659 /nfs/dbraw/zinc/26/46/59/1427264659.db2.gz ULRLTGFJFYBJBV-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731712469 1427771911 /nfs/dbraw/zinc/77/19/11/1427771911.db2.gz RKJAVJMWONSDCA-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001731712469 1427771916 /nfs/dbraw/zinc/77/19/16/1427771916.db2.gz RKJAVJMWONSDCA-SFHVURJKSA-N 1 3 339.568 3.323 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001731795390 1427947590 /nfs/dbraw/zinc/94/75/90/1427947590.db2.gz GKYAAIJLQMWALI-UHFFFAOYSA-N 1 3 339.568 3.227 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001731795390 1427947592 /nfs/dbraw/zinc/94/75/92/1427947592.db2.gz GKYAAIJLQMWALI-UHFFFAOYSA-N 1 3 339.568 3.227 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001733665106 1429858236 /nfs/dbraw/zinc/85/82/36/1429858236.db2.gz CPPCCBQEGSPINC-SFHVURJKSA-N 1 3 346.519 3.141 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677613 1429876923 /nfs/dbraw/zinc/87/69/23/1429876923.db2.gz RYOBAASKQVKMTE-VQTJNVASSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001733691528 1429908292 /nfs/dbraw/zinc/90/82/92/1429908292.db2.gz IYRYQURQRRBQAX-VJANTYMQSA-N 1 3 337.552 3.314 10 0 EGAEHO CC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001734187806 1437930993 /nfs/dbraw/zinc/93/09/93/1437930993.db2.gz HPMSPIUNPPFDTC-CXLTZZKYSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001734187806 1437930995 /nfs/dbraw/zinc/93/09/95/1437930995.db2.gz HPMSPIUNPPFDTC-CXLTZZKYSA-N 1 3 347.547 3.044 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481876 1438127461 /nfs/dbraw/zinc/12/74/61/1438127461.db2.gz MSVDVWMUJAUHLV-RBUKOAKNSA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC001734575107 1438168374 /nfs/dbraw/zinc/16/83/74/1438168374.db2.gz GMMLPTWVMLQWTB-QTJNJRLBSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000081333711 217383598 /nfs/dbraw/zinc/38/35/98/217383598.db2.gz PLLGOVHWLVYQRQ-IBGZPJMESA-N 1 3 343.515 3.086 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000268704299 252154844 /nfs/dbraw/zinc/15/48/44/252154844.db2.gz HIOPWBWLQDOEBX-HOJAQTOUSA-N 1 3 341.499 3.383 10 0 EGAEHO C[C@@H](CC(=O)N(C)c1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000268809736 252261399 /nfs/dbraw/zinc/26/13/99/252261399.db2.gz APHKQWRSUOCPMH-INIZCTEOSA-N 1 3 329.488 3.035 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000104136960 285202125 /nfs/dbraw/zinc/20/21/25/285202125.db2.gz RCDSAGATYQRNEA-FQEVSTJZSA-N 1 3 343.515 3.163 10 0 EGAEHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488147 141122391 /nfs/dbraw/zinc/12/23/91/141122391.db2.gz MHFLHDCYTXKBQJ-PXNSSMCTSA-N 1 3 328.500 3.303 10 0 EGAEHO CN1CCC(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000346874888 141209315 /nfs/dbraw/zinc/20/93/15/141209315.db2.gz IHFWOVYDFHPJDN-UHFFFAOYSA-N 1 3 343.515 3.021 10 0 EGAEHO COc1ccc([C@@H]2[C@@H](CN[C@H](C)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000095982627 286365431 /nfs/dbraw/zinc/36/54/31/286365431.db2.gz QERKCKAFEGHNIQ-XFQXTVEOSA-N 1 3 325.456 3.434 10 0 EGAEHO COc1ccc([C@@H]2[C@@H](CN[C@H](C)c3ccncc3)CC[N@H+]2C)cc1 ZINC000095982627 286365432 /nfs/dbraw/zinc/36/54/32/286365432.db2.gz QERKCKAFEGHNIQ-XFQXTVEOSA-N 1 3 325.456 3.434 10 0 EGAEHO Cc1ccncc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000354134134 165972794 /nfs/dbraw/zinc/97/27/94/165972794.db2.gz OOKUVSYFUIGQIC-UHFFFAOYSA-N 1 3 338.499 3.082 10 0 EGAEHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000131185046 162394128 /nfs/dbraw/zinc/39/41/28/162394128.db2.gz NNHFBWOBHRQVTP-FQEVSTJZSA-N 1 3 347.572 3.070 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367599183 168246924 /nfs/dbraw/zinc/24/69/24/168246924.db2.gz GXLTWDYYSHGYOR-BMGDILEWSA-N 1 3 349.906 3.439 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367599183 168246926 /nfs/dbraw/zinc/24/69/26/168246926.db2.gz GXLTWDYYSHGYOR-BMGDILEWSA-N 1 3 349.906 3.439 10 0 EGAEHO C[C@@H]1C[C@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000123584550 222300830 /nfs/dbraw/zinc/30/08/30/222300830.db2.gz JVIPZSHWQYRNLS-NVXWUHKLSA-N 1 3 328.460 3.084 10 0 EGAEHO C[C@@H]1C[C@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123584550 222300833 /nfs/dbraw/zinc/30/08/33/222300833.db2.gz JVIPZSHWQYRNLS-NVXWUHKLSA-N 1 3 328.460 3.084 10 0 EGAEHO COC(=O)c1ccc(-c2ccc(CNCCCC[NH+](C)C)o2)cc1 ZINC000274855922 267297140 /nfs/dbraw/zinc/29/71/40/267297140.db2.gz QOGJRMDAGMRZBN-UHFFFAOYSA-N 1 3 330.428 3.165 10 0 EGAEHO C[C@@H]([NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CCC(F)(F)CC1 ZINC000353311898 277615273 /nfs/dbraw/zinc/61/52/73/277615273.db2.gz HRMVAHFNSBBABY-OAHLLOKOSA-N 1 3 343.506 3.349 10 0 EGAEHO COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000338634253 278020817 /nfs/dbraw/zinc/02/08/17/278020817.db2.gz UZVWZGVPPVQVFG-JRGCBEDISA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCC[N@H+]3C)CCN2C2CC2)c1 ZINC000338634253 278020818 /nfs/dbraw/zinc/02/08/18/278020818.db2.gz UZVWZGVPPVQVFG-JRGCBEDISA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@@H]([NH2+]CC[C@H]3CCCN3C)CCN2C2CC2)c1 ZINC000338634253 278020819 /nfs/dbraw/zinc/02/08/19/278020819.db2.gz UZVWZGVPPVQVFG-JRGCBEDISA-N 1 3 343.515 3.047 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414555089 309088711 /nfs/dbraw/zinc/08/87/11/309088711.db2.gz LYNXEIUVTWXXFI-AEFFLSMTSA-N 1 3 340.552 3.043 10 0 EGAEHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414555089 309088712 /nfs/dbraw/zinc/08/87/12/309088712.db2.gz LYNXEIUVTWXXFI-AEFFLSMTSA-N 1 3 340.552 3.043 10 0 EGAEHO CCN(CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000327205416 308771299 /nfs/dbraw/zinc/77/12/99/308771299.db2.gz GFGFCKCSFHGNQD-HXUWFJFHSA-N 1 3 339.483 3.001 10 0 EGAEHO Cc1ccc([C@H](C)NCC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397603713 308904629 /nfs/dbraw/zinc/90/46/29/308904629.db2.gz OXGKSSJYZRGOFQ-KRWDZBQOSA-N 1 3 328.456 3.266 10 0 EGAEHO Fc1ccc(Br)c(F)c1CNCC[C@H]1CCC[NH2+]C1 ZINC000414850637 309105412 /nfs/dbraw/zinc/10/54/12/309105412.db2.gz ZNTVLOQKOHKKIO-SNVBAGLBSA-N 1 3 333.220 3.207 10 0 EGAEHO Cc1nc2ccc(CNCCC[NH2+]Cc3cccnc3)cc2s1 ZINC000414879516 309107031 /nfs/dbraw/zinc/10/70/31/309107031.db2.gz OXAFYHCCFRZKQA-UHFFFAOYSA-N 1 3 326.469 3.269 10 0 EGAEHO CC(C)C[C@@H](N)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415079082 309118862 /nfs/dbraw/zinc/11/88/62/309118862.db2.gz HEZJDTJVXZQTBN-MAUKXSAKSA-N 1 3 340.471 3.358 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415085352 309119385 /nfs/dbraw/zinc/11/93/85/309119385.db2.gz PZEKCNQIMFDSCK-LBTBCDHLSA-N 1 3 335.442 3.054 10 0 EGAEHO c1csc(-c2noc(CCCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420394422 309286076 /nfs/dbraw/zinc/28/60/76/309286076.db2.gz KMDKNLCBOXIWKU-HUUCEWRRSA-N 1 3 346.500 3.195 10 0 EGAEHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422703097 309363853 /nfs/dbraw/zinc/36/38/53/309363853.db2.gz HAMVHYOADVYECS-LLUDDFSJSA-N 1 3 343.515 3.174 10 0 EGAEHO c1cc2c(s1)CCN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422730441 309365485 /nfs/dbraw/zinc/36/54/85/309365485.db2.gz FAELMWNIPIXLNE-OKZBNKHCSA-N 1 3 333.545 3.007 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)COc1ccc(F)cc1F ZINC000422757173 309366776 /nfs/dbraw/zinc/36/67/76/309366776.db2.gz IFPJIIVCNSSNOH-VXGBXAGGSA-N 1 3 335.398 3.245 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000422757147 309366894 /nfs/dbraw/zinc/36/68/94/309366894.db2.gz IFFPXAYFENPQFO-CVEARBPZSA-N 1 3 327.472 3.352 10 0 EGAEHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(OCC(F)F)c1 ZINC000422940261 309377134 /nfs/dbraw/zinc/37/71/34/309377134.db2.gz GQVHQWHUGFMROP-GFCCVEGCSA-N 1 3 335.398 3.343 10 0 EGAEHO Fc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192367 309389980 /nfs/dbraw/zinc/38/99/80/309389980.db2.gz UQWBZJJZOJZDFV-IJXRJRJASA-N 1 3 331.479 3.305 10 0 EGAEHO N[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232728 309391625 /nfs/dbraw/zinc/39/16/25/309391625.db2.gz CSWNYBYKXZPQSJ-LRSLUSHPSA-N 1 3 335.495 3.472 10 0 EGAEHO N[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000423232728 309391626 /nfs/dbraw/zinc/39/16/26/309391626.db2.gz CSWNYBYKXZPQSJ-LRSLUSHPSA-N 1 3 335.495 3.472 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423293638 309394237 /nfs/dbraw/zinc/39/42/37/309394237.db2.gz RUTIOFHACSIDQR-JKSUJKDBSA-N 1 3 325.456 3.238 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423415916 309399269 /nfs/dbraw/zinc/39/92/69/309399269.db2.gz FGOXXJZCKXHESK-LEOXJPRUSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1NCCc2ccccc21 ZINC000423415916 309399270 /nfs/dbraw/zinc/39/92/70/309399270.db2.gz FGOXXJZCKXHESK-LEOXJPRUSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1NCCc2ccccc21 ZINC000423415916 309399271 /nfs/dbraw/zinc/39/92/71/309399271.db2.gz FGOXXJZCKXHESK-LEOXJPRUSA-N 1 3 349.522 3.374 10 0 EGAEHO C[C@@H](CNCc1cc(C2CC[NH2+]CC2)no1)COCc1ccccc1 ZINC000425901818 309494281 /nfs/dbraw/zinc/49/42/81/309494281.db2.gz QPAKNUBPDMGSLA-INIZCTEOSA-N 1 3 343.471 3.084 10 0 EGAEHO C[S@](=O)C1(C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449299963 310051504 /nfs/dbraw/zinc/05/15/04/310051504.db2.gz BWDSLTNIZUXTDG-QFIPXVFZSA-N 1 3 328.566 3.166 10 0 EGAEHO c1ccc(CN2C[C@H]3CCC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449403271 310059108 /nfs/dbraw/zinc/05/91/08/310059108.db2.gz PGNFHJYSQKTALE-NJDAHSKKSA-N 1 3 326.484 3.223 10 0 EGAEHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490180 310066296 /nfs/dbraw/zinc/06/62/96/310066296.db2.gz WJXIEQUYDNZJDV-FUHWJXTLSA-N 1 3 326.500 3.385 10 0 EGAEHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(CF)CCOCC3)CC2)C1 ZINC000449490180 310066297 /nfs/dbraw/zinc/06/62/97/310066297.db2.gz WJXIEQUYDNZJDV-FUHWJXTLSA-N 1 3 326.500 3.385 10 0 EGAEHO O=C([C@H]1CCCCN1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000449853655 310090767 /nfs/dbraw/zinc/09/07/67/310090767.db2.gz WGAUWUQZIHNCGC-VQTJNVASSA-N 1 3 347.547 3.260 10 0 EGAEHO c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)ccn1 ZINC000474040180 310784200 /nfs/dbraw/zinc/78/42/00/310784200.db2.gz ZLZRWVRQXQGQMG-CEWLAPEOSA-N 1 3 343.515 3.483 10 0 EGAEHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000552248554 315209302 /nfs/dbraw/zinc/20/93/02/315209302.db2.gz KXWQWHCMZIYZCP-KNCCTNLNSA-N 1 3 335.442 3.006 10 0 EGAEHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000552248554 315209305 /nfs/dbraw/zinc/20/93/05/315209305.db2.gz KXWQWHCMZIYZCP-KNCCTNLNSA-N 1 3 335.442 3.006 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000563449627 316023833 /nfs/dbraw/zinc/02/38/33/316023833.db2.gz XKRIYJOTYGDRCS-INIZCTEOSA-N 1 3 332.492 3.038 10 0 EGAEHO CC(C)(C)C[NH+](CC(=O)NC1CCN(C2CC2)CC1)CC(C)(C)C ZINC000581683922 325382704 /nfs/dbraw/zinc/38/27/04/325382704.db2.gz MXYSOSRLODGBMY-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO CN1C(=O)C[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623479927 460571513 /nfs/dbraw/zinc/57/15/13/460571513.db2.gz GNNOUEVRSGSEJZ-XYJFISCASA-N 1 3 349.906 3.074 10 0 EGAEHO CN1C(=O)C[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000623479926 460571665 /nfs/dbraw/zinc/57/16/65/460571665.db2.gz GNNOUEVRSGSEJZ-SOLBZPMBSA-N 1 3 349.906 3.074 10 0 EGAEHO c1csc(CC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC000631836968 460577399 /nfs/dbraw/zinc/57/73/99/460577399.db2.gz KQTWMFZEBSAZAS-UHFFFAOYSA-N 1 3 327.497 3.244 10 0 EGAEHO CC(C)c1ccccc1OC[C@@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056523027 454064213 /nfs/dbraw/zinc/06/42/13/454064213.db2.gz GGJNMPUXSXENKL-IBGZPJMESA-N 1 3 348.531 3.213 10 0 EGAEHO CC[NH+]1CCC(N(C)CCCc2nc(-c3cccs3)no2)CC1 ZINC000077250038 454082379 /nfs/dbraw/zinc/08/23/79/454082379.db2.gz FQFNBXSWXHSNHY-UHFFFAOYSA-N 1 3 334.489 3.147 10 0 EGAEHO C[C@@H]1CCC[C@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246032973 455415686 /nfs/dbraw/zinc/41/56/86/455415686.db2.gz WFLSFSKFAWSXLR-APISQKPESA-N 1 3 333.564 3.446 10 0 EGAEHO C[C@@H]1CCC[C@H](CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000246032973 455415690 /nfs/dbraw/zinc/41/56/90/455415690.db2.gz WFLSFSKFAWSXLR-APISQKPESA-N 1 3 333.564 3.446 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000152981999 454749536 /nfs/dbraw/zinc/74/95/36/454749536.db2.gz ORWRBKIUAQTITA-GIVPXCGWSA-N 1 3 329.532 3.361 10 0 EGAEHO CCC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000162370511 454770666 /nfs/dbraw/zinc/77/06/66/454770666.db2.gz OVSKHBACKXAWAN-UXHICEINSA-N 1 3 345.531 3.087 10 0 EGAEHO CCC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000162370511 454770671 /nfs/dbraw/zinc/77/06/71/454770671.db2.gz OVSKHBACKXAWAN-UXHICEINSA-N 1 3 345.531 3.087 10 0 EGAEHO C(N1C[C@@H]2CCCC[C@@H]2C1)C1(C[NH+]2C[C@H]3CCCC[C@@H]3C2)COC1 ZINC000182219979 455465205 /nfs/dbraw/zinc/46/52/05/455465205.db2.gz KQQJUBWPYMADRW-WTGUMLROSA-N 1 3 332.532 3.247 10 0 EGAEHO C(N1C[C@H]2CCCC[C@@H]2C1)C1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219979 455465208 /nfs/dbraw/zinc/46/52/08/455465208.db2.gz KQQJUBWPYMADRW-WTGUMLROSA-N 1 3 332.532 3.247 10 0 EGAEHO C(N1C[C@H]2CCCC[C@@H]2C1)C1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219979 455465212 /nfs/dbraw/zinc/46/52/12/455465212.db2.gz KQQJUBWPYMADRW-WTGUMLROSA-N 1 3 332.532 3.247 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000125784040 454846536 /nfs/dbraw/zinc/84/65/36/454846536.db2.gz IAKWDFGPTBNSNS-UKRRQHHQSA-N 1 3 342.430 3.459 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@H](C)C1 ZINC000125784040 454846542 /nfs/dbraw/zinc/84/65/42/454846542.db2.gz IAKWDFGPTBNSNS-UKRRQHHQSA-N 1 3 342.430 3.459 10 0 EGAEHO CN1CCCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180097069 455132151 /nfs/dbraw/zinc/13/21/51/455132151.db2.gz AGVGHBLLDJYRAD-LJQANCHMSA-N 1 3 335.923 3.408 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]C[C@@H]2CCN(C4CC4)C2)C3)cc1 ZINC000180107313 455132742 /nfs/dbraw/zinc/13/27/42/455132742.db2.gz SRDOTJUQADLQDH-SWSHNKPGSA-N 1 3 339.527 3.256 10 0 EGAEHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000180106556 455133059 /nfs/dbraw/zinc/13/30/59/455133059.db2.gz BEXBNKSQUNPSOV-IHWFROFDSA-N 1 3 337.467 3.375 10 0 EGAEHO CC[C@H](C)NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180117686 455134824 /nfs/dbraw/zinc/13/48/24/455134824.db2.gz QZCCXLBFKXVQNT-OHSMVPPVSA-N 1 3 343.515 3.076 10 0 EGAEHO CC[C@H](C)NC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180117686 455134827 /nfs/dbraw/zinc/13/48/27/455134827.db2.gz QZCCXLBFKXVQNT-OHSMVPPVSA-N 1 3 343.515 3.076 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000180160487 455141894 /nfs/dbraw/zinc/14/18/94/455141894.db2.gz IQBNEOWUVRWBKG-SLOSICTCSA-N 1 3 339.527 3.397 10 0 EGAEHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCN(C4CC4)C2)C3)cc1 ZINC000245746811 455371378 /nfs/dbraw/zinc/37/13/78/455371378.db2.gz SRDOTJUQADLQDH-KRXUUXHPSA-N 1 3 339.527 3.256 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@](C)(O)c1cccs1 ZINC000269052874 455776900 /nfs/dbraw/zinc/77/69/00/455776900.db2.gz RNXKPUALALHIOC-KPFFTGBYSA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@](C)(O)c1cccs1 ZINC000269052874 455776902 /nfs/dbraw/zinc/77/69/02/455776902.db2.gz RNXKPUALALHIOC-KPFFTGBYSA-N 1 3 344.524 3.456 10 0 EGAEHO CCn1nccc1CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285467241 455851170 /nfs/dbraw/zinc/85/11/70/455851170.db2.gz HGBSRLZPEIMSJS-OAQYLSRUSA-N 1 3 338.499 3.044 10 0 EGAEHO CCn1nccc1CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285467241 455851174 /nfs/dbraw/zinc/85/11/74/455851174.db2.gz HGBSRLZPEIMSJS-OAQYLSRUSA-N 1 3 338.499 3.044 10 0 EGAEHO CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000273190113 456207534 /nfs/dbraw/zinc/20/75/34/456207534.db2.gz GPVTVYMDMSJMIV-BVPXEZJJSA-N 1 3 338.499 3.464 10 0 EGAEHO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000352832219 456345995 /nfs/dbraw/zinc/34/59/95/456345995.db2.gz FESWRPDZCRLHBL-MDKPJZGXSA-N 1 3 328.500 3.335 10 0 EGAEHO c1ccc(CN2C[C@H](C[NH2+][C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464600 456475392 /nfs/dbraw/zinc/47/53/92/456475392.db2.gz GQWCEZXHNRFCLZ-RBUKOAKNSA-N 1 3 346.540 3.010 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000340470087 456479200 /nfs/dbraw/zinc/47/92/00/456479200.db2.gz ZKVBYRWSUIJPJW-PXNSSMCTSA-N 1 3 341.503 3.078 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000340470087 456479207 /nfs/dbraw/zinc/47/92/07/456479207.db2.gz ZKVBYRWSUIJPJW-PXNSSMCTSA-N 1 3 341.503 3.078 10 0 EGAEHO Cn1nccc1-c1ccccc1CNCC(C)(C)C[NH+]1CCCC1 ZINC000353170423 456538422 /nfs/dbraw/zinc/53/84/22/456538422.db2.gz HDPMIXLJHAIMQE-UHFFFAOYSA-N 1 3 326.488 3.299 10 0 EGAEHO Cn1nccc1-c1ccccc1C[NH2+]CC(C)(C)CN1CCCC1 ZINC000353170423 456538427 /nfs/dbraw/zinc/53/84/27/456538427.db2.gz HDPMIXLJHAIMQE-UHFFFAOYSA-N 1 3 326.488 3.299 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000343449293 456628843 /nfs/dbraw/zinc/62/88/43/456628843.db2.gz WARBPICCHZBRAC-GHTZIAJQSA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000343449293 456628847 /nfs/dbraw/zinc/62/88/47/456628847.db2.gz WARBPICCHZBRAC-GHTZIAJQSA-N 1 3 345.531 3.075 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(CC)C2)c2ccccc21 ZINC000283199451 456734848 /nfs/dbraw/zinc/73/48/48/456734848.db2.gz LGAVMFXACUJPQP-KFKAGJAMSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199451 456734856 /nfs/dbraw/zinc/73/48/56/456734856.db2.gz LGAVMFXACUJPQP-KFKAGJAMSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@@H]2CC[N@@H+](CC)C2)c2ccccc21 ZINC000283199451 456734861 /nfs/dbraw/zinc/73/48/61/456734861.db2.gz LGAVMFXACUJPQP-KFKAGJAMSA-N 1 3 330.472 3.100 10 0 EGAEHO CC(=O)NC1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000348758092 456843994 /nfs/dbraw/zinc/84/39/94/456843994.db2.gz YHQFMRMNGBADGN-ZPQVWODMSA-N 1 3 335.536 3.066 10 0 EGAEHO COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCC[N@@H+]3C)CCN2C2CC2)c1 ZINC000338634251 456846300 /nfs/dbraw/zinc/84/63/00/456846300.db2.gz UZVWZGVPPVQVFG-DZFGPLHGSA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCC[N@H+]3C)CCN2C2CC2)c1 ZINC000338634251 456846307 /nfs/dbraw/zinc/84/63/07/456846307.db2.gz UZVWZGVPPVQVFG-DZFGPLHGSA-N 1 3 343.515 3.047 10 0 EGAEHO COc1cccc([C@@H]2[C@@H]([NH2+]CC[C@@H]3CCCN3C)CCN2C2CC2)c1 ZINC000338634251 456846317 /nfs/dbraw/zinc/84/63/17/456846317.db2.gz UZVWZGVPPVQVFG-DZFGPLHGSA-N 1 3 343.515 3.047 10 0 EGAEHO Cc1cc(C)c(NC(=O)CCCN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292151621 456869354 /nfs/dbraw/zinc/86/93/54/456869354.db2.gz NNRCYKXSXKPZTO-NRFANRHFSA-N 1 3 343.515 3.358 10 0 EGAEHO Cc1cc(C)c(NC(=O)CCCN2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000292151621 456869359 /nfs/dbraw/zinc/86/93/59/456869359.db2.gz NNRCYKXSXKPZTO-NRFANRHFSA-N 1 3 343.515 3.358 10 0 EGAEHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000353754192 456891893 /nfs/dbraw/zinc/89/18/93/456891893.db2.gz YQTSIHVPKBCGOK-YOEHRIQHSA-N 1 3 330.501 3.367 10 0 EGAEHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000353754192 456891895 /nfs/dbraw/zinc/89/18/95/456891895.db2.gz YQTSIHVPKBCGOK-YOEHRIQHSA-N 1 3 330.501 3.367 10 0 EGAEHO C[C@@H]1C[C@H](C)N(CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000397340081 457486812 /nfs/dbraw/zinc/48/68/12/457486812.db2.gz VIXOZUJHURYMGF-HZSPNIEDSA-N 1 3 334.489 3.036 10 0 EGAEHO CS[C@H]1CC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000425349720 457510522 /nfs/dbraw/zinc/51/05/22/457510522.db2.gz LCZWJNXWPDOGTE-MOPGFXCFSA-N 1 3 333.545 3.072 10 0 EGAEHO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)C1 ZINC000365667957 457769162 /nfs/dbraw/zinc/76/91/62/457769162.db2.gz OXWFPFYOADISMX-UYAOXDASSA-N 1 3 333.564 3.469 10 0 EGAEHO CC(C)N(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1 ZINC000428849293 458222235 /nfs/dbraw/zinc/22/22/35/458222235.db2.gz KCIFGVBUVJOPRQ-QGZVFWFLSA-N 1 3 343.515 3.201 10 0 EGAEHO C[C@H]1CCC[N@H+](CCCCNCc2ccnn2-c2ccccc2)C1 ZINC000447935640 458368498 /nfs/dbraw/zinc/36/84/98/458368498.db2.gz IMJUPHOAZZQSFL-SFHVURJKSA-N 1 3 326.488 3.474 10 0 EGAEHO C[C@H]1CCC[N@@H+](CCCCNCc2ccnn2-c2ccccc2)C1 ZINC000447935640 458368508 /nfs/dbraw/zinc/36/85/08/458368508.db2.gz IMJUPHOAZZQSFL-SFHVURJKSA-N 1 3 326.488 3.474 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423483575 458440720 /nfs/dbraw/zinc/44/07/20/458440720.db2.gz QHCLKYXHVGRKNF-YRXWBPOGSA-N 1 3 349.469 3.016 10 0 EGAEHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423483575 458440724 /nfs/dbraw/zinc/44/07/24/458440724.db2.gz QHCLKYXHVGRKNF-YRXWBPOGSA-N 1 3 349.469 3.016 10 0 EGAEHO COc1ccccc1C[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423522334 458451170 /nfs/dbraw/zinc/45/11/70/458451170.db2.gz HBGFRAUZCVHFNF-CZGNGVECSA-N 1 3 328.500 3.369 10 0 EGAEHO COc1ccccc1C[C@H](C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423522334 458451172 /nfs/dbraw/zinc/45/11/72/458451172.db2.gz HBGFRAUZCVHFNF-CZGNGVECSA-N 1 3 328.500 3.369 10 0 EGAEHO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)NCCN(C)C ZINC000437788504 458494031 /nfs/dbraw/zinc/49/40/31/458494031.db2.gz UAMHRBCHNDJSAA-AQNXPRMDSA-N 1 3 345.531 3.005 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CCN(c4ccncc4)CC3)C[C@H]2C1 ZINC000424307287 458612095 /nfs/dbraw/zinc/61/20/95/458612095.db2.gz XHWBFTTVDYVUMT-XGPVDZAGSA-N 1 3 329.488 3.091 10 0 EGAEHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000462791717 458655311 /nfs/dbraw/zinc/65/53/11/458655311.db2.gz LYXHISJITRNEOY-XUVXKRRUSA-N 1 3 346.515 3.312 10 0 EGAEHO CC1=CCN(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000548158595 458846775 /nfs/dbraw/zinc/84/67/75/458846775.db2.gz QHBRFIOOOXUVID-FPOVZHCZSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158595 458846776 /nfs/dbraw/zinc/84/67/76/458846776.db2.gz QHBRFIOOOXUVID-FPOVZHCZSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=CCN(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548158595 458846777 /nfs/dbraw/zinc/84/67/77/458846777.db2.gz QHBRFIOOOXUVID-FPOVZHCZSA-N 1 3 327.516 3.139 10 0 EGAEHO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000521322575 459140977 /nfs/dbraw/zinc/14/09/77/459140977.db2.gz XZULLXCHRAYHTF-UYAOXDASSA-N 1 3 333.564 3.328 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000578303779 459177677 /nfs/dbraw/zinc/17/76/77/459177677.db2.gz MOOJNTWZSFFLFI-JMSVASOKSA-N 1 3 343.393 3.010 10 0 EGAEHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC[C@H]1C ZINC000578303779 459177682 /nfs/dbraw/zinc/17/76/82/459177682.db2.gz MOOJNTWZSFFLFI-JMSVASOKSA-N 1 3 343.393 3.010 10 0 EGAEHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000533498795 459244477 /nfs/dbraw/zinc/24/44/77/459244477.db2.gz AUZBRLKDDFZMFW-CQSZACIVSA-N 1 3 345.487 3.321 10 0 EGAEHO CCN1CCN(CCC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000573051515 459616004 /nfs/dbraw/zinc/61/60/04/459616004.db2.gz NYKZQBANLBOUSH-UHFFFAOYSA-N 1 3 331.548 3.144 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000527987448 459789202 /nfs/dbraw/zinc/78/92/02/459789202.db2.gz NAYNUWILTHTWJN-LPHOPBHVSA-N 1 3 331.504 3.265 10 0 EGAEHO COc1ccc(CC[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000527987448 459789207 /nfs/dbraw/zinc/78/92/07/459789207.db2.gz NAYNUWILTHTWJN-LPHOPBHVSA-N 1 3 331.504 3.265 10 0 EGAEHO CN1CC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)CC1(C)C ZINC000623414483 460536028 /nfs/dbraw/zinc/53/60/28/460536028.db2.gz FVKBDLGEDJKAEK-LJQANCHMSA-N 1 3 346.515 3.345 10 0 EGAEHO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000606912576 460760259 /nfs/dbraw/zinc/76/02/59/460760259.db2.gz AZMSQHUUTQNQPO-DYESRHJHSA-N 1 3 348.531 3.294 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000629529475 460797096 /nfs/dbraw/zinc/79/70/96/460797096.db2.gz DLSGMZDVEYNNHO-NSHDSACASA-N 1 3 341.249 3.082 10 0 EGAEHO C[C@@H]1CC2(CN1Cc1coc(-c3ccccc3F)n1)CC[NH2+]CC2 ZINC000629536555 460799764 /nfs/dbraw/zinc/79/97/64/460799764.db2.gz GPDOXXZEFKHCBP-CQSZACIVSA-N 1 3 329.419 3.445 10 0 EGAEHO Fc1ccc(SCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591167 460818471 /nfs/dbraw/zinc/81/84/71/460818471.db2.gz BWXLLLHOEUTJHF-KRWDZBQOSA-N 1 3 338.492 3.008 10 0 EGAEHO CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCN(CC)C1 ZINC000617924943 461024319 /nfs/dbraw/zinc/02/43/19/461024319.db2.gz BMNGAAQGRYGCOW-FQEVSTJZSA-N 1 3 343.515 3.229 10 0 EGAEHO Cc1ccc(CCC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249510 461142415 /nfs/dbraw/zinc/14/24/15/461142415.db2.gz VZOHCGKSMQRIGS-FQEVSTJZSA-N 1 3 328.500 3.161 10 0 EGAEHO Cc1ccc(C)c(OCCN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360645 461155105 /nfs/dbraw/zinc/15/51/05/461155105.db2.gz NKMZXGPLVMIUIC-NSHGMRRFSA-N 1 3 332.488 3.043 10 0 EGAEHO Cc1ccc(C)c(OCCN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360646 461155498 /nfs/dbraw/zinc/15/54/98/461155498.db2.gz NKMZXGPLVMIUIC-QWFCFKBJSA-N 1 3 332.488 3.043 10 0 EGAEHO C[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1CCC[NH3+] ZINC000662315627 461187647 /nfs/dbraw/zinc/18/76/47/461187647.db2.gz UQGKBUHAJFQOBQ-DNVCBOLYSA-N 1 3 330.451 3.351 10 0 EGAEHO C[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CS1 ZINC000655701762 461374707 /nfs/dbraw/zinc/37/47/07/461374707.db2.gz ZLNCKRQSOCSILU-RBUKOAKNSA-N 1 3 347.572 3.463 10 0 EGAEHO CC(C)(C)c1ccc(CC[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1 ZINC000668740889 461410382 /nfs/dbraw/zinc/41/03/82/461410382.db2.gz YFBMXEKQUTYXIP-FQEVSTJZSA-N 1 3 330.516 3.058 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccnn1-c1ccccn1 ZINC000647171421 461540173 /nfs/dbraw/zinc/54/01/73/461540173.db2.gz JNFSGNLLSSPSGK-QGZVFWFLSA-N 1 3 327.476 3.012 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccnn1-c1ccccn1 ZINC000647171421 461540179 /nfs/dbraw/zinc/54/01/79/461540179.db2.gz JNFSGNLLSSPSGK-QGZVFWFLSA-N 1 3 327.476 3.012 10 0 EGAEHO c1cn(-c2csc(CNC[C@@H]3CCC[N@H+](CC4CC4)C3)c2)cn1 ZINC000663345907 461574501 /nfs/dbraw/zinc/57/45/01/461574501.db2.gz OLXQAWNQRPVJSV-INIZCTEOSA-N 1 3 330.501 3.145 10 0 EGAEHO c1cn(-c2csc(CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)c2)cn1 ZINC000663345907 461574510 /nfs/dbraw/zinc/57/45/10/461574510.db2.gz OLXQAWNQRPVJSV-INIZCTEOSA-N 1 3 330.501 3.145 10 0 EGAEHO c1cn(-c2csc(C[NH2+]C[C@@H]3CCCN(CC4CC4)C3)c2)cn1 ZINC000663345907 461574517 /nfs/dbraw/zinc/57/45/17/461574517.db2.gz OLXQAWNQRPVJSV-INIZCTEOSA-N 1 3 330.501 3.145 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCS[C@H]2C)CC1 ZINC000647257981 461593911 /nfs/dbraw/zinc/59/39/11/461593911.db2.gz HNJGFCIQLBCJOZ-FUHWJXTLSA-N 1 3 333.545 3.202 10 0 EGAEHO CN1CC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1(C)C ZINC000631190301 461628649 /nfs/dbraw/zinc/62/86/49/461628649.db2.gz IKMXNVHLSPCJGB-XJKSGUPXSA-N 1 3 328.859 3.365 10 0 EGAEHO CN1CC[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1(C)C ZINC000631190299 461629194 /nfs/dbraw/zinc/62/91/94/461629194.db2.gz IKMXNVHLSPCJGB-CJNGLKHVSA-N 1 3 328.859 3.365 10 0 EGAEHO COC[C@H](CC(C)(C)C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201265 461646514 /nfs/dbraw/zinc/64/65/14/461646514.db2.gz MTQIZKJPYANQDQ-KNBMTAEXSA-N 1 3 332.488 3.283 10 0 EGAEHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663501731 461674821 /nfs/dbraw/zinc/67/48/21/461674821.db2.gz CCDKSVNTZFXRIR-TZMCWYRMSA-N 1 3 341.883 3.029 10 0 EGAEHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663501730 461674898 /nfs/dbraw/zinc/67/48/98/461674898.db2.gz CCDKSVNTZFXRIR-GXTWGEPZSA-N 1 3 341.883 3.029 10 0 EGAEHO Cc1ccccc1-n1nccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782660 461892047 /nfs/dbraw/zinc/89/20/47/461892047.db2.gz IFJNJXBBUYLUHN-IBGZPJMESA-N 1 3 338.499 3.392 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706899 461900380 /nfs/dbraw/zinc/90/03/80/461900380.db2.gz VFCGRZNIPRYJGM-SFHLNBCPSA-N 1 3 344.499 3.194 10 0 EGAEHO CCOc1ccc(CNCc2ccccc2C[NH2+]C)cc1OCC ZINC000650718685 461910871 /nfs/dbraw/zinc/91/08/71/461910871.db2.gz SWSCQGGDXLNGCY-UHFFFAOYSA-N 1 3 328.456 3.493 10 0 EGAEHO COC[C@H](CCC[NH3+])NC1(c2ccccc2Br)CCC1 ZINC000650741441 461928209 /nfs/dbraw/zinc/92/82/09/461928209.db2.gz DPXQRWBMVMLHGA-ZDUSSCGKSA-N 1 3 341.293 3.172 10 0 EGAEHO CC1(C)C[C@H]([NH2+]Cc2ccc3cncn3c2)CN1Cc1ccccc1 ZINC000656980621 461948301 /nfs/dbraw/zinc/94/83/01/461948301.db2.gz ZPNKWPYERVNIMY-IBGZPJMESA-N 1 3 334.467 3.477 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664315656 462015263 /nfs/dbraw/zinc/01/52/63/462015263.db2.gz WBPGGJQNWQSPRY-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664315656 462015270 /nfs/dbraw/zinc/01/52/70/462015270.db2.gz WBPGGJQNWQSPRY-AWEZNQCLSA-N 1 3 340.899 3.042 10 0 EGAEHO CC(C)c1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664314953 462015360 /nfs/dbraw/zinc/01/53/60/462015360.db2.gz PFCUYJKLQCFZAJ-INIZCTEOSA-N 1 3 334.508 3.204 10 0 EGAEHO CC(C)c1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664314953 462015363 /nfs/dbraw/zinc/01/53/63/462015363.db2.gz PFCUYJKLQCFZAJ-INIZCTEOSA-N 1 3 334.508 3.204 10 0 EGAEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(F)F ZINC000667275191 462021979 /nfs/dbraw/zinc/02/19/79/462021979.db2.gz CZQZTYORSUDDNH-ZDUSSCGKSA-N 1 3 342.434 3.018 10 0 EGAEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccccc1C(F)F ZINC000667275191 462021981 /nfs/dbraw/zinc/02/19/81/462021981.db2.gz CZQZTYORSUDDNH-ZDUSSCGKSA-N 1 3 342.434 3.018 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000657387739 462090973 /nfs/dbraw/zinc/09/09/73/462090973.db2.gz ZLPIMKGKXVFWDY-VQTJNVASSA-N 1 3 346.515 3.215 10 0 EGAEHO CCc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657596113 462196137 /nfs/dbraw/zinc/19/61/37/462196137.db2.gz VDFYREZZIATNKL-KRWDZBQOSA-N 1 3 330.497 3.167 10 0 EGAEHO CCc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657596113 462196142 /nfs/dbraw/zinc/19/61/42/462196142.db2.gz VDFYREZZIATNKL-KRWDZBQOSA-N 1 3 330.497 3.167 10 0 EGAEHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)s1 ZINC000657595830 462197604 /nfs/dbraw/zinc/19/76/04/462197604.db2.gz KPKQHKIYYDOKHU-IBGZPJMESA-N 1 3 330.497 3.221 10 0 EGAEHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(C)s1 ZINC000657595830 462197608 /nfs/dbraw/zinc/19/76/08/462197608.db2.gz KPKQHKIYYDOKHU-IBGZPJMESA-N 1 3 330.497 3.221 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000657597023 462198826 /nfs/dbraw/zinc/19/88/26/462198826.db2.gz QTVQONXEHDBIIN-IERDGZPVSA-N 1 3 342.458 3.286 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cc(F)cc(Cl)c3)cc2)C1 ZINC000657597001 462199871 /nfs/dbraw/zinc/19/98/71/462199871.db2.gz QHXLNLJNQADKOM-LJQANCHMSA-N 1 3 348.849 3.336 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cc(F)cc(Cl)c3)cc2)C1 ZINC000657597001 462199880 /nfs/dbraw/zinc/19/98/80/462199880.db2.gz QHXLNLJNQADKOM-LJQANCHMSA-N 1 3 348.849 3.336 10 0 EGAEHO CC[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774127 462261052 /nfs/dbraw/zinc/26/10/52/462261052.db2.gz XHFAQBRQBBZDQQ-SLFFLAALSA-N 1 3 328.500 3.446 10 0 EGAEHO CC[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774127 462261054 /nfs/dbraw/zinc/26/10/54/462261054.db2.gz XHFAQBRQBBZDQQ-SLFFLAALSA-N 1 3 328.500 3.446 10 0 EGAEHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C(C)(C)C(F)F ZINC000657901454 462312156 /nfs/dbraw/zinc/31/21/56/462312156.db2.gz UBFKMNVXYJNGNX-AWEZNQCLSA-N 1 3 340.458 3.413 10 0 EGAEHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1nsc2ccccc12 ZINC000665275215 462380393 /nfs/dbraw/zinc/38/03/93/462380393.db2.gz FKHRNKJQAXZHHP-RDTXWAMCSA-N 1 3 325.481 3.387 10 0 EGAEHO COc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1Br ZINC000665281288 462383566 /nfs/dbraw/zinc/38/35/66/462383566.db2.gz ZFIFGQVZGIWKND-BXUZGUMPSA-N 1 3 329.282 3.482 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H]1CCSc2ccc(F)cc21 ZINC000658107859 462388941 /nfs/dbraw/zinc/38/89/41/462388941.db2.gz LIJHCUJOMCWFEV-WMLDXEAASA-N 1 3 339.524 3.224 10 0 EGAEHO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139931 462403879 /nfs/dbraw/zinc/40/38/79/462403879.db2.gz OPIIORWRJHSXOM-BEFAXECRSA-N 1 3 330.497 3.036 10 0 EGAEHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C[C@H]2C1 ZINC000658167009 462417078 /nfs/dbraw/zinc/41/70/78/462417078.db2.gz WYDUANJBQUHBRP-FXELSEDVSA-N 1 3 343.515 3.087 10 0 EGAEHO CN1CCN(CCCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139284 462447786 /nfs/dbraw/zinc/44/77/86/462447786.db2.gz GOCGRNLRNHFHPY-OAQYLSRUSA-N 1 3 344.547 3.320 10 0 EGAEHO c1ccc(C[N@H+]2CC[C@@]3(CCN(CCC[C@H]4CCOC4)C3)C2)cc1 ZINC000645910627 462464861 /nfs/dbraw/zinc/46/48/61/462464861.db2.gz SNEDZFWTYPPQMQ-LEWJYISDSA-N 1 3 328.500 3.401 10 0 EGAEHO c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCC[C@H]4CCOC4)C3)C2)cc1 ZINC000645910627 462464865 /nfs/dbraw/zinc/46/48/65/462464865.db2.gz SNEDZFWTYPPQMQ-LEWJYISDSA-N 1 3 328.500 3.401 10 0 EGAEHO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000652246184 462488013 /nfs/dbraw/zinc/48/80/13/462488013.db2.gz MSTCUVGFOQYGIQ-IERDGZPVSA-N 1 3 346.515 3.483 10 0 EGAEHO C[C@H](CCSc1ccccc1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106096 462518839 /nfs/dbraw/zinc/51/88/39/462518839.db2.gz KOTRJVDKDHFLAH-QGZVFWFLSA-N 1 3 334.529 3.354 10 0 EGAEHO CCCCC[C@H]1CCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662158035 462532972 /nfs/dbraw/zinc/53/29/72/462532972.db2.gz ZHMQCTBHDXJYEX-SFHVURJKSA-N 1 3 335.536 3.164 10 0 EGAEHO CN(C)CCOc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092785547 546679680 /nfs/dbraw/zinc/67/96/80/546679680.db2.gz SOCSLYFWEAORMZ-FQEVSTJZSA-N 1 3 345.531 3.077 10 0 EGAEHO CCC[NH+]1CCC(N[C@H]2CCCN(c3cccc(OC)c3)C2)CC1 ZINC000128742232 546782646 /nfs/dbraw/zinc/78/26/46/546782646.db2.gz VFZRVWOSPHHGCP-SFHVURJKSA-N 1 3 331.504 3.128 10 0 EGAEHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964246 547862731 /nfs/dbraw/zinc/86/27/31/547862731.db2.gz UMTYNSKETNCWPK-NHYWBVRUSA-N 1 3 334.261 3.085 10 0 EGAEHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN(C)CCCCCC[NH3+] ZINC000872155189 1296773588 /nfs/dbraw/zinc/77/35/88/1296773588.db2.gz GMLHRFZHBFGAAT-OAHLLOKOSA-N 1 3 339.911 3.310 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CCCCCC[NH3+])c1cccc2ccccc21 ZINC000872154972 1296773782 /nfs/dbraw/zinc/77/37/82/1296773782.db2.gz HTMVYJZRBYUOMC-QGZVFWFLSA-N 1 3 341.499 3.468 10 0 EGAEHO CN1CCC[C@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC000301705755 1296792292 /nfs/dbraw/zinc/79/22/92/1296792292.db2.gz YQTKNLHXZOXPIM-SFHVURJKSA-N 1 3 347.503 3.285 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCNCC1(C)C ZINC000311529991 1297107978 /nfs/dbraw/zinc/10/79/78/1297107978.db2.gz XTXVDMCTIJIYAU-DOMZBBRYSA-N 1 3 325.294 3.358 10 0 EGAEHO O=c1[nH]c2ccc(CN3CCC(C[NH+]4CCCCCC4)CC3)cc2[nH]1 ZINC000893940455 1306138052 /nfs/dbraw/zinc/13/80/52/1306138052.db2.gz MVLXWGJSPSLDIJ-UHFFFAOYSA-N 1 3 342.487 3.357 10 0 EGAEHO c1csc(CN2CCC[C@H](C[NH2+][C@@H]3CCCc4cn[nH]c43)C2)c1 ZINC000857850836 1328603781 /nfs/dbraw/zinc/60/37/81/1328603781.db2.gz ALQXCQJTDZXYCA-RHSMWYFYSA-N 1 3 330.501 3.350 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1(C)C ZINC000858144888 1328695535 /nfs/dbraw/zinc/69/55/35/1328695535.db2.gz WAIMNBXPPDYOIL-SMDDNHRTSA-N 1 3 331.287 3.489 10 0 EGAEHO C[N@@H+]1CCC[C@@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842900 1328718119 /nfs/dbraw/zinc/71/81/19/1328718119.db2.gz FNCVPSDWXNRNEP-SJORKVTESA-N 1 3 336.520 3.305 10 0 EGAEHO C[N@H+]1CCC[C@@H]2CN(CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842900 1328718124 /nfs/dbraw/zinc/71/81/24/1328718124.db2.gz FNCVPSDWXNRNEP-SJORKVTESA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@@H]2C[N@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842900 1328718126 /nfs/dbraw/zinc/71/81/26/1328718126.db2.gz FNCVPSDWXNRNEP-SJORKVTESA-N 1 3 336.520 3.305 10 0 EGAEHO CN1CCC[C@@H]2C[N@@H+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842900 1328718130 /nfs/dbraw/zinc/71/81/30/1328718130.db2.gz FNCVPSDWXNRNEP-SJORKVTESA-N 1 3 336.520 3.305 10 0 EGAEHO O=c1cc(CNCc2ccccc2C[NH+]2CCCCCC2)cc[nH]1 ZINC000921734239 1322387109 /nfs/dbraw/zinc/38/71/09/1322387109.db2.gz JLHXLENTCXHOMW-UHFFFAOYSA-N 1 3 325.456 3.453 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](C)CN2CCCCC2)n(C)n1 ZINC000924722262 1323133600 /nfs/dbraw/zinc/13/36/00/1323133600.db2.gz QQNZVBPZJRAVMN-XKGZKEIXSA-N 1 3 332.536 3.151 10 0 EGAEHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480429 1325168412 /nfs/dbraw/zinc/16/84/12/1325168412.db2.gz KINDXLFPZNMANY-IMJJTQAJSA-N 1 3 331.460 3.200 10 0 EGAEHO C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495053 1325176716 /nfs/dbraw/zinc/17/67/16/1325176716.db2.gz XBFYQRFBBPXEOJ-ATZDWAIDSA-N 1 3 347.572 3.253 10 0 EGAEHO CC1CCN([C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506421 1325182239 /nfs/dbraw/zinc/18/22/39/1325182239.db2.gz ZAXDHTZQFGMODZ-BPQIPLTHSA-N 1 3 333.545 3.381 10 0 EGAEHO c1cn(-c2ccccc2)nc1CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925550744 1325203667 /nfs/dbraw/zinc/20/36/67/1325203667.db2.gz OBRARMHCIQDMHT-SFTDATJTSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925550744 1325203676 /nfs/dbraw/zinc/20/36/76/1325203676.db2.gz OBRARMHCIQDMHT-SFTDATJTSA-N 1 3 338.499 3.173 10 0 EGAEHO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925561741 1325211276 /nfs/dbraw/zinc/21/12/76/1325211276.db2.gz DNYGTSRCCJFGDT-KLIQENQMSA-N 1 3 331.479 3.018 10 0 EGAEHO O[C@H](c1ccccc1)C1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925624217 1325234395 /nfs/dbraw/zinc/23/43/95/1325234395.db2.gz WVRZSGVZXDGWLC-XUVXKRRUSA-N 1 3 328.500 3.258 10 0 EGAEHO CN(Cc1ccco1)Cc1ccccc1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925620803 1325234571 /nfs/dbraw/zinc/23/45/71/1325234571.db2.gz BHEGFOAHRMQGBO-PMACEKPBSA-N 1 3 339.483 3.271 10 0 EGAEHO CC1(C)C[C@@H](NCc2cccc(COC[C@@H]3CCCO3)c2)C[C@@H]([NH3+])C1 ZINC000925717836 1325268147 /nfs/dbraw/zinc/26/81/47/1325268147.db2.gz VELRARZTEQUYJP-AABGKKOBSA-N 1 3 346.515 3.378 10 0 EGAEHO O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730157 1325272970 /nfs/dbraw/zinc/27/29/70/1325272970.db2.gz OAACLHQJERWJTQ-OTWHNJEPSA-N 1 3 336.907 3.001 10 0 EGAEHO Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925776815 1325294826 /nfs/dbraw/zinc/29/48/26/1325294826.db2.gz MKSDVFUKPVBRBN-QRTARXTBSA-N 1 3 342.405 3.128 10 0 EGAEHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)CCCS2 ZINC000925775869 1325294967 /nfs/dbraw/zinc/29/49/67/1325294967.db2.gz HVQWYSZLFSRCHS-WFASDCNBSA-N 1 3 342.455 3.457 10 0 EGAEHO Cc1cccc(C[C@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)c1 ZINC000925792260 1325302674 /nfs/dbraw/zinc/30/26/74/1325302674.db2.gz AIRQNNYDCJJVMV-UXHICEINSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1ccc(C[C@@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925792998 1325304930 /nfs/dbraw/zinc/30/49/30/1325304930.db2.gz CVXXWHXGIHEEGQ-WOJBJXKFSA-N 1 3 330.516 3.310 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865835466 1329743675 /nfs/dbraw/zinc/74/36/75/1329743675.db2.gz RGUBNTPBQZFXQD-KSIDHJATSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865835466 1329743677 /nfs/dbraw/zinc/74/36/77/1329743677.db2.gz RGUBNTPBQZFXQD-KSIDHJATSA-N 1 3 347.300 3.304 10 0 EGAEHO CC(C)(C)[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000866702550 1330142443 /nfs/dbraw/zinc/14/24/43/1330142443.db2.gz CGZIBQBGIXGVCU-SFHVURJKSA-N 1 3 337.895 3.366 10 0 EGAEHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000866702550 1330142444 /nfs/dbraw/zinc/14/24/44/1330142444.db2.gz CGZIBQBGIXGVCU-SFHVURJKSA-N 1 3 337.895 3.366 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1CC ZINC001323145463 1387302174 /nfs/dbraw/zinc/30/21/74/1387302174.db2.gz ZBVXKKWPMVQECD-WARJXXDVSA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)C ZINC001323161872 1387305254 /nfs/dbraw/zinc/30/52/54/1387305254.db2.gz QBYDQOSTOYNTKN-ZWKOTPCHSA-N 1 3 339.568 3.227 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171122 1387306375 /nfs/dbraw/zinc/30/63/75/1387306375.db2.gz UEPSILLZTBKQTJ-MOPGFXCFSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1)N(C)C ZINC001324791378 1387774316 /nfs/dbraw/zinc/77/43/16/1387774316.db2.gz WBGCSSWQVHPJOY-AZUAARDMSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H](c1ccccc1F)N1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958759 1387853526 /nfs/dbraw/zinc/85/35/26/1387853526.db2.gz WJCLATJUVWIJPB-JXFKEZNVSA-N 1 3 349.494 3.057 10 0 EGAEHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526460 1377327527 /nfs/dbraw/zinc/32/75/27/1377327527.db2.gz VNYLDIRTKQFNHQ-ROUUACIJSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001266526460 1377327529 /nfs/dbraw/zinc/32/75/29/1377327529.db2.gz VNYLDIRTKQFNHQ-ROUUACIJSA-N 1 3 343.515 3.060 10 0 EGAEHO C[C@H](c1ccccc1F)N1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546301 1377330352 /nfs/dbraw/zinc/33/03/52/1377330352.db2.gz SUAIRLJCKWXKGH-IAGOWNOFSA-N 1 3 349.494 3.057 10 0 EGAEHO CCC[N@H+](CCNC(=O)CN(C)C(C)C)[C@H]1CCCc2ccccc21 ZINC001266579561 1377337155 /nfs/dbraw/zinc/33/71/55/1377337155.db2.gz TUHYMCDERRSDII-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CCC[N@@H+](CCNC(=O)CN(C)C(C)C)[C@H]1CCCc2ccccc21 ZINC001266579561 1377337156 /nfs/dbraw/zinc/33/71/56/1377337156.db2.gz TUHYMCDERRSDII-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CCc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)cc1 ZINC001282167580 1378482871 /nfs/dbraw/zinc/48/28/71/1378482871.db2.gz MHNXBWSBZPLWAO-IRXDYDNUSA-N 1 3 345.531 3.106 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001327541237 1388555948 /nfs/dbraw/zinc/55/59/48/1388555948.db2.gz MNKMXVRLJBWAGI-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001327541237 1388555952 /nfs/dbraw/zinc/55/59/52/1388555952.db2.gz MNKMXVRLJBWAGI-OAQYLSRUSA-N 1 3 349.563 3.223 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C)N1CCCC1 ZINC001284652598 1380067068 /nfs/dbraw/zinc/06/70/68/1380067068.db2.gz KRQJBAMLUZKITD-MSOLQXFVSA-N 1 3 337.552 3.027 10 0 EGAEHO CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001284653444 1380068776 /nfs/dbraw/zinc/06/87/76/1380068776.db2.gz RWNZDDDHLKUYML-SJORKVTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001284818730 1380244059 /nfs/dbraw/zinc/24/40/59/1380244059.db2.gz LDJZNQKZQHSRPA-UHFFFAOYSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)cc1 ZINC001316623828 1384489487 /nfs/dbraw/zinc/48/94/87/1384489487.db2.gz JXRAKBGGJAQMRN-PUZFROQSSA-N 1 3 345.531 3.135 10 0 EGAEHO CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001316679299 1384520561 /nfs/dbraw/zinc/52/05/61/1384520561.db2.gz AVYKBYKWZBMJJV-ROUUACIJSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001316761747 1384563633 /nfs/dbraw/zinc/56/36/33/1384563633.db2.gz ZEEXQASCCIOUPK-AABGKKOBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001316761747 1384563634 /nfs/dbraw/zinc/56/36/34/1384563634.db2.gz ZEEXQASCCIOUPK-AABGKKOBSA-N 1 3 349.563 3.221 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001316997923 1384754898 /nfs/dbraw/zinc/75/48/98/1384754898.db2.gz HVXSQLUXHSESLW-GNBGVQPESA-N 1 3 335.536 3.044 10 0 EGAEHO CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317045302 1384820418 /nfs/dbraw/zinc/82/04/18/1384820418.db2.gz UNTLJFRCJYOIRS-SFHVURJKSA-N 1 3 339.568 3.325 10 0 EGAEHO CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317045302 1384820420 /nfs/dbraw/zinc/82/04/20/1384820420.db2.gz UNTLJFRCJYOIRS-SFHVURJKSA-N 1 3 339.568 3.325 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001317414536 1385124909 /nfs/dbraw/zinc/12/49/09/1385124909.db2.gz ALBYKEYPWLNVRJ-JXYKKQOOSA-N 1 3 343.515 3.059 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416171 1385125809 /nfs/dbraw/zinc/12/58/09/1385125809.db2.gz SOAYCPIXQCLMLO-ICSRJNTNSA-N 1 3 345.531 3.162 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317530722 1385255762 /nfs/dbraw/zinc/25/57/62/1385255762.db2.gz ZAKGICFCFBWOEE-DXPXIUTNSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317530722 1385255764 /nfs/dbraw/zinc/25/57/64/1385255764.db2.gz ZAKGICFCFBWOEE-DXPXIUTNSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H]1C[N@H+](C[C@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774465 1385400580 /nfs/dbraw/zinc/40/05/80/1385400580.db2.gz CZLYGZBJSKKGAC-ZWKOTPCHSA-N 1 3 329.488 3.189 10 0 EGAEHO C[C@H]1C[N@@H+](C[C@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774465 1385400581 /nfs/dbraw/zinc/40/05/81/1385400581.db2.gz CZLYGZBJSKKGAC-ZWKOTPCHSA-N 1 3 329.488 3.189 10 0 EGAEHO C[C@H]1C[N@H+](C[C@@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774464 1385400633 /nfs/dbraw/zinc/40/06/33/1385400633.db2.gz CZLYGZBJSKKGAC-ROUUACIJSA-N 1 3 329.488 3.189 10 0 EGAEHO C[C@H]1C[N@@H+](C[C@@H]2CCCC23CCOCC3)CCN1c1ccncc1 ZINC001175774464 1385400636 /nfs/dbraw/zinc/40/06/36/1385400636.db2.gz CZLYGZBJSKKGAC-ROUUACIJSA-N 1 3 329.488 3.189 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484370 1385716209 /nfs/dbraw/zinc/71/62/09/1385716209.db2.gz YDCSEBDKBYYRAU-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001318484370 1385716212 /nfs/dbraw/zinc/71/62/12/1385716212.db2.gz YDCSEBDKBYYRAU-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)=CC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001318655284 1385819843 /nfs/dbraw/zinc/81/98/43/1385819843.db2.gz CIDYDNYXGKHEJJ-GOSISDBHSA-N 1 3 335.536 3.236 10 0 EGAEHO CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001319008745 1385922230 /nfs/dbraw/zinc/92/22/30/1385922230.db2.gz KIRLWWOMKBNDGW-FXAWDEMLSA-N 1 3 345.531 3.313 10 0 EGAEHO CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001319009101 1385922270 /nfs/dbraw/zinc/92/22/70/1385922270.db2.gz RENVIHSMPIEEGK-IBGZPJMESA-N 1 3 331.504 3.067 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698626721 1406268617 /nfs/dbraw/zinc/26/86/17/1406268617.db2.gz MORYXOKHYPQECO-GOSISDBHSA-N 1 3 335.536 3.068 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001319868268 1386346430 /nfs/dbraw/zinc/34/64/30/1386346430.db2.gz KCMBVOVQGNBVKF-PKOBYXMFSA-N 1 3 335.536 3.044 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2=CCCCC2)CC1 ZINC001319875634 1386351217 /nfs/dbraw/zinc/35/12/17/1386351217.db2.gz XEGBCHSMHQWMME-FQEVSTJZSA-N 1 3 347.547 3.142 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2=CCCCC2)CC1 ZINC001319875634 1386351224 /nfs/dbraw/zinc/35/12/24/1386351224.db2.gz XEGBCHSMHQWMME-FQEVSTJZSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC(C)(C)C)C1 ZINC001320114428 1386522040 /nfs/dbraw/zinc/52/20/40/1386522040.db2.gz LBFSYUHVGTUQFD-ROUUACIJSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC(C)(C)C)C1 ZINC001320114428 1386522042 /nfs/dbraw/zinc/52/20/42/1386522042.db2.gz LBFSYUHVGTUQFD-ROUUACIJSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001320117057 1386524063 /nfs/dbraw/zinc/52/40/63/1386524063.db2.gz WEVBVLIJCVJALN-UXHICEINSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001320117057 1386524066 /nfs/dbraw/zinc/52/40/66/1386524066.db2.gz WEVBVLIJCVJALN-UXHICEINSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001320117055 1386524315 /nfs/dbraw/zinc/52/43/15/1386524315.db2.gz WEVBVLIJCVJALN-PMACEKPBSA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001320117055 1386524320 /nfs/dbraw/zinc/52/43/20/1386524320.db2.gz WEVBVLIJCVJALN-PMACEKPBSA-N 1 3 347.547 3.140 10 0 EGAEHO CCC(CC)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001320156150 1386539843 /nfs/dbraw/zinc/53/98/43/1386539843.db2.gz WOMPJMCHMRJZJM-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)CN(C)C1CCC1 ZINC001321542539 1386926998 /nfs/dbraw/zinc/92/69/98/1386926998.db2.gz VSFMSEUGHLEVEK-MRXNPFEDSA-N 1 3 343.515 3.033 10 0 EGAEHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001321662850 1386953239 /nfs/dbraw/zinc/95/32/39/1386953239.db2.gz KFMHPCVMYJBNRI-YLJYHZDGSA-N 1 3 345.531 3.106 10 0 EGAEHO CC[C@@H](C)C[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC001329818571 1389230482 /nfs/dbraw/zinc/23/04/82/1389230482.db2.gz KXMKVGMAHSXFOV-QZTJIDSGSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001331561547 1389800514 /nfs/dbraw/zinc/80/05/14/1389800514.db2.gz UKIGACDLDQWRDQ-PBHICJAKSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001331617457 1389831044 /nfs/dbraw/zinc/83/10/44/1389831044.db2.gz UKIGACDLDQWRDQ-RHSMWYFYSA-N 1 3 347.528 3.178 10 0 EGAEHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C1)C1CCC1 ZINC001332141749 1390005334 /nfs/dbraw/zinc/00/53/34/1390005334.db2.gz SSWDWFYGQXVBFG-UHOSZYNNSA-N 1 3 349.563 3.124 10 0 EGAEHO CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001698762453 1406416985 /nfs/dbraw/zinc/41/69/85/1406416985.db2.gz UPJCSOYFUPIPKR-PKOBYXMFSA-N 1 3 345.531 3.354 10 0 EGAEHO C[C@@H](N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412083 1390109297 /nfs/dbraw/zinc/10/92/97/1390109297.db2.gz ASVCTEXNTRUPLQ-QAPCUYQASA-N 1 3 349.494 3.055 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)CC1CCCCCC1)C(C)C)N(C)C ZINC001332732810 1390172504 /nfs/dbraw/zinc/17/25/04/1390172504.db2.gz SKGYDXHKAFIMGH-IBGZPJMESA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)CC1CCCCCC1)C(C)C)N(C)C ZINC001332732810 1390172507 /nfs/dbraw/zinc/17/25/07/1390172507.db2.gz SKGYDXHKAFIMGH-IBGZPJMESA-N 1 3 339.568 3.466 10 0 EGAEHO CC(C)=CCN(C)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001332735877 1390174856 /nfs/dbraw/zinc/17/48/56/1390174856.db2.gz SNYZFXFTIXLUQN-UHFFFAOYSA-N 1 3 345.531 3.497 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001333307609 1390280918 /nfs/dbraw/zinc/28/09/18/1390280918.db2.gz OOHVIWKDEGFVGM-BCDXTJNWSA-N 1 3 349.469 3.352 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001698779308 1406446265 /nfs/dbraw/zinc/44/62/65/1406446265.db2.gz ZBYUNGPCHAPKOR-KRWDZBQOSA-N 1 3 341.499 3.022 10 0 EGAEHO CCCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479260357 1392200716 /nfs/dbraw/zinc/20/07/16/1392200716.db2.gz VZOSXUZCMXWNCE-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)N1CCCC1 ZINC001479384951 1392230291 /nfs/dbraw/zinc/23/02/91/1392230291.db2.gz KTKSDRVXMRTIIR-WGSAOQKQSA-N 1 3 349.563 3.316 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001479693582 1392324440 /nfs/dbraw/zinc/32/44/40/1392324440.db2.gz ZYZXLUQAPZUJFZ-RBUKOAKNSA-N 1 3 339.568 3.370 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001479695482 1392326156 /nfs/dbraw/zinc/32/61/56/1392326156.db2.gz LYBZBXHOYIHFCG-SFHVURJKSA-N 1 3 325.541 3.268 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H](C)CC(C)C)N(C)C ZINC001479738034 1392350732 /nfs/dbraw/zinc/35/07/32/1392350732.db2.gz SXTAMZUMEWILRK-FHWLQOOXSA-N 1 3 339.568 3.322 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)C[C@@H](C)CC(C)C)N(C)C ZINC001479738034 1392350736 /nfs/dbraw/zinc/35/07/36/1392350736.db2.gz SXTAMZUMEWILRK-FHWLQOOXSA-N 1 3 339.568 3.322 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)N(C)C ZINC001480261774 1392645739 /nfs/dbraw/zinc/64/57/39/1392645739.db2.gz CORIVACYZNNEAQ-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)N(C)C ZINC001480261774 1392645752 /nfs/dbraw/zinc/64/57/52/1392645752.db2.gz CORIVACYZNNEAQ-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709845 1392872330 /nfs/dbraw/zinc/87/23/30/1392872330.db2.gz GWIPMGZUKAESCQ-RTBURBONSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001480832581 1392973680 /nfs/dbraw/zinc/97/36/80/1392973680.db2.gz BWNJOUUDDHGWMU-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001480832581 1392973682 /nfs/dbraw/zinc/97/36/82/1392973682.db2.gz BWNJOUUDDHGWMU-HXUWFJFHSA-N 1 3 345.531 3.196 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001481390649 1394230938 /nfs/dbraw/zinc/23/09/38/1394230938.db2.gz MGXNMPMRNFWYAU-CADBVGFASA-N 1 3 349.563 3.361 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001481390649 1394230944 /nfs/dbraw/zinc/23/09/44/1394230944.db2.gz MGXNMPMRNFWYAU-CADBVGFASA-N 1 3 349.563 3.361 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001481433428 1394289525 /nfs/dbraw/zinc/28/95/25/1394289525.db2.gz VDARRYQOQQQLJD-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001481433428 1394289526 /nfs/dbraw/zinc/28/95/26/1394289526.db2.gz VDARRYQOQQQLJD-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001481989046 1394650124 /nfs/dbraw/zinc/65/01/24/1394650124.db2.gz WQDIJNVDTVLDFK-MJGOQNOKSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H](F)CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001482238263 1394834349 /nfs/dbraw/zinc/83/43/49/1394834349.db2.gz LWDNDUJCCCJEIN-MRXNPFEDSA-N 1 3 349.494 3.129 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001482238777 1394834658 /nfs/dbraw/zinc/83/46/58/1394834658.db2.gz WUXPRUYOGGVUQC-IRXDYDNUSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060941 1395224958 /nfs/dbraw/zinc/22/49/58/1395224958.db2.gz NDXQZXMBXSJKDX-FXAWDEMLSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001484060941 1395224962 /nfs/dbraw/zinc/22/49/62/1395224962.db2.gz NDXQZXMBXSJKDX-FXAWDEMLSA-N 1 3 335.536 3.022 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)N(CC)CC ZINC001484463435 1395396974 /nfs/dbraw/zinc/39/69/74/1395396974.db2.gz JPGJLCXIWWLKLW-AABGKKOBSA-N 1 3 349.563 3.362 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1)N(CC)CC ZINC001484463435 1395396977 /nfs/dbraw/zinc/39/69/77/1395396977.db2.gz JPGJLCXIWWLKLW-AABGKKOBSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001485194315 1395699277 /nfs/dbraw/zinc/69/92/77/1395699277.db2.gz OLWMAAXUSSFMIR-HOTGVXAUSA-N 1 3 327.557 3.273 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CCC1CCCCC1 ZINC001485336787 1395809465 /nfs/dbraw/zinc/80/94/65/1395809465.db2.gz OPGZOZJUBKPRPC-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CCC1CCCCC1 ZINC001485336787 1395809471 /nfs/dbraw/zinc/80/94/71/1395809471.db2.gz OPGZOZJUBKPRPC-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](c1cccc(F)c1)N(C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485336455 1395809671 /nfs/dbraw/zinc/80/96/71/1395809671.db2.gz KREFCUYBWVHINA-JKSUJKDBSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001485486701 1395972152 /nfs/dbraw/zinc/97/21/52/1395972152.db2.gz ZUBSETZOQYBYAW-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001485486701 1395972157 /nfs/dbraw/zinc/97/21/57/1395972157.db2.gz ZUBSETZOQYBYAW-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC001485667995 1396097041 /nfs/dbraw/zinc/09/70/41/1396097041.db2.gz BKBMCTPLWGTBCC-BGYRXZFFSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC001485667995 1396097044 /nfs/dbraw/zinc/09/70/44/1396097044.db2.gz BKBMCTPLWGTBCC-BGYRXZFFSA-N 1 3 349.563 3.077 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247121 1396188865 /nfs/dbraw/zinc/18/88/65/1396188865.db2.gz YMKLSOZWFHNOKS-PKOBYXMFSA-N 1 3 345.531 3.224 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001492092605 1396303925 /nfs/dbraw/zinc/30/39/25/1396303925.db2.gz XDWLCHVDEVCXKK-MJGOQNOKSA-N 1 3 335.536 3.234 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001494250632 1396409777 /nfs/dbraw/zinc/40/97/77/1396409777.db2.gz HXQHTUUSRXWNHN-RJCMGOLDSA-N 1 3 335.536 3.188 10 0 EGAEHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001699004006 1406821429 /nfs/dbraw/zinc/82/14/29/1406821429.db2.gz KROCMVCQLQEGNH-KDURUIRLSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001699004006 1406821436 /nfs/dbraw/zinc/82/14/36/1406821436.db2.gz KROCMVCQLQEGNH-KDURUIRLSA-N 1 3 345.531 3.066 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585868 1396770953 /nfs/dbraw/zinc/77/09/53/1396770953.db2.gz NOKSHUMYPOVXJX-INUTWKSMSA-N 1 3 349.906 3.003 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585868 1396770956 /nfs/dbraw/zinc/77/09/56/1396770956.db2.gz NOKSHUMYPOVXJX-INUTWKSMSA-N 1 3 349.906 3.003 10 0 EGAEHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001497726862 1396802392 /nfs/dbraw/zinc/80/23/92/1396802392.db2.gz JWUBLSKTCKVXKM-QWUACUGRSA-N 1 3 345.531 3.086 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1)N(C)C ZINC001689352255 1403683027 /nfs/dbraw/zinc/68/30/27/1403683027.db2.gz AFHNJRWDYFUOGF-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CCCC1)N(C)C ZINC001689352255 1403683045 /nfs/dbraw/zinc/68/30/45/1403683045.db2.gz AFHNJRWDYFUOGF-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001690030972 1404270670 /nfs/dbraw/zinc/27/06/70/1404270670.db2.gz RCAJIVDQOPAWGM-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690194699 1404401627 /nfs/dbraw/zinc/40/16/27/1404401627.db2.gz MCIUCYYZFMROEH-ZBWOGFRMSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001690194699 1404401622 /nfs/dbraw/zinc/40/16/22/1404401622.db2.gz MCIUCYYZFMROEH-ZBWOGFRMSA-N 1 3 349.563 3.245 10 0 EGAEHO CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690215152 1404423239 /nfs/dbraw/zinc/42/32/39/1404423239.db2.gz DJIFNZHIGRWWCP-WCIQWLHISA-N 1 3 349.563 3.362 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690317899 1404475369 /nfs/dbraw/zinc/47/53/69/1404475369.db2.gz MIJLJIVUDFPHMD-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690317899 1404475371 /nfs/dbraw/zinc/47/53/71/1404475371.db2.gz MIJLJIVUDFPHMD-PMACEKPBSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001690574912 1404637428 /nfs/dbraw/zinc/63/74/28/1404637428.db2.gz KMZGXZBJJPHLRF-UZLBHIALSA-N 1 3 343.515 3.031 10 0 EGAEHO CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001732000998 1428211749 /nfs/dbraw/zinc/21/17/49/1428211749.db2.gz PNTXHRCUXROIHB-DLBZAZTESA-N 1 3 339.568 3.227 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CC1CCCCC1 ZINC001691304577 1405198609 /nfs/dbraw/zinc/19/86/09/1405198609.db2.gz CKXODJZNESOQEM-APWZRJJASA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)C[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001691692453 1405426946 /nfs/dbraw/zinc/42/69/46/1405426946.db2.gz PGHRHFRDMKYPOE-MSOLQXFVSA-N 1 3 339.568 3.226 10 0 EGAEHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC2CCCC2)c2ccccc2)CCC1 ZINC001691787065 1405495902 /nfs/dbraw/zinc/49/59/02/1405495902.db2.gz JRNCILHMQUTWNG-LJQANCHMSA-N 1 3 343.515 3.108 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001691924368 1405655879 /nfs/dbraw/zinc/65/58/79/1405655879.db2.gz AHFYHMKKSGFKLM-IPMKNSEASA-N 1 3 337.552 3.170 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001692349347 1405967392 /nfs/dbraw/zinc/96/73/92/1405967392.db2.gz AKOXURONQXWSPI-IRXDYDNUSA-N 1 3 349.563 3.124 10 0 EGAEHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001698573188 1406179624 /nfs/dbraw/zinc/17/96/24/1406179624.db2.gz LAYQHYWDDZPUET-HXUWFJFHSA-N 1 3 345.531 3.068 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222834 1428471603 /nfs/dbraw/zinc/47/16/03/1428471603.db2.gz KWZXFRJRAYBYRE-RBUKOAKNSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@@H](C(=O)NC1(C[NH2+]CCC2=CCCCC2)CCCC1)N(C)C ZINC001732234886 1428481322 /nfs/dbraw/zinc/48/13/22/1428481322.db2.gz QWGGNMRLNKDHEC-SFHVURJKSA-N 1 3 335.536 3.236 10 0 EGAEHO CN(CC(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C1CC1)CC(C)(C)C ZINC001732247049 1428490557 /nfs/dbraw/zinc/49/05/57/1428490557.db2.gz IMCMOJTZBMJDOZ-FQEVSTJZSA-N 1 3 339.568 3.275 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001732497819 1428619740 /nfs/dbraw/zinc/61/97/40/1428619740.db2.gz FKUCBVPTONRJQJ-FXAWDEMLSA-N 1 3 345.531 3.379 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001699160199 1412544235 /nfs/dbraw/zinc/54/42/35/1412544235.db2.gz RBJJFZYJJPCKPZ-ROUUACIJSA-N 1 3 333.520 3.189 10 0 EGAEHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699200270 1412569549 /nfs/dbraw/zinc/56/95/49/1412569549.db2.gz CZGIYSVUIYBGGL-BBWFWOEESA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699200270 1412569553 /nfs/dbraw/zinc/56/95/53/1412569553.db2.gz CZGIYSVUIYBGGL-BBWFWOEESA-N 1 3 349.494 3.055 10 0 EGAEHO CC(C)(C)C1CCC(C[NH2+]C/C=C/CNC(=O)CN2CCCC2)CC1 ZINC001699362257 1412669094 /nfs/dbraw/zinc/66/90/94/1412669094.db2.gz KPFPYIKNPFJRMI-SNAWJCMRSA-N 1 3 349.563 3.197 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001699694673 1413102997 /nfs/dbraw/zinc/10/29/97/1413102997.db2.gz GPONDJWNIZNABO-FQEVSTJZSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001699694673 1413103001 /nfs/dbraw/zinc/10/30/01/1413103001.db2.gz GPONDJWNIZNABO-FQEVSTJZSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC001699800107 1413210773 /nfs/dbraw/zinc/21/07/73/1413210773.db2.gz QPZIGLKRIOWMME-YLJYHZDGSA-N 1 3 345.531 3.352 10 0 EGAEHO CC(C)[C@@H](C(=O)NCc1ccc([C@@H](C)NCCF)cc1)[NH+]1CCCC1 ZINC001700100525 1413517562 /nfs/dbraw/zinc/51/75/62/1413517562.db2.gz VRTGSFQWEUDONA-APWZRJJASA-N 1 3 349.494 3.043 10 0 EGAEHO CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199722 1413642982 /nfs/dbraw/zinc/64/29/82/1413642982.db2.gz ZCNGJDFIXRKWRN-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001700199722 1413642984 /nfs/dbraw/zinc/64/29/84/1413642984.db2.gz ZCNGJDFIXRKWRN-MOPGFXCFSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CCC[N@H+](C)CCC1CCCCCC1)C(=O)CN1CCCC1 ZINC001700203132 1413647509 /nfs/dbraw/zinc/64/75/09/1413647509.db2.gz HQEKATLRMMESGU-UHFFFAOYSA-N 1 3 337.552 3.223 10 0 EGAEHO CN(CCC[N@@H+](C)CCC1CCCCCC1)C(=O)CN1CCCC1 ZINC001700203132 1413647515 /nfs/dbraw/zinc/64/75/15/1413647515.db2.gz HQEKATLRMMESGU-UHFFFAOYSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557893 1428746407 /nfs/dbraw/zinc/74/64/07/1428746407.db2.gz HTSRRDXTWLWGEW-OALUTQOASA-N 1 3 335.536 3.092 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227696 1413683415 /nfs/dbraw/zinc/68/34/15/1413683415.db2.gz SNMVSAORJXFIBH-KTBYTZPXSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001700227696 1413683419 /nfs/dbraw/zinc/68/34/19/1413683419.db2.gz SNMVSAORJXFIBH-KTBYTZPXSA-N 1 3 347.547 3.142 10 0 EGAEHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001700381592 1413908652 /nfs/dbraw/zinc/90/86/52/1413908652.db2.gz HSSPDNCQIMKTEA-LMDPOFIKSA-N 1 3 345.531 3.191 10 0 EGAEHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CCCC2CCC2)CC1)N(C)C ZINC001700437609 1414006568 /nfs/dbraw/zinc/00/65/68/1414006568.db2.gz KBNRBTVAOMTZFH-CTWPCTMYSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCC1=CCCCC1 ZINC001700463764 1414066703 /nfs/dbraw/zinc/06/67/03/1414066703.db2.gz MJVLEVAXTTXDSZ-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC1=CCCCC1 ZINC001700463764 1414066706 /nfs/dbraw/zinc/06/67/06/1414066706.db2.gz MJVLEVAXTTXDSZ-HKUYNNGSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)=CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001700575187 1414249106 /nfs/dbraw/zinc/24/91/06/1414249106.db2.gz DOSQERNVJNWOEG-MOPGFXCFSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001700621343 1414291661 /nfs/dbraw/zinc/29/16/61/1414291661.db2.gz RREDVWLOYJNPLE-UEKDZROGSA-N 1 3 347.547 3.142 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001700621343 1414291665 /nfs/dbraw/zinc/29/16/65/1414291665.db2.gz RREDVWLOYJNPLE-UEKDZROGSA-N 1 3 347.547 3.142 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915278 1414568393 /nfs/dbraw/zinc/56/83/93/1414568393.db2.gz CLNHDKDXVDAEHJ-MOPGFXCFSA-N 1 3 349.563 3.266 10 0 EGAEHO C[C@@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001732895896 1429033749 /nfs/dbraw/zinc/03/37/49/1429033749.db2.gz WGXMRTJCDOKZQE-NHZBNJEXSA-N 1 3 349.906 3.005 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716385 1429935357 /nfs/dbraw/zinc/93/53/57/1429935357.db2.gz SXDJNYMMXRATLP-KRWDZBQOSA-N 1 3 337.552 3.316 10 0 EGAEHO CC/C=C\CCN1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060265 1417175838 /nfs/dbraw/zinc/17/58/38/1417175838.db2.gz XPSWLOQVTHYQTR-HCZHMGAMSA-N 1 3 343.515 3.251 10 0 EGAEHO CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001707167226 1417227637 /nfs/dbraw/zinc/22/76/37/1417227637.db2.gz SGKDNQPAEKEYHF-MSOLQXFVSA-N 1 3 339.568 3.371 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@H+](C)CCC(C)(C)C)c1 ZINC001707423766 1417330744 /nfs/dbraw/zinc/33/07/44/1417330744.db2.gz REIBLTYXXBPNQZ-UHFFFAOYSA-N 1 3 333.520 3.236 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NCCC[N@@H+](C)CCC(C)(C)C)c1 ZINC001707423766 1417330748 /nfs/dbraw/zinc/33/07/48/1417330748.db2.gz REIBLTYXXBPNQZ-UHFFFAOYSA-N 1 3 333.520 3.236 10 0 EGAEHO CCCN(C)CC(=O)NC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001713291266 1417918654 /nfs/dbraw/zinc/91/86/54/1417918654.db2.gz FYTSSSPUKIWGMT-QLOJAFMTSA-N 1 3 343.515 3.033 10 0 EGAEHO CCCN(C)CC(=O)NC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001713291265 1417918909 /nfs/dbraw/zinc/91/89/09/1417918909.db2.gz FYTSSSPUKIWGMT-AFMYVXGZSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCC1 ZINC001733724465 1429949076 /nfs/dbraw/zinc/94/90/76/1429949076.db2.gz INQXYHACHUCHMV-GOSISDBHSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381385 1417991915 /nfs/dbraw/zinc/99/19/15/1417991915.db2.gz IXKFHOOJSXCRQC-RBUKOAKNSA-N 1 3 349.494 3.013 10 0 EGAEHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001713400677 1418022720 /nfs/dbraw/zinc/02/27/20/1418022720.db2.gz JNYDGWAZOUNYBW-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001713400677 1418022726 /nfs/dbraw/zinc/02/27/26/1418022726.db2.gz JNYDGWAZOUNYBW-FQEVSTJZSA-N 1 3 345.531 3.066 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001713400727 1418022826 /nfs/dbraw/zinc/02/28/26/1418022826.db2.gz KAIXQVCPQSZRJI-QFBILLFUSA-N 1 3 349.494 3.150 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001713400727 1418022831 /nfs/dbraw/zinc/02/28/31/1418022831.db2.gz KAIXQVCPQSZRJI-QFBILLFUSA-N 1 3 349.494 3.150 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)C1 ZINC001713438696 1418071368 /nfs/dbraw/zinc/07/13/68/1418071368.db2.gz IKLKKIZYWKLFTQ-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CCC(C)(C)C)C1 ZINC001713438696 1418071373 /nfs/dbraw/zinc/07/13/73/1418071373.db2.gz IKLKKIZYWKLFTQ-ZWKOTPCHSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCCC(C)(C)C ZINC001733144933 1429261874 /nfs/dbraw/zinc/26/18/74/1429261874.db2.gz LABVTHWHVMJKNR-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742497 1418544516 /nfs/dbraw/zinc/54/45/16/1418544516.db2.gz YZHUJUMBPQCWHY-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CCNC(=O)CN(C)C(C)C)C2)c1 ZINC001713742497 1418544521 /nfs/dbraw/zinc/54/45/21/1418544521.db2.gz YZHUJUMBPQCWHY-RBUKOAKNSA-N 1 3 345.531 3.224 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794422 1418613336 /nfs/dbraw/zinc/61/33/36/1418613336.db2.gz SLJMFKKYDFLPCV-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001713794422 1418613337 /nfs/dbraw/zinc/61/33/37/1418613337.db2.gz SLJMFKKYDFLPCV-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713948559 1418733535 /nfs/dbraw/zinc/73/35/35/1418733535.db2.gz QMPUARXHQFHVLE-GUDVDZBRSA-N 1 3 335.536 3.066 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714019083 1418800266 /nfs/dbraw/zinc/80/02/66/1418800266.db2.gz QMUUKZUUNPAALG-YSKLNCTFSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714019083 1418800274 /nfs/dbraw/zinc/80/02/74/1418800274.db2.gz QMUUKZUUNPAALG-YSKLNCTFSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714044429 1418836250 /nfs/dbraw/zinc/83/62/50/1418836250.db2.gz QCOOGTARAQYKNE-MOPGFXCFSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714044429 1418836252 /nfs/dbraw/zinc/83/62/52/1418836252.db2.gz QCOOGTARAQYKNE-MOPGFXCFSA-N 1 3 335.536 3.045 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400743 1419144174 /nfs/dbraw/zinc/14/41/74/1419144174.db2.gz DORUUYXXRDMJAP-ROUUACIJSA-N 1 3 347.547 3.068 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001714976357 1419710596 /nfs/dbraw/zinc/71/05/96/1419710596.db2.gz MKJSAJFYTHCENO-WOJBJXKFSA-N 1 3 349.563 3.316 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001715075615 1419810602 /nfs/dbraw/zinc/81/06/02/1419810602.db2.gz OYJJETSMFHOABH-IAGOWNOFSA-N 1 3 325.541 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@H](C)c1cccc(F)c1)C1CC1 ZINC001715129581 1419878575 /nfs/dbraw/zinc/87/85/75/1419878575.db2.gz ZPKIYEUKDKGRFQ-QRWLVFNGSA-N 1 3 349.494 3.101 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001715417211 1420111003 /nfs/dbraw/zinc/11/10/03/1420111003.db2.gz MJUUGIRCGSMPMQ-IEBWSBKVSA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001715417213 1420111182 /nfs/dbraw/zinc/11/11/82/1420111182.db2.gz MJUUGIRCGSMPMQ-PKOBYXMFSA-N 1 3 349.563 3.291 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001715423944 1420115322 /nfs/dbraw/zinc/11/53/22/1420115322.db2.gz FQTSVAYZGQKPCQ-OALUTQOASA-N 1 3 347.547 3.022 10 0 EGAEHO CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001715464168 1420143407 /nfs/dbraw/zinc/14/34/07/1420143407.db2.gz VIYKSGRVVXKEPL-YLJYHZDGSA-N 1 3 345.531 3.379 10 0 EGAEHO CCCCC[N@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001715497933 1420179527 /nfs/dbraw/zinc/17/95/27/1420179527.db2.gz HXCBPWLJXWRKHP-GOSISDBHSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCC[N@@H+](C)CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001715497933 1420179528 /nfs/dbraw/zinc/17/95/28/1420179528.db2.gz HXCBPWLJXWRKHP-GOSISDBHSA-N 1 3 337.552 3.079 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001715655289 1420280603 /nfs/dbraw/zinc/28/06/03/1420280603.db2.gz MCESPXGHSQJUHU-KRWDZBQOSA-N 1 3 345.531 3.279 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001715859688 1420370607 /nfs/dbraw/zinc/37/06/07/1420370607.db2.gz QYFLPWWBGPPUCJ-HXUWFJFHSA-N 1 3 345.531 3.068 10 0 EGAEHO Cc1ccc(CN(C)CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001715859688 1420370611 /nfs/dbraw/zinc/37/06/11/1420370611.db2.gz QYFLPWWBGPPUCJ-HXUWFJFHSA-N 1 3 345.531 3.068 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026423 1420483450 /nfs/dbraw/zinc/48/34/50/1420483450.db2.gz FHJSIEUGFROHRM-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001716026423 1420483451 /nfs/dbraw/zinc/48/34/51/1420483451.db2.gz FHJSIEUGFROHRM-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138533 1420538948 /nfs/dbraw/zinc/53/89/48/1420538948.db2.gz HGTLQLLDNPNQBF-PKOBYXMFSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001716145682 1420541203 /nfs/dbraw/zinc/54/12/03/1420541203.db2.gz KIUFPPKFSZTLTC-INIZCTEOSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001716709238 1420862800 /nfs/dbraw/zinc/86/28/00/1420862800.db2.gz MTUOHUUCLXDDRI-AYHJJNSGSA-N 1 3 335.536 3.020 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001716830474 1420957483 /nfs/dbraw/zinc/95/74/83/1420957483.db2.gz QDMIPXBFWCNWDY-HXUWFJFHSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001716830474 1420957485 /nfs/dbraw/zinc/95/74/85/1420957485.db2.gz QDMIPXBFWCNWDY-HXUWFJFHSA-N 1 3 349.563 3.366 10 0 EGAEHO CCC1([NH2+]CCC(C)C)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001717239957 1421208502 /nfs/dbraw/zinc/20/85/02/1421208502.db2.gz FKYYUFHOFMFFOA-UHFFFAOYSA-N 1 3 339.568 3.371 10 0 EGAEHO CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717301421 1421243619 /nfs/dbraw/zinc/24/36/19/1421243619.db2.gz PJVYBORISGSTTJ-IPLHWJFFSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001733289237 1429466460 /nfs/dbraw/zinc/46/64/60/1429466460.db2.gz OWQVKEZZPPEJQG-HXUWFJFHSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC)C2 ZINC001733289237 1429466463 /nfs/dbraw/zinc/46/64/63/1429466463.db2.gz OWQVKEZZPPEJQG-HXUWFJFHSA-N 1 3 337.552 3.223 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC001717338816 1421276393 /nfs/dbraw/zinc/27/63/93/1421276393.db2.gz ATUAFCCBHHUUSP-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC001717338816 1421276394 /nfs/dbraw/zinc/27/63/94/1421276394.db2.gz ATUAFCCBHHUUSP-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001717457014 1421386536 /nfs/dbraw/zinc/38/65/36/1421386536.db2.gz SUMTWVZIJRVUOP-UHFFFAOYSA-N 1 3 325.541 3.005 10 0 EGAEHO CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001717452411 1421382082 /nfs/dbraw/zinc/38/20/82/1421382082.db2.gz CMWZKKYORHXNTF-INIZCTEOSA-N 1 3 343.531 3.073 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@H+](CC3CCCCCC3)CC2)CCC1 ZINC001718021872 1421776956 /nfs/dbraw/zinc/77/69/56/1421776956.db2.gz ABOXJJFOWFMHHM-UHFFFAOYSA-N 1 3 347.547 3.189 10 0 EGAEHO CN(C)C1(C(=O)NCC2=CC[N@@H+](CC3CCCCCC3)CC2)CCC1 ZINC001718021872 1421776958 /nfs/dbraw/zinc/77/69/58/1421776958.db2.gz ABOXJJFOWFMHHM-UHFFFAOYSA-N 1 3 347.547 3.189 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001718021630 1421777197 /nfs/dbraw/zinc/77/71/97/1421777197.db2.gz QDGJGCVKICDRMX-QUCCMNQESA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001718021630 1421777199 /nfs/dbraw/zinc/77/71/99/1421777199.db2.gz QDGJGCVKICDRMX-QUCCMNQESA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001718021628 1421777333 /nfs/dbraw/zinc/77/73/33/1421777333.db2.gz QDGJGCVKICDRMX-AZUAARDMSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001718021628 1421777335 /nfs/dbraw/zinc/77/73/35/1421777335.db2.gz QDGJGCVKICDRMX-AZUAARDMSA-N 1 3 349.563 3.290 10 0 EGAEHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384162 1429570789 /nfs/dbraw/zinc/57/07/89/1429570789.db2.gz RXSOEQDENUQHPW-BEFAXECRSA-N 1 3 349.494 3.103 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CCCC1 ZINC001733386046 1429573219 /nfs/dbraw/zinc/57/32/19/1429573219.db2.gz AOCKXYHYXALZGT-LJQANCHMSA-N 1 3 349.563 3.172 10 0 EGAEHO Cc1cc(CN2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406031 1429603124 /nfs/dbraw/zinc/60/31/24/1429603124.db2.gz LCDSXFJZVMHQCR-IEBWSBKVSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC001733406031 1429603125 /nfs/dbraw/zinc/60/31/25/1429603125.db2.gz LCDSXFJZVMHQCR-IEBWSBKVSA-N 1 3 349.544 3.012 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@H](CC)C1 ZINC001723388168 1424382612 /nfs/dbraw/zinc/38/26/12/1424382612.db2.gz ZHIRDKJGNAMXJJ-RTBURBONSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723692407 1424533234 /nfs/dbraw/zinc/53/32/34/1424533234.db2.gz ZPKWOMGWJZCNCI-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001723692407 1424533238 /nfs/dbraw/zinc/53/32/38/1424533238.db2.gz ZPKWOMGWJZCNCI-HXUWFJFHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)=CCN1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724165516 1424701884 /nfs/dbraw/zinc/70/18/84/1424701884.db2.gz OQPRXMJFRAEWNM-LJQANCHMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173011 1424707175 /nfs/dbraw/zinc/70/71/75/1424707175.db2.gz GVIAJEZUXXSEKU-TZIWHRDSSA-N 1 3 345.531 3.196 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001724295521 1424781882 /nfs/dbraw/zinc/78/18/82/1424781882.db2.gz YLVRUQJAUPIJQZ-SREVYHEPSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001724340768 1424834322 /nfs/dbraw/zinc/83/43/22/1424834322.db2.gz NUSNLMRUOIPZKO-AZUAARDMSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001724340768 1424834329 /nfs/dbraw/zinc/83/43/29/1424834329.db2.gz NUSNLMRUOIPZKO-AZUAARDMSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001724842737 1425192262 /nfs/dbraw/zinc/19/22/62/1425192262.db2.gz IYWZBKDPAINPOV-CTWPCTMYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001724842737 1425192266 /nfs/dbraw/zinc/19/22/66/1425192266.db2.gz IYWZBKDPAINPOV-CTWPCTMYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001724849729 1425210699 /nfs/dbraw/zinc/21/06/99/1425210699.db2.gz XXDAARSWOLDPIE-GOSISDBHSA-N 1 3 339.568 3.371 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001724849729 1425210705 /nfs/dbraw/zinc/21/07/05/1425210705.db2.gz XXDAARSWOLDPIE-GOSISDBHSA-N 1 3 339.568 3.371 10 0 EGAEHO CC[C@@H]([NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001725076557 1425515880 /nfs/dbraw/zinc/51/58/80/1425515880.db2.gz RJFBGPFLZFRQOX-XUJQIHCRSA-N 1 3 349.494 3.101 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001725097057 1425541315 /nfs/dbraw/zinc/54/13/15/1425541315.db2.gz UDRVRKDGVOHKQP-ZWKOTPCHSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295520 1427237698 /nfs/dbraw/zinc/23/76/98/1427237698.db2.gz DWUGIKLDOPBUQW-SJLPKXTDSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731353332 1427292683 /nfs/dbraw/zinc/29/26/83/1427292683.db2.gz LUNYBXZWZZTHDV-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731353332 1427292686 /nfs/dbraw/zinc/29/26/86/1427292686.db2.gz LUNYBXZWZZTHDV-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001731548860 1427565939 /nfs/dbraw/zinc/56/59/39/1427565939.db2.gz JYJZXOLXVUZMHQ-MOPGFXCFSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC001731761756 1427866214 /nfs/dbraw/zinc/86/62/14/1427866214.db2.gz YALKQKPTCRDGOA-IBGZPJMESA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC001731761756 1427866219 /nfs/dbraw/zinc/86/62/19/1427866219.db2.gz YALKQKPTCRDGOA-IBGZPJMESA-N 1 3 349.494 3.027 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001733596948 1429795965 /nfs/dbraw/zinc/79/59/65/1429795965.db2.gz DJRZSSYODSHWTC-AQNXPRMDSA-N 1 3 349.563 3.361 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001733596948 1429795970 /nfs/dbraw/zinc/79/59/70/1429795970.db2.gz DJRZSSYODSHWTC-AQNXPRMDSA-N 1 3 349.563 3.361 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001733688651 1429904894 /nfs/dbraw/zinc/90/48/94/1429904894.db2.gz PCEMUUDIKMNFCA-IYARVYRRSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001733783056 1430051188 /nfs/dbraw/zinc/05/11/88/1430051188.db2.gz VQOFPEMPROHPAA-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001733783056 1430051193 /nfs/dbraw/zinc/05/11/93/1430051193.db2.gz VQOFPEMPROHPAA-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CN(CC(C)(C)C[NH2+]CC1CC2(CCC2)C1)C(=O)CN(C)C1CCC1 ZINC001734020658 1437809737 /nfs/dbraw/zinc/80/97/37/1437809737.db2.gz QOOATUGPXYEFDO-UHFFFAOYSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734025111 1437813056 /nfs/dbraw/zinc/81/30/56/1437813056.db2.gz JHXAZHLEGRMZDZ-ROUUACIJSA-N 1 3 345.531 3.134 10 0 EGAEHO CC(C)C[C@H](C)C[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148758 1437916524 /nfs/dbraw/zinc/91/65/24/1437916524.db2.gz VFMPBNMJUONAEZ-ROUUACIJSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)C[C@H](C)C[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001734148758 1437916525 /nfs/dbraw/zinc/91/65/25/1437916525.db2.gz VFMPBNMJUONAEZ-ROUUACIJSA-N 1 3 349.563 3.124 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308211 1438040147 /nfs/dbraw/zinc/04/01/47/1438040147.db2.gz HKQHAFMRIQLBGZ-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001734577728 1438170590 /nfs/dbraw/zinc/17/05/90/1438170590.db2.gz MXZAKGKDKYZOOR-JKSUJKDBSA-N 1 3 348.535 3.160 10 0 EGAEHO CC[N@H+](CC[C@H](N)c1cccc(Br)c1)[C@@H](C)COC ZINC000053940688 214206857 /nfs/dbraw/zinc/20/68/57/214206857.db2.gz ZLADBMZLYXTQFV-WFASDCNBSA-N 1 3 329.282 3.196 10 0 EGAEHO CC[N@@H+](CC[C@H](N)c1cccc(Br)c1)[C@@H](C)COC ZINC000053940688 214206859 /nfs/dbraw/zinc/20/68/59/214206859.db2.gz ZLADBMZLYXTQFV-WFASDCNBSA-N 1 3 329.282 3.196 10 0 EGAEHO CCN(CC[C@H]([NH3+])c1cccc(Br)c1)[C@@H](C)COC ZINC000053940688 214206862 /nfs/dbraw/zinc/20/68/62/214206862.db2.gz ZLADBMZLYXTQFV-WFASDCNBSA-N 1 3 329.282 3.196 10 0 EGAEHO COc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1NC(C)=O ZINC000178256558 232118734 /nfs/dbraw/zinc/11/87/34/232118734.db2.gz LESILUVTEFBCIB-CQSZACIVSA-N 1 3 345.487 3.179 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000353464395 141303032 /nfs/dbraw/zinc/30/30/32/141303032.db2.gz UNOBVKGHIPPCCX-GBESFXJTSA-N 1 3 329.488 3.365 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000341557338 155351980 /nfs/dbraw/zinc/35/19/80/155351980.db2.gz DFDZJNHFYSOAFG-QZTJIDSGSA-N 1 3 349.544 3.002 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000341557338 155351985 /nfs/dbraw/zinc/35/19/85/155351985.db2.gz DFDZJNHFYSOAFG-QZTJIDSGSA-N 1 3 349.544 3.002 10 0 EGAEHO Cn1c2ccc(CN3CCC(CCC[NH+](C)C)CC3)cc2sc1=O ZINC000195033116 153372753 /nfs/dbraw/zinc/37/27/53/153372753.db2.gz VQFNESLBAFQCNU-UHFFFAOYSA-N 1 3 347.528 3.154 10 0 EGAEHO O[C@H](CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000311193316 154146378 /nfs/dbraw/zinc/14/63/78/154146378.db2.gz FHMWNJMNZPDFSR-FDFHNCONSA-N 1 3 336.479 3.174 10 0 EGAEHO O[C@H](CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000311193316 154146382 /nfs/dbraw/zinc/14/63/82/154146382.db2.gz FHMWNJMNZPDFSR-FDFHNCONSA-N 1 3 336.479 3.174 10 0 EGAEHO CCC[NH+]1CCC(CN[C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405273 162008473 /nfs/dbraw/zinc/00/84/73/162008473.db2.gz PZSKHUCEMIXPMD-OAHLLOKOSA-N 1 3 329.492 3.119 10 0 EGAEHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000131184814 162394439 /nfs/dbraw/zinc/39/44/39/162394439.db2.gz NNHFBWOBHRQVTP-HXUWFJFHSA-N 1 3 347.572 3.070 10 0 EGAEHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CCOCC1 ZINC000248415560 163003341 /nfs/dbraw/zinc/00/33/41/163003341.db2.gz OEZASGMLTOSAMM-LLUDDFSJSA-N 1 3 328.500 3.302 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000354810333 166037567 /nfs/dbraw/zinc/03/75/67/166037567.db2.gz UZAONABMSWBCPE-UHFFFAOYSA-N 1 3 345.531 3.220 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H]2CCC[C@@H]21 ZINC000367624088 168251825 /nfs/dbraw/zinc/25/18/25/168251825.db2.gz WCJZKDWJFZBOIV-AABGKKOBSA-N 1 3 342.462 3.016 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H]2CCC[C@@H]21 ZINC000367624088 168251827 /nfs/dbraw/zinc/25/18/27/168251827.db2.gz WCJZKDWJFZBOIV-AABGKKOBSA-N 1 3 342.462 3.016 10 0 EGAEHO C[C@H]1CC[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000361340327 278384325 /nfs/dbraw/zinc/38/43/25/278384325.db2.gz COLHUJRVMZPTCW-JXFKEZNVSA-N 1 3 343.515 3.157 10 0 EGAEHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[C@H](C)O1 ZINC000353249511 288160155 /nfs/dbraw/zinc/16/01/55/288160155.db2.gz MSUGNZHWPPGMRH-USYVTKNRSA-N 1 3 338.536 3.061 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414822598 309103747 /nfs/dbraw/zinc/10/37/47/309103747.db2.gz NDZLKSWBGYSJHF-MBNYWOFBSA-N 1 3 343.284 3.497 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414822598 309103748 /nfs/dbraw/zinc/10/37/48/309103748.db2.gz NDZLKSWBGYSJHF-MBNYWOFBSA-N 1 3 343.284 3.497 10 0 EGAEHO CCc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c2ccccc2n1 ZINC000301798941 308715708 /nfs/dbraw/zinc/71/57/08/308715708.db2.gz RFODXSXIXAWPEH-MRXNPFEDSA-N 1 3 341.499 3.326 10 0 EGAEHO Cc1cccc(-c2n[nH]cc2CNCCC[NH2+]Cc2cccnc2)c1 ZINC000414887810 309107510 /nfs/dbraw/zinc/10/75/10/309107510.db2.gz XBKKCWFJYYSBQU-UHFFFAOYSA-N 1 3 335.455 3.050 10 0 EGAEHO CC(C)C[C@H]([NH3+])CN[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076567 309118476 /nfs/dbraw/zinc/11/84/76/309118476.db2.gz CVZGVYCJRIRETL-AAEUAGOBSA-N 1 3 331.273 3.482 10 0 EGAEHO Fc1ccc(OCCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000415078659 309118673 /nfs/dbraw/zinc/11/86/73/309118673.db2.gz GRJBRSOUSROMHF-FUHWJXTLSA-N 1 3 332.394 3.427 10 0 EGAEHO CC(C)C[C@@H](N)C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415080665 309118784 /nfs/dbraw/zinc/11/87/84/309118784.db2.gz JPXOYOGCRZWORM-LLVKDONJSA-N 1 3 339.789 3.096 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000415945625 309150570 /nfs/dbraw/zinc/15/05/70/309150570.db2.gz RTEPLGRJEPYLTC-UHFFFAOYSA-N 1 3 340.471 3.179 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1F ZINC000422743376 309366201 /nfs/dbraw/zinc/36/62/01/309366201.db2.gz IKKJEUYDWPQCTN-DFQSSKMNSA-N 1 3 333.495 3.288 10 0 EGAEHO COc1cccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422752640 309366733 /nfs/dbraw/zinc/36/67/33/309366733.db2.gz CUHJSRNICNRPIR-LLUDDFSJSA-N 1 3 343.515 3.174 10 0 EGAEHO CC[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1ccccc1F ZINC000422814897 309369937 /nfs/dbraw/zinc/36/99/37/309369937.db2.gz ALNVIBXXFSTHSU-BBRMVZONSA-N 1 3 331.435 3.496 10 0 EGAEHO c1cn(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836700 309371081 /nfs/dbraw/zinc/37/10/81/309371081.db2.gz RSYZAJLANUIASG-PCCBWWKXSA-N 1 3 338.499 3.332 10 0 EGAEHO COc1ccc(C[C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422927024 309376583 /nfs/dbraw/zinc/37/65/83/309376583.db2.gz XXVFNTPVJYTHQX-VHSSKADRSA-N 1 3 326.440 3.369 10 0 EGAEHO Cc1c([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257004 309392614 /nfs/dbraw/zinc/39/26/14/309392614.db2.gz HAKVZLFVUWGHDY-HIFRSBDPSA-N 1 3 347.894 3.269 10 0 EGAEHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438985012 309823914 /nfs/dbraw/zinc/82/39/14/309823914.db2.gz MEHIEUQCMDCIKW-OAHLLOKOSA-N 1 3 347.503 3.426 10 0 EGAEHO C[NH+](C)CCCC1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000448329703 310002083 /nfs/dbraw/zinc/00/20/83/310002083.db2.gz AKSOYWJCPJJGQC-UHFFFAOYSA-N 1 3 326.488 3.426 10 0 EGAEHO C[C@@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N(C)C1CC1 ZINC000449133107 310039437 /nfs/dbraw/zinc/03/94/37/310039437.db2.gz CMJKLTFRACNMRZ-ROUUACIJSA-N 1 3 329.532 3.154 10 0 EGAEHO CSC[C@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449166203 310041715 /nfs/dbraw/zinc/04/17/15/310041715.db2.gz ZFPMQOQMDUQVQM-GOSISDBHSA-N 1 3 330.582 3.369 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(COC)C2)CC1 ZINC000449398824 310058770 /nfs/dbraw/zinc/05/87/70/310058770.db2.gz ZAORZOBQLKOOOH-NRFANRHFSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@](C)(COC)C2)CC1 ZINC000449398824 310058771 /nfs/dbraw/zinc/05/87/71/310058771.db2.gz ZAORZOBQLKOOOH-NRFANRHFSA-N 1 3 345.531 3.077 10 0 EGAEHO CC[C@H](CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684012 312215124 /nfs/dbraw/zinc/21/51/24/312215124.db2.gz OCTFYCHMMPCMQN-CTNGQTDRSA-N 1 3 329.532 3.282 10 0 EGAEHO CC[C@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000513684012 312215126 /nfs/dbraw/zinc/21/51/26/312215126.db2.gz OCTFYCHMMPCMQN-CTNGQTDRSA-N 1 3 329.532 3.282 10 0 EGAEHO CC[C@@H](CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684014 312215145 /nfs/dbraw/zinc/21/51/45/312215145.db2.gz OCTFYCHMMPCMQN-PZJWPPBQSA-N 1 3 329.532 3.282 10 0 EGAEHO CC[C@@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000513684014 312215148 /nfs/dbraw/zinc/21/51/48/312215148.db2.gz OCTFYCHMMPCMQN-PZJWPPBQSA-N 1 3 329.532 3.282 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@H]21 ZINC000513697639 312215608 /nfs/dbraw/zinc/21/56/08/312215608.db2.gz PZQYZLOUYJPLPB-GBESFXJTSA-N 1 3 343.446 3.486 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@H]21 ZINC000513697639 312215609 /nfs/dbraw/zinc/21/56/09/312215609.db2.gz PZQYZLOUYJPLPB-GBESFXJTSA-N 1 3 343.446 3.486 10 0 EGAEHO CN(C)CCN1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000555092765 315366074 /nfs/dbraw/zinc/36/60/74/315366074.db2.gz TTXPRHCKAYFQHO-UHFFFAOYSA-N 1 3 331.548 3.142 10 0 EGAEHO Cc1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)cc(C)c1O ZINC000561948521 315790285 /nfs/dbraw/zinc/79/02/85/315790285.db2.gz FHLLVEBHABNLFV-UHFFFAOYSA-N 1 3 342.483 3.282 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000563931189 316091943 /nfs/dbraw/zinc/09/19/43/316091943.db2.gz NETHZYOGISFLOJ-LJQANCHMSA-N 1 3 345.531 3.278 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000563931189 316091945 /nfs/dbraw/zinc/09/19/45/316091945.db2.gz NETHZYOGISFLOJ-LJQANCHMSA-N 1 3 345.531 3.278 10 0 EGAEHO CC[NH+]1CCC(CN[C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000571018877 317139706 /nfs/dbraw/zinc/13/97/06/317139706.db2.gz XXWLBDBNEQTMIS-MRXNPFEDSA-N 1 3 326.488 3.470 10 0 EGAEHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1cccc(Cl)c1 ZINC000579583086 325130350 /nfs/dbraw/zinc/13/03/50/325130350.db2.gz CDYUPJHBGBPRMI-UHFFFAOYSA-N 1 3 335.879 3.275 10 0 EGAEHO CSC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000133124743 533714764 /nfs/dbraw/zinc/71/47/64/533714764.db2.gz NDNIHWXKSNDCSB-QFBILLFUSA-N 1 3 334.529 3.181 10 0 EGAEHO O=C(CCC1CC[NH2+]CC1)NCc1ccccc1CN1CCCCC1 ZINC000237959265 455238476 /nfs/dbraw/zinc/23/84/76/455238476.db2.gz XLUGQGIATURYSM-UHFFFAOYSA-N 1 3 343.515 3.069 10 0 EGAEHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475603 460570024 /nfs/dbraw/zinc/57/00/24/460570024.db2.gz UDVXCUWPGVOEHH-ZBFHGGJFSA-N 1 3 328.460 3.303 10 0 EGAEHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475603 460570030 /nfs/dbraw/zinc/57/00/30/460570030.db2.gz UDVXCUWPGVOEHH-ZBFHGGJFSA-N 1 3 328.460 3.303 10 0 EGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000245679780 455354631 /nfs/dbraw/zinc/35/46/31/455354631.db2.gz IQBNEOWUVRWBKG-QOXYCXOJSA-N 1 3 339.527 3.397 10 0 EGAEHO Cc1n[nH]c(C)c1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000097113864 454411820 /nfs/dbraw/zinc/41/18/20/454411820.db2.gz XRQVRODQKDDCNW-UHFFFAOYSA-N 1 3 327.476 3.160 10 0 EGAEHO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000103200710 454542462 /nfs/dbraw/zinc/54/24/62/454542462.db2.gz JHLJTXCGTSDYAE-ZGXWSNOMSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000154957630 454947618 /nfs/dbraw/zinc/94/76/18/454947618.db2.gz FYEZZPRWKMDJMN-FVQBIDKESA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000154957630 454947620 /nfs/dbraw/zinc/94/76/20/454947620.db2.gz FYEZZPRWKMDJMN-FVQBIDKESA-N 1 3 344.421 3.023 10 0 EGAEHO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180163821 455142735 /nfs/dbraw/zinc/14/27/35/455142735.db2.gz RQYOZIFOZRVYHX-CEDBRAGKSA-N 1 3 338.499 3.290 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000245432599 455298126 /nfs/dbraw/zinc/29/81/26/455298126.db2.gz OSCZJEJDNYFADX-FUHWJXTLSA-N 1 3 342.487 3.331 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000245432599 455298130 /nfs/dbraw/zinc/29/81/30/455298130.db2.gz OSCZJEJDNYFADX-FUHWJXTLSA-N 1 3 342.487 3.331 10 0 EGAEHO CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245639564 455345668 /nfs/dbraw/zinc/34/56/68/455345668.db2.gz ALJBVAXOOVHTPK-BURNTYAHSA-N 1 3 327.516 3.256 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@](C)(O)c1ccsc1 ZINC000268973578 455750118 /nfs/dbraw/zinc/75/01/18/455750118.db2.gz IQFDSKBTIGZFPO-LSTHTHJFSA-N 1 3 344.524 3.456 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@](C)(O)c1ccsc1 ZINC000268973578 455750123 /nfs/dbraw/zinc/75/01/23/455750123.db2.gz IQFDSKBTIGZFPO-LSTHTHJFSA-N 1 3 344.524 3.456 10 0 EGAEHO CN1CCC(O)(C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000270023894 455859895 /nfs/dbraw/zinc/85/98/95/455859895.db2.gz OUVICAGGHVFBHB-SFHVURJKSA-N 1 3 344.499 3.259 10 0 EGAEHO CC[N@@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@H](C)C1 ZINC000188000882 455978737 /nfs/dbraw/zinc/97/87/37/455978737.db2.gz KCPVECSVZGCZLY-BEFAXECRSA-N 1 3 335.923 3.018 10 0 EGAEHO CC[N@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@H](C)C1 ZINC000188000882 455978741 /nfs/dbraw/zinc/97/87/41/455978741.db2.gz KCPVECSVZGCZLY-BEFAXECRSA-N 1 3 335.923 3.018 10 0 EGAEHO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000348842535 456881154 /nfs/dbraw/zinc/88/11/54/456881154.db2.gz UUKPBSGWYUNQPT-QGZVFWFLSA-N 1 3 331.504 3.133 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000350692486 457198124 /nfs/dbraw/zinc/19/81/24/457198124.db2.gz MBJBHNHSDCXDPR-WOJBJXKFSA-N 1 3 343.515 3.204 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000350692486 457198129 /nfs/dbraw/zinc/19/81/29/457198129.db2.gz MBJBHNHSDCXDPR-WOJBJXKFSA-N 1 3 343.515 3.204 10 0 EGAEHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373891654 457388024 /nfs/dbraw/zinc/38/80/24/457388024.db2.gz JMQSEONFFBLNCE-HXUWFJFHSA-N 1 3 347.547 3.118 10 0 EGAEHO CC[NH+]1CCC(NC(=O)CN[C@H](CC(C)C)c2cccs2)CC1 ZINC000411511209 457905714 /nfs/dbraw/zinc/90/57/14/457905714.db2.gz IFIGPRGWGMZAPH-MRXNPFEDSA-N 1 3 337.533 3.025 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427616760 458008185 /nfs/dbraw/zinc/00/81/85/458008185.db2.gz ZMTQVNWWEDRLAT-WFASDCNBSA-N 1 3 327.394 3.409 10 0 EGAEHO CN(C)CCN(Cc1ccccc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358605290 458104442 /nfs/dbraw/zinc/10/44/42/458104442.db2.gz UQKIHJYRTOIQML-UHFFFAOYSA-N 1 3 345.531 3.089 10 0 EGAEHO CN1CCC(C[NH2+]CCc2cccc(Cl)c2)(N2CCCCC2)CC1 ZINC000459421642 458366244 /nfs/dbraw/zinc/36/62/44/458366244.db2.gz MRRNVVGQNNXRCY-UHFFFAOYSA-N 1 3 349.950 3.422 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000459753913 458468537 /nfs/dbraw/zinc/46/85/37/458468537.db2.gz DIVQBVNRKOJMHF-GOSISDBHSA-N 1 3 335.511 3.105 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000459753913 458468538 /nfs/dbraw/zinc/46/85/38/458468538.db2.gz DIVQBVNRKOJMHF-GOSISDBHSA-N 1 3 335.511 3.105 10 0 EGAEHO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000423716732 458475973 /nfs/dbraw/zinc/47/59/73/458475973.db2.gz YAVXJNQKVILFOV-OXQOHEQNSA-N 1 3 337.467 3.053 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000470774231 458649518 /nfs/dbraw/zinc/64/95/18/458649518.db2.gz RPGQSYFIIOSIHE-HSQYWUDLSA-N 1 3 340.511 3.405 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000470774231 458649523 /nfs/dbraw/zinc/64/95/23/458649523.db2.gz RPGQSYFIIOSIHE-HSQYWUDLSA-N 1 3 340.511 3.405 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)CCCc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000471235013 458686976 /nfs/dbraw/zinc/68/69/76/458686976.db2.gz KXHATTPSJKTVMA-GJZGRUSLSA-N 1 3 348.516 3.393 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)CCCc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000471235013 458686980 /nfs/dbraw/zinc/68/69/80/458686980.db2.gz KXHATTPSJKTVMA-GJZGRUSLSA-N 1 3 348.516 3.393 10 0 EGAEHO COC[C@H]([NH2+]Cc1ccccc1CN1CCCCC1)C1CCOCC1 ZINC000526107111 459548955 /nfs/dbraw/zinc/54/89/55/459548955.db2.gz YNTIVJOYAQTBHV-NRFANRHFSA-N 1 3 346.515 3.204 10 0 EGAEHO COC[C@H](NCc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000526107111 459548960 /nfs/dbraw/zinc/54/89/60/459548960.db2.gz YNTIVJOYAQTBHV-NRFANRHFSA-N 1 3 346.515 3.204 10 0 EGAEHO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000592530508 459627314 /nfs/dbraw/zinc/62/73/14/459627314.db2.gz YTVJSNBTSGLQGW-WBVHZDCISA-N 1 3 345.487 3.150 10 0 EGAEHO COC(=O)C(C)(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000527518653 459652857 /nfs/dbraw/zinc/65/28/57/459652857.db2.gz FUNRRHXITXYKPD-YQQQUEKLSA-N 1 3 344.499 3.361 10 0 EGAEHO COC(=O)C(C)(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000527518653 459652862 /nfs/dbraw/zinc/65/28/62/459652862.db2.gz FUNRRHXITXYKPD-YQQQUEKLSA-N 1 3 344.499 3.361 10 0 EGAEHO C[N@@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623404593 460530118 /nfs/dbraw/zinc/53/01/18/460530118.db2.gz CETWDWINXQWITR-MRXNPFEDSA-N 1 3 331.435 3.486 10 0 EGAEHO C[N@H+]1CC[C@@H](NCCc2coc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623404593 460530120 /nfs/dbraw/zinc/53/01/20/460530120.db2.gz CETWDWINXQWITR-MRXNPFEDSA-N 1 3 331.435 3.486 10 0 EGAEHO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000606912579 460759356 /nfs/dbraw/zinc/75/93/56/460759356.db2.gz AZMSQHUUTQNQPO-UWJYYQICSA-N 1 3 348.531 3.294 10 0 EGAEHO NC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CCOCC1 ZINC000629521122 460792375 /nfs/dbraw/zinc/79/23/75/460792375.db2.gz LOQZTAFXCHGGMA-OAHLLOKOSA-N 1 3 343.496 3.285 10 0 EGAEHO CC(C)=CCOc1ccc(CC[C@H](C)NCC2([NH3+])CCOCC2)cc1 ZINC000629521028 460793352 /nfs/dbraw/zinc/79/33/52/460793352.db2.gz KSRLUZAXSLUNHC-SFHVURJKSA-N 1 3 346.515 3.450 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000629529080 460797384 /nfs/dbraw/zinc/79/73/84/460797384.db2.gz RCZKEOBZQJWUAU-INIZCTEOSA-N 1 3 328.456 3.249 10 0 EGAEHO COc1ccc(-c2nc(C)c([C@H](C)NCCOCCC[NH3+])s2)cc1 ZINC000629542352 460801205 /nfs/dbraw/zinc/80/12/05/460801205.db2.gz YNLPSFJLGFSSEE-ZDUSSCGKSA-N 1 3 349.500 3.143 10 0 EGAEHO Fc1ccc(CN2CCCC2)cc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000629702541 460875107 /nfs/dbraw/zinc/87/51/07/460875107.db2.gz ONLTYBSDJVBTQA-UHFFFAOYSA-N 1 3 328.435 3.210 10 0 EGAEHO c1ccc(N2CC[C@@H](C[NH+]3CCC(N4CCCCC4)CC3)C2)cc1 ZINC000637889255 461105416 /nfs/dbraw/zinc/10/54/16/461105416.db2.gz LCAYTFVURDTWLS-IBGZPJMESA-N 1 3 327.516 3.463 10 0 EGAEHO Fc1ccc(CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c(F)c1 ZINC000662252543 461144763 /nfs/dbraw/zinc/14/47/63/461144763.db2.gz QBNQLWCAXRPZEO-KRWDZBQOSA-N 1 3 336.426 3.230 10 0 EGAEHO NC[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC12CCOCC2 ZINC000662272400 461158037 /nfs/dbraw/zinc/15/80/37/461158037.db2.gz FTYPGZXVPIQPIW-RLLQIKCJSA-N 1 3 328.500 3.258 10 0 EGAEHO NC[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC12CCOCC2 ZINC000662272400 461158042 /nfs/dbraw/zinc/15/80/42/461158042.db2.gz FTYPGZXVPIQPIW-RLLQIKCJSA-N 1 3 328.500 3.258 10 0 EGAEHO Clc1cccc([C@@H]2CNCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662272787 461160937 /nfs/dbraw/zinc/16/09/37/461160937.db2.gz PUXGOGOSLXJPOU-FQEVSTJZSA-N 1 3 341.886 3.132 10 0 EGAEHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298187 461176372 /nfs/dbraw/zinc/17/63/72/461176372.db2.gz UUVXOOJJNKZCKU-GDBMZVCRSA-N 1 3 349.906 3.379 10 0 EGAEHO O=C(C[C@H]1NCc2ccccc21)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000659288666 461276223 /nfs/dbraw/zinc/27/62/23/461276223.db2.gz NBZGEZUDZITELM-OAQYLSRUSA-N 1 3 349.478 3.498 10 0 EGAEHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655940059 461546484 /nfs/dbraw/zinc/54/64/84/461546484.db2.gz OJPPRXYKWHZEMZ-RTBURBONSA-N 1 3 338.442 3.116 10 0 EGAEHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655940056 461547229 /nfs/dbraw/zinc/54/72/29/461547229.db2.gz OJPPRXYKWHZEMZ-MOPGFXCFSA-N 1 3 338.442 3.116 10 0 EGAEHO COc1cccc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1OC ZINC000647248737 461588947 /nfs/dbraw/zinc/58/89/47/461588947.db2.gz YUBCICXJGCYVNP-MOPGFXCFSA-N 1 3 340.467 3.139 10 0 EGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCO4)[C@H]3C2)cc1 ZINC000639036497 461682832 /nfs/dbraw/zinc/68/28/32/461682832.db2.gz ANOKPHYDRKBVKC-TUFLPTIASA-N 1 3 328.500 3.446 10 0 EGAEHO c1ccc2c(c1)O[C@H](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CS2 ZINC000647800934 461842614 /nfs/dbraw/zinc/84/26/14/461842614.db2.gz MKPXEMMAEMVFHZ-TWMKSMIVSA-N 1 3 332.513 3.440 10 0 EGAEHO c1ccc(N2CC[C@H](C[NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000639337735 461868308 /nfs/dbraw/zinc/86/83/08/461868308.db2.gz OKVPDLVUBLFFGO-WOJBJXKFSA-N 1 3 327.516 3.225 10 0 EGAEHO COc1cc2c(c(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)O[C@H](C)C2 ZINC000656785503 461895282 /nfs/dbraw/zinc/89/52/82/461895282.db2.gz KXKNDZXSGJXQRL-NVXWUHKLSA-N 1 3 344.499 3.230 10 0 EGAEHO c1nc(-c2ccncc2)sc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786131 461895479 /nfs/dbraw/zinc/89/54/79/461895479.db2.gz LCJVKHTUOVJAIZ-QGZVFWFLSA-N 1 3 342.512 3.417 10 0 EGAEHO [NH3+]CC1(CCNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000650713219 461906901 /nfs/dbraw/zinc/90/69/01/461906901.db2.gz KCNNFFLLRSXNFD-MRXNPFEDSA-N 1 3 338.879 3.116 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000650718754 461911469 /nfs/dbraw/zinc/91/14/69/461911469.db2.gz WJAUMLWSHCJXOV-UHFFFAOYSA-N 1 3 336.439 3.095 10 0 EGAEHO CC[C@@H](NCCC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653875741 461912218 /nfs/dbraw/zinc/91/22/18/461912218.db2.gz ZBRZHGSZLHXOGE-RDGPPVDQSA-N 1 3 326.525 3.251 10 0 EGAEHO CC[C@@H]([NH2+]CCCN[C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653875741 461912222 /nfs/dbraw/zinc/91/22/22/461912222.db2.gz ZBRZHGSZLHXOGE-RDGPPVDQSA-N 1 3 326.525 3.251 10 0 EGAEHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccnn1-c1ccncc1 ZINC000657311736 462037030 /nfs/dbraw/zinc/03/70/30/462037030.db2.gz SRCZILXZABPCPG-KRWDZBQOSA-N 1 3 327.476 3.012 10 0 EGAEHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccnn1-c1ccncc1 ZINC000657311736 462037035 /nfs/dbraw/zinc/03/70/35/462037035.db2.gz SRCZILXZABPCPG-KRWDZBQOSA-N 1 3 327.476 3.012 10 0 EGAEHO CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336708 462057079 /nfs/dbraw/zinc/05/70/79/462057079.db2.gz YMIRTZMJFYJOSD-OALUTQOASA-N 1 3 332.488 3.064 10 0 EGAEHO Cc1c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cnn1C ZINC000657772375 462260343 /nfs/dbraw/zinc/26/03/43/462260343.db2.gz MKRLMMHWPKKZKD-FQEVSTJZSA-N 1 3 338.499 3.120 10 0 EGAEHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccncc1Cl ZINC000658069501 462365960 /nfs/dbraw/zinc/36/59/60/462365960.db2.gz GBKUSDYUECULBQ-CQSZACIVSA-N 1 3 337.895 3.277 10 0 EGAEHO CCc1cccnc1[C@@H](C)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658068769 462366257 /nfs/dbraw/zinc/36/62/57/462366257.db2.gz ZEJRGGGQVYLTCF-MRXNPFEDSA-N 1 3 331.504 3.186 10 0 EGAEHO CC(C)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665263876 462375845 /nfs/dbraw/zinc/37/58/45/462375845.db2.gz WXDGGPQHSAXVLY-INIZCTEOSA-N 1 3 334.508 3.204 10 0 EGAEHO CC(C)c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665263876 462375852 /nfs/dbraw/zinc/37/58/52/462375852.db2.gz WXDGGPQHSAXVLY-INIZCTEOSA-N 1 3 334.508 3.204 10 0 EGAEHO Cc1ccsc1[C@@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138311 462402225 /nfs/dbraw/zinc/40/22/25/462402225.db2.gz JDYSZDZSVZPDTA-CRAIPNDOSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccsc1[C@@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138311 462402231 /nfs/dbraw/zinc/40/22/31/462402231.db2.gz JDYSZDZSVZPDTA-CRAIPNDOSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658141772 462405109 /nfs/dbraw/zinc/40/51/09/462405109.db2.gz UOENIQXOBPJIJI-CRAIPNDOSA-N 1 3 330.497 3.474 10 0 EGAEHO Cc1ccc([C@@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658141772 462405115 /nfs/dbraw/zinc/40/51/15/462405115.db2.gz UOENIQXOBPJIJI-CRAIPNDOSA-N 1 3 330.497 3.474 10 0 EGAEHO COc1ccc([C@H](C)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658146511 462406852 /nfs/dbraw/zinc/40/68/52/462406852.db2.gz VLRWECKIELZEKP-OXJNMPFZSA-N 1 3 340.467 3.113 10 0 EGAEHO COc1ccc([C@H](C)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658146511 462406859 /nfs/dbraw/zinc/40/68/59/462406859.db2.gz VLRWECKIELZEKP-OXJNMPFZSA-N 1 3 340.467 3.113 10 0 EGAEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143234 462407405 /nfs/dbraw/zinc/40/74/05/462407405.db2.gz GKJGOBBEVMLRBM-YWZLYKJASA-N 1 3 328.431 3.243 10 0 EGAEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143234 462407413 /nfs/dbraw/zinc/40/74/13/462407413.db2.gz GKJGOBBEVMLRBM-YWZLYKJASA-N 1 3 328.431 3.243 10 0 EGAEHO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658144337 462407749 /nfs/dbraw/zinc/40/77/49/462407749.db2.gz LRQADRPKIKRZPQ-FCHUYYIVSA-N 1 3 338.495 3.364 10 0 EGAEHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H]1CCOC1 ZINC000310183641 547462120 /nfs/dbraw/zinc/46/21/20/547462120.db2.gz WYIYTMJUSHPQQO-CRSSMBPESA-N 1 3 328.500 3.302 10 0 EGAEHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN[C@]1(C)CCCc2ccccc21 ZINC000676704088 549130780 /nfs/dbraw/zinc/13/07/80/549130780.db2.gz MSYLSLTWPXGGFI-IFMALSPDSA-N 1 3 338.495 3.321 10 0 EGAEHO C[N@H+](Cc1ccccc1)C[C@H](O)CN[C@]1(C)CCCc2ccccc21 ZINC000676704088 549130784 /nfs/dbraw/zinc/13/07/84/549130784.db2.gz MSYLSLTWPXGGFI-IFMALSPDSA-N 1 3 338.495 3.321 10 0 EGAEHO CN1CCC(N2CC[C@@H]([NH2+][C@@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684737 576168954 /nfs/dbraw/zinc/16/89/54/576168954.db2.gz BDIQXGAGYDLFNY-UYAOXDASSA-N 1 3 331.479 3.035 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC000300529830 1296783562 /nfs/dbraw/zinc/78/35/62/1296783562.db2.gz NUEHMLFGEKONDJ-NFAWXSAZSA-N 1 3 325.294 3.439 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H](CN)CC[C@H]1C ZINC000300529830 1296783573 /nfs/dbraw/zinc/78/35/73/1296783573.db2.gz NUEHMLFGEKONDJ-NFAWXSAZSA-N 1 3 325.294 3.439 10 0 EGAEHO CN1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000390665025 1297630639 /nfs/dbraw/zinc/63/06/39/1297630639.db2.gz QTSHVFGNRJLPMD-PMACEKPBSA-N 1 3 329.532 3.361 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCN2CCCC[C@@H]2C)n(C)n1 ZINC000924571897 1323058235 /nfs/dbraw/zinc/05/82/35/1323058235.db2.gz IYDUBLNFCMMZSZ-CMKODMSKSA-N 1 3 332.536 3.294 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)CN2CCCCC2)n(C)n1 ZINC000924722260 1323133407 /nfs/dbraw/zinc/13/34/07/1323133407.db2.gz QQNZVBPZJRAVMN-KPFFTGBYSA-N 1 3 332.536 3.151 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000924939765 1323221432 /nfs/dbraw/zinc/22/14/32/1323221432.db2.gz XGDBRLHUQXLERM-HJNYFJLDSA-N 1 3 342.527 3.346 10 0 EGAEHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925241879 1325092578 /nfs/dbraw/zinc/09/25/78/1325092578.db2.gz TXEOFVCSZLSOGM-BBRMVZONSA-N 1 3 325.884 3.059 10 0 EGAEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000925477757 1325167728 /nfs/dbraw/zinc/16/77/28/1325167728.db2.gz GLMFKHRHQRVOIS-UFYCRDLUSA-N 1 3 330.516 3.392 10 0 EGAEHO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCNC[C@@H]3C3CCCC3)c2c1 ZINC000925485849 1325172349 /nfs/dbraw/zinc/17/23/49/1325172349.db2.gz DPVVERKODCKKAM-CTNGQTDRSA-N 1 3 341.499 3.477 10 0 EGAEHO CN(C)Cc1cc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1F ZINC000925497184 1325178549 /nfs/dbraw/zinc/17/85/49/1325178549.db2.gz FNFRXGBKOIAHOM-UYAOXDASSA-N 1 3 333.495 3.145 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925509935 1325183186 /nfs/dbraw/zinc/18/31/86/1325183186.db2.gz QGUWCHWIIOUEBZ-MOPGFXCFSA-N 1 3 340.515 3.493 10 0 EGAEHO Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)C2)cc1 ZINC000925562614 1325210471 /nfs/dbraw/zinc/21/04/71/1325210471.db2.gz IGCDIHYKUAOQFY-MAODMQOUSA-N 1 3 345.506 3.410 10 0 EGAEHO COc1ccc(COCCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925566095 1325213613 /nfs/dbraw/zinc/21/36/13/1325213613.db2.gz DCLZBVMOLJJISW-NHCUHLMSSA-N 1 3 346.515 3.360 10 0 EGAEHO Cc1cccc(C[C@@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)c1 ZINC000925792261 1325302000 /nfs/dbraw/zinc/30/20/00/1325302000.db2.gz AIRQNNYDCJJVMV-VQTJNVASSA-N 1 3 328.500 3.064 10 0 EGAEHO CC[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccsc1 ZINC000925809153 1325311402 /nfs/dbraw/zinc/31/14/02/1325311402.db2.gz AEFKSXVNDGXVAE-LJQANCHMSA-N 1 3 329.513 3.394 10 0 EGAEHO Cc1cccc([C@@H](NCCN2CCC([NH3+])CC2)c2cccc(F)c2)c1 ZINC000925817706 1325314630 /nfs/dbraw/zinc/31/46/30/1325314630.db2.gz VTKCUNFKKPWKHC-OAQYLSRUSA-N 1 3 341.474 3.236 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC2)ccn1 ZINC000926694200 1327670273 /nfs/dbraw/zinc/67/02/73/1327670273.db2.gz REIFLZLJABJCDL-LEWJYISDSA-N 1 3 343.515 3.088 10 0 EGAEHO CC(C)[N@H+](C)Cc1cccc(CNCc2cnc3c(cnn3C)c2)c1 ZINC000865433527 1329696631 /nfs/dbraw/zinc/69/66/31/1329696631.db2.gz RYLYFUXTFOKVDU-UHFFFAOYSA-N 1 3 337.471 3.098 10 0 EGAEHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cnc3c(cnn3C)c2)c1 ZINC000865433527 1329696633 /nfs/dbraw/zinc/69/66/33/1329696633.db2.gz RYLYFUXTFOKVDU-UHFFFAOYSA-N 1 3 337.471 3.098 10 0 EGAEHO c1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)n(-c2ccncc2)n1 ZINC000865805215 1329739830 /nfs/dbraw/zinc/73/98/30/1329739830.db2.gz VDHYGBCXANXQRB-IBGZPJMESA-N 1 3 339.487 3.154 10 0 EGAEHO c1cc(CNC[C@@H]2CC[N@H+]2C2CCCCCC2)n(-c2ccncc2)n1 ZINC000865805215 1329739833 /nfs/dbraw/zinc/73/98/33/1329739833.db2.gz VDHYGBCXANXQRB-IBGZPJMESA-N 1 3 339.487 3.154 10 0 EGAEHO c1cc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)n(-c2ccncc2)n1 ZINC000865805215 1329739835 /nfs/dbraw/zinc/73/98/35/1329739835.db2.gz VDHYGBCXANXQRB-IBGZPJMESA-N 1 3 339.487 3.154 10 0 EGAEHO CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC ZINC001323145458 1387302244 /nfs/dbraw/zinc/30/22/44/1387302244.db2.gz ZBVXKKWPMVQECD-TYFAACHXSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001323358268 1387351072 /nfs/dbraw/zinc/35/10/72/1387351072.db2.gz RWKBVDAYHMYIAJ-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358268 1387351075 /nfs/dbraw/zinc/35/10/75/1387351075.db2.gz RWKBVDAYHMYIAJ-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1)N1CCCCC1 ZINC001323358268 1387351079 /nfs/dbraw/zinc/35/10/79/1387351079.db2.gz RWKBVDAYHMYIAJ-RTBURBONSA-N 1 3 349.563 3.124 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001324533911 1387661197 /nfs/dbraw/zinc/66/11/97/1387661197.db2.gz VQOPYXYJEVRNEP-HSALFYBXSA-N 1 3 349.563 3.362 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001324533911 1387661201 /nfs/dbraw/zinc/66/12/01/1387661201.db2.gz VQOPYXYJEVRNEP-HSALFYBXSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658379 1387720218 /nfs/dbraw/zinc/72/02/18/1387720218.db2.gz VIFPYXFPMNZLJF-WIYYLYMNSA-N 1 3 347.547 3.332 10 0 EGAEHO C[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1)N1CCCCCC1 ZINC001324658379 1387720222 /nfs/dbraw/zinc/72/02/22/1387720222.db2.gz VIFPYXFPMNZLJF-WIYYLYMNSA-N 1 3 347.547 3.332 10 0 EGAEHO C[C@@H]1CN(C[C@H](O)c2cccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001197368934 1368799810 /nfs/dbraw/zinc/79/98/10/1368799810.db2.gz PLHYBIUXOMACLN-VGSWGCGISA-N 1 3 347.462 3.479 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)N(C)C ZINC001325629773 1388016047 /nfs/dbraw/zinc/01/60/47/1388016047.db2.gz ODKAYWSZGIXYBW-MHORFTMASA-N 1 3 337.552 3.122 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)N(C)C ZINC001325629773 1388016050 /nfs/dbraw/zinc/01/60/50/1388016050.db2.gz ODKAYWSZGIXYBW-MHORFTMASA-N 1 3 337.552 3.122 10 0 EGAEHO CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001325678592 1388028229 /nfs/dbraw/zinc/02/82/29/1388028229.db2.gz DFBREDIVDRZIGL-WAAHFUDESA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)(C)N1CC[C@](F)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001326021703 1388102115 /nfs/dbraw/zinc/10/21/15/1388102115.db2.gz MPWWZAVAVNWDER-HXUWFJFHSA-N 1 3 347.478 3.433 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001326566654 1388241427 /nfs/dbraw/zinc/24/14/27/1388241427.db2.gz MRMOBLPNXRXBPM-QAQDUYKDSA-N 1 3 325.541 3.027 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001266111279 1377189819 /nfs/dbraw/zinc/18/98/19/1377189819.db2.gz YZOMIYFAIJRHCG-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001266111279 1377189820 /nfs/dbraw/zinc/18/98/20/1377189820.db2.gz YZOMIYFAIJRHCG-GOSISDBHSA-N 1 3 337.552 3.077 10 0 EGAEHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246983 1377245489 /nfs/dbraw/zinc/24/54/89/1377245489.db2.gz ZJPLAQMJVUMMKZ-FQEVSTJZSA-N 1 3 345.531 3.116 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001267250853 1377432693 /nfs/dbraw/zinc/43/26/93/1377432693.db2.gz XBDWKJBFTUSWFC-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCC(C)(C)C ZINC001267250853 1377432695 /nfs/dbraw/zinc/43/26/95/1377432695.db2.gz XBDWKJBFTUSWFC-IBGZPJMESA-N 1 3 343.531 3.073 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693656 1377564575 /nfs/dbraw/zinc/56/45/75/1377564575.db2.gz XQNUGSYEBOOTSH-FBQMEGEOSA-N 1 3 344.503 3.013 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001269693656 1377564578 /nfs/dbraw/zinc/56/45/78/1377564578.db2.gz XQNUGSYEBOOTSH-FBQMEGEOSA-N 1 3 344.503 3.013 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001269740500 1377568650 /nfs/dbraw/zinc/56/86/50/1377568650.db2.gz HAXMIWGQTMHWJW-XFHJGTJQSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001327456178 1388524539 /nfs/dbraw/zinc/52/45/39/1388524539.db2.gz XYXXWTGHOOWZAM-GOSISDBHSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCC(C)(C)CC2)CC1)N(C)C ZINC001279583545 1378314632 /nfs/dbraw/zinc/31/46/32/1378314632.db2.gz ZSMYYXQZSOZHFH-LJQANCHMSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@@H+](CC2CCC(C)(C)CC2)CC1)N(C)C ZINC001279583545 1378314637 /nfs/dbraw/zinc/31/46/37/1378314637.db2.gz ZSMYYXQZSOZHFH-LJQANCHMSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478801 1378511158 /nfs/dbraw/zinc/51/11/58/1378511158.db2.gz UKDUHMHJBLSRFU-RHSMWYFYSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478801 1378511161 /nfs/dbraw/zinc/51/11/61/1378511161.db2.gz UKDUHMHJBLSRFU-RHSMWYFYSA-N 1 3 347.528 3.178 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001290244810 1382077471 /nfs/dbraw/zinc/07/74/71/1382077471.db2.gz NBKODJHSMYIKIH-MRXNPFEDSA-N 1 3 342.487 3.285 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001290244810 1382077475 /nfs/dbraw/zinc/07/74/75/1382077475.db2.gz NBKODJHSMYIKIH-MRXNPFEDSA-N 1 3 342.487 3.285 10 0 EGAEHO CC[NH+](CC)CCCC1CCN(Cc2cccc(N(C)C)n2)CC1 ZINC001169196931 1384121767 /nfs/dbraw/zinc/12/17/67/1384121767.db2.gz INZWOMJXGFZXSP-UHFFFAOYSA-N 1 3 332.536 3.482 10 0 EGAEHO Cc1cccc(C)c1CN1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001316607607 1384476829 /nfs/dbraw/zinc/47/68/29/1384476829.db2.gz UAWOXZBCRRSQTO-IBGZPJMESA-N 1 3 345.531 3.068 10 0 EGAEHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)N1CCCCCC1 ZINC001316625719 1384490759 /nfs/dbraw/zinc/49/07/59/1384490759.db2.gz VWHWAVAHPQWFTG-RLLQIKCJSA-N 1 3 347.547 3.236 10 0 EGAEHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001316643988 1384503108 /nfs/dbraw/zinc/50/31/08/1384503108.db2.gz JGMGNBNVWXBSNZ-ZCNNSNEGSA-N 1 3 345.531 3.101 10 0 EGAEHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001316643988 1384503113 /nfs/dbraw/zinc/50/31/13/1384503113.db2.gz JGMGNBNVWXBSNZ-ZCNNSNEGSA-N 1 3 345.531 3.101 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014366 1384779008 /nfs/dbraw/zinc/77/90/08/1384779008.db2.gz ULRODCNWTWYPTN-ROUUACIJSA-N 1 3 337.552 3.170 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1 ZINC001317042652 1384816079 /nfs/dbraw/zinc/81/60/79/1384816079.db2.gz ZLZFRZSPGSOIPA-FQEVSTJZSA-N 1 3 349.563 3.389 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2=CCCCC2)C1 ZINC001317042652 1384816080 /nfs/dbraw/zinc/81/60/80/1384816080.db2.gz ZLZFRZSPGSOIPA-FQEVSTJZSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)c1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001317179582 1384954798 /nfs/dbraw/zinc/95/47/98/1384954798.db2.gz UWBWDRFYVGCMQB-FQEVSTJZSA-N 1 3 345.531 3.232 10 0 EGAEHO CN(C)C1(C(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)CCC1 ZINC001317218009 1384998073 /nfs/dbraw/zinc/99/80/73/1384998073.db2.gz ZPFUIMRRRXHGJM-UHFFFAOYSA-N 1 3 349.563 3.458 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)c1 ZINC001317415909 1385126022 /nfs/dbraw/zinc/12/60/22/1385126022.db2.gz PGZCNSQURXLBHQ-ZWKOTPCHSA-N 1 3 333.520 3.189 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CCC1CCCCC1 ZINC001317491659 1385192163 /nfs/dbraw/zinc/19/21/63/1385192163.db2.gz DQOHZSKYNVBRHZ-HDICACEKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)CCC1CCCCC1 ZINC001317491659 1385192164 /nfs/dbraw/zinc/19/21/64/1385192164.db2.gz DQOHZSKYNVBRHZ-HDICACEKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001317504709 1385210341 /nfs/dbraw/zinc/21/03/41/1385210341.db2.gz IGQCSNNJFUNALG-LXORQPIJSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001317504709 1385210344 /nfs/dbraw/zinc/21/03/44/1385210344.db2.gz IGQCSNNJFUNALG-LXORQPIJSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N1CCCC1 ZINC001317507464 1385215952 /nfs/dbraw/zinc/21/59/52/1385215952.db2.gz ZSSGUYAYTSDTGT-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCCC1 ZINC001317507464 1385215954 /nfs/dbraw/zinc/21/59/54/1385215954.db2.gz ZSSGUYAYTSDTGT-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317530724 1385255121 /nfs/dbraw/zinc/25/51/21/1385255121.db2.gz ZAKGICFCFBWOEE-MNVMYWNISA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001317530724 1385255122 /nfs/dbraw/zinc/25/51/22/1385255122.db2.gz ZAKGICFCFBWOEE-MNVMYWNISA-N 1 3 349.563 3.435 10 0 EGAEHO CC[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581611 1385769517 /nfs/dbraw/zinc/76/95/17/1385769517.db2.gz KRCMMJMLTWAFOU-PKOBYXMFSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCCC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001319031178 1385936332 /nfs/dbraw/zinc/93/63/32/1385936332.db2.gz CGYOHGBKVDKBRT-SFHVURJKSA-N 1 3 347.547 3.047 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001319352170 1386074588 /nfs/dbraw/zinc/07/45/88/1386074588.db2.gz ROJSQZVAAAXQPA-KRWDZBQOSA-N 1 3 337.552 3.314 10 0 EGAEHO CCCCC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001698633536 1406277521 /nfs/dbraw/zinc/27/75/21/1406277521.db2.gz MDADAZGLIQMLRY-GOSISDBHSA-N 1 3 337.552 3.460 10 0 EGAEHO CC(C)c1noc(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001319767356 1386287289 /nfs/dbraw/zinc/28/72/89/1386287289.db2.gz MIKFQPYQCCHTBT-AEFFLSMTSA-N 1 3 342.487 3.236 10 0 EGAEHO CC(C)c1noc(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001319767356 1386287292 /nfs/dbraw/zinc/28/72/92/1386287292.db2.gz MIKFQPYQCCHTBT-AEFFLSMTSA-N 1 3 342.487 3.236 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775279 1386291881 /nfs/dbraw/zinc/29/18/81/1386291881.db2.gz SYUZWVCAEOMNBY-ROUUACIJSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC[N@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001319888345 1386363608 /nfs/dbraw/zinc/36/36/08/1386363608.db2.gz OMUKYYIUOLYCRY-FQEVSTJZSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001319888345 1386363613 /nfs/dbraw/zinc/36/36/13/1386363613.db2.gz OMUKYYIUOLYCRY-FQEVSTJZSA-N 1 3 349.563 3.388 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001698673910 1406322651 /nfs/dbraw/zinc/32/26/51/1406322651.db2.gz OQLZUTVPVKAXLK-VQTJNVASSA-N 1 3 349.563 3.435 10 0 EGAEHO CN(CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1)CC(C)(C)C ZINC001321252098 1386857093 /nfs/dbraw/zinc/85/70/93/1386857093.db2.gz UICAEKFZWIPLBT-AATRIKPKSA-N 1 3 349.563 3.197 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177722 1387089508 /nfs/dbraw/zinc/08/95/08/1387089508.db2.gz VOJTWHYFWSHLPD-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001322177722 1387089510 /nfs/dbraw/zinc/08/95/10/1387089510.db2.gz VOJTWHYFWSHLPD-ZWKOTPCHSA-N 1 3 345.531 3.285 10 0 EGAEHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2s1 ZINC001322274678 1387133838 /nfs/dbraw/zinc/13/38/38/1387133838.db2.gz PTSMVGPAZDWVFB-HNNXBMFYSA-N 1 3 347.528 3.180 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2s1 ZINC001322274678 1387133841 /nfs/dbraw/zinc/13/38/41/1387133841.db2.gz PTSMVGPAZDWVFB-HNNXBMFYSA-N 1 3 347.528 3.180 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001329201696 1389018624 /nfs/dbraw/zinc/01/86/24/1389018624.db2.gz FEXVGWMNBVDUCY-DLBZAZTESA-N 1 3 341.499 3.163 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001698711412 1406353426 /nfs/dbraw/zinc/35/34/26/1406353426.db2.gz KPIBRSPYSZHKOA-JZANDJSESA-N 1 3 335.536 3.234 10 0 EGAEHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2=CCCCC2)cc1)N(C)C ZINC001698719320 1406364064 /nfs/dbraw/zinc/36/40/64/1406364064.db2.gz AHZHAIMASRAMHN-FQEVSTJZSA-N 1 3 343.515 3.233 10 0 EGAEHO Cc1ccc(CN2C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)cc1 ZINC001330245682 1389364070 /nfs/dbraw/zinc/36/40/70/1389364070.db2.gz WUZJPJJPKOWLEE-IBGZPJMESA-N 1 3 345.531 3.054 10 0 EGAEHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1 ZINC001331944305 1389921128 /nfs/dbraw/zinc/92/11/28/1389921128.db2.gz ONKGJHUQYOQAIA-FXAWDEMLSA-N 1 3 345.531 3.058 10 0 EGAEHO Cc1ccccc1C[N@@H+](C)CCN(C(=O)CN(C)C1CCC1)C(C)C ZINC001332711582 1390165019 /nfs/dbraw/zinc/16/50/19/1390165019.db2.gz UFYYWLBGZIWOLG-UHFFFAOYSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1ccccc1C[N@H+](C)CCN(C(=O)CN(C)C1CCC1)C(C)C ZINC001332711582 1390165021 /nfs/dbraw/zinc/16/50/21/1390165021.db2.gz UFYYWLBGZIWOLG-UHFFFAOYSA-N 1 3 345.531 3.148 10 0 EGAEHO CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001332950644 1390223237 /nfs/dbraw/zinc/22/32/37/1390223237.db2.gz VPSGPOUOPGTWSR-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[NH+]1CCC([C@@H](C)NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001332960059 1390224409 /nfs/dbraw/zinc/22/44/09/1390224409.db2.gz LEMMDVDTJFGPCB-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCCC1 ZINC001698802159 1406479732 /nfs/dbraw/zinc/47/97/32/1406479732.db2.gz BWFHVUNWTGJWKP-ROUUACIJSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001698804117 1406483174 /nfs/dbraw/zinc/48/31/74/1406483174.db2.gz SFTUSAAKXBWPGP-IRXDYDNUSA-N 1 3 341.515 3.016 10 0 EGAEHO CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CCC)C2)CC1 ZINC001479501843 1392258652 /nfs/dbraw/zinc/25/86/52/1392258652.db2.gz FKZLLADBUGLDFP-SFHVURJKSA-N 1 3 337.552 3.221 10 0 EGAEHO CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479854681 1392434616 /nfs/dbraw/zinc/43/46/16/1392434616.db2.gz LPAADPDFSHAHHY-VQIMIIECSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[C@@H](C)C[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001479854681 1392434620 /nfs/dbraw/zinc/43/46/20/1392434620.db2.gz LPAADPDFSHAHHY-VQIMIIECSA-N 1 3 343.531 3.073 10 0 EGAEHO C[N@H+](CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1)C1CCCCC1 ZINC001479959089 1392495251 /nfs/dbraw/zinc/49/52/51/1392495251.db2.gz ABMKJVFJCOOZCQ-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO C[N@@H+](CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1)C1CCCCC1 ZINC001479959089 1392495252 /nfs/dbraw/zinc/49/52/52/1392495252.db2.gz ABMKJVFJCOOZCQ-IBGZPJMESA-N 1 3 347.547 3.332 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860222 1406569924 /nfs/dbraw/zinc/56/99/24/1406569924.db2.gz IEVRFVHFGVFQOH-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001479984374 1392516963 /nfs/dbraw/zinc/51/69/63/1392516963.db2.gz BCASLODZGNEBOM-LKGOPFMKSA-N 1 3 349.563 3.291 10 0 EGAEHO CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001479984826 1392517317 /nfs/dbraw/zinc/51/73/17/1392517317.db2.gz HVXSQLUXHSESLW-VTFYZGIISA-N 1 3 335.536 3.044 10 0 EGAEHO CCCC[NH+]1CCC(N(CCC)C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001479996606 1392528771 /nfs/dbraw/zinc/52/87/71/1392528771.db2.gz OJBXEKMAOUWYQK-QZTJIDSGSA-N 1 3 337.552 3.362 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021291 1392538344 /nfs/dbraw/zinc/53/83/44/1392538344.db2.gz YTSVOGHRDBYKPP-WOJBJXKFSA-N 1 3 347.547 3.234 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595517 1392810560 /nfs/dbraw/zinc/81/05/60/1392810560.db2.gz BTXAPQKCLDIBQE-IRXDYDNUSA-N 1 3 347.547 3.480 10 0 EGAEHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001481278808 1393157301 /nfs/dbraw/zinc/15/73/01/1393157301.db2.gz ABKWNIXJJGSQFT-OXQOHEQNSA-N 1 3 349.494 3.008 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938776 1406678864 /nfs/dbraw/zinc/67/88/64/1406678864.db2.gz NWZIDNXJZMUBHK-UYAOXDASSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001698946238 1406686133 /nfs/dbraw/zinc/68/61/33/1406686133.db2.gz OFDGSETUGLWRRO-YLJYHZDGSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001481696652 1394457962 /nfs/dbraw/zinc/45/79/62/1394457962.db2.gz DFDMFNGBVVQEHU-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001481696652 1394457965 /nfs/dbraw/zinc/45/79/65/1394457965.db2.gz DFDMFNGBVVQEHU-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856154 1394561796 /nfs/dbraw/zinc/56/17/96/1394561796.db2.gz PHKJPTSLWGVKOI-IEBWSBKVSA-N 1 3 335.536 3.236 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001482016907 1394673777 /nfs/dbraw/zinc/67/37/77/1394673777.db2.gz PGWLRBAOLSLECS-QRQJLMRGSA-N 1 3 335.536 3.234 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccc(C)c1 ZINC001482464201 1395021190 /nfs/dbraw/zinc/02/11/90/1395021190.db2.gz WUAZGBZXAMLQBS-FQEVSTJZSA-N 1 3 345.531 3.198 10 0 EGAEHO C[N@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)CC1=CCCCC1 ZINC001482507308 1395060835 /nfs/dbraw/zinc/06/08/35/1395060835.db2.gz UHSNYDUTVQZGEH-UHFFFAOYSA-N 1 3 344.503 3.013 10 0 EGAEHO C[N@@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)CC1=CCCCC1 ZINC001482507308 1395060840 /nfs/dbraw/zinc/06/08/40/1395060840.db2.gz UHSNYDUTVQZGEH-UHFFFAOYSA-N 1 3 344.503 3.013 10 0 EGAEHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCC(C)(C)C ZINC001698973415 1406739294 /nfs/dbraw/zinc/73/92/94/1406739294.db2.gz XSQMSCXBCFSLER-MRXNPFEDSA-N 1 3 325.541 3.027 10 0 EGAEHO CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001484170391 1395310442 /nfs/dbraw/zinc/31/04/42/1395310442.db2.gz PGFZQRBACAMEDX-AZUAARDMSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001484170391 1395310450 /nfs/dbraw/zinc/31/04/50/1395310450.db2.gz PGFZQRBACAMEDX-AZUAARDMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001484558093 1395440826 /nfs/dbraw/zinc/44/08/26/1395440826.db2.gz ZHJPDFXEPWNXGG-SFHVURJKSA-N 1 3 343.515 3.043 10 0 EGAEHO CC(C)=CCN(C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001484558093 1395440828 /nfs/dbraw/zinc/44/08/28/1395440828.db2.gz ZHJPDFXEPWNXGG-SFHVURJKSA-N 1 3 343.515 3.043 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484723854 1395487266 /nfs/dbraw/zinc/48/72/66/1395487266.db2.gz KQIZXCYCMQJVLW-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1)N(C)C ZINC001484723854 1395487267 /nfs/dbraw/zinc/48/72/67/1395487267.db2.gz KQIZXCYCMQJVLW-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001485110806 1395660082 /nfs/dbraw/zinc/66/00/82/1395660082.db2.gz WXFBFBLVPJNQMN-MHJFOBGBSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001502714628 1396219238 /nfs/dbraw/zinc/21/92/38/1396219238.db2.gz BREZIMCFRMHKBW-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccccc1C(C)C ZINC001493042378 1396333798 /nfs/dbraw/zinc/33/37/98/1396333798.db2.gz CIZGIMGQRBHYRW-GOSISDBHSA-N 1 3 345.531 3.090 10 0 EGAEHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccccc1C(C)C ZINC001493042378 1396333799 /nfs/dbraw/zinc/33/37/99/1396333799.db2.gz CIZGIMGQRBHYRW-GOSISDBHSA-N 1 3 345.531 3.090 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001497761991 1396832014 /nfs/dbraw/zinc/83/20/14/1396832014.db2.gz DOHRMYUHVCBUPD-OLHLWXQYSA-N 1 3 335.536 3.093 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001689363485 1403700774 /nfs/dbraw/zinc/70/07/74/1403700774.db2.gz URZSHFDUMSOSBO-ZWHYWQQASA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001689363485 1403700784 /nfs/dbraw/zinc/70/07/84/1403700784.db2.gz URZSHFDUMSOSBO-ZWHYWQQASA-N 1 3 337.552 3.290 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689912177 1404205657 /nfs/dbraw/zinc/20/56/57/1404205657.db2.gz RLBYOHHKMHWSFP-IRXDYDNUSA-N 1 3 325.541 3.122 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001690380451 1404512304 /nfs/dbraw/zinc/51/23/04/1404512304.db2.gz AAHVQYMPQLGIFW-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001690380451 1404512310 /nfs/dbraw/zinc/51/23/10/1404512310.db2.gz AAHVQYMPQLGIFW-SFHVURJKSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)(C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1)N1CCCC1 ZINC001690539107 1404626614 /nfs/dbraw/zinc/62/66/14/1404626614.db2.gz RBMABFGVOPEKRX-UHFFFAOYSA-N 1 3 349.563 3.458 10 0 EGAEHO CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001732002056 1428213031 /nfs/dbraw/zinc/21/30/31/1428213031.db2.gz ZGVBOFWILSVRBU-ZMBJWTFHSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691113930 1405054256 /nfs/dbraw/zinc/05/42/56/1405054256.db2.gz YLMQHEIIKQMJGM-RBUKOAKNSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163046 1405098057 /nfs/dbraw/zinc/09/80/57/1405098057.db2.gz NEJYLQIXTVTQTO-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001691163046 1405098059 /nfs/dbraw/zinc/09/80/59/1405098059.db2.gz NEJYLQIXTVTQTO-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001691194035 1405131807 /nfs/dbraw/zinc/13/18/07/1405131807.db2.gz KAFCOZQOBJLPBE-ROUUACIJSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001691194035 1405131814 /nfs/dbraw/zinc/13/18/14/1405131814.db2.gz KAFCOZQOBJLPBE-ROUUACIJSA-N 1 3 349.544 3.093 10 0 EGAEHO CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001691785925 1405494424 /nfs/dbraw/zinc/49/44/24/1405494424.db2.gz IXHREGORIJLRKT-JZANDJSESA-N 1 3 335.536 3.092 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(C/C=C/Cl)CC(C)(C)C1 ZINC001691823374 1405539423 /nfs/dbraw/zinc/53/94/23/1405539423.db2.gz NKXFYSCOOANRPB-JCVNQNCUSA-N 1 3 343.943 3.078 10 0 EGAEHO CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(CC=C(C)C)C1 ZINC001691853548 1405570305 /nfs/dbraw/zinc/57/03/05/1405570305.db2.gz YTMLCFSPPPLQMH-OALUTQOASA-N 1 3 335.536 3.140 10 0 EGAEHO CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CCN(CC=C(C)C)C1 ZINC001691853548 1405570308 /nfs/dbraw/zinc/57/03/08/1405570308.db2.gz YTMLCFSPPPLQMH-OALUTQOASA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001691924375 1405655767 /nfs/dbraw/zinc/65/57/67/1405655767.db2.gz AHFYHMKKSGFKLM-OTWHNJEPSA-N 1 3 337.552 3.170 10 0 EGAEHO CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001691960333 1405677692 /nfs/dbraw/zinc/67/76/92/1405677692.db2.gz PAARJFMENXBUJA-QULHZPMSSA-N 1 3 349.563 3.386 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001692329391 1405947867 /nfs/dbraw/zinc/94/78/67/1405947867.db2.gz IBYSJZPWLDGPON-VGOKWCNXSA-N 1 3 332.492 3.059 10 0 EGAEHO CC/C=C\CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001732154506 1428398364 /nfs/dbraw/zinc/39/83/64/1428398364.db2.gz ROQHXEGGRGGDPS-HHOLJBISSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C\CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001732154506 1428398367 /nfs/dbraw/zinc/39/83/67/1428398367.db2.gz ROQHXEGGRGGDPS-HHOLJBISSA-N 1 3 347.547 3.330 10 0 EGAEHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213438 1428461243 /nfs/dbraw/zinc/46/12/43/1428461243.db2.gz ZXVHJRNQQMAARX-AEFFLSMTSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001732458939 1428591340 /nfs/dbraw/zinc/59/13/40/1428591340.db2.gz MLZWXWUEKDOPJE-OAHLLOKOSA-N 1 3 347.528 3.178 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001732494519 1428616056 /nfs/dbraw/zinc/61/60/56/1428616056.db2.gz JSPHHZQTVVBAOY-HKUYNNGSSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001732497624 1428618917 /nfs/dbraw/zinc/61/89/17/1428618917.db2.gz CGQWTEBNZLAJBP-PKOBYXMFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158524 1412542908 /nfs/dbraw/zinc/54/29/08/1412542908.db2.gz FTHLHAZTZXYCAN-ICSRJNTNSA-N 1 3 345.531 3.162 10 0 EGAEHO C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001699160578 1412544121 /nfs/dbraw/zinc/54/41/21/1412544121.db2.gz SCYDSDGTBCAZCN-INIZCTEOSA-N 1 3 345.531 3.282 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C)cc1C ZINC001699474178 1412861848 /nfs/dbraw/zinc/86/18/48/1412861848.db2.gz KFWFIXGJIFDIKO-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1C ZINC001699474178 1412861851 /nfs/dbraw/zinc/86/18/51/1412861851.db2.gz KFWFIXGJIFDIKO-QUCCMNQESA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001699533509 1412909837 /nfs/dbraw/zinc/90/98/37/1412909837.db2.gz LSIZGOWUBYAEIQ-IEBWSBKVSA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001699696107 1413105670 /nfs/dbraw/zinc/10/56/70/1413105670.db2.gz ZMHYLNVOTVCQLN-NRFANRHFSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001699696107 1413105672 /nfs/dbraw/zinc/10/56/72/1413105672.db2.gz ZMHYLNVOTVCQLN-NRFANRHFSA-N 1 3 349.563 3.245 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1)N(C)C ZINC001699758118 1413164523 /nfs/dbraw/zinc/16/45/23/1413164523.db2.gz FAJZAIWZYWHQLD-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001699767385 1413172593 /nfs/dbraw/zinc/17/25/93/1413172593.db2.gz QSFPCCOSRHLFCR-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001699770205 1413176140 /nfs/dbraw/zinc/17/61/40/1413176140.db2.gz FXOMLZOEUZIHJY-KRWDZBQOSA-N 1 3 349.544 3.093 10 0 EGAEHO C[N@H+]1CCC[C@H]1CCC(=O)NC1(C)CCN(Cc2ccsc2)CC1 ZINC001699770205 1413176143 /nfs/dbraw/zinc/17/61/43/1413176143.db2.gz FXOMLZOEUZIHJY-KRWDZBQOSA-N 1 3 349.544 3.093 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001699876864 1413335558 /nfs/dbraw/zinc/33/55/58/1413335558.db2.gz LAEDTEMYPMXKRF-LAYSSIRVSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001699876864 1413335561 /nfs/dbraw/zinc/33/55/61/1413335561.db2.gz LAEDTEMYPMXKRF-LAYSSIRVSA-N 1 3 337.552 3.147 10 0 EGAEHO CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001699979758 1413424572 /nfs/dbraw/zinc/42/45/72/1413424572.db2.gz UOBXCYXPMQWIDZ-VAMGGRTRSA-N 1 3 349.563 3.339 10 0 EGAEHO C[C@@H]([NH2+]CCC1=CCCCC1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001700418872 1413966276 /nfs/dbraw/zinc/96/62/76/1413966276.db2.gz UWWWPDKGIZENDC-SJORKVTESA-N 1 3 337.552 3.338 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001700462136 1414063182 /nfs/dbraw/zinc/06/31/82/1414063182.db2.gz CQBDXJJPQNATLU-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001700462136 1414063185 /nfs/dbraw/zinc/06/31/85/1414063185.db2.gz CQBDXJJPQNATLU-MRXNPFEDSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700521564 1414177587 /nfs/dbraw/zinc/17/75/87/1414177587.db2.gz PPPAVACESSHUOD-ROUUACIJSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001700522083 1414177994 /nfs/dbraw/zinc/17/79/94/1414177994.db2.gz VHTKBWJOQMYLLJ-UHFFFAOYSA-N 1 3 349.494 3.075 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C1 ZINC001700617878 1414285390 /nfs/dbraw/zinc/28/53/90/1414285390.db2.gz UZWVFWSUZZGHGS-VAMGGRTRSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C1 ZINC001700617878 1414285392 /nfs/dbraw/zinc/28/53/92/1414285392.db2.gz UZWVFWSUZZGHGS-VAMGGRTRSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915281 1414568438 /nfs/dbraw/zinc/56/84/38/1414568438.db2.gz CLNHDKDXVDAEHJ-RTBURBONSA-N 1 3 349.563 3.266 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915279 1414568497 /nfs/dbraw/zinc/56/84/97/1414568497.db2.gz CLNHDKDXVDAEHJ-OALUTQOASA-N 1 3 349.563 3.266 10 0 EGAEHO CN(CC(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21)CC(C)(C)C ZINC001732592772 1428819629 /nfs/dbraw/zinc/81/96/29/1428819629.db2.gz OQKZVQNTZNSYKU-IBGZPJMESA-N 1 3 345.531 3.042 10 0 EGAEHO CN(CC(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21)CC(C)(C)C ZINC001732592772 1428819631 /nfs/dbraw/zinc/81/96/31/1428819631.db2.gz OQKZVQNTZNSYKU-IBGZPJMESA-N 1 3 345.531 3.042 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C)N(C)C ZINC001700998964 1414649956 /nfs/dbraw/zinc/64/99/56/1414649956.db2.gz YPVIKPOXZQZWBY-RTBURBONSA-N 1 3 347.547 3.264 10 0 EGAEHO CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001701013527 1414675456 /nfs/dbraw/zinc/67/54/56/1414675456.db2.gz OGEPBRABYXGCGK-DVBCCOPCSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732956712 1429080565 /nfs/dbraw/zinc/08/05/65/1429080565.db2.gz LZQUXXAFDUYMKN-MJGOQNOKSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001712984148 1417535941 /nfs/dbraw/zinc/53/59/41/1417535941.db2.gz VDNCXTGWTGJDLJ-PKOBYXMFSA-N 1 3 333.520 3.143 10 0 EGAEHO CC[C@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001712984148 1417535946 /nfs/dbraw/zinc/53/59/46/1417535946.db2.gz VDNCXTGWTGJDLJ-PKOBYXMFSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181091 1417755471 /nfs/dbraw/zinc/75/54/71/1417755471.db2.gz DEUOXDOCFATPNW-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713181091 1417755473 /nfs/dbraw/zinc/75/54/73/1417755473.db2.gz DEUOXDOCFATPNW-UYAOXDASSA-N 1 3 349.563 3.364 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCCC1 ZINC001733065145 1429218067 /nfs/dbraw/zinc/21/80/67/1429218067.db2.gz GXMPPWKHDIJHJW-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCCCC1 ZINC001733065145 1429218070 /nfs/dbraw/zinc/21/80/70/1429218070.db2.gz GXMPPWKHDIJHJW-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001713492976 1418194599 /nfs/dbraw/zinc/19/45/99/1418194599.db2.gz RPQVNUDHVJYVKP-MJGOQNOKSA-N 1 3 345.531 3.144 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001713492976 1418194601 /nfs/dbraw/zinc/19/46/01/1418194601.db2.gz RPQVNUDHVJYVKP-MJGOQNOKSA-N 1 3 345.531 3.144 10 0 EGAEHO CCCN(C)CC(=O)N(C)CC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001713657119 1418417347 /nfs/dbraw/zinc/41/73/47/1418417347.db2.gz YMULNHBBVZHZTK-UHFFFAOYSA-N 1 3 339.568 3.229 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975224 1418754953 /nfs/dbraw/zinc/75/49/53/1418754953.db2.gz JSBUGHOHJQWOEI-SRXMEYSWSA-N 1 3 347.547 3.140 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975224 1418754954 /nfs/dbraw/zinc/75/49/54/1418754954.db2.gz JSBUGHOHJQWOEI-SRXMEYSWSA-N 1 3 347.547 3.140 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714001294 1418781498 /nfs/dbraw/zinc/78/14/98/1418781498.db2.gz USZACJFGIJXJQU-SFHVURJKSA-N 1 3 337.552 3.364 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001714001294 1418781501 /nfs/dbraw/zinc/78/15/01/1418781501.db2.gz USZACJFGIJXJQU-SFHVURJKSA-N 1 3 337.552 3.364 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186787 1429288506 /nfs/dbraw/zinc/28/85/06/1429288506.db2.gz ZVBSATJJLWDAJZ-QZTJIDSGSA-N 1 3 337.552 3.170 10 0 EGAEHO CN(CC(=O)N1CCC[C@H](CC[NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001714211367 1419010675 /nfs/dbraw/zinc/01/06/75/1419010675.db2.gz TYTUOIHGTGJMNX-QGZVFWFLSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001733198857 1429301919 /nfs/dbraw/zinc/30/19/19/1429301919.db2.gz MSIUMSKOADSZDD-MOPGFXCFSA-N 1 3 337.552 3.124 10 0 EGAEHO CCC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001714252967 1419038102 /nfs/dbraw/zinc/03/81/02/1419038102.db2.gz BREDIHDLUGZZGY-UEKDZROGSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001714395611 1419141661 /nfs/dbraw/zinc/14/16/61/1419141661.db2.gz DZNMEXLQNMOZRT-HKUYNNGSSA-N 1 3 349.563 3.173 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001714417835 1419154793 /nfs/dbraw/zinc/15/47/93/1419154793.db2.gz RBCFYCFNIVZNJC-RHYMJRRZSA-N 1 3 343.515 3.057 10 0 EGAEHO CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001714418031 1419155121 /nfs/dbraw/zinc/15/51/21/1419155121.db2.gz UHERHLGXCXGFHQ-RBUKOAKNSA-N 1 3 331.504 3.179 10 0 EGAEHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001714489360 1419212848 /nfs/dbraw/zinc/21/28/48/1419212848.db2.gz KJXGCSTXGMSFCR-IAGOWNOFSA-N 1 3 337.552 3.029 10 0 EGAEHO CC[C@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1)N(C)C ZINC001714510435 1419237950 /nfs/dbraw/zinc/23/79/50/1419237950.db2.gz ZQXJXUUFMDMYIX-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001714652055 1419429801 /nfs/dbraw/zinc/42/98/01/1419429801.db2.gz ZQTSCMUOKWUMEA-LJQANCHMSA-N 1 3 345.531 3.090 10 0 EGAEHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC001714652055 1419429803 /nfs/dbraw/zinc/42/98/03/1419429803.db2.gz ZQTSCMUOKWUMEA-LJQANCHMSA-N 1 3 345.531 3.090 10 0 EGAEHO CC(C)=CCN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838328 1419550680 /nfs/dbraw/zinc/55/06/80/1419550680.db2.gz ZKNFHBLZAGKBSA-UXHICEINSA-N 1 3 343.515 3.273 10 0 EGAEHO CC(C)=CCN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714838328 1419550683 /nfs/dbraw/zinc/55/06/83/1419550683.db2.gz ZKNFHBLZAGKBSA-UXHICEINSA-N 1 3 343.515 3.273 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862426 1419585305 /nfs/dbraw/zinc/58/53/05/1419585305.db2.gz GMMIAXXANPXEOM-UEKDZROGSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714862426 1419585307 /nfs/dbraw/zinc/58/53/07/1419585307.db2.gz GMMIAXXANPXEOM-UEKDZROGSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001714880351 1419616056 /nfs/dbraw/zinc/61/60/56/1419616056.db2.gz CKSDYLKNGNLOFB-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001714880351 1419616057 /nfs/dbraw/zinc/61/60/57/1419616057.db2.gz CKSDYLKNGNLOFB-AZUAARDMSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001714880354 1419616110 /nfs/dbraw/zinc/61/61/10/1419616110.db2.gz CKSDYLKNGNLOFB-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001714880354 1419616113 /nfs/dbraw/zinc/61/61/13/1419616113.db2.gz CKSDYLKNGNLOFB-UYAOXDASSA-N 1 3 349.563 3.127 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018573 1419748206 /nfs/dbraw/zinc/74/82/06/1419748206.db2.gz IAMIDCICVRQIIP-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018573 1419748208 /nfs/dbraw/zinc/74/82/08/1419748208.db2.gz IAMIDCICVRQIIP-OALUTQOASA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C2CC2)c1 ZINC001715121715 1419866543 /nfs/dbraw/zinc/86/65/43/1419866543.db2.gz BGYXEQIQBRZUBK-DYESRHJHSA-N 1 3 345.531 3.271 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C2CC2)c(C)c1 ZINC001715124909 1419870823 /nfs/dbraw/zinc/87/08/23/1419870823.db2.gz NSXSDPPEOUMGDC-OAQYLSRUSA-N 1 3 345.531 3.018 10 0 EGAEHO CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001715161002 1419902573 /nfs/dbraw/zinc/90/25/73/1419902573.db2.gz LQIJLCSYQZSKAA-RBUKOAKNSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1)c1ccccc1 ZINC001715192179 1419924106 /nfs/dbraw/zinc/92/41/06/1419924106.db2.gz XFJFCQPJSPAWDL-VAMGGRTRSA-N 1 3 345.531 3.495 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CCCCC1)N(C)C ZINC001715399905 1420098176 /nfs/dbraw/zinc/09/81/76/1420098176.db2.gz KLHXHIXCLVORRV-WOJBJXKFSA-N 1 3 345.531 3.182 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccsc1)C1CCC1 ZINC001715436972 1420122909 /nfs/dbraw/zinc/12/29/09/1420122909.db2.gz WDQCFDIQZUUATG-SFHVURJKSA-N 1 3 349.544 3.093 10 0 EGAEHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)c1cc(C)ccc1C)N(C)C ZINC001715757315 1420328590 /nfs/dbraw/zinc/32/85/90/1420328590.db2.gz KIZYEDWXHXHDPA-HKUYNNGSSA-N 1 3 333.520 3.143 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715979659 1420438885 /nfs/dbraw/zinc/43/88/85/1420438885.db2.gz SAKAQOHCXZMPAU-FUHWJXTLSA-N 1 3 337.552 3.172 10 0 EGAEHO CCc1cccc(CN(C)C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001716025857 1420482839 /nfs/dbraw/zinc/48/28/39/1420482839.db2.gz PQYRAXSNJSGZFM-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1cccc(CN(C)C[C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)c1 ZINC001716025857 1420482841 /nfs/dbraw/zinc/48/28/41/1420482841.db2.gz PQYRAXSNJSGZFM-PXNSSMCTSA-N 1 3 345.531 3.060 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001716048806 1420512461 /nfs/dbraw/zinc/51/24/61/1420512461.db2.gz FQCOAYOKHOIRDJ-MGBKSAOESA-N 1 3 347.547 3.140 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001716048806 1420512462 /nfs/dbraw/zinc/51/24/62/1420512462.db2.gz FQCOAYOKHOIRDJ-MGBKSAOESA-N 1 3 347.547 3.140 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138532 1420538765 /nfs/dbraw/zinc/53/87/65/1420538765.db2.gz HGTLQLLDNPNQBF-MJGOQNOKSA-N 1 3 349.563 3.314 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001716452697 1420668373 /nfs/dbraw/zinc/66/83/73/1420668373.db2.gz NFYSPVBYYOYALV-ROUUACIJSA-N 1 3 347.547 3.437 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001716515310 1420745011 /nfs/dbraw/zinc/74/50/11/1420745011.db2.gz IOBXQDWAAYDVSE-ZWKOTPCHSA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001716519932 1420748561 /nfs/dbraw/zinc/74/85/61/1420748561.db2.gz IERSYLRPELXVAN-OALUTQOASA-N 1 3 337.552 3.172 10 0 EGAEHO CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269554 1429430916 /nfs/dbraw/zinc/43/09/16/1429430916.db2.gz PGHGLCVHBIYRMP-OALUTQOASA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001733269554 1429430919 /nfs/dbraw/zinc/43/09/19/1429430919.db2.gz PGHGLCVHBIYRMP-OALUTQOASA-N 1 3 337.552 3.221 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716651386 1420804806 /nfs/dbraw/zinc/80/48/06/1420804806.db2.gz SGUCERPPOAKRPA-QUOWSDGJSA-N 1 3 347.547 3.188 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716651386 1420804808 /nfs/dbraw/zinc/80/48/08/1420804808.db2.gz SGUCERPPOAKRPA-QUOWSDGJSA-N 1 3 347.547 3.188 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001716723327 1420881016 /nfs/dbraw/zinc/88/10/16/1420881016.db2.gz DSLXCDVVLTWHAR-FQEVSTJZSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001716723327 1420881017 /nfs/dbraw/zinc/88/10/17/1420881017.db2.gz DSLXCDVVLTWHAR-FQEVSTJZSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCN(C)CC(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1 ZINC001716799278 1420932113 /nfs/dbraw/zinc/93/21/13/1420932113.db2.gz BRFJHPDTBXNTSV-UHFFFAOYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001716887311 1421010929 /nfs/dbraw/zinc/01/09/29/1421010929.db2.gz IJRWBZLLAUTTEK-CNZFZVQHSA-N 1 3 337.552 3.147 10 0 EGAEHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001716999391 1421069083 /nfs/dbraw/zinc/06/90/83/1421069083.db2.gz CDHFHFKMSMOVGQ-ZESFDBNRSA-N 1 3 347.547 3.044 10 0 EGAEHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001716999391 1421069085 /nfs/dbraw/zinc/06/90/85/1421069085.db2.gz CDHFHFKMSMOVGQ-ZESFDBNRSA-N 1 3 347.547 3.044 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)C1 ZINC001717003447 1421072833 /nfs/dbraw/zinc/07/28/33/1421072833.db2.gz ZQNCIANLDYMDOT-IHPCNDPISA-N 1 3 349.563 3.031 10 0 EGAEHO CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041374 1421095317 /nfs/dbraw/zinc/09/53/17/1421095317.db2.gz FVOQSTPSUSTICM-PTWHKANQSA-N 1 3 347.547 3.138 10 0 EGAEHO CC/C=C\CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001717041374 1421095319 /nfs/dbraw/zinc/09/53/19/1421095319.db2.gz FVOQSTPSUSTICM-PTWHKANQSA-N 1 3 347.547 3.138 10 0 EGAEHO CCCCCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001717293708 1421239146 /nfs/dbraw/zinc/23/91/46/1421239146.db2.gz RFJLILOCQDLCSD-PXNSSMCTSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)c1ccccc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717473614 1421406672 /nfs/dbraw/zinc/40/66/72/1421406672.db2.gz URMVZELEAYGKMT-SQGPQFPESA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)c1ccccc1CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717473614 1421406674 /nfs/dbraw/zinc/40/66/74/1421406674.db2.gz URMVZELEAYGKMT-SQGPQFPESA-N 1 3 345.531 3.087 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC1CCCC1)N1CCCCCC1 ZINC001717491166 1421430367 /nfs/dbraw/zinc/43/03/67/1421430367.db2.gz VJSYZCVYUSCJTN-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCC1CCCC1)N1CCCCCC1 ZINC001717491166 1421430368 /nfs/dbraw/zinc/43/03/68/1421430368.db2.gz VJSYZCVYUSCJTN-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)CN1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733309628 1429493179 /nfs/dbraw/zinc/49/31/79/1429493179.db2.gz ZQFWUYGBBXNYSI-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CCC(CC)CN1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001733309628 1429493181 /nfs/dbraw/zinc/49/31/81/1429493181.db2.gz ZQFWUYGBBXNYSI-UHFFFAOYSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@@H+]([C@H](C)c2ccccc2C)CC1)N(C)C ZINC001718031284 1421783694 /nfs/dbraw/zinc/78/36/94/1421783694.db2.gz OOQNJPWCIVFKMZ-YLJYHZDGSA-N 1 3 343.515 3.145 10 0 EGAEHO CC[C@H](C(=O)NCC1=CC[N@H+]([C@H](C)c2ccccc2C)CC1)N(C)C ZINC001718031284 1421783695 /nfs/dbraw/zinc/78/36/95/1421783695.db2.gz OOQNJPWCIVFKMZ-YLJYHZDGSA-N 1 3 343.515 3.145 10 0 EGAEHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001733362526 1429547649 /nfs/dbraw/zinc/54/76/49/1429547649.db2.gz VKIKVICBZSSNEC-UHFFFAOYSA-N 1 3 349.563 3.268 10 0 EGAEHO CC1CCC(C[NH2+]C[C@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001733427175 1429634387 /nfs/dbraw/zinc/63/43/87/1429634387.db2.gz NLEZNBJCIIICDG-QLOJAFMTSA-N 1 3 349.563 3.125 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001722916724 1424254332 /nfs/dbraw/zinc/25/43/32/1424254332.db2.gz OBQGEIJFOBWZFS-CRAIPNDOSA-N 1 3 337.483 3.054 10 0 EGAEHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001722916724 1424254338 /nfs/dbraw/zinc/25/43/38/1424254338.db2.gz OBQGEIJFOBWZFS-CRAIPNDOSA-N 1 3 337.483 3.054 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC(C)(C)C)C3)CCC1 ZINC001733517159 1429726896 /nfs/dbraw/zinc/72/68/96/1429726896.db2.gz XSJUANLODIGEOQ-BZSNNMDCSA-N 1 3 349.563 3.266 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC(C)(C)C)C3)CCC1 ZINC001733517159 1429726899 /nfs/dbraw/zinc/72/68/99/1429726899.db2.gz XSJUANLODIGEOQ-BZSNNMDCSA-N 1 3 349.563 3.266 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001724125303 1424676410 /nfs/dbraw/zinc/67/64/10/1424676410.db2.gz CMLLDPJDOQEGBS-AHHPOWTJSA-N 1 3 349.563 3.388 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001724125303 1424676412 /nfs/dbraw/zinc/67/64/12/1424676412.db2.gz CMLLDPJDOQEGBS-AHHPOWTJSA-N 1 3 349.563 3.388 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001724154154 1424695872 /nfs/dbraw/zinc/69/58/72/1424695872.db2.gz MEMQZAREXTYXST-LGYYHMKYSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001724154154 1424695874 /nfs/dbraw/zinc/69/58/74/1424695874.db2.gz MEMQZAREXTYXST-LGYYHMKYSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001724657524 1425024364 /nfs/dbraw/zinc/02/43/64/1425024364.db2.gz ZEDCUYIIVVBVPD-CSSZIBPHSA-N 1 3 347.547 3.281 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001724657524 1425024371 /nfs/dbraw/zinc/02/43/71/1425024371.db2.gz ZEDCUYIIVVBVPD-CSSZIBPHSA-N 1 3 347.547 3.281 10 0 EGAEHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001724727942 1425080294 /nfs/dbraw/zinc/08/02/94/1425080294.db2.gz JWAXXTFPVSOUEJ-FQEVSTJZSA-N 1 3 349.563 3.127 10 0 EGAEHO CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001724891128 1425278258 /nfs/dbraw/zinc/27/82/58/1425278258.db2.gz LBVNMSGKGGOESR-UHFFFAOYSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001724895609 1425286521 /nfs/dbraw/zinc/28/65/21/1425286521.db2.gz NPQMKCUICGNYFX-FPOVZHCZSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001724895609 1425286524 /nfs/dbraw/zinc/28/65/24/1425286524.db2.gz NPQMKCUICGNYFX-FPOVZHCZSA-N 1 3 349.563 3.364 10 0 EGAEHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001725097041 1425541307 /nfs/dbraw/zinc/54/13/07/1425541307.db2.gz UDRVRKDGVOHKQP-QZTJIDSGSA-N 1 3 345.531 3.242 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001725132979 1425604136 /nfs/dbraw/zinc/60/41/36/1425604136.db2.gz XMGHAXUVQYVEJP-SJORKVTESA-N 1 3 339.483 3.045 10 0 EGAEHO C[C@H](C(=O)NC1(C[NH2+]CCCF)CCCCC1)N1CCCCCC1 ZINC001725229141 1425800043 /nfs/dbraw/zinc/80/00/43/1425800043.db2.gz MKYWMWRUVKILFX-QGZVFWFLSA-N 1 3 341.515 3.019 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247377 1425866354 /nfs/dbraw/zinc/86/63/54/1425866354.db2.gz IMUFGYQUHDZQRW-SJLPKXTDSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680141 1426367873 /nfs/dbraw/zinc/36/78/73/1426367873.db2.gz MLRPUFSBOLIWIJ-CRAIPNDOSA-N 1 3 349.494 3.055 10 0 EGAEHO CC1CCC(C[N@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001731267922 1427215769 /nfs/dbraw/zinc/21/57/69/1427215769.db2.gz LLZDLMJDEAMZIT-UHFFFAOYSA-N 1 3 339.568 3.229 10 0 EGAEHO CC1CCC(C[N@@H+](C)CCCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001731267922 1427215775 /nfs/dbraw/zinc/21/57/75/1427215775.db2.gz LLZDLMJDEAMZIT-UHFFFAOYSA-N 1 3 339.568 3.229 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(Cc1ccsc1)C1CC1 ZINC001731333148 1427271625 /nfs/dbraw/zinc/27/16/25/1427271625.db2.gz GRPIRECGQYDNLE-SFHVURJKSA-N 1 3 349.544 3.092 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN(Cc1ccsc1)C1CC1 ZINC001731333148 1427271627 /nfs/dbraw/zinc/27/16/27/1427271627.db2.gz GRPIRECGQYDNLE-SFHVURJKSA-N 1 3 349.544 3.092 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503499 1427486390 /nfs/dbraw/zinc/48/63/90/1427486390.db2.gz MIXWVDAWFBKNHD-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001731503499 1427486392 /nfs/dbraw/zinc/48/63/92/1427486392.db2.gz MIXWVDAWFBKNHD-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001731720057 1427788403 /nfs/dbraw/zinc/78/84/03/1427788403.db2.gz NXHSOKJHQIPNNF-LJQANCHMSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001731720057 1427788411 /nfs/dbraw/zinc/78/84/11/1427788411.db2.gz NXHSOKJHQIPNNF-LJQANCHMSA-N 1 3 335.536 3.140 10 0 EGAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001731739944 1427826469 /nfs/dbraw/zinc/82/64/69/1427826469.db2.gz KMUNHTREGSABBE-CABCVRRESA-N 1 3 339.911 3.226 10 0 EGAEHO CC(C)=CCN(CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001731877344 1428142090 /nfs/dbraw/zinc/14/20/90/1428142090.db2.gz RVKRFADZCPMMSP-GOSISDBHSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)=CCN(CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001731877344 1428142091 /nfs/dbraw/zinc/14/20/91/1428142091.db2.gz RVKRFADZCPMMSP-GOSISDBHSA-N 1 3 347.547 3.188 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)CN2CCCC2)c1 ZINC001733780649 1430043107 /nfs/dbraw/zinc/04/31/07/1430043107.db2.gz LRSJMOMERUXIKN-LJQANCHMSA-N 1 3 345.531 3.241 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)c1 ZINC001733780649 1430043111 /nfs/dbraw/zinc/04/31/11/1430043111.db2.gz LRSJMOMERUXIKN-LJQANCHMSA-N 1 3 345.531 3.241 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006574 1437798397 /nfs/dbraw/zinc/79/83/97/1437798397.db2.gz PYXGNZZFICUOLO-IRXDYDNUSA-N 1 3 347.547 3.307 10 0 EGAEHO CCc1ccc(C[N@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001734273123 1438005115 /nfs/dbraw/zinc/00/51/15/1438005115.db2.gz CFNLIICKCYQVJV-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO CCc1ccc(C[N@@H+](C)C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001734273123 1438005116 /nfs/dbraw/zinc/00/51/16/1438005116.db2.gz CFNLIICKCYQVJV-UHFFFAOYSA-N 1 3 345.531 3.012 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC1(C)C ZINC001734499366 1438133964 /nfs/dbraw/zinc/13/39/64/1438133964.db2.gz COCQARKMLPXUSN-QGZVFWFLSA-N 1 3 339.568 3.371 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1)N(C)C ZINC001734577650 1438170426 /nfs/dbraw/zinc/17/04/26/1438170426.db2.gz KIFNZUJPWMXXDP-SJLPKXTDSA-N 1 3 339.568 3.370 10 0 EGAEHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCCC2CCC2)CC1)N(C)C ZINC001734583933 1438174757 /nfs/dbraw/zinc/17/47/57/1438174757.db2.gz IBERAOBOWNWBDX-QFBILLFUSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377724027 169069057 /nfs/dbraw/zinc/06/90/57/169069057.db2.gz OBSXIIIFZWUSKT-QGZVFWFLSA-N 1 3 326.488 3.015 10 0 EGAEHO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377724027 169069060 /nfs/dbraw/zinc/06/90/60/169069060.db2.gz OBSXIIIFZWUSKT-QGZVFWFLSA-N 1 3 326.488 3.015 10 0 EGAEHO CO[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000188309480 286073456 /nfs/dbraw/zinc/07/34/56/286073456.db2.gz IHKBPJMWKWQVDX-UWJYYQICSA-N 1 3 345.531 3.074 10 0 EGAEHO CCN(CCn1ccnc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000346277999 164364225 /nfs/dbraw/zinc/36/42/25/164364225.db2.gz NSZLWXJKWURKNA-FXAWDEMLSA-N 1 3 326.488 3.349 10 0 EGAEHO CCN(CCn1ccnc1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000346277999 164364228 /nfs/dbraw/zinc/36/42/28/164364228.db2.gz NSZLWXJKWURKNA-FXAWDEMLSA-N 1 3 326.488 3.349 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@@H]1C ZINC000351645105 165113145 /nfs/dbraw/zinc/11/31/45/165113145.db2.gz VBTFLADUAMDYMS-WMZOPIPTSA-N 1 3 326.488 3.392 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2-c2ccnn2C)C[C@@H]1C ZINC000351645105 165113148 /nfs/dbraw/zinc/11/31/48/165113148.db2.gz VBTFLADUAMDYMS-WMZOPIPTSA-N 1 3 326.488 3.392 10 0 EGAEHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367585589 168245250 /nfs/dbraw/zinc/24/52/50/168245250.db2.gz DQSQSESIQPPARG-QYZOEREBSA-N 1 3 328.504 3.034 10 0 EGAEHO C[N@H+]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367585589 168245252 /nfs/dbraw/zinc/24/52/52/168245252.db2.gz DQSQSESIQPPARG-QYZOEREBSA-N 1 3 328.504 3.034 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367585589 168245253 /nfs/dbraw/zinc/24/52/53/168245253.db2.gz DQSQSESIQPPARG-QYZOEREBSA-N 1 3 328.504 3.034 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367599186 168247204 /nfs/dbraw/zinc/24/72/04/168247204.db2.gz GXLTWDYYSHGYOR-QGTPRVQTSA-N 1 3 349.906 3.439 10 0 EGAEHO Cc1c(Cl)cccc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367599186 168247205 /nfs/dbraw/zinc/24/72/05/168247205.db2.gz GXLTWDYYSHGYOR-QGTPRVQTSA-N 1 3 349.906 3.439 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000677854748 549343646 /nfs/dbraw/zinc/34/36/46/549343646.db2.gz ZGWZTJHAZCGBIM-MJGOQNOKSA-N 1 3 334.504 3.310 10 0 EGAEHO C[C@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000123452948 222279904 /nfs/dbraw/zinc/27/99/04/222279904.db2.gz IDFCSUIWQLAFCQ-LSDHHAIUSA-N 1 3 343.471 3.049 10 0 EGAEHO C[C@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000123452948 222279906 /nfs/dbraw/zinc/27/99/06/222279906.db2.gz IDFCSUIWQLAFCQ-LSDHHAIUSA-N 1 3 343.471 3.049 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000123584979 222300883 /nfs/dbraw/zinc/30/08/83/222300883.db2.gz JVIPZSHWQYRNLS-WBVHZDCISA-N 1 3 328.460 3.084 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)CCCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123584979 222300885 /nfs/dbraw/zinc/30/08/85/222300885.db2.gz JVIPZSHWQYRNLS-WBVHZDCISA-N 1 3 328.460 3.084 10 0 EGAEHO COc1cccc([C@H](C)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000175785708 265137934 /nfs/dbraw/zinc/13/79/34/265137934.db2.gz DKYJQSXEFOSAAH-KRWDZBQOSA-N 1 3 332.488 3.333 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274887439 267302025 /nfs/dbraw/zinc/30/20/25/267302025.db2.gz ITVPVURZZWAVMP-VQIMIIECSA-N 1 3 342.458 3.318 10 0 EGAEHO CC[NH+]1CCC(CCNCc2ccnn2-c2ccccc2OC)CC1 ZINC000281369845 275544021 /nfs/dbraw/zinc/54/40/21/275544021.db2.gz GCIWJZWBTIFNEH-UHFFFAOYSA-N 1 3 342.487 3.093 10 0 EGAEHO Cc1ccc2nccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000354577739 281170340 /nfs/dbraw/zinc/17/03/40/281170340.db2.gz XYYGBTBDEXLDHV-XLIONFOSSA-N 1 3 338.499 3.005 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200481 309066618 /nfs/dbraw/zinc/06/66/18/309066618.db2.gz XWQFULUZPHVDEK-HUUCEWRRSA-N 1 3 347.894 3.303 10 0 EGAEHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200481 309066619 /nfs/dbraw/zinc/06/66/19/309066619.db2.gz XWQFULUZPHVDEK-HUUCEWRRSA-N 1 3 347.894 3.303 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000249627070 308026957 /nfs/dbraw/zinc/02/69/57/308026957.db2.gz QBBJLDWBEZKANO-UKRRQHHQSA-N 1 3 325.294 3.312 10 0 EGAEHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897210 308763220 /nfs/dbraw/zinc/76/32/20/308763220.db2.gz LYSAQKNVCAZMLX-IAGOWNOFSA-N 1 3 339.524 3.098 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414945478 309110525 /nfs/dbraw/zinc/11/05/25/309110525.db2.gz RRSVUCBKYVMAFX-FIXISWKDSA-N 1 3 329.257 3.107 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1F)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945478 309110526 /nfs/dbraw/zinc/11/05/26/309110526.db2.gz RRSVUCBKYVMAFX-FIXISWKDSA-N 1 3 329.257 3.107 10 0 EGAEHO COc1c(C)cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415129546 309122613 /nfs/dbraw/zinc/12/26/13/309122613.db2.gz UXVBGAYGAHWCSV-RBUKOAKNSA-N 1 3 332.488 3.030 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000415896213 309146517 /nfs/dbraw/zinc/14/65/17/309146517.db2.gz CYFUSJQAUJJLOJ-MRXNPFEDSA-N 1 3 332.492 3.040 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000415896213 309146518 /nfs/dbraw/zinc/14/65/18/309146518.db2.gz CYFUSJQAUJJLOJ-MRXNPFEDSA-N 1 3 332.492 3.040 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415988492 309153237 /nfs/dbraw/zinc/15/32/37/309153237.db2.gz CXARDEQSGWEGFL-IYBDPMFKSA-N 1 3 344.503 3.169 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000415988492 309153238 /nfs/dbraw/zinc/15/32/38/309153238.db2.gz CXARDEQSGWEGFL-IYBDPMFKSA-N 1 3 344.503 3.169 10 0 EGAEHO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416009704 309154437 /nfs/dbraw/zinc/15/44/37/309154437.db2.gz NRIWHVWUWADOKS-UHFFFAOYSA-N 1 3 330.476 3.020 10 0 EGAEHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000421388576 309322239 /nfs/dbraw/zinc/32/22/39/309322239.db2.gz QARWPNJISSNSCC-UYAOXDASSA-N 1 3 345.531 3.264 10 0 EGAEHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720651 309364948 /nfs/dbraw/zinc/36/49/48/309364948.db2.gz ZYOFNIMKKZHTEM-UONOGXRCSA-N 1 3 343.437 3.385 10 0 EGAEHO COc1ccccc1O[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422779953 309367911 /nfs/dbraw/zinc/36/79/11/309367911.db2.gz CLKVJLHIRLSYPS-ZJPYXAASSA-N 1 3 332.488 3.363 10 0 EGAEHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000422840961 309371316 /nfs/dbraw/zinc/37/13/16/309371316.db2.gz CKOVFKQBUGTZIG-PMPSAXMXSA-N 1 3 325.859 3.085 10 0 EGAEHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096996 309385676 /nfs/dbraw/zinc/38/56/76/309385676.db2.gz QFVWYJNRBSQCSG-RXABAKJHSA-N 1 3 334.891 3.333 10 0 EGAEHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487242 309402479 /nfs/dbraw/zinc/40/24/79/309402479.db2.gz TZBREYNNDFUFEU-UONOGXRCSA-N 1 3 333.867 3.104 10 0 EGAEHO CC(C)(CC1CCCCCC1)[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000444806275 309931045 /nfs/dbraw/zinc/93/10/45/309931045.db2.gz XBALOEOOHSZVMH-UHFFFAOYSA-N 1 3 349.563 3.458 10 0 EGAEHO CC[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccncc1 ZINC000453121153 310259340 /nfs/dbraw/zinc/25/93/40/310259340.db2.gz OVBHVRQGXXKTER-LJQANCHMSA-N 1 3 330.520 3.073 10 0 EGAEHO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000456196784 310392998 /nfs/dbraw/zinc/39/29/98/310392998.db2.gz IDUJPIOINRBGEL-UHFFFAOYSA-N 1 3 331.504 3.133 10 0 EGAEHO COc1cccc(C[C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459406850 310550385 /nfs/dbraw/zinc/55/03/85/310550385.db2.gz HAPYAOWOSFDCJH-MRXNPFEDSA-N 1 3 325.456 3.280 10 0 EGAEHO COc1ccccc1/C=C\C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000525484640 312728396 /nfs/dbraw/zinc/72/83/96/312728396.db2.gz HCGODQIGMSFPNM-YKMZWVQYSA-N 1 3 332.488 3.187 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@H]2OC)CC1 ZINC000538125545 314228298 /nfs/dbraw/zinc/22/82/98/314228298.db2.gz XFEUEOLKNLMYHT-TZIWHRDSSA-N 1 3 345.531 3.123 10 0 EGAEHO CN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000548392270 315003380 /nfs/dbraw/zinc/00/33/80/315003380.db2.gz OMEBRZBZCUOSHG-PZJWPPBQSA-N 1 3 343.515 3.203 10 0 EGAEHO CN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1c1ccccc1 ZINC000548392270 315003383 /nfs/dbraw/zinc/00/33/83/315003383.db2.gz OMEBRZBZCUOSHG-PZJWPPBQSA-N 1 3 343.515 3.203 10 0 EGAEHO CC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000549876656 315108429 /nfs/dbraw/zinc/10/84/29/315108429.db2.gz QVLKQBXDURSCKZ-LJQANCHMSA-N 1 3 328.500 3.305 10 0 EGAEHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000552062016 315194267 /nfs/dbraw/zinc/19/42/67/315194267.db2.gz IKLNNUFAJGMWNZ-WOJBJXKFSA-N 1 3 343.515 3.036 10 0 EGAEHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000552899100 315237066 /nfs/dbraw/zinc/23/70/66/315237066.db2.gz LPVBNOHUJIXQIB-BZSNNMDCSA-N 1 3 334.504 3.105 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000565719485 316361113 /nfs/dbraw/zinc/36/11/13/316361113.db2.gz XPUPMFVQEIOEGR-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000565719485 316361115 /nfs/dbraw/zinc/36/11/15/316361115.db2.gz XPUPMFVQEIOEGR-IEBWSBKVSA-N 1 3 349.563 3.268 10 0 EGAEHO CN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572378351 317331553 /nfs/dbraw/zinc/33/15/53/317331553.db2.gz ACTFLRVGWNNHTI-RMHZUWNSSA-N 1 3 325.859 3.084 10 0 EGAEHO C[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(F)cc1 ZINC000579647358 325138376 /nfs/dbraw/zinc/13/83/76/325138376.db2.gz LKELZTCTQUHKAA-ZEDDUWKQSA-N 1 3 345.506 3.172 10 0 EGAEHO C[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccc(F)cc1 ZINC000579647358 325138382 /nfs/dbraw/zinc/13/83/82/325138382.db2.gz LKELZTCTQUHKAA-ZEDDUWKQSA-N 1 3 345.506 3.172 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CN1C1CC1 ZINC000245679776 455353812 /nfs/dbraw/zinc/35/38/12/455353812.db2.gz IQBNEOWUVRWBKG-NLXHMFRLSA-N 1 3 339.527 3.397 10 0 EGAEHO CC1CC[NH+](Cc2ccc(C(=O)NCCN3CCCCC3)cc2)CC1 ZINC000034682399 453920362 /nfs/dbraw/zinc/92/03/62/453920362.db2.gz JJDIUPVPXUJIQV-UHFFFAOYSA-N 1 3 343.515 3.134 10 0 EGAEHO C[C@H]1CC[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076148996 453971574 /nfs/dbraw/zinc/97/15/74/453971574.db2.gz RFFPGVHNTJYSSO-ROUUACIJSA-N 1 3 343.515 3.019 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]C2CCSCC2)CC1 ZINC000088714622 454116976 /nfs/dbraw/zinc/11/69/76/454116976.db2.gz LZIOJSRMQGARSL-UHFFFAOYSA-N 1 3 333.545 3.204 10 0 EGAEHO CC1(C[NH2+]CC2CCN(Cc3ccccc3F)CC2)CCOCC1 ZINC000095939217 454233641 /nfs/dbraw/zinc/23/36/41/454233641.db2.gz QRKDXHXLANTKAW-UHFFFAOYSA-N 1 3 334.479 3.444 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000246159487 455439167 /nfs/dbraw/zinc/43/91/67/455439167.db2.gz WZWYXGRDJBJCJA-XYPHTWIQSA-N 1 3 344.421 3.023 10 0 EGAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000246159487 455439171 /nfs/dbraw/zinc/43/91/71/455439171.db2.gz WZWYXGRDJBJCJA-XYPHTWIQSA-N 1 3 344.421 3.023 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132574107 454350290 /nfs/dbraw/zinc/35/02/90/454350290.db2.gz ZMTQVNWWEDRLAT-SWLSCSKDSA-N 1 3 327.394 3.409 10 0 EGAEHO CCOc1ccc(OCCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970536 454426380 /nfs/dbraw/zinc/42/63/80/454426380.db2.gz DJHXMNSXFCOUIL-UHFFFAOYSA-N 1 3 332.488 3.272 10 0 EGAEHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000123127109 454605851 /nfs/dbraw/zinc/60/58/51/454605851.db2.gz GBELUUYWXJZPFY-JKSUJKDBSA-N 1 3 341.499 3.355 10 0 EGAEHO CC(C)OCCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915645 454668849 /nfs/dbraw/zinc/66/88/49/454668849.db2.gz LGAVIQMBTAZWHE-NRFANRHFSA-N 1 3 348.531 3.179 10 0 EGAEHO CC(C)OCCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915645 454668856 /nfs/dbraw/zinc/66/88/56/454668856.db2.gz LGAVIQMBTAZWHE-NRFANRHFSA-N 1 3 348.531 3.179 10 0 EGAEHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000125796538 454848270 /nfs/dbraw/zinc/84/82/70/454848270.db2.gz HONZRWZYMGTZSC-NRFANRHFSA-N 1 3 343.559 3.404 10 0 EGAEHO c1ccc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)nc1 ZINC000156214601 455094103 /nfs/dbraw/zinc/09/41/03/455094103.db2.gz KXVGLKGDIIOEOY-UHFFFAOYSA-N 1 3 342.531 3.437 10 0 EGAEHO c1ccc(N2CCC(NC3CC[NH+](C4CCCCC4)CC3)CC2)nc1 ZINC000156214601 455094105 /nfs/dbraw/zinc/09/41/05/455094105.db2.gz KXVGLKGDIIOEOY-UHFFFAOYSA-N 1 3 342.531 3.437 10 0 EGAEHO CN1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245764154 455375797 /nfs/dbraw/zinc/37/57/97/455375797.db2.gz WASIGCXEHVAHAI-NCYKPQTJSA-N 1 3 327.516 3.113 10 0 EGAEHO Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)o1 ZINC000272409278 455941731 /nfs/dbraw/zinc/94/17/31/455941731.db2.gz KVQWULSOQVZSKC-YRPNKDGESA-N 1 3 340.467 3.407 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC2(O)CCCCC2)CC1 ZINC000236799224 456185769 /nfs/dbraw/zinc/18/57/69/456185769.db2.gz DAXUPEGXOOMXDL-UHFFFAOYSA-N 1 3 345.531 3.003 10 0 EGAEHO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297555703 456251109 /nfs/dbraw/zinc/25/11/09/456251109.db2.gz GWCBMPUNWCYBAU-SFHVURJKSA-N 1 3 338.499 3.161 10 0 EGAEHO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000352832215 456345593 /nfs/dbraw/zinc/34/55/93/456345593.db2.gz FESWRPDZCRLHBL-CDXJDZJCSA-N 1 3 328.500 3.335 10 0 EGAEHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000337384394 456350876 /nfs/dbraw/zinc/35/08/76/456350876.db2.gz KKDVTJQALGKERE-NRSPTQNISA-N 1 3 346.515 3.312 10 0 EGAEHO C[C@@H](NC(C)(C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071395 456471964 /nfs/dbraw/zinc/47/19/64/456471964.db2.gz FDOCNLSOLXXIMN-MJGOQNOKSA-N 1 3 345.531 3.497 10 0 EGAEHO C[C@@H](NC(C)(C)CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000353071395 456471967 /nfs/dbraw/zinc/47/19/67/456471967.db2.gz FDOCNLSOLXXIMN-MJGOQNOKSA-N 1 3 345.531 3.497 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H]2CCC[C@H]21 ZINC000340467739 456477943 /nfs/dbraw/zinc/47/79/43/456477943.db2.gz TXPLVKKMVIQNCL-OWCLPIDISA-N 1 3 327.394 3.105 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2cc(C(F)(F)F)ccn2)[C@H]2CCC[C@H]21 ZINC000340467739 456477944 /nfs/dbraw/zinc/47/79/44/456477944.db2.gz TXPLVKKMVIQNCL-OWCLPIDISA-N 1 3 327.394 3.105 10 0 EGAEHO CC[C@@H](Cn1cncn1)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000340472684 456481129 /nfs/dbraw/zinc/48/11/29/456481129.db2.gz KFPJOZQHUQWZKW-FQEVSTJZSA-N 1 3 341.503 3.078 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353522903 456733875 /nfs/dbraw/zinc/73/38/75/456733875.db2.gz SPFLJWJTTJKGQF-QXAKKESOSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353522903 456733878 /nfs/dbraw/zinc/73/38/78/456733878.db2.gz SPFLJWJTTJKGQF-QXAKKESOSA-N 1 3 342.462 3.282 10 0 EGAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1F ZINC000353522903 456733883 /nfs/dbraw/zinc/73/38/83/456733883.db2.gz SPFLJWJTTJKGQF-QXAKKESOSA-N 1 3 342.462 3.282 10 0 EGAEHO CCc1cccc(F)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000353620191 456809368 /nfs/dbraw/zinc/80/93/68/456809368.db2.gz WZWLWOMNMNBYBN-UHFFFAOYSA-N 1 3 334.479 3.465 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@@H]21 ZINC000353633652 456816885 /nfs/dbraw/zinc/81/68/85/456816885.db2.gz SZEZYTQYQAZBGK-RYRKJORJSA-N 1 3 342.512 3.210 10 0 EGAEHO C[N@H+]1CC[C@H](NCCc2nc(-c3ccncc3)cs2)[C@H]2CCC[C@@H]21 ZINC000353633652 456816889 /nfs/dbraw/zinc/81/68/89/456816889.db2.gz SZEZYTQYQAZBGK-RYRKJORJSA-N 1 3 342.512 3.210 10 0 EGAEHO Cc1sccc1C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397665331 457490508 /nfs/dbraw/zinc/49/05/08/457490508.db2.gz FSITYRPAIDGOAY-UHFFFAOYSA-N 1 3 330.497 3.173 10 0 EGAEHO C[C@@H]1CCCN(CCCc2nc(-c3cccs3)no2)[C@@H]1CC[NH3+] ZINC000404440996 457544697 /nfs/dbraw/zinc/54/46/97/457544697.db2.gz URYSSDKSTNDVSL-ZIAGYGMSSA-N 1 3 334.489 3.180 10 0 EGAEHO C[C@@H](Cc1ccccc1)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375405990 457919103 /nfs/dbraw/zinc/91/91/03/457919103.db2.gz URVPOOFVTZRXFS-FQEVSTJZSA-N 1 3 343.559 3.215 10 0 EGAEHO C[C@H](N[C@@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000361887058 457930935 /nfs/dbraw/zinc/93/09/35/457930935.db2.gz BSQSZEHQSOAOKD-UWJYYQICSA-N 1 3 342.483 3.401 10 0 EGAEHO CC(C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000434183060 457956917 /nfs/dbraw/zinc/95/69/17/457956917.db2.gz YTWZJFHXFZTKJB-ZDUSSCGKSA-N 1 3 344.377 3.322 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000358555409 458073933 /nfs/dbraw/zinc/07/39/33/458073933.db2.gz AEOZPMFTVMAZMT-NJDAHSKKSA-N 1 3 342.527 3.429 10 0 EGAEHO CN(C)CCOCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000447599947 458318888 /nfs/dbraw/zinc/31/88/88/458318888.db2.gz KZRKZFKSQQYDFF-INIZCTEOSA-N 1 3 341.293 3.068 10 0 EGAEHO COc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000459746970 458467696 /nfs/dbraw/zinc/46/76/96/458467696.db2.gz ZIYMFDPSIWEDMV-GDBMZVCRSA-N 1 3 333.476 3.036 10 0 EGAEHO COc1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1NC(C)=O ZINC000459746970 458467701 /nfs/dbraw/zinc/46/77/01/458467701.db2.gz ZIYMFDPSIWEDMV-GDBMZVCRSA-N 1 3 333.476 3.036 10 0 EGAEHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000431572598 458590321 /nfs/dbraw/zinc/59/03/21/458590321.db2.gz XECZKFMBRLBSQH-IAGOWNOFSA-N 1 3 349.544 3.266 10 0 EGAEHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000431572598 458590328 /nfs/dbraw/zinc/59/03/28/458590328.db2.gz XECZKFMBRLBSQH-IAGOWNOFSA-N 1 3 349.544 3.266 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000464058940 458729698 /nfs/dbraw/zinc/72/96/98/458729698.db2.gz MMUIZNUTWCZENI-YSIASYRMSA-N 1 3 346.515 3.312 10 0 EGAEHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533410 458875761 /nfs/dbraw/zinc/87/57/61/458875761.db2.gz YVYPGTDXDAUISB-UYAOXDASSA-N 1 3 327.516 3.115 10 0 EGAEHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000556920977 459032449 /nfs/dbraw/zinc/03/24/49/459032449.db2.gz RNXIUZQYFBQDPQ-JBACZVJFSA-N 1 3 329.532 3.361 10 0 EGAEHO CC[C@H]1CC[C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000522013087 459204683 /nfs/dbraw/zinc/20/46/83/459204683.db2.gz CPGJHMGZSLZHDU-UAPYVXQJSA-N 1 3 349.563 3.268 10 0 EGAEHO CSCC1CCC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000595067584 459234822 /nfs/dbraw/zinc/23/48/22/459234822.db2.gz GEKOZHUJHJMTMU-SOAGJPPSSA-N 1 3 348.556 3.265 10 0 EGAEHO CN1CCN(CC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1(C)C ZINC000568819272 459348157 /nfs/dbraw/zinc/34/81/57/459348157.db2.gz JTUBILXEMVODMB-UHFFFAOYSA-N 1 3 331.548 3.142 10 0 EGAEHO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000560540405 459369325 /nfs/dbraw/zinc/36/93/25/459369325.db2.gz WHVMOTIXQDNNKH-ZCNNSNEGSA-N 1 3 346.515 3.373 10 0 EGAEHO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000524620183 459376139 /nfs/dbraw/zinc/37/61/39/459376139.db2.gz YLZGWDQBSGOJFZ-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)NC1CCN(C2CC2)CC1 ZINC000524620183 459376145 /nfs/dbraw/zinc/37/61/45/459376145.db2.gz YLZGWDQBSGOJFZ-LJQANCHMSA-N 1 3 335.536 3.020 10 0 EGAEHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000582904331 459449572 /nfs/dbraw/zinc/44/95/72/459449572.db2.gz MVGVHOWXXICTJI-LJQANCHMSA-N 1 3 329.532 3.361 10 0 EGAEHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000562986565 459687392 /nfs/dbraw/zinc/68/73/92/459687392.db2.gz MMVMYYWKSBBFBF-IBGZPJMESA-N 1 3 348.531 3.260 10 0 EGAEHO CCC[NH+]1CCC(CNCc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000596675057 459724030 /nfs/dbraw/zinc/72/40/30/459724030.db2.gz PCQXDMIGKSQKRT-HNNXBMFYSA-N 1 3 332.488 3.230 10 0 EGAEHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011719 459796116 /nfs/dbraw/zinc/79/61/16/459796116.db2.gz IXJFMBOBIQRGFF-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011719 459796120 /nfs/dbraw/zinc/79/61/20/459796120.db2.gz IXJFMBOBIQRGFF-HKUYNNGSSA-N 1 3 349.563 3.268 10 0 EGAEHO COC(=O)c1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1Cl ZINC000597082675 459833242 /nfs/dbraw/zinc/83/32/42/459833242.db2.gz GXQNZTWOTBRAQD-UHFFFAOYSA-N 1 3 338.879 3.338 10 0 EGAEHO CN1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC1(C)C ZINC000623347348 460500583 /nfs/dbraw/zinc/50/05/83/460500583.db2.gz ZBKDZXFDWZNFEJ-IBGZPJMESA-N 1 3 329.532 3.286 10 0 EGAEHO C[N@@H+]1CC[C@H](NCC(C)(C)N2CCc3ccccc3C2)CC1(C)C ZINC000623347348 460500588 /nfs/dbraw/zinc/50/05/88/460500588.db2.gz ZBKDZXFDWZNFEJ-IBGZPJMESA-N 1 3 329.532 3.286 10 0 EGAEHO C[N@H+]1CC[C@H](NCC(C)(C)N2CCc3ccccc3C2)CC1(C)C ZINC000623347348 460500595 /nfs/dbraw/zinc/50/05/95/460500595.db2.gz ZBKDZXFDWZNFEJ-IBGZPJMESA-N 1 3 329.532 3.286 10 0 EGAEHO C/C=C\COc1ccc(CC[C@H](C)NCC2([NH3+])CCOCC2)cc1 ZINC000629521417 460794304 /nfs/dbraw/zinc/79/43/04/460794304.db2.gz PFFKKLFGZFUWFU-LIMHQNJXSA-N 1 3 332.488 3.060 10 0 EGAEHO C[NH2+]CCOCCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000629528823 460797254 /nfs/dbraw/zinc/79/72/54/460797254.db2.gz KKBBHKOCTABIAN-ZDUSSCGKSA-N 1 3 349.500 3.014 10 0 EGAEHO Fc1c(Br)ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000629532391 460797961 /nfs/dbraw/zinc/79/79/61/460797961.db2.gz YPYHLTXJUBADRQ-ADEWGFFLSA-N 1 3 345.231 3.205 10 0 EGAEHO Cc1ccc(SCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000629590536 460817627 /nfs/dbraw/zinc/81/76/27/460817627.db2.gz NLPMFKLXJXFCTB-LJQANCHMSA-N 1 3 348.556 3.486 10 0 EGAEHO Cc1ccc([C@@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000628279935 461070201 /nfs/dbraw/zinc/07/02/01/461070201.db2.gz IHLHUKUTOVVBTL-WTBLGDFPSA-N 1 3 341.543 3.341 10 0 EGAEHO Cc1ccc([C@@H](C)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000628279935 461070204 /nfs/dbraw/zinc/07/02/04/461070204.db2.gz IHLHUKUTOVVBTL-WTBLGDFPSA-N 1 3 341.543 3.341 10 0 EGAEHO c1ccc([C@@H]2C[N@@H+](C[C@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249273 461141988 /nfs/dbraw/zinc/14/19/88/461141988.db2.gz RXKBRGKDTSZVLB-CTNGQTDRSA-N 1 3 334.463 3.155 10 0 EGAEHO c1ccc([C@@H]2C[N@H+](C[C@H]3CCC4(CNC4)O3)Cc3ccccc32)cc1 ZINC000662249273 461141990 /nfs/dbraw/zinc/14/19/90/461141990.db2.gz RXKBRGKDTSZVLB-CTNGQTDRSA-N 1 3 334.463 3.155 10 0 EGAEHO Clc1ccc(CC[N@H+](CC2CC2)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662254102 461145230 /nfs/dbraw/zinc/14/52/30/461145230.db2.gz FKNKHMRQVUCJGJ-GOSISDBHSA-N 1 3 334.891 3.116 10 0 EGAEHO Clc1ccc(CC[N@@H+](CC2CC2)C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662254102 461145237 /nfs/dbraw/zinc/14/52/37/461145237.db2.gz FKNKHMRQVUCJGJ-GOSISDBHSA-N 1 3 334.891 3.116 10 0 EGAEHO Cc1cccc(C)c1OCCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363787 461157508 /nfs/dbraw/zinc/15/75/08/461157508.db2.gz NLEOOFIYVOJKFB-OTWHNJEPSA-N 1 3 332.488 3.043 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662387996 461228595 /nfs/dbraw/zinc/22/85/95/461228595.db2.gz YFRQQLVRUPWHEJ-QKLQHJQFSA-N 1 3 343.515 3.095 10 0 EGAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662387996 461228604 /nfs/dbraw/zinc/22/86/04/461228604.db2.gz YFRQQLVRUPWHEJ-QKLQHJQFSA-N 1 3 343.515 3.095 10 0 EGAEHO CC(C)[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292440 461278709 /nfs/dbraw/zinc/27/87/09/461278709.db2.gz PLKCYFCXMZKIFN-PMACEKPBSA-N 1 3 343.515 3.094 10 0 EGAEHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CS1 ZINC000655719656 461389737 /nfs/dbraw/zinc/38/97/37/461389737.db2.gz USUUXQCUTMPQLD-CRAIPNDOSA-N 1 3 334.529 3.017 10 0 EGAEHO CO[C@H](C[N@H+](C)CCC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000660165824 461617768 /nfs/dbraw/zinc/61/77/68/461617768.db2.gz HRCPEVBPWCLSOB-HXUWFJFHSA-N 1 3 331.504 3.435 10 0 EGAEHO CO[C@H](C[N@@H+](C)CCC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000660165824 461617777 /nfs/dbraw/zinc/61/77/77/461617777.db2.gz HRCPEVBPWCLSOB-HXUWFJFHSA-N 1 3 331.504 3.435 10 0 EGAEHO COc1cccc(-c2n[nH]cc2CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000666755332 461791235 /nfs/dbraw/zinc/79/12/35/461791235.db2.gz PZSAYCHBDRPUAU-AWEZNQCLSA-N 1 3 336.439 3.395 10 0 EGAEHO [NH3+]CC1(CCNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000650713218 461907260 /nfs/dbraw/zinc/90/72/60/461907260.db2.gz KCNNFFLLRSXNFD-INIZCTEOSA-N 1 3 338.879 3.116 10 0 EGAEHO C[NH2+]Cc1ccccc1CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000650718455 461909770 /nfs/dbraw/zinc/90/97/70/461909770.db2.gz NFXASMJOJFJRPN-UHFFFAOYSA-N 1 3 332.831 3.120 10 0 EGAEHO COc1ccc([C@@H](C)NCCC2(C[NH3+])CC2)c(Br)c1 ZINC000650745563 461929084 /nfs/dbraw/zinc/92/90/84/461929084.db2.gz JPSCDBWUKBJQCH-LLVKDONJSA-N 1 3 327.266 3.237 10 0 EGAEHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cc[nH]c(=O)c1 ZINC000639579010 462000168 /nfs/dbraw/zinc/00/01/68/462000168.db2.gz AJYHDFUVBPJBOL-HZPDHXFCSA-N 1 3 325.456 3.033 10 0 EGAEHO CCCc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593898 462194579 /nfs/dbraw/zinc/19/45/79/462194579.db2.gz CFMYOWRZRPRGJN-JOCHJYFZSA-N 1 3 338.495 3.496 10 0 EGAEHO CCCc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593898 462194584 /nfs/dbraw/zinc/19/45/84/462194584.db2.gz CFMYOWRZRPRGJN-JOCHJYFZSA-N 1 3 338.495 3.496 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3ccc4cnccc4c3)cc2)C1 ZINC000657597269 462199182 /nfs/dbraw/zinc/19/91/82/462199182.db2.gz RXNVRJFVVRMEJD-JOCHJYFZSA-N 1 3 347.462 3.091 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccc4cnccc4c3)cc2)C1 ZINC000657597269 462199191 /nfs/dbraw/zinc/19/91/91/462199191.db2.gz RXNVRJFVVRMEJD-JOCHJYFZSA-N 1 3 347.462 3.091 10 0 EGAEHO c1nc(-c2ccccn2)sc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813448 462279769 /nfs/dbraw/zinc/27/97/69/462279769.db2.gz OQKRIJYQXLEMKA-UHFFFAOYSA-N 1 3 342.512 3.417 10 0 EGAEHO CC[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658071192 462367841 /nfs/dbraw/zinc/36/78/41/462367841.db2.gz VTCAHGZGZQTWED-GOSISDBHSA-N 1 3 335.467 3.152 10 0 EGAEHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273210 462378661 /nfs/dbraw/zinc/37/86/61/462378661.db2.gz RQLRFOLUQUJEQE-ZVDOUQERSA-N 1 3 335.451 3.102 10 0 EGAEHO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658136613 462400958 /nfs/dbraw/zinc/40/09/58/462400958.db2.gz DOHZJGBFIGYCHO-RBUKOAKNSA-N 1 3 344.524 3.426 10 0 EGAEHO CCC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000154935338 527977561 /nfs/dbraw/zinc/97/75/61/527977561.db2.gz RSSPWAOZLUJXST-RAFMOHDBSA-N 1 3 343.515 3.029 10 0 EGAEHO CCC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000154935338 527977564 /nfs/dbraw/zinc/97/75/64/527977564.db2.gz RSSPWAOZLUJXST-RAFMOHDBSA-N 1 3 343.515 3.029 10 0 EGAEHO CN(CCN1CC[N@H+](C)CC12CCCCC2)Cc1ccc(F)cc1 ZINC000181734740 547073868 /nfs/dbraw/zinc/07/38/68/547073868.db2.gz OOOWMIHSCXPDAY-UHFFFAOYSA-N 1 3 333.495 3.208 10 0 EGAEHO CN(CCN1CC[N@@H+](C)CC12CCCCC2)Cc1ccc(F)cc1 ZINC000181734740 547073870 /nfs/dbraw/zinc/07/38/70/547073870.db2.gz OOOWMIHSCXPDAY-UHFFFAOYSA-N 1 3 333.495 3.208 10 0 EGAEHO CN(C)CCOc1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)cc1 ZINC000682088891 550072617 /nfs/dbraw/zinc/07/26/17/550072617.db2.gz YMIUAWCHQDRLPH-HXUWFJFHSA-N 1 3 334.504 3.048 10 0 EGAEHO CO[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000684371184 550321260 /nfs/dbraw/zinc/32/12/60/550321260.db2.gz MEIJOITXYCYQLP-TZIWHRDSSA-N 1 3 345.531 3.136 10 0 EGAEHO COc1ccc2cc([C@H]3CN(CC4CC[NH2+]CC4)CCO3)ccc2c1 ZINC000071404240 1292268174 /nfs/dbraw/zinc/26/81/74/1292268174.db2.gz DHJIGQBOXREPPK-OAQYLSRUSA-N 1 3 340.467 3.221 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CCCCCC[NH3+])c1ccc2ccccc2c1 ZINC000872154770 1296772809 /nfs/dbraw/zinc/77/28/09/1296772809.db2.gz AFJDOJRZFYAOCS-QGZVFWFLSA-N 1 3 341.499 3.468 10 0 EGAEHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CCCCCC[NH3+] ZINC000872154865 1296773197 /nfs/dbraw/zinc/77/31/97/1296773197.db2.gz CRSZXFUDVHGJCW-CVEARBPZSA-N 1 3 337.533 3.251 10 0 EGAEHO CC(=O)c1ccccc1OCCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879246904 1300451221 /nfs/dbraw/zinc/45/12/21/1300451221.db2.gz JBGXAPKYIGXSGT-UHFFFAOYSA-N 1 3 330.472 3.076 10 0 EGAEHO CCN1CC[C@@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@H](C)C1 ZINC000894049023 1306190932 /nfs/dbraw/zinc/19/09/32/1306190932.db2.gz CCGPOPCXJNGAKT-RDTXWAMCSA-N 1 3 343.471 3.117 10 0 EGAEHO CCN1CC[C@@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)[C@H](C)C1 ZINC000894049023 1306190933 /nfs/dbraw/zinc/19/09/33/1306190933.db2.gz CCGPOPCXJNGAKT-RDTXWAMCSA-N 1 3 343.471 3.117 10 0 EGAEHO CC[N@H+](CCC1CCN(Cc2c(C)ccnc2N)CC1)CC1CC1 ZINC000894137071 1306239313 /nfs/dbraw/zinc/23/93/13/1306239313.db2.gz JLNDAZHEDMETQK-UHFFFAOYSA-N 1 3 330.520 3.306 10 0 EGAEHO CC[N@@H+](CCC1CCN(Cc2c(C)ccnc2N)CC1)CC1CC1 ZINC000894137071 1306239322 /nfs/dbraw/zinc/23/93/22/1306239322.db2.gz JLNDAZHEDMETQK-UHFFFAOYSA-N 1 3 330.520 3.306 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cnn(CCF)c2)CC1 ZINC000929485026 1328612924 /nfs/dbraw/zinc/61/29/24/1328612924.db2.gz BSTPFHHTVSXQSC-UHFFFAOYSA-N 1 3 344.478 3.197 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cnn(CCF)c2)CC1 ZINC000929485026 1328612928 /nfs/dbraw/zinc/61/29/28/1328612928.db2.gz BSTPFHHTVSXQSC-UHFFFAOYSA-N 1 3 344.478 3.197 10 0 EGAEHO C[NH+](C)C1(C)CCC(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000913738330 1319112139 /nfs/dbraw/zinc/11/21/39/1319112139.db2.gz QBUHRUVWIDYHIY-UHFFFAOYSA-N 1 3 342.487 3.284 10 0 EGAEHO C[C@H]1CN(Cc2cc(Br)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923501297 1322764062 /nfs/dbraw/zinc/76/40/62/1322764062.db2.gz PZYGXHHAFQGMJZ-GXTWGEPZSA-N 1 3 348.288 3.414 10 0 EGAEHO Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCCN2CCC(C)CC2)n(C)n1 ZINC000924580954 1323062206 /nfs/dbraw/zinc/06/22/06/1323062206.db2.gz ZSQQMDYPDLZIDZ-UYAOXDASSA-N 1 3 332.536 3.151 10 0 EGAEHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000931217510 1329072706 /nfs/dbraw/zinc/07/27/06/1329072706.db2.gz SOKOUGKVTIIGDY-UHFFFAOYSA-N 1 3 337.552 3.124 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCN(C(C)C)C2)n(C)n1 ZINC000924960758 1323228545 /nfs/dbraw/zinc/22/85/45/1323228545.db2.gz RVYAZHUOEFZCNC-BJLQDIEVSA-N 1 3 332.536 3.150 10 0 EGAEHO CN(C)Cc1cc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1F ZINC000925497182 1325178487 /nfs/dbraw/zinc/17/84/87/1325178487.db2.gz FNFRXGBKOIAHOM-QUCCMNQESA-N 1 3 333.495 3.145 10 0 EGAEHO [NH3+][C@H]1C[C@@H](NCC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523638 1325190477 /nfs/dbraw/zinc/19/04/77/1325190477.db2.gz URPUDANDVAHSNJ-LSDHHAIUSA-N 1 3 335.289 3.340 10 0 EGAEHO COc1ccc(COCCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925566094 1325213274 /nfs/dbraw/zinc/21/32/74/1325213274.db2.gz DCLZBVMOLJJISW-LEWJYISDSA-N 1 3 346.515 3.360 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCN(CC(C)C)C2)n(C)n1 ZINC000925589179 1325223916 /nfs/dbraw/zinc/22/39/16/1325223916.db2.gz VZHNTGWSCKRBHS-SVFBPWRDSA-N 1 3 346.563 3.397 10 0 EGAEHO CN(Cc1ccco1)Cc1ccccc1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925620807 1325235284 /nfs/dbraw/zinc/23/52/84/1325235284.db2.gz BHEGFOAHRMQGBO-VQTJNVASSA-N 1 3 339.483 3.271 10 0 EGAEHO [NH3+][C@H]1C[C@@H](NCCOCc2ccc(Cl)cc2Cl)C12CCC2 ZINC000925634376 1325240412 /nfs/dbraw/zinc/24/04/12/1325240412.db2.gz HQRCYMHFAKWKQE-LSDHHAIUSA-N 1 3 329.271 3.370 10 0 EGAEHO CC1(C)[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925635952 1325240726 /nfs/dbraw/zinc/24/07/26/1325240726.db2.gz VOIJNYGNXBWZAH-SXLOBPIMSA-N 1 3 344.499 3.266 10 0 EGAEHO Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646082 1325246587 /nfs/dbraw/zinc/24/65/87/1325246587.db2.gz SHTZBJRKPHLGHP-HZPDHXFCSA-N 1 3 347.894 3.225 10 0 EGAEHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000925703627 1325266183 /nfs/dbraw/zinc/26/61/83/1325266183.db2.gz DJTFDJQKYCRDFK-VLFNSIGCSA-N 1 3 346.490 3.314 10 0 EGAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725704 1325271129 /nfs/dbraw/zinc/27/11/29/1325271129.db2.gz NCBBRPASHRLAFV-WBAABTNJSA-N 1 3 347.300 3.206 10 0 EGAEHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@H]3Cc4ccc(Br)cc4[C@@H]13)[NH2+]2 ZINC000925731231 1325272801 /nfs/dbraw/zinc/27/28/01/1325272801.db2.gz ZIRVJZRLGHVUBH-WBAABTNJSA-N 1 3 347.300 3.206 10 0 EGAEHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1OCC ZINC000925780200 1325298683 /nfs/dbraw/zinc/29/86/83/1325298683.db2.gz SBSHVMYEYJVSDR-DZGCQCFKSA-N 1 3 342.430 3.379 10 0 EGAEHO C[C@@H](NCCN1CCC([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000925814095 1325314026 /nfs/dbraw/zinc/31/40/26/1325314026.db2.gz FRLKRRSRWJQXLG-LLVKDONJSA-N 1 3 347.837 3.015 10 0 EGAEHO C[C@H](C[C@H](C)[NH3+])NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874205 1325338182 /nfs/dbraw/zinc/33/81/82/1325338182.db2.gz PICZPNUFJZSLDI-QWHCGFSZSA-N 1 3 344.409 3.495 10 0 EGAEHO Cc1c([C@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000925875650 1325338412 /nfs/dbraw/zinc/33/84/12/1325338412.db2.gz KNYDRTOMWWXENT-LNSITVRQSA-N 1 3 333.867 3.007 10 0 EGAEHO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H](C)N2CCCCC2)n(C)n1 ZINC000926141719 1325445273 /nfs/dbraw/zinc/44/52/73/1325445273.db2.gz INQAMIAIJILFCE-CMKODMSKSA-N 1 3 332.536 3.294 10 0 EGAEHO CC[C@H](OCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000926652446 1327651544 /nfs/dbraw/zinc/65/15/44/1327651544.db2.gz SWAHHHXGZPZJIQ-VTHDOGFWSA-N 1 3 346.515 3.386 10 0 EGAEHO CC[C@H](OCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000926652446 1327651552 /nfs/dbraw/zinc/65/15/52/1327651552.db2.gz SWAHHHXGZPZJIQ-VTHDOGFWSA-N 1 3 346.515 3.386 10 0 EGAEHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865415895 1329693984 /nfs/dbraw/zinc/69/39/84/1329693984.db2.gz QJRIVLWEZFPTDT-GJZGRUSLSA-N 1 3 331.460 3.381 10 0 EGAEHO c1cc(CN2CCC(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)ccn1 ZINC000866388131 1330105263 /nfs/dbraw/zinc/10/52/63/1330105263.db2.gz BVBUJKFUWFTUCA-NHCUHLMSSA-N 1 3 343.515 3.231 10 0 EGAEHO Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c1 ZINC001323441683 1387370368 /nfs/dbraw/zinc/37/03/68/1387370368.db2.gz JBPRICJACMLWNZ-MJGOQNOKSA-N 1 3 343.515 3.167 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641017 1387415642 /nfs/dbraw/zinc/41/56/42/1387415642.db2.gz GRAKKCKNPWKJIG-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001323641017 1387415643 /nfs/dbraw/zinc/41/56/43/1387415643.db2.gz GRAKKCKNPWKJIG-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO Cc1cc(-n2ccnc2)ccc1CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368601 1368799725 /nfs/dbraw/zinc/79/97/25/1368799725.db2.gz JKDLMDWOIQSCDD-GOSISDBHSA-N 1 3 347.466 3.286 10 0 EGAEHO CCCCCC[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001264122068 1377140084 /nfs/dbraw/zinc/14/00/84/1377140084.db2.gz FUFSKVJGENOSFF-OALUTQOASA-N 1 3 337.552 3.269 10 0 EGAEHO CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116903 1377194496 /nfs/dbraw/zinc/19/44/96/1377194496.db2.gz OJFLTXJOCKZVLV-COQIJWMOSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001266116903 1377194498 /nfs/dbraw/zinc/19/44/98/1377194498.db2.gz OJFLTXJOCKZVLV-COQIJWMOSA-N 1 3 337.552 3.242 10 0 EGAEHO CN(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)CC(C)(C)C ZINC001135975136 1377283689 /nfs/dbraw/zinc/28/36/89/1377283689.db2.gz DLTTVBCHAMSJRB-UHFFFAOYSA-N 1 3 345.531 3.267 10 0 EGAEHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001268161593 1377489956 /nfs/dbraw/zinc/48/99/56/1377489956.db2.gz DHCAJDHREJKPAW-LJQANCHMSA-N 1 3 349.494 3.028 10 0 EGAEHO CC(C)c1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001275416536 1378140228 /nfs/dbraw/zinc/14/02/28/1378140228.db2.gz WKQXENCOMQOTID-DLBZAZTESA-N 1 3 345.531 3.277 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478805 1378510258 /nfs/dbraw/zinc/51/02/58/1378510258.db2.gz UKDUHMHJBLSRFU-YOEHRIQHSA-N 1 3 347.528 3.178 10 0 EGAEHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cc2ccccc2s1)N(C)C ZINC001282478805 1378510260 /nfs/dbraw/zinc/51/02/60/1378510260.db2.gz UKDUHMHJBLSRFU-YOEHRIQHSA-N 1 3 347.528 3.178 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1C ZINC001283240599 1378769498 /nfs/dbraw/zinc/76/94/98/1378769498.db2.gz VOKAIXMLJRXQMP-QFBILLFUSA-N 1 3 345.531 3.020 10 0 EGAEHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001327905560 1388620450 /nfs/dbraw/zinc/62/04/50/1388620450.db2.gz VOVLHFNCMWNGTD-MJGOQNOKSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)C[N@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001284545560 1379954217 /nfs/dbraw/zinc/95/42/17/1379954217.db2.gz WINDHKRQEADCSO-LJQANCHMSA-N 1 3 343.531 3.024 10 0 EGAEHO CC(C)C[N@@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001284545560 1379954218 /nfs/dbraw/zinc/95/42/18/1379954218.db2.gz WINDHKRQEADCSO-LJQANCHMSA-N 1 3 343.531 3.024 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C)N1CCCC1 ZINC001284652602 1380066855 /nfs/dbraw/zinc/06/68/55/1380066855.db2.gz KRQJBAMLUZKITD-ZWKOTPCHSA-N 1 3 337.552 3.027 10 0 EGAEHO CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001328686753 1388808053 /nfs/dbraw/zinc/80/80/53/1388808053.db2.gz OUVDDDVIYPCGHX-VAMGGRTRSA-N 1 3 343.515 3.033 10 0 EGAEHO CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001328781403 1388859556 /nfs/dbraw/zinc/85/95/56/1388859556.db2.gz SKJQLJQPRIKHKS-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001328781403 1388859558 /nfs/dbraw/zinc/85/95/58/1388859558.db2.gz SKJQLJQPRIKHKS-IBGZPJMESA-N 1 3 337.552 3.221 10 0 EGAEHO OC[C@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001307804224 1384035328 /nfs/dbraw/zinc/03/53/28/1384035328.db2.gz HTBYJVFFEIGVHU-QFIPXVFZSA-N 1 3 344.543 3.426 10 0 EGAEHO CC(C)N1CCN(CCC[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)CC1 ZINC001307998061 1384072155 /nfs/dbraw/zinc/07/21/55/1384072155.db2.gz XRRDZJXFCZJMJW-VSKRKVRLSA-N 1 3 341.543 3.138 10 0 EGAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)CC1 ZINC001307998061 1384072157 /nfs/dbraw/zinc/07/21/57/1384072157.db2.gz XRRDZJXFCZJMJW-VSKRKVRLSA-N 1 3 341.543 3.138 10 0 EGAEHO C[C@@H]1CN(CCN2CCCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001308040770 1384079566 /nfs/dbraw/zinc/07/95/66/1384079566.db2.gz PVBCLXQFFJEFGX-GOSISDBHSA-N 1 3 336.483 3.045 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001316771986 1384570723 /nfs/dbraw/zinc/57/07/23/1384570723.db2.gz VGYJIPLIUODGRG-GOSISDBHSA-N 1 3 325.541 3.124 10 0 EGAEHO Cc1cc(C)c(C[N@@H+](C)CCCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001316828636 1384621708 /nfs/dbraw/zinc/62/17/08/1384621708.db2.gz QRMOOHAGFCICIA-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO Cc1cc(C)c(C[N@H+](C)CCCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001316828636 1384621711 /nfs/dbraw/zinc/62/17/11/1384621711.db2.gz QRMOOHAGFCICIA-UHFFFAOYSA-N 1 3 345.531 3.034 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001317194964 1384969132 /nfs/dbraw/zinc/96/91/32/1384969132.db2.gz MAVOTSUQYHKMIJ-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001317414534 1385125045 /nfs/dbraw/zinc/12/50/45/1385125045.db2.gz ALBYKEYPWLNVRJ-GBOJCQPWSA-N 1 3 343.515 3.059 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416170 1385126072 /nfs/dbraw/zinc/12/60/72/1385126072.db2.gz SOAYCPIXQCLMLO-AZUAARDMSA-N 1 3 345.531 3.162 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001317435090 1385138038 /nfs/dbraw/zinc/13/80/38/1385138038.db2.gz PIENXHVETIUZBF-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC(C)C ZINC001317435090 1385138044 /nfs/dbraw/zinc/13/80/44/1385138044.db2.gz PIENXHVETIUZBF-OALUTQOASA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001317504711 1385210546 /nfs/dbraw/zinc/21/05/46/1385210546.db2.gz IGQCSNNJFUNALG-PWBPZBFBSA-N 1 3 335.536 3.186 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001317504711 1385210549 /nfs/dbraw/zinc/21/05/49/1385210549.db2.gz IGQCSNNJFUNALG-PWBPZBFBSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512872 1385225427 /nfs/dbraw/zinc/22/54/27/1385225427.db2.gz QCLKFCKXZFZQEK-LPHOPBHVSA-N 1 3 349.494 3.199 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001317513261 1385226157 /nfs/dbraw/zinc/22/61/57/1385226157.db2.gz JCXKNCQGYHSWHL-XSXCZSQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001317513261 1385226158 /nfs/dbraw/zinc/22/61/58/1385226158.db2.gz JCXKNCQGYHSWHL-XSXCZSQGSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001317684888 1385395212 /nfs/dbraw/zinc/39/52/12/1385395212.db2.gz IEBHQCDDPIIIOP-MRXNPFEDSA-N 1 3 346.519 3.139 10 0 EGAEHO CN(CC(=O)NC[C@@H]([NH2+]CC1CCCC1)c1ccccc1)C1CCC1 ZINC001317721351 1385422045 /nfs/dbraw/zinc/42/20/45/1385422045.db2.gz ULMWSUGJVYJXGX-HXUWFJFHSA-N 1 3 343.515 3.108 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812282 1385511899 /nfs/dbraw/zinc/51/18/99/1385511899.db2.gz XDKUWPSMLSKUPQ-ZWKOTPCHSA-N 1 3 345.531 3.236 10 0 EGAEHO CC[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001317812282 1385511906 /nfs/dbraw/zinc/51/19/06/1385511906.db2.gz XDKUWPSMLSKUPQ-ZWKOTPCHSA-N 1 3 345.531 3.236 10 0 EGAEHO C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001319377018 1386090439 /nfs/dbraw/zinc/09/04/39/1386090439.db2.gz FEGIXKUXVHMHKZ-SJORKVTESA-N 1 3 341.515 3.018 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCN1C(C)C ZINC001319609373 1386207930 /nfs/dbraw/zinc/20/79/30/1386207930.db2.gz LLVQNSNHDRDXMB-ZWKOTPCHSA-N 1 3 339.568 3.416 10 0 EGAEHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C)N(C)C ZINC001319955024 1386415061 /nfs/dbraw/zinc/41/50/61/1386415061.db2.gz BTWVIEQDZPUXEF-QZTJIDSGSA-N 1 3 339.568 3.273 10 0 EGAEHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163873 1386542943 /nfs/dbraw/zinc/54/29/43/1386542943.db2.gz KIIGWLFWVKECDZ-OALUTQOASA-N 1 3 349.563 3.339 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC(C)(C)C ZINC001322168396 1387085807 /nfs/dbraw/zinc/08/58/07/1387085807.db2.gz IVIGFXLWIUDDAD-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC(C)(C)C ZINC001322168396 1387085811 /nfs/dbraw/zinc/08/58/11/1387085811.db2.gz IVIGFXLWIUDDAD-SJORKVTESA-N 1 3 325.541 3.124 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001322843695 1387245079 /nfs/dbraw/zinc/24/50/79/1387245079.db2.gz GTDJEIPKGHABPG-GOSISDBHSA-N 1 3 333.520 3.143 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001329341960 1389068261 /nfs/dbraw/zinc/06/82/61/1389068261.db2.gz LFLFKHVUUANKSI-XAVKZTDYSA-N 1 3 343.943 3.076 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001329860779 1389238618 /nfs/dbraw/zinc/23/86/18/1389238618.db2.gz HWHPRPFHFGLPLB-UHFFFAOYSA-N 1 3 346.519 3.250 10 0 EGAEHO C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001330176519 1389328316 /nfs/dbraw/zinc/32/83/16/1389328316.db2.gz ZDKHATVJNPSMAS-KXEVLKFVSA-N 1 3 327.516 3.112 10 0 EGAEHO CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001698762452 1406417011 /nfs/dbraw/zinc/41/70/11/1406417011.db2.gz UPJCSOYFUPIPKR-MJGOQNOKSA-N 1 3 345.531 3.354 10 0 EGAEHO CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001479600283 1392285350 /nfs/dbraw/zinc/28/53/50/1392285350.db2.gz PLAQOCQPHUYOIP-YLJYHZDGSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479739858 1392353320 /nfs/dbraw/zinc/35/33/20/1392353320.db2.gz OPMXZWIGGYWIAA-MOPGFXCFSA-N 1 3 339.568 3.322 10 0 EGAEHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001479739858 1392353325 /nfs/dbraw/zinc/35/33/25/1392353325.db2.gz OPMXZWIGGYWIAA-MOPGFXCFSA-N 1 3 339.568 3.322 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001698860190 1406569630 /nfs/dbraw/zinc/56/96/30/1406569630.db2.gz HQFSAGBYAMRWRP-KRWDZBQOSA-N 1 3 325.541 3.124 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001480266456 1392650855 /nfs/dbraw/zinc/65/08/55/1392650855.db2.gz STYRCSPWLYFXIX-IKLBINMZSA-N 1 3 349.563 3.435 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001480266456 1392650859 /nfs/dbraw/zinc/65/08/59/1392650859.db2.gz STYRCSPWLYFXIX-IKLBINMZSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295916 1392664273 /nfs/dbraw/zinc/66/42/73/1392664273.db2.gz MMLMJOSSWWVXFH-ICSRJNTNSA-N 1 3 349.563 3.127 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001480302094 1392666851 /nfs/dbraw/zinc/66/68/51/1392666851.db2.gz GCZLFKUIFNCLOR-LJQANCHMSA-N 1 3 349.563 3.127 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001480346824 1392698533 /nfs/dbraw/zinc/69/85/33/1392698533.db2.gz JSGDFNWEKXHOKD-WLMAVBAVSA-N 1 3 335.536 3.186 10 0 EGAEHO CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001480367736 1392710746 /nfs/dbraw/zinc/71/07/46/1392710746.db2.gz LVLMFDMJVZYLGS-RBUKOAKNSA-N 1 3 349.494 3.081 10 0 EGAEHO Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c(C)c1 ZINC001480458644 1392759138 /nfs/dbraw/zinc/75/91/38/1392759138.db2.gz FMZBLAFPNGMCFA-UYAOXDASSA-N 1 3 345.531 3.079 10 0 EGAEHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001480697436 1392860856 /nfs/dbraw/zinc/86/08/56/1392860856.db2.gz FHPPZDBMTJCPFM-RTBURBONSA-N 1 3 349.563 3.458 10 0 EGAEHO CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480723276 1392884574 /nfs/dbraw/zinc/88/45/74/1392884574.db2.gz BOTAQBZUSRBYLC-GOSISDBHSA-N 1 3 337.552 3.220 10 0 EGAEHO CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480723276 1392884581 /nfs/dbraw/zinc/88/45/81/1392884581.db2.gz BOTAQBZUSRBYLC-GOSISDBHSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058777 1393109136 /nfs/dbraw/zinc/10/91/36/1393109136.db2.gz ZPDAITLJBZWJFM-OALUTQOASA-N 1 3 349.563 3.268 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1)N(CC)CC ZINC001481058777 1393109137 /nfs/dbraw/zinc/10/91/37/1393109137.db2.gz ZPDAITLJBZWJFM-OALUTQOASA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001481071751 1393113267 /nfs/dbraw/zinc/11/32/67/1393113267.db2.gz RYXRBEGFXNDZJZ-HXUWFJFHSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001481071751 1393113268 /nfs/dbraw/zinc/11/32/68/1393113268.db2.gz RYXRBEGFXNDZJZ-HXUWFJFHSA-N 1 3 345.531 3.379 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001698922741 1406658397 /nfs/dbraw/zinc/65/83/97/1406658397.db2.gz HFHJZASUOISDBD-LJQANCHMSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001698927637 1406663765 /nfs/dbraw/zinc/66/37/65/1406663765.db2.gz GAERBJFTGJNMNF-ZWKOTPCHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001491113910 1394433924 /nfs/dbraw/zinc/43/39/24/1394433924.db2.gz KKVGQJGZTNUXCN-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001491113910 1394433928 /nfs/dbraw/zinc/43/39/28/1394433928.db2.gz KKVGQJGZTNUXCN-GOSISDBHSA-N 1 3 337.552 3.269 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856155 1394561418 /nfs/dbraw/zinc/56/14/18/1394561418.db2.gz PHKJPTSLWGVKOI-MJGOQNOKSA-N 1 3 335.536 3.236 10 0 EGAEHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001482026681 1394684784 /nfs/dbraw/zinc/68/47/84/1394684784.db2.gz ZXMVISCKQPYIOG-XSLAGTTESA-N 1 3 337.552 3.312 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001482108589 1394750806 /nfs/dbraw/zinc/75/08/06/1394750806.db2.gz TZTOLISFQLPNSC-FUHWJXTLSA-N 1 3 345.531 3.191 10 0 EGAEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001482174282 1394787685 /nfs/dbraw/zinc/78/76/85/1394787685.db2.gz XPHSWNDQGNSLCB-LSDHHAIUSA-N 1 3 339.911 3.083 10 0 EGAEHO C[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)N1CCCCCC1 ZINC001482231393 1394826358 /nfs/dbraw/zinc/82/63/58/1394826358.db2.gz QMSCWOHGJVRCOU-SFHVURJKSA-N 1 3 349.563 3.460 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001482369994 1394932100 /nfs/dbraw/zinc/93/21/00/1394932100.db2.gz QWWPPZJVMGBZGH-KRWDZBQOSA-N 1 3 347.547 3.261 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482411772 1394976400 /nfs/dbraw/zinc/97/64/00/1394976400.db2.gz AMSIZANPMGTMFD-IBGZPJMESA-N 1 3 337.552 3.172 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115970 1395260139 /nfs/dbraw/zinc/26/01/39/1395260139.db2.gz YPUKMYBQVURRSH-TZIWHRDSSA-N 1 3 349.563 3.268 10 0 EGAEHO CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001484816496 1395550965 /nfs/dbraw/zinc/55/09/65/1395550965.db2.gz LBVQXVZOXVDIKR-GOSISDBHSA-N 1 3 347.547 3.189 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCC(C)C)C2)C1)N(C)C ZINC001484833178 1395569895 /nfs/dbraw/zinc/56/98/95/1395569895.db2.gz YHXNFVPCANQBMM-AZUAARDMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCCC(C)C)C2)C1)N(C)C ZINC001484833178 1395569899 /nfs/dbraw/zinc/56/98/99/1395569899.db2.gz YHXNFVPCANQBMM-AZUAARDMSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCCC(C)C)C2)N(C)C ZINC001484874680 1395577003 /nfs/dbraw/zinc/57/70/03/1395577003.db2.gz VWTBATDRCYSEPU-HXUWFJFHSA-N 1 3 345.531 3.395 10 0 EGAEHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CCCC(C)C)C2)N(C)C ZINC001484874680 1395577007 /nfs/dbraw/zinc/57/70/07/1395577007.db2.gz VWTBATDRCYSEPU-HXUWFJFHSA-N 1 3 345.531 3.395 10 0 EGAEHO CCCCC[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC001485450598 1395918377 /nfs/dbraw/zinc/91/83/77/1395918377.db2.gz KLMVQPAEDZQANR-SFHVURJKSA-N 1 3 337.552 3.458 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1)N1CCCC1 ZINC001485486702 1395972083 /nfs/dbraw/zinc/97/20/83/1395972083.db2.gz ZUBSETZOQYBYAW-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1)N1CCCC1 ZINC001485486702 1395972085 /nfs/dbraw/zinc/97/20/85/1395972085.db2.gz ZUBSETZOQYBYAW-WOJBJXKFSA-N 1 3 349.563 3.268 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001698997171 1406797376 /nfs/dbraw/zinc/79/73/76/1406797376.db2.gz SRALIPZZBFPVPB-PKOBYXMFSA-N 1 3 345.531 3.096 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001698997171 1406797378 /nfs/dbraw/zinc/79/73/78/1406797378.db2.gz SRALIPZZBFPVPB-PKOBYXMFSA-N 1 3 345.531 3.096 10 0 EGAEHO CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001485667398 1396097297 /nfs/dbraw/zinc/09/72/97/1396097297.db2.gz HSJKFRFENYJZAR-NRSPTQNISA-N 1 3 349.563 3.220 10 0 EGAEHO CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001485667398 1396097303 /nfs/dbraw/zinc/09/73/03/1396097303.db2.gz HSJKFRFENYJZAR-NRSPTQNISA-N 1 3 349.563 3.220 10 0 EGAEHO CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CC1(C)C ZINC001486235069 1396185901 /nfs/dbraw/zinc/18/59/01/1396185901.db2.gz RFRIOUXGBGPPNB-QZTJIDSGSA-N 1 3 337.552 3.268 10 0 EGAEHO CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001503023686 1396241506 /nfs/dbraw/zinc/24/15/06/1396241506.db2.gz PIXBXELZHWLRJS-FXAWDEMLSA-N 1 3 345.531 3.058 10 0 EGAEHO CCc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001503023686 1396241508 /nfs/dbraw/zinc/24/15/08/1396241508.db2.gz PIXBXELZHWLRJS-FXAWDEMLSA-N 1 3 345.531 3.058 10 0 EGAEHO CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001503023687 1396241862 /nfs/dbraw/zinc/24/18/62/1396241862.db2.gz PIXBXELZHWLRJS-PXNSSMCTSA-N 1 3 345.531 3.058 10 0 EGAEHO CCc1ccc(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C)cc1 ZINC001503023687 1396241865 /nfs/dbraw/zinc/24/18/65/1396241865.db2.gz PIXBXELZHWLRJS-PXNSSMCTSA-N 1 3 345.531 3.058 10 0 EGAEHO CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001494241919 1396407849 /nfs/dbraw/zinc/40/78/49/1396407849.db2.gz WBFZUOLJOBMXIN-OBNUAKFSSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001496359887 1396666144 /nfs/dbraw/zinc/66/61/44/1396666144.db2.gz RYYRKZUHQIYGJZ-MSOLQXFVSA-N 1 3 339.568 3.227 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001496366165 1396670378 /nfs/dbraw/zinc/67/03/78/1396670378.db2.gz AJTIGFHFONVJOU-PKOBYXMFSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267992 1396999158 /nfs/dbraw/zinc/99/91/58/1396999158.db2.gz VSFKTQIVQQFYNH-ICSRJNTNSA-N 1 3 349.563 3.269 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001691194036 1405131919 /nfs/dbraw/zinc/13/19/19/1405131919.db2.gz KAFCOZQOBJLPBE-ZWKOTPCHSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001691194036 1405131920 /nfs/dbraw/zinc/13/19/20/1405131920.db2.gz KAFCOZQOBJLPBE-ZWKOTPCHSA-N 1 3 349.544 3.093 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001691733398 1405456030 /nfs/dbraw/zinc/45/60/30/1405456030.db2.gz PNRLNUFAVYRXCH-PKOBYXMFSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001691798798 1405510639 /nfs/dbraw/zinc/51/06/39/1405510639.db2.gz QFCJLLAZENDYME-SFHVURJKSA-N 1 3 325.541 3.076 10 0 EGAEHO CC(C)CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001691798798 1405510643 /nfs/dbraw/zinc/51/06/43/1405510643.db2.gz QFCJLLAZENDYME-SFHVURJKSA-N 1 3 325.541 3.076 10 0 EGAEHO CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001692120015 1405782077 /nfs/dbraw/zinc/78/20/77/1405782077.db2.gz UMIMWWNPNJWIKU-QZTJIDSGSA-N 1 3 339.568 3.371 10 0 EGAEHO Cc1ccccc1C[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001732012421 1428226939 /nfs/dbraw/zinc/22/69/39/1428226939.db2.gz LSRCLPFGIIAIBJ-GOSISDBHSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccccc1C[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001732012421 1428226940 /nfs/dbraw/zinc/22/69/40/1428226940.db2.gz LSRCLPFGIIAIBJ-GOSISDBHSA-N 1 3 345.531 3.054 10 0 EGAEHO CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1 ZINC001732024385 1428242436 /nfs/dbraw/zinc/24/24/36/1428242436.db2.gz KTGDUXAQLAUINY-MOPGFXCFSA-N 1 3 331.504 3.106 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187882 1428439216 /nfs/dbraw/zinc/43/92/16/1428439216.db2.gz VSUXLWCFBMAPDB-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001732187882 1428439218 /nfs/dbraw/zinc/43/92/18/1428439218.db2.gz VSUXLWCFBMAPDB-AZUAARDMSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201900 1428452467 /nfs/dbraw/zinc/45/24/67/1428452467.db2.gz SCUJFXPVBICKMW-RBUKOAKNSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222836 1428471583 /nfs/dbraw/zinc/47/15/83/1428471583.db2.gz KWZXFRJRAYBYRE-RTBURBONSA-N 1 3 349.494 3.073 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001732299825 1428518929 /nfs/dbraw/zinc/51/89/29/1428518929.db2.gz TUPDNBNRLZXOGB-GOSISDBHSA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC001699336548 1412646997 /nfs/dbraw/zinc/64/69/97/1412646997.db2.gz SFQFJVCVJNYRRA-MEGKRXCUSA-N 1 3 349.906 3.005 10 0 EGAEHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC001699336548 1412646999 /nfs/dbraw/zinc/64/69/99/1412646999.db2.gz SFQFJVCVJNYRRA-MEGKRXCUSA-N 1 3 349.906 3.005 10 0 EGAEHO CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699513884 1412900651 /nfs/dbraw/zinc/90/06/51/1412900651.db2.gz YEDJFMSCJDMBKH-ROUUACIJSA-N 1 3 337.552 3.316 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001699696108 1413105500 /nfs/dbraw/zinc/10/55/00/1413105500.db2.gz ZMHYLNVOTVCQLN-OAQYLSRUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001699696108 1413105503 /nfs/dbraw/zinc/10/55/03/1413105503.db2.gz ZMHYLNVOTVCQLN-OAQYLSRUSA-N 1 3 349.563 3.245 10 0 EGAEHO CC1CCC(C[NH2+]CC[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001700064343 1413481311 /nfs/dbraw/zinc/48/13/11/1413481311.db2.gz BSRVZQDKHMSSIX-ACBHZAAOSA-N 1 3 349.563 3.125 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[N@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203302 1413647556 /nfs/dbraw/zinc/64/75/56/1413647556.db2.gz KGTJZDBVFWLVGM-RTBURBONSA-N 1 3 337.552 3.079 10 0 EGAEHO C[C@@H]1CCC[C@H](CC[N@@H+](C)CCCN(C)C(=O)CN2CCCC2)C1 ZINC001700203302 1413647560 /nfs/dbraw/zinc/64/75/60/1413647560.db2.gz KGTJZDBVFWLVGM-RTBURBONSA-N 1 3 337.552 3.079 10 0 EGAEHO CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001700217952 1413661853 /nfs/dbraw/zinc/66/18/53/1413661853.db2.gz PUMADPQYQBOROW-LJQANCHMSA-N 1 3 347.547 3.332 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001700293636 1413751126 /nfs/dbraw/zinc/75/11/26/1413751126.db2.gz UPVZUPJWNDEDJY-OALUTQOASA-N 1 3 349.563 3.434 10 0 EGAEHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)CC1(C)C)N(C)C ZINC001700293636 1413751130 /nfs/dbraw/zinc/75/11/30/1413751130.db2.gz UPVZUPJWNDEDJY-OALUTQOASA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317267 1413777593 /nfs/dbraw/zinc/77/75/93/1413777593.db2.gz FVUICBGXAOZBKD-IAGOWNOFSA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CC[N@H+]1CCCCCF ZINC001700317267 1413777597 /nfs/dbraw/zinc/77/75/97/1413777597.db2.gz FVUICBGXAOZBKD-IAGOWNOFSA-N 1 3 343.531 3.073 10 0 EGAEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001700418869 1413966324 /nfs/dbraw/zinc/96/63/24/1413966324.db2.gz UWWWPDKGIZENDC-IRXDYDNUSA-N 1 3 337.552 3.338 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001700462135 1414062365 /nfs/dbraw/zinc/06/23/65/1414062365.db2.gz CQBDXJJPQNATLU-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001700462135 1414062370 /nfs/dbraw/zinc/06/23/70/1414062370.db2.gz CQBDXJJPQNATLU-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001700474429 1414098448 /nfs/dbraw/zinc/09/84/48/1414098448.db2.gz OOOYDBDGCXCLRY-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001700474429 1414098453 /nfs/dbraw/zinc/09/84/53/1414098453.db2.gz OOOYDBDGCXCLRY-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001732595969 1428830582 /nfs/dbraw/zinc/83/05/82/1428830582.db2.gz XWMWVANNNVOZAG-LJQANCHMSA-N 1 3 345.531 3.042 10 0 EGAEHO CC(C)c1ccc(CN(C)CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001732595969 1428830589 /nfs/dbraw/zinc/83/05/89/1428830589.db2.gz XWMWVANNNVOZAG-LJQANCHMSA-N 1 3 345.531 3.042 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001701062410 1414719349 /nfs/dbraw/zinc/71/93/49/1414719349.db2.gz AQVRGKJMRPHCDQ-AZUAARDMSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001701062410 1414719351 /nfs/dbraw/zinc/71/93/51/1414719351.db2.gz AQVRGKJMRPHCDQ-AZUAARDMSA-N 1 3 349.563 3.291 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CCCC(C)(C)C ZINC001712990942 1417541993 /nfs/dbraw/zinc/54/19/93/1417541993.db2.gz KJCGMRVJNVDNON-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CCCC(C)(C)C ZINC001712990942 1417541991 /nfs/dbraw/zinc/54/19/91/1417541991.db2.gz KJCGMRVJNVDNON-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001712990936 1417542375 /nfs/dbraw/zinc/54/23/75/1417542375.db2.gz KCAULSNWDXLGPU-IEBWSBKVSA-N 1 3 331.504 3.060 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001712990936 1417542377 /nfs/dbraw/zinc/54/23/77/1417542377.db2.gz KCAULSNWDXLGPU-IEBWSBKVSA-N 1 3 331.504 3.060 10 0 EGAEHO CC[N@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCC2(CC2)CC1 ZINC001713029515 1417581004 /nfs/dbraw/zinc/58/10/04/1417581004.db2.gz ZKGOIFMYDSLWDC-UHFFFAOYSA-N 1 3 346.519 3.059 10 0 EGAEHO CC[N@@H+](CCCNC(=O)Cc1nc[nH]c1C)CC1CCC2(CC2)CC1 ZINC001713029515 1417581008 /nfs/dbraw/zinc/58/10/08/1417581008.db2.gz ZKGOIFMYDSLWDC-UHFFFAOYSA-N 1 3 346.519 3.059 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121513 1417687664 /nfs/dbraw/zinc/68/76/64/1417687664.db2.gz LASYHACWBZJZEY-VQTJNVASSA-N 1 3 349.563 3.314 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239357 1417825362 /nfs/dbraw/zinc/82/53/62/1417825362.db2.gz SQVCQKPLCSQIJG-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1=CCCCC1 ZINC001713423518 1418050048 /nfs/dbraw/zinc/05/00/48/1418050048.db2.gz URSPLVDFZQGVRC-QGZVFWFLSA-N 1 3 343.515 3.347 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001733144411 1429261170 /nfs/dbraw/zinc/26/11/70/1429261170.db2.gz FFTCZUHFGRKTQY-HNNXBMFYSA-N 1 3 339.911 3.179 10 0 EGAEHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713913412 1418709302 /nfs/dbraw/zinc/70/93/02/1418709302.db2.gz XBGLMMIYHJEACK-WTGUMLROSA-N 1 3 349.563 3.218 10 0 EGAEHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)CC(C)(C)C ZINC001713959748 1418741081 /nfs/dbraw/zinc/74/10/81/1418741081.db2.gz RQVFSYXGMNZBFA-IYARVYRRSA-N 1 3 337.552 3.172 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075633 1418870338 /nfs/dbraw/zinc/87/03/38/1418870338.db2.gz YUEJFOYMUKZIJM-VQTJNVASSA-N 1 3 345.531 3.161 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]Cc1c(C)cccc1C ZINC001714095645 1418889340 /nfs/dbraw/zinc/88/93/40/1418889340.db2.gz KZTMKXCVSZEEEJ-GOSISDBHSA-N 1 3 345.531 3.162 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001714155192 1418964721 /nfs/dbraw/zinc/96/47/21/1418964721.db2.gz FBIWRASFOXHEOJ-ICSRJNTNSA-N 1 3 349.563 3.435 10 0 EGAEHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001714155192 1418964724 /nfs/dbraw/zinc/96/47/24/1418964724.db2.gz FBIWRASFOXHEOJ-ICSRJNTNSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001714252968 1419038216 /nfs/dbraw/zinc/03/82/16/1419038216.db2.gz BREDIHDLUGZZGY-VOFKWLDRSA-N 1 3 335.536 3.045 10 0 EGAEHO CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714401033 1419144132 /nfs/dbraw/zinc/14/41/32/1419144132.db2.gz HYBWJJAPFSTFTO-MSOLQXFVSA-N 1 3 337.552 3.458 10 0 EGAEHO CN(CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1)CC(C)(C)C ZINC001714505627 1419232915 /nfs/dbraw/zinc/23/29/15/1419232915.db2.gz RBIFPOLOTNVAMH-UHFFFAOYSA-N 1 3 349.563 3.483 10 0 EGAEHO CC(C)[C@H](C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571406 1419303497 /nfs/dbraw/zinc/30/34/97/1419303497.db2.gz CPNMVAYACRMPAC-VQIMIIECSA-N 1 3 349.494 3.055 10 0 EGAEHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC(C)(C)C1 ZINC001714595147 1419346400 /nfs/dbraw/zinc/34/64/00/1419346400.db2.gz OONJVJBLCXEIOB-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC(C)(C)C1 ZINC001714595147 1419346401 /nfs/dbraw/zinc/34/64/01/1419346401.db2.gz OONJVJBLCXEIOB-GOSISDBHSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714636466 1419407537 /nfs/dbraw/zinc/40/75/37/1419407537.db2.gz TVXUZUGGLPBMLC-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001714636466 1419407540 /nfs/dbraw/zinc/40/75/40/1419407540.db2.gz TVXUZUGGLPBMLC-SFHVURJKSA-N 1 3 337.552 3.269 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001714650279 1419427792 /nfs/dbraw/zinc/42/77/92/1419427792.db2.gz RETVVIKKWQUCLN-OALUTQOASA-N 1 3 345.531 3.144 10 0 EGAEHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001714650279 1419427794 /nfs/dbraw/zinc/42/77/94/1419427794.db2.gz RETVVIKKWQUCLN-OALUTQOASA-N 1 3 345.531 3.144 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)CCN[C@@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795869 1419512494 /nfs/dbraw/zinc/51/24/94/1419512494.db2.gz BVMAGVRMQOINRY-QFBILLFUSA-N 1 3 349.494 3.055 10 0 EGAEHO CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001714806759 1419519087 /nfs/dbraw/zinc/51/90/87/1419519087.db2.gz LKPYVSRKTROZSZ-RTRPANQVSA-N 1 3 335.536 3.044 10 0 EGAEHO C[C@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001714813037 1419523992 /nfs/dbraw/zinc/52/39/92/1419523992.db2.gz FPYRTYDWUGMKEV-SFHVURJKSA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)c1ccccc1 ZINC001714839744 1419552479 /nfs/dbraw/zinc/55/24/79/1419552479.db2.gz MONXBZMQFMRTAY-RBUKOAKNSA-N 1 3 331.504 3.105 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CCN(CC=C(C)C)C1 ZINC001714856668 1419573876 /nfs/dbraw/zinc/57/38/76/1419573876.db2.gz RWRRPJCYSDNRJI-OALUTQOASA-N 1 3 335.536 3.138 10 0 EGAEHO CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CCN(CC=C(C)C)C1 ZINC001714856668 1419573881 /nfs/dbraw/zinc/57/38/81/1419573881.db2.gz RWRRPJCYSDNRJI-OALUTQOASA-N 1 3 335.536 3.138 10 0 EGAEHO Cc1cccc([C@@H](C)N2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001714922872 1419675868 /nfs/dbraw/zinc/67/58/68/1419675868.db2.gz XMPGINSSLYAHPS-UYAOXDASSA-N 1 3 345.531 3.369 10 0 EGAEHO CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001714980658 1419715441 /nfs/dbraw/zinc/71/54/41/1419715441.db2.gz UIGFBEOCULDPCG-OALUTQOASA-N 1 3 337.552 3.312 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018576 1419749870 /nfs/dbraw/zinc/74/98/70/1419749870.db2.gz IAMIDCICVRQIIP-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(CC)CC ZINC001715018576 1419749873 /nfs/dbraw/zinc/74/98/73/1419749873.db2.gz IAMIDCICVRQIIP-RBUKOAKNSA-N 1 3 337.552 3.220 10 0 EGAEHO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)cc1C ZINC001715192062 1419923944 /nfs/dbraw/zinc/92/39/44/1419923944.db2.gz VKBPVGFTMKXNLM-MXVIHJGJSA-N 1 3 345.531 3.161 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001715238552 1419968886 /nfs/dbraw/zinc/96/88/86/1419968886.db2.gz ZWROPAAQMGTYTM-FBQMEGEOSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001715336363 1420040469 /nfs/dbraw/zinc/04/04/69/1420040469.db2.gz JHZFFFUVHZNIKN-KRWDZBQOSA-N 1 3 345.531 3.231 10 0 EGAEHO CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CCCCC1 ZINC001715404424 1420103030 /nfs/dbraw/zinc/10/30/30/1420103030.db2.gz KNLLOYUMQTUIAP-RBUKOAKNSA-N 1 3 337.552 3.172 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445567 1420129896 /nfs/dbraw/zinc/12/98/96/1420129896.db2.gz JNZGIUQQFBGZRZ-QUCCMNQESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001715463931 1420143299 /nfs/dbraw/zinc/14/32/99/1420143299.db2.gz IIVXJIMRNQOEOH-MSOLQXFVSA-N 1 3 337.552 3.147 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001715540227 1420237799 /nfs/dbraw/zinc/23/77/99/1420237799.db2.gz UMVFOCZHZXFUTA-UHFFFAOYSA-N 1 3 347.547 3.215 10 0 EGAEHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001715540227 1420237802 /nfs/dbraw/zinc/23/78/02/1420237802.db2.gz UMVFOCZHZXFUTA-UHFFFAOYSA-N 1 3 347.547 3.215 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001715561781 1420253540 /nfs/dbraw/zinc/25/35/40/1420253540.db2.gz SOWQOWIZPRMXQB-ZYHOBAKYSA-N 1 3 349.563 3.482 10 0 EGAEHO C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001715681068 1420291971 /nfs/dbraw/zinc/29/19/71/1420291971.db2.gz GAGUOQNUIXCGRM-BEFAXECRSA-N 1 3 343.531 3.120 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001715701223 1420300924 /nfs/dbraw/zinc/30/09/24/1420300924.db2.gz MRPVCCRANHTUAD-HNNXBMFYSA-N 1 3 342.487 3.069 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026422 1420483476 /nfs/dbraw/zinc/48/34/76/1420483476.db2.gz FHJSIEUGFROHRM-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001716026422 1420483477 /nfs/dbraw/zinc/48/34/77/1420483477.db2.gz FHJSIEUGFROHRM-MJGOQNOKSA-N 1 3 335.536 3.186 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCC2)C1 ZINC001716049511 1420513781 /nfs/dbraw/zinc/51/37/81/1420513781.db2.gz BSRHLSKXCZWUTI-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001716049511 1420513783 /nfs/dbraw/zinc/51/37/83/1420513783.db2.gz BSRHLSKXCZWUTI-WOJBJXKFSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001716051532 1420515771 /nfs/dbraw/zinc/51/57/71/1420515771.db2.gz ZTAYFUVTAIPYSF-MOPGFXCFSA-N 1 3 349.563 3.364 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001716051532 1420515773 /nfs/dbraw/zinc/51/57/73/1420515773.db2.gz ZTAYFUVTAIPYSF-MOPGFXCFSA-N 1 3 349.563 3.364 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001716441177 1420661124 /nfs/dbraw/zinc/66/11/24/1420661124.db2.gz JOVPVQRAHXWAEY-SCTDSRPQSA-N 1 3 333.520 3.045 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001716787201 1420922246 /nfs/dbraw/zinc/92/22/46/1420922246.db2.gz PQWIHKAAFAKJSU-UEKDZROGSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717149901 1421141011 /nfs/dbraw/zinc/14/10/11/1421141011.db2.gz GWIUPINOATZJJP-IBGZPJMESA-N 1 3 349.563 3.458 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001733287470 1429462362 /nfs/dbraw/zinc/46/23/62/1429462362.db2.gz FXGLXLHOEYUKNY-PZJWPPBQSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001733287470 1429462363 /nfs/dbraw/zinc/46/23/63/1429462363.db2.gz FXGLXLHOEYUKNY-PZJWPPBQSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC001717290057 1421237060 /nfs/dbraw/zinc/23/70/60/1421237060.db2.gz FWTBHXQZQACLIO-PXNSSMCTSA-N 1 3 345.531 3.088 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001717334095 1421270290 /nfs/dbraw/zinc/27/02/90/1421270290.db2.gz PNDXWQJXYXDGAK-DFOOCIKTSA-N 1 3 335.536 3.186 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001717334095 1421270291 /nfs/dbraw/zinc/27/02/91/1421270291.db2.gz PNDXWQJXYXDGAK-DFOOCIKTSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC001717338815 1421276404 /nfs/dbraw/zinc/27/64/04/1421276404.db2.gz ATUAFCCBHHUUSP-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC001717338815 1421276407 /nfs/dbraw/zinc/27/64/07/1421276407.db2.gz ATUAFCCBHHUUSP-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001717412320 1421343930 /nfs/dbraw/zinc/34/39/30/1421343930.db2.gz DYGKQBZIDOKRLW-HOTGVXAUSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001717412319 1421343939 /nfs/dbraw/zinc/34/39/39/1421343939.db2.gz DYGKQBZIDOKRLW-CVEARBPZSA-N 1 3 343.515 3.031 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001717459952 1421389670 /nfs/dbraw/zinc/38/96/70/1421389670.db2.gz UBKHEDBLDOBBLS-CALCHBBNSA-N 1 3 339.568 3.370 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC1CCCC1 ZINC001717471806 1421405228 /nfs/dbraw/zinc/40/52/28/1421405228.db2.gz GBHVCTOXRHAIIC-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001717471806 1421405229 /nfs/dbraw/zinc/40/52/29/1421405229.db2.gz GBHVCTOXRHAIIC-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CCCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717486640 1421423601 /nfs/dbraw/zinc/42/36/01/1421423601.db2.gz BLXQNJFMTPURFE-VQIMIIECSA-N 1 3 343.531 3.216 10 0 EGAEHO CCCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717486640 1421423604 /nfs/dbraw/zinc/42/36/04/1421423604.db2.gz BLXQNJFMTPURFE-VQIMIIECSA-N 1 3 343.531 3.216 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001717538947 1421477936 /nfs/dbraw/zinc/47/79/36/1421477936.db2.gz WBLDQJYMPVRTNV-PXEQJPNCSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001717538947 1421477938 /nfs/dbraw/zinc/47/79/38/1421477938.db2.gz WBLDQJYMPVRTNV-PXEQJPNCSA-N 1 3 337.552 3.290 10 0 EGAEHO CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001717547971 1421487084 /nfs/dbraw/zinc/48/70/84/1421487084.db2.gz CYESAKBMVILOLA-LXXRFIIISA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1ccccc1C[N@@H+](C)CCN(C(=O)[C@@H]1CCCCN1C)C(C)C ZINC001717948843 1421716017 /nfs/dbraw/zinc/71/60/17/1421716017.db2.gz CJFJOEJAJNFWQZ-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO Cc1ccccc1C[N@H+](C)CCN(C(=O)[C@@H]1CCCCN1C)C(C)C ZINC001717948843 1421716020 /nfs/dbraw/zinc/71/60/20/1421716020.db2.gz CJFJOEJAJNFWQZ-FQEVSTJZSA-N 1 3 345.531 3.148 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001733329306 1429514664 /nfs/dbraw/zinc/51/46/64/1429514664.db2.gz AWNLKJIUIYZTIR-PXNSSMCTSA-N 1 3 343.515 3.297 10 0 EGAEHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001733359536 1429541940 /nfs/dbraw/zinc/54/19/40/1429541940.db2.gz BRGMPEYWAHMWCH-GOSISDBHSA-N 1 3 347.547 3.189 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001722915813 1424251833 /nfs/dbraw/zinc/25/18/33/1424251833.db2.gz IENPCDQGLIAQLK-IUQDWYLOSA-N 1 3 343.515 3.011 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)C/C=C\c1ccccc1 ZINC001722915813 1424251836 /nfs/dbraw/zinc/25/18/36/1424251836.db2.gz IENPCDQGLIAQLK-IUQDWYLOSA-N 1 3 343.515 3.011 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606964 1424486078 /nfs/dbraw/zinc/48/60/78/1424486078.db2.gz JABAYYPEQVDDND-ZBWOGFRMSA-N 1 3 349.563 3.386 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001723606964 1424486081 /nfs/dbraw/zinc/48/60/81/1424486081.db2.gz JABAYYPEQVDDND-ZBWOGFRMSA-N 1 3 349.563 3.386 10 0 EGAEHO CN(CC(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1)C1CCC1 ZINC001724003999 1424623690 /nfs/dbraw/zinc/62/36/90/1424623690.db2.gz DPJGEQDDHWLVLJ-UHFFFAOYSA-N 1 3 347.547 3.332 10 0 EGAEHO CCCCC[NH+]1CCC(C)(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001724307328 1424790176 /nfs/dbraw/zinc/79/01/76/1424790176.db2.gz ZHMNNZPCUPKTFM-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)c1ccccc1CC ZINC001724511821 1424888492 /nfs/dbraw/zinc/88/84/92/1424888492.db2.gz MCSYIGFYKHJLSR-UXHICEINSA-N 1 3 345.531 3.279 10 0 EGAEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725108531 1425562096 /nfs/dbraw/zinc/56/20/96/1425562096.db2.gz MPDMGDPZDSNNQA-DDABTOOBSA-N 1 3 345.531 3.161 10 0 EGAEHO CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001725250990 1425871875 /nfs/dbraw/zinc/87/18/75/1425871875.db2.gz YJFJGUNRGDPQKW-SUVIQUNHSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001725363355 1426013393 /nfs/dbraw/zinc/01/33/93/1426013393.db2.gz FZESJEYUHBHFJR-VAMGGRTRSA-N 1 3 349.563 3.314 10 0 EGAEHO CC[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC(C)C1 ZINC001731319358 1427259770 /nfs/dbraw/zinc/25/97/70/1427259770.db2.gz KRQPWYBUFOTUSI-CTWPCTMYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)CC1CC(C)C1 ZINC001731319358 1427259775 /nfs/dbraw/zinc/25/97/75/1427259775.db2.gz KRQPWYBUFOTUSI-CTWPCTMYSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391597 1427343833 /nfs/dbraw/zinc/34/38/33/1427343833.db2.gz HMQSNAVDHQPFHE-VQTJNVASSA-N 1 3 349.563 3.314 10 0 EGAEHO CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001731434788 1427415839 /nfs/dbraw/zinc/41/58/39/1427415839.db2.gz BHDUVIILAAMHTI-HMTUNPETSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1F ZINC001731486201 1427461419 /nfs/dbraw/zinc/46/14/19/1427461419.db2.gz KJLCFBLGQWGHQZ-OAGGEKHMSA-N 1 3 349.494 3.101 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001731505254 1427489806 /nfs/dbraw/zinc/48/98/06/1427489806.db2.gz TUAWOQCGWZSIJS-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001731505254 1427489807 /nfs/dbraw/zinc/48/98/07/1427489807.db2.gz TUAWOQCGWZSIJS-CQQBRXBZSA-N 1 3 335.536 3.044 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603844 1429812962 /nfs/dbraw/zinc/81/29/62/1429812962.db2.gz UXOXJARDQXMGNV-MBZYTVFJSA-N 1 3 344.503 3.109 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001733603844 1429812970 /nfs/dbraw/zinc/81/29/70/1429812970.db2.gz UXOXJARDQXMGNV-MBZYTVFJSA-N 1 3 344.503 3.109 10 0 EGAEHO CCC1([NH2+]CC2CCCC2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001733803813 1430072485 /nfs/dbraw/zinc/07/24/85/1430072485.db2.gz MRUPZNCQEAHPJO-UHFFFAOYSA-N 1 3 335.536 3.022 10 0 EGAEHO C[C@H](c1ccccc1F)N1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877433 1437704895 /nfs/dbraw/zinc/70/48/95/1437704895.db2.gz YYZAKWBGLVKVHN-CRAIPNDOSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941031 1437757231 /nfs/dbraw/zinc/75/72/31/1437757231.db2.gz NGTWTTRJAMTXSZ-ROUUACIJSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941031 1437757234 /nfs/dbraw/zinc/75/72/34/1437757234.db2.gz NGTWTTRJAMTXSZ-ROUUACIJSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941032 1437757417 /nfs/dbraw/zinc/75/74/17/1437757417.db2.gz NGTWTTRJAMTXSZ-ZWKOTPCHSA-N 1 3 346.519 3.093 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733941032 1437757418 /nfs/dbraw/zinc/75/74/18/1437757418.db2.gz NGTWTTRJAMTXSZ-ZWKOTPCHSA-N 1 3 346.519 3.093 10 0 EGAEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001734057435 1437849176 /nfs/dbraw/zinc/84/91/76/1437849176.db2.gz GPHLZMLTUMRZEM-APWZRJJASA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC001734057435 1437849179 /nfs/dbraw/zinc/84/91/79/1437849179.db2.gz GPHLZMLTUMRZEM-APWZRJJASA-N 1 3 349.494 3.025 10 0 EGAEHO CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734058685 1437850616 /nfs/dbraw/zinc/85/06/16/1437850616.db2.gz LHRXDDZPSKOGHM-ZWKOTPCHSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734058685 1437850626 /nfs/dbraw/zinc/85/06/26/1437850626.db2.gz LHRXDDZPSKOGHM-ZWKOTPCHSA-N 1 3 325.541 3.124 10 0 EGAEHO Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001734253266 1437967944 /nfs/dbraw/zinc/96/79/44/1437967944.db2.gz URMKYPZWNWYNPK-IEBWSBKVSA-N 1 3 345.531 3.020 10 0 EGAEHO CC[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CCCCC1 ZINC001734299576 1438030710 /nfs/dbraw/zinc/03/07/10/1438030710.db2.gz CDTHKPZYPXBJHR-FUHWJXTLSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001734425564 1438091325 /nfs/dbraw/zinc/09/13/25/1438091325.db2.gz BYEQWPXZIGCYKI-FXAWDEMLSA-N 1 3 345.531 3.058 10 0 EGAEHO CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1 ZINC001734425570 1438091410 /nfs/dbraw/zinc/09/14/10/1438091410.db2.gz BYEQWPXZIGCYKI-YLJYHZDGSA-N 1 3 345.531 3.058 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001734550552 1438147703 /nfs/dbraw/zinc/14/77/03/1438147703.db2.gz IETONHXWNFRZKG-OALUTQOASA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001734550552 1438147704 /nfs/dbraw/zinc/14/77/04/1438147704.db2.gz IETONHXWNFRZKG-OALUTQOASA-N 1 3 345.531 3.258 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC001734575109 1438168429 /nfs/dbraw/zinc/16/84/29/1438168429.db2.gz GMMLPTWVMLQWTB-XGCMIMOYSA-N 1 3 345.531 3.161 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CCC(C)(C)C)C1 ZINC001750933128 1440114179 /nfs/dbraw/zinc/11/41/79/1440114179.db2.gz YVAXLUZCBFUOPB-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CCC(C)(C)C)C1 ZINC001750933128 1440114180 /nfs/dbraw/zinc/11/41/80/1440114180.db2.gz YVAXLUZCBFUOPB-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@H](C)C1 ZINC000266073753 248079108 /nfs/dbraw/zinc/07/91/08/248079108.db2.gz KXJDVPNLPQGNPC-XLIONFOSSA-N 1 3 343.515 3.085 10 0 EGAEHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@H](C)C1 ZINC000266073753 248079111 /nfs/dbraw/zinc/07/91/11/248079111.db2.gz KXJDVPNLPQGNPC-XLIONFOSSA-N 1 3 343.515 3.085 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454282 141299674 /nfs/dbraw/zinc/29/96/74/141299674.db2.gz JNJQVAYHSKLJRT-CADBVGFASA-N 1 3 331.504 3.269 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454282 141299675 /nfs/dbraw/zinc/29/96/75/141299675.db2.gz JNJQVAYHSKLJRT-CADBVGFASA-N 1 3 331.504 3.269 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353454282 141299676 /nfs/dbraw/zinc/29/96/76/141299676.db2.gz JNJQVAYHSKLJRT-CADBVGFASA-N 1 3 331.504 3.269 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)o1 ZINC000353494360 292255463 /nfs/dbraw/zinc/25/54/63/292255463.db2.gz BOYVXNJVCITSCN-RDGPPVDQSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)o1 ZINC000353494360 292255465 /nfs/dbraw/zinc/25/54/65/292255465.db2.gz BOYVXNJVCITSCN-RDGPPVDQSA-N 1 3 331.504 3.187 10 0 EGAEHO Cc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)N2CCCC2)o1 ZINC000353494360 292255467 /nfs/dbraw/zinc/25/54/67/292255467.db2.gz BOYVXNJVCITSCN-RDGPPVDQSA-N 1 3 331.504 3.187 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310071709 154138151 /nfs/dbraw/zinc/13/81/51/154138151.db2.gz ACKOZLLJAXITGS-RMVXJAJNSA-N 1 3 329.532 3.217 10 0 EGAEHO O[C@H](CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000311193317 154146820 /nfs/dbraw/zinc/14/68/20/154146820.db2.gz FHMWNJMNZPDFSR-YPAWHYETSA-N 1 3 336.479 3.174 10 0 EGAEHO O[C@H](CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000311193317 154146821 /nfs/dbraw/zinc/14/68/21/154146821.db2.gz FHMWNJMNZPDFSR-YPAWHYETSA-N 1 3 336.479 3.174 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](COC)C2)CC1 ZINC000093337710 162003488 /nfs/dbraw/zinc/00/34/88/162003488.db2.gz YVIOJPJKDVCUBM-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](COC)C2)CC1 ZINC000093337710 162003493 /nfs/dbraw/zinc/00/34/93/162003493.db2.gz YVIOJPJKDVCUBM-IBGZPJMESA-N 1 3 345.531 3.077 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248990831 163049478 /nfs/dbraw/zinc/04/94/78/163049478.db2.gz NHVHKZNIZXBPMF-MXEMCNAFSA-N 1 3 327.516 3.113 10 0 EGAEHO CC[N@H+](CCC1CC[NH+](Cc2nc(C)ccc2[O-])CC1)CC1CC1 ZINC000355899932 166341398 /nfs/dbraw/zinc/34/13/98/166341398.db2.gz JVYGOLAATRUFPC-UHFFFAOYSA-N 1 3 331.504 3.430 10 0 EGAEHO CC[N@@H+](CCC1CC[NH+](Cc2nc(C)ccc2[O-])CC1)CC1CC1 ZINC000355899932 166341402 /nfs/dbraw/zinc/34/14/02/166341402.db2.gz JVYGOLAATRUFPC-UHFFFAOYSA-N 1 3 331.504 3.430 10 0 EGAEHO CC(C)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000359226877 167101656 /nfs/dbraw/zinc/10/16/56/167101656.db2.gz GQZWEGLPIPMRCR-RTWAWAEBSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000359226877 167101657 /nfs/dbraw/zinc/10/16/57/167101657.db2.gz GQZWEGLPIPMRCR-RTWAWAEBSA-N 1 3 339.483 3.135 10 0 EGAEHO Cc1cccc2c1ncc(C)c2N1CCC(OCC[NH+](C)C)CC1 ZINC000360665230 167382355 /nfs/dbraw/zinc/38/23/55/167382355.db2.gz KAYLRCGLFUSUJG-UHFFFAOYSA-N 1 3 327.472 3.399 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000367638814 168253746 /nfs/dbraw/zinc/25/37/46/168253746.db2.gz QUUXCKAXLLMCPG-ZCNNSNEGSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000367638814 168253748 /nfs/dbraw/zinc/25/37/48/168253748.db2.gz QUUXCKAXLLMCPG-ZCNNSNEGSA-N 1 3 342.531 3.280 10 0 EGAEHO CC1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000367638814 168253749 /nfs/dbraw/zinc/25/37/49/168253749.db2.gz QUUXCKAXLLMCPG-ZCNNSNEGSA-N 1 3 342.531 3.280 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000368313774 287264638 /nfs/dbraw/zinc/26/46/38/287264638.db2.gz APEZKKZZRWCNIU-GOSISDBHSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000368313774 287264641 /nfs/dbraw/zinc/26/46/41/287264641.db2.gz APEZKKZZRWCNIU-GOSISDBHSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000279767417 275357692 /nfs/dbraw/zinc/35/76/92/275357692.db2.gz SDHYVHLLOQGLCH-CZAAIQMYSA-N 1 3 326.484 3.158 10 0 EGAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC000279767417 275357694 /nfs/dbraw/zinc/35/76/94/275357694.db2.gz SDHYVHLLOQGLCH-CZAAIQMYSA-N 1 3 326.484 3.158 10 0 EGAEHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(C)c(OC)c(C)c2)C1 ZINC000354097141 276100326 /nfs/dbraw/zinc/10/03/26/276100326.db2.gz OCIIEFXUDXTFNS-LJQANCHMSA-N 1 3 334.504 3.245 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000343449298 276262721 /nfs/dbraw/zinc/26/27/21/276262721.db2.gz WARBPICCHZBRAC-WIYYLYMNSA-N 1 3 345.531 3.075 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000343449298 276262723 /nfs/dbraw/zinc/26/27/23/276262723.db2.gz WARBPICCHZBRAC-WIYYLYMNSA-N 1 3 345.531 3.075 10 0 EGAEHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124672849 307550386 /nfs/dbraw/zinc/55/03/86/307550386.db2.gz VXKLQJUBXHOUQO-WIYYLYMNSA-N 1 3 341.543 3.460 10 0 EGAEHO CC[N@@H+]1CC[C@@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H](C)C1 ZINC000249073206 308018275 /nfs/dbraw/zinc/01/82/75/308018275.db2.gz KCPVECSVZGCZLY-HNAYVOBHSA-N 1 3 335.923 3.018 10 0 EGAEHO CC[N@H+]1CC[C@@H](NCCN2CCc3c(Cl)cccc3C2)[C@@H](C)C1 ZINC000249073206 308018276 /nfs/dbraw/zinc/01/82/76/308018276.db2.gz KCPVECSVZGCZLY-HNAYVOBHSA-N 1 3 335.923 3.018 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000414498016 309084608 /nfs/dbraw/zinc/08/46/08/309084608.db2.gz LXJSAZOCVBJOLG-SJLPKXTDSA-N 1 3 333.545 3.202 10 0 EGAEHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414762986 309099275 /nfs/dbraw/zinc/09/92/75/309099275.db2.gz WVXTXFTWSWODQM-HFSMHLIXSA-N 1 3 344.499 3.015 10 0 EGAEHO Fc1ccc(OCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000415078658 309118751 /nfs/dbraw/zinc/11/87/51/309118751.db2.gz GRJBRSOUSROMHF-AEFFLSMTSA-N 1 3 332.394 3.427 10 0 EGAEHO Fc1cccc(F)c1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415085350 309119408 /nfs/dbraw/zinc/11/94/08/309119408.db2.gz PZEKCNQIMFDSCK-IHETXDGRSA-N 1 3 335.442 3.054 10 0 EGAEHO FC(F)(F)c1cccc(CN2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC000415106780 309120674 /nfs/dbraw/zinc/12/06/74/309120674.db2.gz NHCUVBBZPVDJKY-UHFFFAOYSA-N 1 3 341.421 3.011 10 0 EGAEHO FC(F)(F)c1cccc(CN2CCC(NC3CC[NH2+]CC3)CC2)c1 ZINC000415106780 309120675 /nfs/dbraw/zinc/12/06/75/309120675.db2.gz NHCUVBBZPVDJKY-UHFFFAOYSA-N 1 3 341.421 3.011 10 0 EGAEHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119530 309121647 /nfs/dbraw/zinc/12/16/47/309121647.db2.gz FPKJAJBNVCECCZ-TZIWHRDSSA-N 1 3 344.499 3.194 10 0 EGAEHO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)CNC2)CC(C)C ZINC000416015704 309154751 /nfs/dbraw/zinc/15/47/51/309154751.db2.gz UFJMZHOQVXQMDO-SFHVURJKSA-N 1 3 332.492 3.168 10 0 EGAEHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417528161 309209433 /nfs/dbraw/zinc/20/94/33/309209433.db2.gz FBBSHAWOKJBNFQ-SCTDSRPQSA-N 1 3 346.519 3.029 10 0 EGAEHO COc1cccc(-c2ccc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422794391 309368738 /nfs/dbraw/zinc/36/87/38/309368738.db2.gz UGAOULMTBKFFNZ-ONGXBYRLSA-N 1 3 340.467 3.204 10 0 EGAEHO CC[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1ccccc1F ZINC000422814991 309369975 /nfs/dbraw/zinc/36/99/75/309369975.db2.gz ALNVIBXXFSTHSU-CJNGLKHVSA-N 1 3 331.435 3.496 10 0 EGAEHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000422923225 309376193 /nfs/dbraw/zinc/37/61/93/309376193.db2.gz VIYSGEAQWJRPPS-UYVPSMGWSA-N 1 3 325.456 3.453 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937829 309377087 /nfs/dbraw/zinc/37/70/87/309377087.db2.gz OZTAROYVXYSVKD-TZIWHRDSSA-N 1 3 342.483 3.437 10 0 EGAEHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096998 309385693 /nfs/dbraw/zinc/38/56/93/309385693.db2.gz QFVWYJNRBSQCSG-XFUTXVRSSA-N 1 3 334.891 3.333 10 0 EGAEHO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000423176256 309389111 /nfs/dbraw/zinc/38/91/11/309389111.db2.gz FYYLRSBBZQENAK-RISOHXOYSA-N 1 3 325.456 3.312 10 0 EGAEHO COc1ccc2c(c1)[C@H](NCCC[NH2+]Cc1cccnc1)CCC2 ZINC000423192689 309389825 /nfs/dbraw/zinc/38/98/25/309389825.db2.gz VTCMNFSGSZDXSO-HXUWFJFHSA-N 1 3 325.456 3.237 10 0 EGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423276931 309393841 /nfs/dbraw/zinc/39/38/41/309393841.db2.gz NPQDGOPZYPZXQW-JRSUCEMESA-N 1 3 327.516 3.289 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCC(=O)NC2CC2)CC1 ZINC000449084231 310035650 /nfs/dbraw/zinc/03/56/50/310035650.db2.gz XBMIPWNQNPKHIP-UHFFFAOYSA-N 1 3 337.552 3.314 10 0 EGAEHO CN(c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CCN(C)CC1 ZINC000449740966 310083480 /nfs/dbraw/zinc/08/34/80/310083480.db2.gz IIXNFJGVWVVFPX-ICSRJNTNSA-N 1 3 327.516 3.353 10 0 EGAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453059149 310255208 /nfs/dbraw/zinc/25/52/08/310255208.db2.gz IJYFXGJEYICHJJ-CIAFKFPVSA-N 1 3 341.543 3.361 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505801 312212226 /nfs/dbraw/zinc/21/22/26/312212226.db2.gz MICQJNFQWCOTPQ-IEBWSBKVSA-N 1 3 339.483 3.486 10 0 EGAEHO Cc1ccc([O-])c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000513505801 312212228 /nfs/dbraw/zinc/21/22/28/312212228.db2.gz MICQJNFQWCOTPQ-IEBWSBKVSA-N 1 3 339.483 3.486 10 0 EGAEHO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCN4CCCC[C@H]34)CC23CC3)cc1 ZINC000514602635 312233724 /nfs/dbraw/zinc/23/37/24/312233724.db2.gz IANQUPNKARATHT-PWRODBHTSA-N 1 3 339.527 3.400 10 0 EGAEHO Cc1ccc(NC(=O)C2(CN[C@H]3CCC[C@@H]3[NH3+])CCCC2)cc1C ZINC000516642936 312334815 /nfs/dbraw/zinc/33/48/15/312334815.db2.gz FJLQQFMIWMJZQR-ROUUACIJSA-N 1 3 329.488 3.272 10 0 EGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029357 312359775 /nfs/dbraw/zinc/35/97/75/312359775.db2.gz JSIWNBBPKVSCGV-PMACEKPBSA-N 1 3 327.516 3.115 10 0 EGAEHO CC[NH+]1CCC(CN[C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527857644 312959335 /nfs/dbraw/zinc/95/93/35/312959335.db2.gz DCMIJLLZFBIKTK-MRXNPFEDSA-N 1 3 326.488 3.470 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064487 314022417 /nfs/dbraw/zinc/02/24/17/314022417.db2.gz VINNNWPTFJGDJN-UONOGXRCSA-N 1 3 327.875 3.156 10 0 EGAEHO CC(C)C[C@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000537447555 314181725 /nfs/dbraw/zinc/18/17/25/314181725.db2.gz ZUDKTNSTOYRZLE-PBHICJAKSA-N 1 3 339.911 3.083 10 0 EGAEHO COc1ccc(F)c(CNCCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000555547805 315389400 /nfs/dbraw/zinc/38/94/00/315389400.db2.gz ZFTVUPBTBVBDJM-UHFFFAOYSA-N 1 3 346.446 3.107 10 0 EGAEHO CN1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000570310202 317038339 /nfs/dbraw/zinc/03/83/39/317038339.db2.gz QRGIAFURLCUYIH-AEGPPILISA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000570310202 317038341 /nfs/dbraw/zinc/03/83/41/317038341.db2.gz QRGIAFURLCUYIH-AEGPPILISA-N 1 3 344.286 3.230 10 0 EGAEHO C[N@H+]1CC[C@H](NCCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000570310202 317038342 /nfs/dbraw/zinc/03/83/42/317038342.db2.gz QRGIAFURLCUYIH-AEGPPILISA-N 1 3 344.286 3.230 10 0 EGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623440427 460551466 /nfs/dbraw/zinc/55/14/66/460551466.db2.gz VOIHYSBMAQDRJQ-RLLQIKCJSA-N 1 3 329.532 3.359 10 0 EGAEHO CN1CC[C@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507064 460587710 /nfs/dbraw/zinc/58/77/10/460587710.db2.gz WFPHUQSRVJDQQZ-OALUTQOASA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@@H+]1CC[C@H](NC[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507064 460587716 /nfs/dbraw/zinc/58/77/16/460587716.db2.gz WFPHUQSRVJDQQZ-OALUTQOASA-N 1 3 347.572 3.066 10 0 EGAEHO C[N@H+]1CC[C@H](NC[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507064 460587723 /nfs/dbraw/zinc/58/77/23/460587723.db2.gz WFPHUQSRVJDQQZ-OALUTQOASA-N 1 3 347.572 3.066 10 0 EGAEHO CN(Cc1ccccc1OCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000075738527 453923217 /nfs/dbraw/zinc/92/32/17/453923217.db2.gz LUFDKFFBXYRBOO-UHFFFAOYSA-N 1 3 330.394 3.401 10 0 EGAEHO CC(C)c1ccccc1OC[C@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056523024 454064518 /nfs/dbraw/zinc/06/45/18/454064518.db2.gz GGJNMPUXSXENKL-LJQANCHMSA-N 1 3 348.531 3.213 10 0 EGAEHO Cc1ccc(NC(=O)CCNC2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000097082150 454401109 /nfs/dbraw/zinc/40/11/09/454401109.db2.gz ZVBNUJHSNIQUPK-UHFFFAOYSA-N 1 3 337.895 3.439 10 0 EGAEHO Cc1ccc(CN(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000121163341 454401418 /nfs/dbraw/zinc/40/14/18/454401418.db2.gz VNMDDRIVUWBBNI-NRFANRHFSA-N 1 3 342.483 3.465 10 0 EGAEHO C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N(C)C1CC1 ZINC000245671708 455352654 /nfs/dbraw/zinc/35/26/54/455352654.db2.gz HLABVCPMWARIRF-DWIQEWEKSA-N 1 3 327.516 3.254 10 0 EGAEHO CN1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000245764158 455375189 /nfs/dbraw/zinc/37/51/89/455375189.db2.gz WASIGCXEHVAHAI-XSDIEEQYSA-N 1 3 327.516 3.113 10 0 EGAEHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000247122958 455562940 /nfs/dbraw/zinc/56/29/40/455562940.db2.gz AMNIKKSRUVHDSA-HHXCZETCSA-N 1 3 327.516 3.254 10 0 EGAEHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000248178087 455694805 /nfs/dbraw/zinc/69/48/05/455694805.db2.gz VYYRENNSYRKYHC-DWRORGKVSA-N 1 3 335.561 3.451 10 0 EGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000268746468 455712973 /nfs/dbraw/zinc/71/29/73/455712973.db2.gz HUBNJVKMOBLGEZ-UWJYYQICSA-N 1 3 327.516 3.113 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000250103292 455784502 /nfs/dbraw/zinc/78/45/02/455784502.db2.gz RTHZYOGYCFTYBW-VAMGGRTRSA-N 1 3 328.500 3.039 10 0 EGAEHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)C[C@@H]1CCC=CO1 ZINC000193903560 455786263 /nfs/dbraw/zinc/78/62/63/455786263.db2.gz KDFQHRKCGUBECY-SFTDATJTSA-N 1 3 344.499 3.057 10 0 EGAEHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)C[C@@H]1CCC=CO1 ZINC000193903560 455786265 /nfs/dbraw/zinc/78/62/65/455786265.db2.gz KDFQHRKCGUBECY-SFTDATJTSA-N 1 3 344.499 3.057 10 0 EGAEHO Cc1noc(CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000272413743 455942537 /nfs/dbraw/zinc/94/25/37/455942537.db2.gz LWJWXERIPMPEPQ-REPLKXPHSA-N 1 3 340.471 3.096 10 0 EGAEHO Cc1noc(CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000272413743 455942539 /nfs/dbraw/zinc/94/25/39/455942539.db2.gz LWJWXERIPMPEPQ-REPLKXPHSA-N 1 3 340.471 3.096 10 0 EGAEHO c1ccc(CN2CC[C@H](N3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000271238378 456187193 /nfs/dbraw/zinc/18/71/93/456187193.db2.gz DDZIGDAHRXAXNP-NRFANRHFSA-N 1 3 327.516 3.211 10 0 EGAEHO CC(C)[NH+]1CCC(N2CCN(C[C@H](C)Cc3ccccc3)CC2)CC1 ZINC000273180111 456204370 /nfs/dbraw/zinc/20/43/70/456204370.db2.gz GUPAKLIXILNDHE-HXUWFJFHSA-N 1 3 343.559 3.356 10 0 EGAEHO C[C@@H]1C[C@@H](NCc2ccc3cncn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000297529317 456244297 /nfs/dbraw/zinc/24/42/97/456244297.db2.gz NWDGPNREZLKMJE-XLIONFOSSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@@H]1C[C@@H](NCc2ccc3cncn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297529317 456244300 /nfs/dbraw/zinc/24/43/00/456244300.db2.gz NWDGPNREZLKMJE-XLIONFOSSA-N 1 3 334.467 3.477 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cncn3c2)CCN1Cc1ccccc1 ZINC000297529317 456244303 /nfs/dbraw/zinc/24/43/03/456244303.db2.gz NWDGPNREZLKMJE-XLIONFOSSA-N 1 3 334.467 3.477 10 0 EGAEHO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000276396363 456467498 /nfs/dbraw/zinc/46/74/98/456467498.db2.gz GGSFUYKDTRPGDN-UHFFFAOYSA-N 1 3 343.515 3.230 10 0 EGAEHO COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](CN(C)C)C3)CCC2)c1 ZINC000343317519 456526502 /nfs/dbraw/zinc/52/65/02/456526502.db2.gz VQFPVGICUALTGZ-IBGZPJMESA-N 1 3 346.515 3.266 10 0 EGAEHO COCc1cccc(OCC2(C[N@H+]3CC[C@@H](CN(C)C)C3)CCC2)c1 ZINC000343317519 456526506 /nfs/dbraw/zinc/52/65/06/456526506.db2.gz VQFPVGICUALTGZ-IBGZPJMESA-N 1 3 346.515 3.266 10 0 EGAEHO COCc1cccc(OCC2(CN3CC[C@@H](C[NH+](C)C)C3)CCC2)c1 ZINC000343317519 456526512 /nfs/dbraw/zinc/52/65/12/456526512.db2.gz VQFPVGICUALTGZ-IBGZPJMESA-N 1 3 346.515 3.266 10 0 EGAEHO FC(F)(F)OCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000353314016 456631322 /nfs/dbraw/zinc/63/13/22/456631322.db2.gz LQJDHRVMJOFPTF-MQVJKMGUSA-N 1 3 328.378 3.308 10 0 EGAEHO FC(F)(F)OCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000353314016 456631328 /nfs/dbraw/zinc/63/13/28/456631328.db2.gz LQJDHRVMJOFPTF-MQVJKMGUSA-N 1 3 328.378 3.308 10 0 EGAEHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000337986498 456639442 /nfs/dbraw/zinc/63/94/42/456639442.db2.gz DJJDWHIOTHMHRP-NHCUHLMSSA-N 1 3 327.516 3.102 10 0 EGAEHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CNCc2ccccc21 ZINC000327266146 456705479 /nfs/dbraw/zinc/70/54/79/456705479.db2.gz RBNDJVLTNPLDEC-FQEVSTJZSA-N 1 3 335.451 3.108 10 0 EGAEHO C[NH+](C)CCOC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000353520994 456731833 /nfs/dbraw/zinc/73/18/33/456731833.db2.gz QPRFMYILBWFXGE-UHFFFAOYSA-N 1 3 332.488 3.018 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(CC)C2)c2ccccc21 ZINC000283199440 456734767 /nfs/dbraw/zinc/73/47/67/456734767.db2.gz LGAVMFXACUJPQP-IPELMVKDSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199440 456734772 /nfs/dbraw/zinc/73/47/72/456734772.db2.gz LGAVMFXACUJPQP-IPELMVKDSA-N 1 3 330.472 3.100 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H]2CC[N@@H+](CC)C2)c2ccccc21 ZINC000283199440 456734778 /nfs/dbraw/zinc/73/47/78/456734778.db2.gz LGAVMFXACUJPQP-IPELMVKDSA-N 1 3 330.472 3.100 10 0 EGAEHO CN1CCC([C@@H]2CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)CC1 ZINC000349189605 456908332 /nfs/dbraw/zinc/90/83/32/456908332.db2.gz MCRGXABCVVCOEG-MRXNPFEDSA-N 1 3 330.501 3.098 10 0 EGAEHO CN1CCC([C@@H]2CC[N@@H+](Cc3cc(-n4ccnc4)cs3)C2)CC1 ZINC000349189605 456908337 /nfs/dbraw/zinc/90/83/37/456908337.db2.gz MCRGXABCVVCOEG-MRXNPFEDSA-N 1 3 330.501 3.098 10 0 EGAEHO CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)N(CC)CC ZINC000345799512 456994701 /nfs/dbraw/zinc/99/47/01/456994701.db2.gz NJLHDHDAZGRNAT-LJQANCHMSA-N 1 3 333.520 3.263 10 0 EGAEHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)N(CC)CC ZINC000345799512 456994704 /nfs/dbraw/zinc/99/47/04/456994704.db2.gz NJLHDHDAZGRNAT-LJQANCHMSA-N 1 3 333.520 3.263 10 0 EGAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000355598380 457392931 /nfs/dbraw/zinc/39/29/31/457392931.db2.gz JGZJVKUIFPJWBU-LMMKCTJWSA-N 1 3 348.535 3.016 10 0 EGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412692 457541055 /nfs/dbraw/zinc/54/10/55/457541055.db2.gz BYUDJSWJBAQNBH-MJGOQNOKSA-N 1 3 349.563 3.362 10 0 EGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412692 457541057 /nfs/dbraw/zinc/54/10/57/457541057.db2.gz BYUDJSWJBAQNBH-MJGOQNOKSA-N 1 3 349.563 3.362 10 0 EGAEHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)CC2 ZINC000423523517 458451140 /nfs/dbraw/zinc/45/11/40/458451140.db2.gz IMCDFFRLUZXIQH-HKIBHVNGSA-N 1 3 340.511 3.296 10 0 EGAEHO COc1ccc2c(c1)C[C@@H](NCC1([NH3+])C3CC4CC(C3)CC1C4)CC2 ZINC000423523517 458451144 /nfs/dbraw/zinc/45/11/44/458451144.db2.gz IMCDFFRLUZXIQH-HKIBHVNGSA-N 1 3 340.511 3.296 10 0 EGAEHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000373698682 458575806 /nfs/dbraw/zinc/57/58/06/458575806.db2.gz FNRCTMMQBYDBAY-VAMGGRTRSA-N 1 3 346.515 3.312 10 0 EGAEHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876332 458662909 /nfs/dbraw/zinc/66/29/09/458662909.db2.gz DMTRSZPIHFZAHP-QWHCGFSZSA-N 1 3 335.398 3.461 10 0 EGAEHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc(OC(F)F)ccc2n1 ZINC000462876332 458662914 /nfs/dbraw/zinc/66/29/14/458662914.db2.gz DMTRSZPIHFZAHP-QWHCGFSZSA-N 1 3 335.398 3.461 10 0 EGAEHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533409 458876005 /nfs/dbraw/zinc/87/60/05/458876005.db2.gz YVYPGTDXDAUISB-QUCCMNQESA-N 1 3 327.516 3.115 10 0 EGAEHO C[C@@H]([NH2+]CC1(N)CCCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000520216667 459039959 /nfs/dbraw/zinc/03/99/59/459039959.db2.gz KQTFUUFUOHIIIO-UYAOXDASSA-N 1 3 345.531 3.090 10 0 EGAEHO CSCc1cc(F)ccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594496125 459060420 /nfs/dbraw/zinc/06/04/20/459060420.db2.gz HZHSRNHOOCCSAG-SFHVURJKSA-N 1 3 338.492 3.032 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@H](C)[C@@H]3C)CC2)CC1 ZINC000520607198 459077462 /nfs/dbraw/zinc/07/74/62/459077462.db2.gz BLJXYCLSLPCIHC-SQNIBIBYSA-N 1 3 349.563 3.076 10 0 EGAEHO C[C@@H]([NH2+]C1(CN[C@@H]2CCC(=O)NC2(C)C)CCCC1)c1ccccc1 ZINC000577812914 459097527 /nfs/dbraw/zinc/09/75/27/459097527.db2.gz AWNRUORZZJAXQN-SJLPKXTDSA-N 1 3 343.515 3.297 10 0 EGAEHO CCC[N@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000568050755 459214499 /nfs/dbraw/zinc/21/44/99/459214499.db2.gz DVRHGIGYACLHBQ-AQNXPRMDSA-N 1 3 328.500 3.358 10 0 EGAEHO CCC[N@@H+](Cc1ccc2c(c1)CNCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000568050755 459214509 /nfs/dbraw/zinc/21/45/09/459214509.db2.gz DVRHGIGYACLHBQ-AQNXPRMDSA-N 1 3 328.500 3.358 10 0 EGAEHO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501849891 459749327 /nfs/dbraw/zinc/74/93/27/459749327.db2.gz IWNKYYZIDIMNAA-HXUWFJFHSA-N 1 3 331.548 3.274 10 0 EGAEHO Cc1ccccc1C[C@@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000501849891 459749333 /nfs/dbraw/zinc/74/93/33/459749333.db2.gz IWNKYYZIDIMNAA-HXUWFJFHSA-N 1 3 331.548 3.274 10 0 EGAEHO CC[C@H](NCc1ccccc1C[NH2+]C)c1ccc(C(=O)OC)cc1 ZINC000593323055 459841103 /nfs/dbraw/zinc/84/11/03/459841103.db2.gz OSJHMLZJXFJUHK-IBGZPJMESA-N 1 3 326.440 3.434 10 0 EGAEHO COc1cccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338126 460495340 /nfs/dbraw/zinc/49/53/40/460495340.db2.gz MIKXSOZIMFAMDP-AZUAARDMSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338126 460495346 /nfs/dbraw/zinc/49/53/46/460495346.db2.gz MIKXSOZIMFAMDP-AZUAARDMSA-N 1 3 345.531 3.295 10 0 EGAEHO COc1cccc([C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)N2CCCC2)c1 ZINC000623338126 460495352 /nfs/dbraw/zinc/49/53/52/460495352.db2.gz MIKXSOZIMFAMDP-AZUAARDMSA-N 1 3 345.531 3.295 10 0 EGAEHO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623341097 460497563 /nfs/dbraw/zinc/49/75/63/460497563.db2.gz NKMKYFZVZITMAU-KRWDZBQOSA-N 1 3 326.488 3.452 10 0 EGAEHO CC[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347945 460502937 /nfs/dbraw/zinc/50/29/37/460502937.db2.gz MOYQGRSRMUQEQX-WOJBJXKFSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347945 460502940 /nfs/dbraw/zinc/50/29/40/460502940.db2.gz MOYQGRSRMUQEQX-WOJBJXKFSA-N 1 3 329.532 3.286 10 0 EGAEHO CC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc2C1 ZINC000623347945 460502945 /nfs/dbraw/zinc/50/29/45/460502945.db2.gz MOYQGRSRMUQEQX-WOJBJXKFSA-N 1 3 329.532 3.286 10 0 EGAEHO CCN(CC)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355040 460507277 /nfs/dbraw/zinc/50/72/77/460507277.db2.gz VOXFURYLDZCXDM-VQTJNVASSA-N 1 3 331.548 3.402 10 0 EGAEHO CCN(CC)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355040 460507284 /nfs/dbraw/zinc/50/72/84/460507284.db2.gz VOXFURYLDZCXDM-VQTJNVASSA-N 1 3 331.548 3.402 10 0 EGAEHO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000623378666 460517610 /nfs/dbraw/zinc/51/76/10/460517610.db2.gz KWJKWKKEWIEPDS-NVXWUHKLSA-N 1 3 329.488 3.337 10 0 EGAEHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000623879266 460759054 /nfs/dbraw/zinc/75/90/54/460759054.db2.gz BSRZHWALMQDADU-LAUBAEHRSA-N 1 3 346.515 3.454 10 0 EGAEHO CCN1CCN(c2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)c(C)c2)CC1 ZINC000623929346 460783432 /nfs/dbraw/zinc/78/34/32/460783432.db2.gz ZECAZACEYFVQFC-GOSISDBHSA-N 1 3 344.547 3.422 10 0 EGAEHO CCN1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)c(C)c2)CC1 ZINC000623929346 460783438 /nfs/dbraw/zinc/78/34/38/460783438.db2.gz ZECAZACEYFVQFC-GOSISDBHSA-N 1 3 344.547 3.422 10 0 EGAEHO C[C@@H](NCCOCCC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000629536014 460799306 /nfs/dbraw/zinc/79/93/06/460799306.db2.gz DPZWYNUGPIIBHE-CYBMUJFWSA-N 1 3 338.398 3.457 10 0 EGAEHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCCCO1 ZINC000623979637 460807881 /nfs/dbraw/zinc/80/78/81/460807881.db2.gz HVWDVSMYDYGTLO-JXFKEZNVSA-N 1 3 332.488 3.207 10 0 EGAEHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H](C)CN(C)C ZINC000623987849 460811632 /nfs/dbraw/zinc/81/16/32/460811632.db2.gz QDMPRJYZLSHTKB-WDEREUQCSA-N 1 3 337.817 3.472 10 0 EGAEHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@H](C)C[NH+](C)C ZINC000623987849 460811638 /nfs/dbraw/zinc/81/16/38/460811638.db2.gz QDMPRJYZLSHTKB-WDEREUQCSA-N 1 3 337.817 3.472 10 0 EGAEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(C)(C)CC)CC2)CC1 ZINC000617568702 460913042 /nfs/dbraw/zinc/91/30/42/460913042.db2.gz IVIKTUBMEIGWIC-INIZCTEOSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(c1ccccc1C[NH2+]CC[C@H]1CC1(F)F)C1CCN(C)CC1 ZINC000621378349 461014956 /nfs/dbraw/zinc/01/49/56/461014956.db2.gz UVVZNDPYKFJAPL-INIZCTEOSA-N 1 3 337.458 3.352 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCOc2cccc(Cl)c2)C1 ZINC000652360328 461154011 /nfs/dbraw/zinc/15/40/11/461154011.db2.gz FLYMBDHZPWSDBY-NJAFHUGGSA-N 1 3 338.879 3.080 10 0 EGAEHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(-n2cccn2)c1 ZINC000662284693 461165822 /nfs/dbraw/zinc/16/58/22/461165822.db2.gz ZLUIPBAXYUWZKD-INIZCTEOSA-N 1 3 332.451 3.369 10 0 EGAEHO C[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000668625820 461358117 /nfs/dbraw/zinc/35/81/17/461358117.db2.gz BYGHYQKOXNYUPY-MSOLQXFVSA-N 1 3 345.531 3.216 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000659873022 461472940 /nfs/dbraw/zinc/47/29/40/461472940.db2.gz JCRIUAZSEWURNB-SFHVURJKSA-N 1 3 338.442 3.255 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000659873022 461472944 /nfs/dbraw/zinc/47/29/44/461472944.db2.gz JCRIUAZSEWURNB-SFHVURJKSA-N 1 3 338.442 3.255 10 0 EGAEHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000631073762 461526197 /nfs/dbraw/zinc/52/61/97/461526197.db2.gz ORHONQKFLLGEOM-HOCLYGCPSA-N 1 3 341.446 3.246 10 0 EGAEHO CN1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647199184 461561841 /nfs/dbraw/zinc/56/18/41/461561841.db2.gz QODAHQBXNKSPHN-HXUWFJFHSA-N 1 3 325.500 3.035 10 0 EGAEHO [NH3+][C@H]1CCC[C@@H](NCc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000666853914 461836332 /nfs/dbraw/zinc/83/63/32/461836332.db2.gz MSJFWPNVHQZENS-DLBZAZTESA-N 1 3 339.487 3.420 10 0 EGAEHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[C@@H]1CSc2ccccc2O1 ZINC000647801262 461842675 /nfs/dbraw/zinc/84/26/75/461842675.db2.gz SZTYOCHKHBZSCK-JQHSSLGASA-N 1 3 342.508 3.478 10 0 EGAEHO Fc1ccccc1-c1n[nH]cc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785553 461896350 /nfs/dbraw/zinc/89/63/50/461896350.db2.gz LXCJGSPMZDYWTL-MRXNPFEDSA-N 1 3 342.462 3.427 10 0 EGAEHO Cc1ccccc1-n1cc(CN2CCC(CC[NH+](C)C)CC2)cn1 ZINC000648003474 461933543 /nfs/dbraw/zinc/93/35/43/461933543.db2.gz GYSFHIQLYFGZAO-UHFFFAOYSA-N 1 3 326.488 3.344 10 0 EGAEHO C[C@H]1C[C@@H](CCNCc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415868 462109500 /nfs/dbraw/zinc/10/95/00/462109500.db2.gz ODELTFWJOIDRLG-PKOBYXMFSA-N 1 3 338.499 3.220 10 0 EGAEHO C[C@H]1C[C@@H](CCNCc2cnn3c2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657415868 462109504 /nfs/dbraw/zinc/10/95/04/462109504.db2.gz ODELTFWJOIDRLG-PKOBYXMFSA-N 1 3 338.499 3.220 10 0 EGAEHO COC1CC(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000657528231 462168441 /nfs/dbraw/zinc/16/84/41/462168441.db2.gz SVHNDJODKZVRGH-UHFFFAOYSA-N 1 3 345.531 3.122 10 0 EGAEHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657595362 462197509 /nfs/dbraw/zinc/19/75/09/462197509.db2.gz HEGSUDDYEYHNTK-DZFGPLHGSA-N 1 3 328.500 3.335 10 0 EGAEHO C[C@@H]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664187 462221423 /nfs/dbraw/zinc/22/14/23/462221423.db2.gz IFCVVTFBFAXLHG-XLIONFOSSA-N 1 3 345.531 3.264 10 0 EGAEHO CN(c1ccccc1C[NH2+]C[C@@H]1CCOC1(C)C)C1CCN(C)CC1 ZINC000657785784 462264753 /nfs/dbraw/zinc/26/47/53/462264753.db2.gz NVVPXSOBCZYALJ-SFHVURJKSA-N 1 3 345.531 3.122 10 0 EGAEHO OCC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000652037253 462412459 /nfs/dbraw/zinc/41/24/59/462412459.db2.gz KKZALUVHEUCRBT-PWRODBHTSA-N 1 3 342.527 3.429 10 0 EGAEHO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000652246061 462488459 /nfs/dbraw/zinc/48/84/59/462488459.db2.gz KEWKLUZPALVDOP-IERDGZPVSA-N 1 3 346.515 3.483 10 0 EGAEHO CO[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1C ZINC000682245886 550086256 /nfs/dbraw/zinc/08/62/56/550086256.db2.gz VMZRLYLXISKIIV-YLJYHZDGSA-N 1 3 332.488 3.018 10 0 EGAEHO C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684410903 550326874 /nfs/dbraw/zinc/32/68/74/550326874.db2.gz COIKAJMACYNKNT-XJKSGUPXSA-N 1 3 330.394 3.400 10 0 EGAEHO C[C@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268827827 1296703558 /nfs/dbraw/zinc/70/35/58/1296703558.db2.gz LSALAHBWIRAYFM-WMZOPIPTSA-N 1 3 347.503 3.154 10 0 EGAEHO C[C@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268827827 1296703565 /nfs/dbraw/zinc/70/35/65/1296703565.db2.gz LSALAHBWIRAYFM-WMZOPIPTSA-N 1 3 347.503 3.154 10 0 EGAEHO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CCCCCC[NH3+] ZINC000872154910 1296773155 /nfs/dbraw/zinc/77/31/55/1296773155.db2.gz DYCVVPFCOYFAPA-CQSZACIVSA-N 1 3 325.884 3.426 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC000388476683 1297601956 /nfs/dbraw/zinc/60/19/56/1297601956.db2.gz RZHWVULMNLNGNE-UKRRQHHQSA-N 1 3 325.294 3.441 10 0 EGAEHO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCCC[C@H](CN)C1 ZINC000388476683 1297601966 /nfs/dbraw/zinc/60/19/66/1297601966.db2.gz RZHWVULMNLNGNE-UKRRQHHQSA-N 1 3 325.294 3.441 10 0 EGAEHO CC(C)C[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000704620498 1298206742 /nfs/dbraw/zinc/20/67/42/1298206742.db2.gz KBOUVSZWHWSMAB-NVXWUHKLSA-N 1 3 339.524 3.094 10 0 EGAEHO CN(C)[C@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C(F)(F)F ZINC000922754883 1322610902 /nfs/dbraw/zinc/61/09/02/1322610902.db2.gz PAIAXAQPRKADBV-MRXNPFEDSA-N 1 3 335.458 3.256 10 0 EGAEHO Cc1nccn1CCN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931217902 1329072942 /nfs/dbraw/zinc/07/29/42/1329072942.db2.gz YJFHGKKAJDAVJY-NHCUHLMSSA-N 1 3 338.499 3.036 10 0 EGAEHO Cc1nccn1CC[NH+]1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC000931217902 1329072946 /nfs/dbraw/zinc/07/29/46/1329072946.db2.gz YJFHGKKAJDAVJY-NHCUHLMSSA-N 1 3 338.499 3.036 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000924941749 1323222490 /nfs/dbraw/zinc/22/24/90/1323222490.db2.gz YJEYORUAJFPFQU-HJNYFJLDSA-N 1 3 342.527 3.346 10 0 EGAEHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924940212 1323222772 /nfs/dbraw/zinc/22/27/72/1323222772.db2.gz ZQKMRKFBLNROCI-UGKGYDQZSA-N 1 3 342.527 3.346 10 0 EGAEHO C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc([O-])cc(F)c1 ZINC000925156371 1325069280 /nfs/dbraw/zinc/06/92/80/1325069280.db2.gz OKUDAXSRXKSBNZ-INIZCTEOSA-N 1 3 349.494 3.132 10 0 EGAEHO COc1ccccc1[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)N1CCCCC1 ZINC000925481260 1325168271 /nfs/dbraw/zinc/16/82/71/1325168271.db2.gz IUWSLPWSILMPEW-YSIASYRMSA-N 1 3 343.515 3.082 10 0 EGAEHO CN(C)[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(F)cc1 ZINC000925480525 1325168899 /nfs/dbraw/zinc/16/88/99/1325168899.db2.gz FVNGIAUVQNKQSA-HSALFYBXSA-N 1 3 333.495 3.186 10 0 EGAEHO COc1ccccc1[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)N1CCCCC1 ZINC000925481256 1325169004 /nfs/dbraw/zinc/16/90/04/1325169004.db2.gz IUWSLPWSILMPEW-DFQSSKMNSA-N 1 3 343.515 3.082 10 0 EGAEHO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)c2c1 ZINC000925485853 1325172513 /nfs/dbraw/zinc/17/25/13/1325172513.db2.gz DPVVERKODCKKAM-TZIWHRDSSA-N 1 3 341.499 3.477 10 0 EGAEHO CC1(C)C[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)C[C@@H]([NH3+])C1 ZINC000925524709 1325189320 /nfs/dbraw/zinc/18/93/20/1325189320.db2.gz YLXVDHBGEPFUFS-WBVHZDCISA-N 1 3 330.451 3.050 10 0 EGAEHO C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925659534 1325253735 /nfs/dbraw/zinc/25/37/35/1325253735.db2.gz WAHJYWNJGOJTKO-MVWVFHAYSA-N 1 3 344.543 3.374 10 0 EGAEHO CC(C)[C@H](Cc1ccc(F)cc1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925794083 1325304144 /nfs/dbraw/zinc/30/41/44/1325304144.db2.gz GIAMVMFEZKUKIE-MOPGFXCFSA-N 1 3 334.479 3.141 10 0 EGAEHO CC[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccsc1 ZINC000925809152 1325311809 /nfs/dbraw/zinc/31/18/09/1325311809.db2.gz AEFKSXVNDGXVAE-IBGZPJMESA-N 1 3 329.513 3.394 10 0 EGAEHO [NH3+]C1CCN(CCN[C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000925814667 1325314181 /nfs/dbraw/zinc/31/41/81/1325314181.db2.gz LAIQNJGITQHYGU-LBPRGKRZSA-N 1 3 348.343 3.445 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842046 1325324228 /nfs/dbraw/zinc/32/42/28/1325324228.db2.gz XBDOGQYRKAILHM-ANTGDGSKSA-N 1 3 342.483 3.290 10 0 EGAEHO CCSc1ccccc1[C@@H](C)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850045 1325329356 /nfs/dbraw/zinc/32/93/56/1325329356.db2.gz GTDPABUKEFPTOZ-HUUCEWRRSA-N 1 3 348.512 3.135 10 0 EGAEHO C[C@H]([NH3+])C[C@H](C)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874206 1325338275 /nfs/dbraw/zinc/33/82/75/1325338275.db2.gz PICZPNUFJZSLDI-STQMWFEESA-N 1 3 344.409 3.495 10 0 EGAEHO C[C@H]1[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCN1C ZINC000926893423 1327761290 /nfs/dbraw/zinc/76/12/90/1327761290.db2.gz QHPVQFGSIHMGCD-KXEVLKFVSA-N 1 3 327.516 3.254 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865835467 1329743638 /nfs/dbraw/zinc/74/36/38/1329743638.db2.gz RGUBNTPBQZFXQD-XWJBARJFSA-N 1 3 347.300 3.304 10 0 EGAEHO Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865835467 1329743640 /nfs/dbraw/zinc/74/36/40/1329743640.db2.gz RGUBNTPBQZFXQD-XWJBARJFSA-N 1 3 347.300 3.304 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000866388139 1330105324 /nfs/dbraw/zinc/10/53/24/1330105324.db2.gz BYEGXPDSUVASJN-PZJWPPBQSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000866388139 1330105325 /nfs/dbraw/zinc/10/53/25/1330105325.db2.gz BYEGXPDSUVASJN-PZJWPPBQSA-N 1 3 339.483 3.135 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001324864675 1387796358 /nfs/dbraw/zinc/79/63/58/1387796358.db2.gz QZUUSLZAYDKPSL-IBGZPJMESA-N 1 3 349.563 3.269 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001324935516 1387832217 /nfs/dbraw/zinc/83/22/17/1387832217.db2.gz FQIYGFIJLJPDMV-QUCCMNQESA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001324935516 1387832222 /nfs/dbraw/zinc/83/22/22/1387832222.db2.gz FQIYGFIJLJPDMV-QUCCMNQESA-N 1 3 335.536 3.044 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001324978423 1387869194 /nfs/dbraw/zinc/86/91/94/1387869194.db2.gz UIRXKHWCIVXBJV-NRFANRHFSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C1 ZINC001324978423 1387869198 /nfs/dbraw/zinc/86/91/98/1387869198.db2.gz UIRXKHWCIVXBJV-NRFANRHFSA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001325629216 1388014575 /nfs/dbraw/zinc/01/45/75/1388014575.db2.gz JUVSRANFMGTUDA-AKHDSKFASA-N 1 3 335.536 3.019 10 0 EGAEHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001325629216 1388014582 /nfs/dbraw/zinc/01/45/82/1388014582.db2.gz JUVSRANFMGTUDA-AKHDSKFASA-N 1 3 335.536 3.019 10 0 EGAEHO CCCC[NH2+][C@H](C)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC001326489239 1388213073 /nfs/dbraw/zinc/21/30/73/1388213073.db2.gz GZOCOPBLKZZONV-CQSZACIVSA-N 1 3 328.460 3.028 10 0 EGAEHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001125037296 1372748929 /nfs/dbraw/zinc/74/89/29/1372748929.db2.gz UWDJSSNTXDHGLR-IBGZPJMESA-N 1 3 343.531 3.025 10 0 EGAEHO CC[C@@H](C)C[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001326675716 1388279449 /nfs/dbraw/zinc/27/94/49/1388279449.db2.gz RFPZPPAQSYFDCV-UZLBHIALSA-N 1 3 345.531 3.047 10 0 EGAEHO CC[C@@H](C)C[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001326675716 1388279452 /nfs/dbraw/zinc/27/94/52/1388279452.db2.gz RFPZPPAQSYFDCV-UZLBHIALSA-N 1 3 345.531 3.047 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129047 1388392878 /nfs/dbraw/zinc/39/28/78/1388392878.db2.gz FLLZXNUJZJTHQT-DKFQHHCZSA-N 1 3 335.536 3.188 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001327129047 1388392880 /nfs/dbraw/zinc/39/28/80/1388392880.db2.gz FLLZXNUJZJTHQT-DKFQHHCZSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1)N(C)C ZINC001265630942 1377156633 /nfs/dbraw/zinc/15/66/33/1377156633.db2.gz SUGMKMXXNUIEIE-OALUTQOASA-N 1 3 337.552 3.125 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001274340967 1378123202 /nfs/dbraw/zinc/12/32/02/1378123202.db2.gz ZNUWQQKGTUNSCS-LAYSSIRVSA-N 1 3 345.531 3.213 10 0 EGAEHO CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001276912488 1378192991 /nfs/dbraw/zinc/19/29/91/1378192991.db2.gz HLJQSAFYWXLMTA-BGYRXZFFSA-N 1 3 337.552 3.079 10 0 EGAEHO CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001276912488 1378192997 /nfs/dbraw/zinc/19/29/97/1378192997.db2.gz HLJQSAFYWXLMTA-BGYRXZFFSA-N 1 3 337.552 3.079 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]C(C)C)c1ccc2ccccc2c1)N(C)C ZINC001278205540 1378262624 /nfs/dbraw/zinc/26/26/24/1378262624.db2.gz AMCPQUWTBBNJPQ-WOJBJXKFSA-N 1 3 341.499 3.335 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C(C)C)C[C@@H]2C1 ZINC001282957673 1378684760 /nfs/dbraw/zinc/68/47/60/1378684760.db2.gz IGOGBXLYIXQAQM-GBESFXJTSA-N 1 3 337.552 3.124 10 0 EGAEHO CCCCCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001282957673 1378684762 /nfs/dbraw/zinc/68/47/62/1378684762.db2.gz IGOGBXLYIXQAQM-GBESFXJTSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001283187012 1378756349 /nfs/dbraw/zinc/75/63/49/1378756349.db2.gz RXATTWSOEREYNC-SJORKVTESA-N 1 3 331.504 3.106 10 0 EGAEHO C[C@H](CCC[NH2+][C@H](C)c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001283187010 1378756458 /nfs/dbraw/zinc/75/64/58/1378756458.db2.gz RXATTWSOEREYNC-IAGOWNOFSA-N 1 3 331.504 3.106 10 0 EGAEHO CCCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001283678055 1379106826 /nfs/dbraw/zinc/10/68/26/1379106826.db2.gz LMCKPMFRGSWVHL-LPHOPBHVSA-N 1 3 343.531 3.216 10 0 EGAEHO C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001283939502 1379288920 /nfs/dbraw/zinc/28/89/20/1379288920.db2.gz MNJPWPXQSDJKSD-QFBILLFUSA-N 1 3 349.494 3.081 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297480 1379685133 /nfs/dbraw/zinc/68/51/33/1379685133.db2.gz URLGYJUXLJDDOI-DLBZAZTESA-N 1 3 337.552 3.122 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCCC(C)(C)C)C1 ZINC001328763404 1388847262 /nfs/dbraw/zinc/84/72/62/1388847262.db2.gz CQSNTPMQFHTCGU-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001328763404 1388847265 /nfs/dbraw/zinc/84/72/65/1388847265.db2.gz CQSNTPMQFHTCGU-ZWKOTPCHSA-N 1 3 337.552 3.077 10 0 EGAEHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698610924 1406240761 /nfs/dbraw/zinc/24/07/61/1406240761.db2.gz XZZOKRDYTFKGKH-IEBWSBKVSA-N 1 3 345.531 3.415 10 0 EGAEHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1cc(C)ccc1C ZINC001316603876 1384472339 /nfs/dbraw/zinc/47/23/39/1384472339.db2.gz CIQLDDOXNGLTOT-RTBURBONSA-N 1 3 345.531 3.239 10 0 EGAEHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1cc(C)ccc1C ZINC001316603876 1384472342 /nfs/dbraw/zinc/47/23/42/1384472342.db2.gz CIQLDDOXNGLTOT-RTBURBONSA-N 1 3 345.531 3.239 10 0 EGAEHO CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001316806110 1384597465 /nfs/dbraw/zinc/59/74/65/1384597465.db2.gz JBUIOLHDQFARSW-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001316806110 1384597470 /nfs/dbraw/zinc/59/74/70/1384597470.db2.gz JBUIOLHDQFARSW-IBGZPJMESA-N 1 3 331.504 3.085 10 0 EGAEHO C[C@@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001316878429 1384663118 /nfs/dbraw/zinc/66/31/18/1384663118.db2.gz HRORWWHIBSQNLB-APWZRJJASA-N 1 3 349.494 3.081 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001329041239 1388941805 /nfs/dbraw/zinc/94/18/05/1388941805.db2.gz ZPSZRPSPZRHHDC-JKSUJKDBSA-N 1 3 349.494 3.073 10 0 EGAEHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1Cl ZINC001317113094 1384874155 /nfs/dbraw/zinc/87/41/55/1384874155.db2.gz LWYLKGLEPMHXPJ-SOUVJXGZSA-N 1 3 349.906 3.122 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001317225471 1385004714 /nfs/dbraw/zinc/00/47/14/1385004714.db2.gz DPTUZLNKWWLDLS-KLAILNCOSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC1=CCCCC1 ZINC001317243885 1385017177 /nfs/dbraw/zinc/01/71/77/1385017177.db2.gz YRXKZQWJKKDSGF-KRWDZBQOSA-N 1 3 335.536 3.236 10 0 EGAEHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001317271060 1385041290 /nfs/dbraw/zinc/04/12/90/1385041290.db2.gz KMJBHJHNTXWIOC-LIVJGKJPSA-N 1 3 343.515 3.059 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001317430955 1385135771 /nfs/dbraw/zinc/13/57/71/1385135771.db2.gz CSHGOUMTTWBQBG-MOPGFXCFSA-N 1 3 335.536 3.020 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001317430955 1385135772 /nfs/dbraw/zinc/13/57/72/1385135772.db2.gz CSHGOUMTTWBQBG-MOPGFXCFSA-N 1 3 335.536 3.020 10 0 EGAEHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001317493202 1385194545 /nfs/dbraw/zinc/19/45/45/1385194545.db2.gz VGDVDASRCPKRRF-UHFFFAOYSA-N 1 3 347.547 3.262 10 0 EGAEHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001317493202 1385194546 /nfs/dbraw/zinc/19/45/46/1385194546.db2.gz VGDVDASRCPKRRF-UHFFFAOYSA-N 1 3 347.547 3.262 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681445 1385390590 /nfs/dbraw/zinc/39/05/90/1385390590.db2.gz IWBYJAPVLDECOZ-MJGOQNOKSA-N 1 3 335.536 3.044 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)N1CCCCC1 ZINC001318301325 1385645216 /nfs/dbraw/zinc/64/52/16/1385645216.db2.gz PNZOCGLBLUTSFI-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1)N1CCCCC1 ZINC001318301325 1385645218 /nfs/dbraw/zinc/64/52/18/1385645218.db2.gz PNZOCGLBLUTSFI-VQTJNVASSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318403418 1385674933 /nfs/dbraw/zinc/67/49/33/1385674933.db2.gz RPRRRRNOKCHKIN-MSOLQXFVSA-N 1 3 337.552 3.218 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318403418 1385674935 /nfs/dbraw/zinc/67/49/35/1385674935.db2.gz RPRRRRNOKCHKIN-MSOLQXFVSA-N 1 3 337.552 3.218 10 0 EGAEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001318524355 1385734187 /nfs/dbraw/zinc/73/41/87/1385734187.db2.gz LTSNPLCVSULWRY-AJAZOWGGSA-N 1 3 343.515 3.057 10 0 EGAEHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318531570 1385740366 /nfs/dbraw/zinc/74/03/66/1385740366.db2.gz VDSOLMDLPAVBCY-MSOLQXFVSA-N 1 3 345.531 3.333 10 0 EGAEHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001318672263 1385829703 /nfs/dbraw/zinc/82/97/03/1385829703.db2.gz WONXRJKNDIGKTC-IYBDPMFKSA-N 1 3 349.544 3.140 10 0 EGAEHO CCCN(C)CC(=O)N1CCC(CC[NH2+]CC2=CCCCC2)CC1 ZINC001318927658 1385884732 /nfs/dbraw/zinc/88/47/32/1385884732.db2.gz BMGOUJPSUMJRPM-UHFFFAOYSA-N 1 3 335.536 3.047 10 0 EGAEHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1)N(C)C ZINC001319124166 1385968036 /nfs/dbraw/zinc/96/80/36/1385968036.db2.gz FAJZAIWZYWHQLD-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250296 1386024953 /nfs/dbraw/zinc/02/49/53/1386024953.db2.gz KREQZIDWYLUHRW-AEFFLSMTSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@H](C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1)N1CCCCCC1 ZINC001319377015 1386090464 /nfs/dbraw/zinc/09/04/64/1386090464.db2.gz FEGIXKUXVHMHKZ-DLBZAZTESA-N 1 3 341.515 3.018 10 0 EGAEHO CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001319633098 1386220866 /nfs/dbraw/zinc/22/08/66/1386220866.db2.gz DPQBSDOVHYORPT-PKOBYXMFSA-N 1 3 337.552 3.029 10 0 EGAEHO CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001319778988 1386293014 /nfs/dbraw/zinc/29/30/14/1386293014.db2.gz BIIZFLXLTJVLGQ-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F)N(C)C ZINC001319788450 1386296358 /nfs/dbraw/zinc/29/63/58/1386296358.db2.gz NSFDWRKDHQZLAS-PKOBYXMFSA-N 1 3 349.494 3.027 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001319809422 1386307700 /nfs/dbraw/zinc/30/77/00/1386307700.db2.gz NHJMWNGPXDPFOX-PKOBYXMFSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1=CCCCC1 ZINC001319942492 1386405092 /nfs/dbraw/zinc/40/50/92/1386405092.db2.gz BOMXIJKCZWRTJN-GOSISDBHSA-N 1 3 337.552 3.195 10 0 EGAEHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001319968704 1386425069 /nfs/dbraw/zinc/42/50/69/1386425069.db2.gz PTDVZDHGCSJFIM-GOSISDBHSA-N 1 3 345.487 3.003 10 0 EGAEHO CC1CCC(C[NH2+]CCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001698691625 1406336705 /nfs/dbraw/zinc/33/67/05/1406336705.db2.gz IBJDXDKDDURYHW-UUKMXZOPSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280954 1387137197 /nfs/dbraw/zinc/13/71/97/1387137197.db2.gz LLGHPAXAPYJTLG-OXQOHEQNSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C2CC2)cc1)N(C)C ZINC001322280954 1387137200 /nfs/dbraw/zinc/13/72/00/1387137200.db2.gz LLGHPAXAPYJTLG-OXQOHEQNSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)c1ccc([C@@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001322710882 1387228802 /nfs/dbraw/zinc/22/88/02/1387228802.db2.gz NILJTMWLCXYGRF-MRXNPFEDSA-N 1 3 342.487 3.275 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001322710881 1387228997 /nfs/dbraw/zinc/22/89/97/1387228997.db2.gz NILJTMWLCXYGRF-INIZCTEOSA-N 1 3 342.487 3.275 10 0 EGAEHO Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001322795609 1387238889 /nfs/dbraw/zinc/23/88/89/1387238889.db2.gz GMTHDOXKCZJWQU-FQEVSTJZSA-N 1 3 347.547 3.136 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001329459296 1389117502 /nfs/dbraw/zinc/11/75/02/1389117502.db2.gz ICVHGWFJVZMXPH-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001329459296 1389117505 /nfs/dbraw/zinc/11/75/05/1389117505.db2.gz ICVHGWFJVZMXPH-MJGOQNOKSA-N 1 3 349.563 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCCC1 ZINC001329460234 1389118195 /nfs/dbraw/zinc/11/81/95/1389118195.db2.gz PKLAOIDBDVMVON-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001329460234 1389118197 /nfs/dbraw/zinc/11/81/97/1389118197.db2.gz PKLAOIDBDVMVON-MJGOQNOKSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748714 1406399414 /nfs/dbraw/zinc/39/94/14/1406399414.db2.gz PALFMNDWTAUXPK-HKUYNNGSSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001331549276 1389795794 /nfs/dbraw/zinc/79/57/94/1389795794.db2.gz WPFVELBWKSEWJZ-OXJNMPFZSA-N 1 3 345.531 3.087 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750471 1406401451 /nfs/dbraw/zinc/40/14/51/1406401451.db2.gz YFNBHQDGMCDBHG-DLBZAZTESA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001332263959 1390069019 /nfs/dbraw/zinc/06/90/19/1390069019.db2.gz WAJXPZUVFKZQDL-ZWKOTPCHSA-N 1 3 335.536 3.092 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@H+](C)Cc1cc(C)cc(C)c1)C(C)C)N(C)C ZINC001332732177 1390172373 /nfs/dbraw/zinc/17/23/73/1390172373.db2.gz ICVAQYIANSURST-FQEVSTJZSA-N 1 3 347.547 3.312 10 0 EGAEHO CC[C@@H](C(=O)N(CC[N@@H+](C)Cc1cc(C)cc(C)c1)C(C)C)N(C)C ZINC001332732177 1390172376 /nfs/dbraw/zinc/17/23/76/1390172376.db2.gz ICVAQYIANSURST-FQEVSTJZSA-N 1 3 347.547 3.312 10 0 EGAEHO Cc1ccccc1C[N@@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C ZINC001332741495 1390177929 /nfs/dbraw/zinc/17/79/29/1390177929.db2.gz YZIJTSOLVVYBNY-UHFFFAOYSA-N 1 3 333.520 3.004 10 0 EGAEHO Cc1ccccc1C[N@H+](C)CCN(C(=O)CN(C)C(C)C)C(C)C ZINC001332741495 1390177933 /nfs/dbraw/zinc/17/79/33/1390177933.db2.gz YZIJTSOLVVYBNY-UHFFFAOYSA-N 1 3 333.520 3.004 10 0 EGAEHO CCCCCC[NH+]1CCC([C@H](C)NC(=O)C2(N(C)C)CCC2)CC1 ZINC001332991814 1390231841 /nfs/dbraw/zinc/23/18/41/1390231841.db2.gz KGRMMFDTUYJHAH-KRWDZBQOSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001698845568 1406546509 /nfs/dbraw/zinc/54/65/09/1406546509.db2.gz LEKJTCLWNXWTPL-QZTJIDSGSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001479995746 1392527692 /nfs/dbraw/zinc/52/76/92/1392527692.db2.gz UVFJGMVFUYRAIV-UHFFFAOYSA-N 1 3 346.519 3.091 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001480256536 1392641230 /nfs/dbraw/zinc/64/12/30/1392641230.db2.gz DCWUDGALHKQGKI-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001480256536 1392641234 /nfs/dbraw/zinc/64/12/34/1392641234.db2.gz DCWUDGALHKQGKI-QGZVFWFLSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001698872978 1406593897 /nfs/dbraw/zinc/59/38/97/1406593897.db2.gz HCVJECPCJOMANP-HKUYNNGSSA-N 1 3 349.563 3.029 10 0 EGAEHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700929 1392864702 /nfs/dbraw/zinc/86/47/02/1392864702.db2.gz ZIDCIFSZJWCPHX-MOPGFXCFSA-N 1 3 349.563 3.458 10 0 EGAEHO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001480710509 1392872620 /nfs/dbraw/zinc/87/26/20/1392872620.db2.gz RALNPMQMLZVJQS-RTBURBONSA-N 1 3 345.531 3.161 10 0 EGAEHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001480794052 1392937806 /nfs/dbraw/zinc/93/78/06/1392937806.db2.gz VARBYONTRKPREB-UYAOXDASSA-N 1 3 345.531 3.242 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001481343524 1393168782 /nfs/dbraw/zinc/16/87/82/1393168782.db2.gz OWCBMOYQHANCLB-KRWDZBQOSA-N 1 3 339.568 3.370 10 0 EGAEHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)c1 ZINC001490742969 1394313931 /nfs/dbraw/zinc/31/39/31/1394313931.db2.gz XUYBGUFOTQRKKE-LJQANCHMSA-N 1 3 345.531 3.282 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174262 1394458891 /nfs/dbraw/zinc/45/88/91/1394458891.db2.gz XISLJZVNEIYCKU-AZUAARDMSA-N 1 3 347.547 3.047 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001491190268 1394464402 /nfs/dbraw/zinc/46/44/02/1394464402.db2.gz JVWIHUGAVVBAML-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854082 1394560452 /nfs/dbraw/zinc/56/04/52/1394560452.db2.gz ASFCBURWKASUDQ-VQTJNVASSA-N 1 3 345.531 3.242 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855288 1394561181 /nfs/dbraw/zinc/56/11/81/1394561181.db2.gz KNVUZQAMRLSUCS-QUCCMNQESA-N 1 3 345.531 3.244 10 0 EGAEHO CCCCC[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001481959731 1394620057 /nfs/dbraw/zinc/62/00/57/1394620057.db2.gz AYWPULONEYMHNY-KXBFYZLASA-N 1 3 334.508 3.106 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001482431315 1394991559 /nfs/dbraw/zinc/99/15/59/1394991559.db2.gz AYDOWNBHOMBDRM-HKUYNNGSSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501630 1395054136 /nfs/dbraw/zinc/05/41/36/1395054136.db2.gz RGVUZKKYUUZEQR-ICSRJNTNSA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001484875989 1395579999 /nfs/dbraw/zinc/57/99/99/1395579999.db2.gz LYHRRMQHBKUKKU-UHFFFAOYSA-N 1 3 331.504 3.149 10 0 EGAEHO CCCCC[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001484875989 1395580001 /nfs/dbraw/zinc/58/00/01/1395580001.db2.gz LYHRRMQHBKUKKU-UHFFFAOYSA-N 1 3 331.504 3.149 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001484975850 1395615404 /nfs/dbraw/zinc/61/54/04/1395615404.db2.gz JNPHFHNYWDJJJN-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001484975850 1395615406 /nfs/dbraw/zinc/61/54/06/1395615406.db2.gz JNPHFHNYWDJJJN-ROUUACIJSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001485214248 1395709742 /nfs/dbraw/zinc/70/97/42/1395709742.db2.gz DQDIFJUHRCPRMG-HUUCEWRRSA-N 1 3 334.508 3.104 10 0 EGAEHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC1CCCC1 ZINC001485230099 1395724575 /nfs/dbraw/zinc/72/45/75/1395724575.db2.gz PXBPOKZOUIOGCV-HOTGVXAUSA-N 1 3 331.504 3.035 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@H+](C)CCC1CCCCC1 ZINC001485336788 1395808468 /nfs/dbraw/zinc/80/84/68/1395808468.db2.gz OPGZOZJUBKPRPC-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[N@@H+](C)CCC1CCCCC1 ZINC001485336788 1395808472 /nfs/dbraw/zinc/80/84/72/1395808472.db2.gz OPGZOZJUBKPRPC-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001485356233 1395830604 /nfs/dbraw/zinc/83/06/04/1395830604.db2.gz AZMNBDVWDRGCHW-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001485356233 1395830613 /nfs/dbraw/zinc/83/06/13/1395830613.db2.gz AZMNBDVWDRGCHW-DLBZAZTESA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723113 1396118392 /nfs/dbraw/zinc/11/83/92/1396118392.db2.gz XODANTSKXFOWOU-IEBWSBKVSA-N 1 3 349.563 3.314 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001494250631 1396409723 /nfs/dbraw/zinc/40/97/23/1396409723.db2.gz HXQHTUUSRXWNHN-OXUXSNCKSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001494576911 1396474812 /nfs/dbraw/zinc/47/48/12/1396474812.db2.gz KINLYWFFEMCGMK-MSOLQXFVSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001496294266 1396637486 /nfs/dbraw/zinc/63/74/86/1396637486.db2.gz LKIHJEFGDJPWDF-KVPVBUAESA-N 1 3 343.943 3.122 10 0 EGAEHO Cc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001496490953 1396708982 /nfs/dbraw/zinc/70/89/82/1396708982.db2.gz KHRJWCYLDAASEK-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO CC(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001699012445 1406843939 /nfs/dbraw/zinc/84/39/39/1406843939.db2.gz DSNXGDUPYRGTOI-MSOLQXFVSA-N 1 3 337.552 3.172 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC1CCC(C)CC1 ZINC001689891300 1404187404 /nfs/dbraw/zinc/18/74/04/1404187404.db2.gz WKYRGAIJWVMBBK-CTWPCTMYSA-N 1 3 337.552 3.125 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CC1CCC(C)CC1 ZINC001689891300 1404187407 /nfs/dbraw/zinc/18/74/07/1404187407.db2.gz WKYRGAIJWVMBBK-CTWPCTMYSA-N 1 3 337.552 3.125 10 0 EGAEHO CC(C)(C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1)N1CCCC1 ZINC001690162437 1404360639 /nfs/dbraw/zinc/36/06/39/1404360639.db2.gz HRQJLZXAZCKTFR-IBGZPJMESA-N 1 3 349.563 3.316 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001690318185 1404475070 /nfs/dbraw/zinc/47/50/70/1404475070.db2.gz QAQLIGRBMQGXGX-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC001690318185 1404475073 /nfs/dbraw/zinc/47/50/73/1404475073.db2.gz QAQLIGRBMQGXGX-VQTJNVASSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cc1 ZINC001690370380 1404501233 /nfs/dbraw/zinc/50/12/33/1404501233.db2.gz UINRYZQOPSRAEJ-FFZOFVMBSA-N 1 3 345.531 3.448 10 0 EGAEHO CN(CC(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)C1CCC1 ZINC001690383844 1404517139 /nfs/dbraw/zinc/51/71/39/1404517139.db2.gz XDZRWHWDSNDRIB-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO CN(CC(=O)NC[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1)C1CCC1 ZINC001690383844 1404517141 /nfs/dbraw/zinc/51/71/41/1404517141.db2.gz XDZRWHWDSNDRIB-LJQANCHMSA-N 1 3 347.547 3.189 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499506 1404612440 /nfs/dbraw/zinc/61/24/40/1404612440.db2.gz WGQOVFFGMBPRNY-WMZOPIPTSA-N 1 3 349.563 3.124 10 0 EGAEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001690499506 1404612442 /nfs/dbraw/zinc/61/24/42/1404612442.db2.gz WGQOVFFGMBPRNY-WMZOPIPTSA-N 1 3 349.563 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691428083 1405262218 /nfs/dbraw/zinc/26/22/18/1405262218.db2.gz IVGOLPZMYHPPJO-RLLQIKCJSA-N 1 3 349.563 3.122 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691428083 1405262220 /nfs/dbraw/zinc/26/22/20/1405262220.db2.gz IVGOLPZMYHPPJO-RLLQIKCJSA-N 1 3 349.563 3.122 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697181 1405429565 /nfs/dbraw/zinc/42/95/65/1405429565.db2.gz UGNXSPAMRCXLOE-CNGCZUSVSA-N 1 3 335.536 3.042 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H]1C ZINC001691697181 1405429569 /nfs/dbraw/zinc/42/95/69/1405429569.db2.gz UGNXSPAMRCXLOE-CNGCZUSVSA-N 1 3 335.536 3.042 10 0 EGAEHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691823836 1405540442 /nfs/dbraw/zinc/54/04/42/1405540442.db2.gz YNCYFSOXCPAIMT-ROUUACIJSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC(C)(C)C1 ZINC001691823836 1405540443 /nfs/dbraw/zinc/54/04/43/1405540443.db2.gz YNCYFSOXCPAIMT-ROUUACIJSA-N 1 3 339.568 3.226 10 0 EGAEHO CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001691884869 1405607458 /nfs/dbraw/zinc/60/74/58/1405607458.db2.gz YFAMSPYHJROXPQ-GUDVDZBRSA-N 1 3 337.552 3.265 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001691885771 1405608860 /nfs/dbraw/zinc/60/88/60/1405608860.db2.gz NWPDLXVVHXPAJU-UHOSZYNNSA-N 1 3 349.563 3.027 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCC2CCCCC2)CC1 ZINC001692006850 1405724473 /nfs/dbraw/zinc/72/44/73/1405724473.db2.gz UOIXHLAMLYNMPJ-FQEVSTJZSA-N 1 3 349.563 3.221 10 0 EGAEHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CCCCC2)CC1 ZINC001692006850 1405724477 /nfs/dbraw/zinc/72/44/77/1405724477.db2.gz UOIXHLAMLYNMPJ-FQEVSTJZSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578423 1406188718 /nfs/dbraw/zinc/18/87/18/1406188718.db2.gz UKDZARVRYWRMBA-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001698578423 1406188721 /nfs/dbraw/zinc/18/87/21/1406188721.db2.gz UKDZARVRYWRMBA-WOJBJXKFSA-N 1 3 349.563 3.220 10 0 EGAEHO CC/C=C\CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001732154508 1428398518 /nfs/dbraw/zinc/39/85/18/1428398518.db2.gz ROQHXEGGRGGDPS-QQGAAHRYSA-N 1 3 347.547 3.330 10 0 EGAEHO CC/C=C\CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001732154508 1428398521 /nfs/dbraw/zinc/39/85/21/1428398521.db2.gz ROQHXEGGRGGDPS-QQGAAHRYSA-N 1 3 347.547 3.330 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001732367587 1428550910 /nfs/dbraw/zinc/55/09/10/1428550910.db2.gz WNXUGVHNRQOVLL-IEBWSBKVSA-N 1 3 335.536 3.092 10 0 EGAEHO C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)N1CCCCC1 ZINC001699099463 1412509321 /nfs/dbraw/zinc/50/93/21/1412509321.db2.gz KLYROQVLFQFURD-MRXNPFEDSA-N 1 3 325.541 3.172 10 0 EGAEHO CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001699161217 1412544995 /nfs/dbraw/zinc/54/49/95/1412544995.db2.gz VPCFYFIVQABUNH-XLIONFOSSA-N 1 3 345.531 3.108 10 0 EGAEHO C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC001699388520 1412701849 /nfs/dbraw/zinc/70/18/49/1412701849.db2.gz SRULTQRQAAKJIX-MRXNPFEDSA-N 1 3 333.520 3.282 10 0 EGAEHO CCc1ccc(CN(C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001699455084 1412799113 /nfs/dbraw/zinc/79/91/13/1412799113.db2.gz QDFQYRBTZNFPMR-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CCc1ccc(CN(C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001699455084 1412799118 /nfs/dbraw/zinc/79/91/18/1412799118.db2.gz QDFQYRBTZNFPMR-XLIONFOSSA-N 1 3 345.531 3.060 10 0 EGAEHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCCC(C)C ZINC001699608719 1412972693 /nfs/dbraw/zinc/97/26/93/1412972693.db2.gz WSBXUTRQBDSGGI-ROUUACIJSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC001699800104 1413211040 /nfs/dbraw/zinc/21/10/40/1413211040.db2.gz QPZIGLKRIOWMME-PXNSSMCTSA-N 1 3 345.531 3.352 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC2CCC2)C3)CCC1 ZINC001699928396 1413368573 /nfs/dbraw/zinc/36/85/73/1413368573.db2.gz QTMLVUFJBCOKLY-OTWHNJEPSA-N 1 3 347.547 3.020 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC2CCC2)C3)CCC1 ZINC001699928396 1413368575 /nfs/dbraw/zinc/36/85/75/1413368575.db2.gz QTMLVUFJBCOKLY-OTWHNJEPSA-N 1 3 347.547 3.020 10 0 EGAEHO CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001699975710 1413416264 /nfs/dbraw/zinc/41/62/64/1413416264.db2.gz FMQVVFMKONSGQH-FCGDIQPGSA-N 1 3 337.552 3.122 10 0 EGAEHO CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2 ZINC001699975710 1413416266 /nfs/dbraw/zinc/41/62/66/1413416266.db2.gz FMQVVFMKONSGQH-FCGDIQPGSA-N 1 3 337.552 3.122 10 0 EGAEHO CN(CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)Cc1ccsc1 ZINC001700193257 1413626930 /nfs/dbraw/zinc/62/69/30/1413626930.db2.gz UQVULUWMOVRLNP-MSOLQXFVSA-N 1 3 349.544 3.045 10 0 EGAEHO CN(CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)Cc1ccsc1 ZINC001700193257 1413626933 /nfs/dbraw/zinc/62/69/33/1413626933.db2.gz UQVULUWMOVRLNP-MSOLQXFVSA-N 1 3 349.544 3.045 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001700645704 1414311241 /nfs/dbraw/zinc/31/12/41/1414311241.db2.gz LTXHIQCWKJHOGF-BZSNNMDCSA-N 1 3 337.552 3.172 10 0 EGAEHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001700923668 1414576208 /nfs/dbraw/zinc/57/62/08/1414576208.db2.gz OXNVFTTWVMMRMD-OXUXSNCKSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001700925514 1414578324 /nfs/dbraw/zinc/57/83/24/1414578324.db2.gz BSVOPOKOLVFROT-IBGZPJMESA-N 1 3 343.515 3.155 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197374 1417240576 /nfs/dbraw/zinc/24/05/76/1417240576.db2.gz JXILXRLKDIRUOH-UOETZDLVSA-N 1 3 349.563 3.432 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CC(C)C)[C@H]1CC ZINC001707197374 1417240580 /nfs/dbraw/zinc/24/05/80/1417240580.db2.gz JXILXRLKDIRUOH-UOETZDLVSA-N 1 3 349.563 3.432 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)CC(C)(C)C ZINC001707275668 1417282148 /nfs/dbraw/zinc/28/21/48/1417282148.db2.gz PBNPDMDOUTUCDH-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1)CC(C)(C)C ZINC001707275668 1417282152 /nfs/dbraw/zinc/28/21/52/1417282152.db2.gz PBNPDMDOUTUCDH-SFHVURJKSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001707376635 1417300780 /nfs/dbraw/zinc/30/07/80/1417300780.db2.gz CWQQRPXXIDYKCT-LPHOPBHVSA-N 1 3 349.494 3.198 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@@H](C)c1ccccc1F ZINC001707376635 1417300781 /nfs/dbraw/zinc/30/07/81/1417300781.db2.gz CWQQRPXXIDYKCT-LPHOPBHVSA-N 1 3 349.494 3.198 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381514 1417304436 /nfs/dbraw/zinc/30/44/36/1417304436.db2.gz QHHCDEUOKQYSFL-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001707381514 1417304439 /nfs/dbraw/zinc/30/44/39/1417304439.db2.gz QHHCDEUOKQYSFL-MSOLQXFVSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001713025132 1417577046 /nfs/dbraw/zinc/57/70/46/1417577046.db2.gz UHHJFDGKIINGEM-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCC(C)C ZINC001713025132 1417577047 /nfs/dbraw/zinc/57/70/47/1417577047.db2.gz UHHJFDGKIINGEM-LJQANCHMSA-N 1 3 343.531 3.073 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054113 1429194931 /nfs/dbraw/zinc/19/49/31/1429194931.db2.gz NCMGASWHKPEZJZ-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001733054113 1429194935 /nfs/dbraw/zinc/19/49/35/1429194935.db2.gz NCMGASWHKPEZJZ-IEBWSBKVSA-N 1 3 337.552 3.266 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001713089376 1417636609 /nfs/dbraw/zinc/63/66/09/1417636609.db2.gz SVVQEXUBNHRNHS-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC001713089376 1417636611 /nfs/dbraw/zinc/63/66/11/1417636611.db2.gz SVVQEXUBNHRNHS-PMACEKPBSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)(C(=O)NC[C@H]([NH2+]CCCF)c1ccccc1)N1CCCCC1 ZINC001713701423 1418458982 /nfs/dbraw/zinc/45/89/82/1418458982.db2.gz AAEUHEDNUKCFMY-SFHVURJKSA-N 1 3 349.494 3.058 10 0 EGAEHO CC(C)C[NH2+][C@H](CNC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC001713705438 1418465727 /nfs/dbraw/zinc/46/57/27/1418465727.db2.gz YSIFZVBRFLLNDO-UYAOXDASSA-N 1 3 345.531 3.354 10 0 EGAEHO CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001713789090 1418606319 /nfs/dbraw/zinc/60/63/19/1418606319.db2.gz LVHHJYYSUJWHMK-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001713789090 1418606323 /nfs/dbraw/zinc/60/63/23/1418606323.db2.gz LVHHJYYSUJWHMK-RBUKOAKNSA-N 1 3 337.552 3.268 10 0 EGAEHO CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001713792256 1418610275 /nfs/dbraw/zinc/61/02/75/1418610275.db2.gz VVTOCOXBOGYQML-DHJFXDNESA-N 1 3 335.536 3.188 10 0 EGAEHO CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001713792256 1418610278 /nfs/dbraw/zinc/61/02/78/1418610278.db2.gz VVTOCOXBOGYQML-DHJFXDNESA-N 1 3 335.536 3.188 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713969090 1418748047 /nfs/dbraw/zinc/74/80/47/1418748047.db2.gz XSQVELHUSRVUHP-FHWLQOOXSA-N 1 3 335.536 3.068 10 0 EGAEHO CC1CCC(C[N@@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001714036312 1418825518 /nfs/dbraw/zinc/82/55/18/1418825518.db2.gz RXIGXTCKGZQHFY-CTWPCTMYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC1CCC(C[N@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001714036312 1418825520 /nfs/dbraw/zinc/82/55/20/1418825520.db2.gz RXIGXTCKGZQHFY-CTWPCTMYSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714044432 1418836667 /nfs/dbraw/zinc/83/66/67/1418836667.db2.gz QCOOGTARAQYKNE-RTBURBONSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001714044432 1418836669 /nfs/dbraw/zinc/83/66/69/1418836669.db2.gz QCOOGTARAQYKNE-RTBURBONSA-N 1 3 335.536 3.045 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186789 1429288358 /nfs/dbraw/zinc/28/83/58/1429288358.db2.gz ZVBSATJJLWDAJZ-ZWKOTPCHSA-N 1 3 337.552 3.170 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092612 1418886679 /nfs/dbraw/zinc/88/66/79/1418886679.db2.gz AVTYWMYHOJYKJL-QZTJIDSGSA-N 1 3 337.552 3.125 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)NCc1ccccc1F ZINC001714105635 1418905017 /nfs/dbraw/zinc/90/50/17/1418905017.db2.gz BPOZIVMCIHIAFV-PKOBYXMFSA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)NCc1ccccc1F ZINC001714105635 1418905020 /nfs/dbraw/zinc/90/50/20/1418905020.db2.gz BPOZIVMCIHIAFV-PKOBYXMFSA-N 1 3 349.494 3.073 10 0 EGAEHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001714386395 1419136667 /nfs/dbraw/zinc/13/66/67/1419136667.db2.gz WIQKMKFEMRMPMA-GOSISDBHSA-N 1 3 345.531 3.088 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411060 1419150131 /nfs/dbraw/zinc/15/01/31/1419150131.db2.gz JHMGCRVWCDPERU-IRXDYDNUSA-N 1 3 325.541 3.172 10 0 EGAEHO CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001714455142 1419187693 /nfs/dbraw/zinc/18/76/93/1419187693.db2.gz UWGALUFTCZZSHP-HXUWFJFHSA-N 1 3 345.531 3.475 10 0 EGAEHO CCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001714455142 1419187694 /nfs/dbraw/zinc/18/76/94/1419187694.db2.gz UWGALUFTCZZSHP-HXUWFJFHSA-N 1 3 345.531 3.475 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1)N1CCCC1 ZINC001714500826 1419226743 /nfs/dbraw/zinc/22/67/43/1419226743.db2.gz UVJRLZXKSVXTGD-UHFFFAOYSA-N 1 3 349.563 3.460 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001715006591 1419736541 /nfs/dbraw/zinc/73/65/41/1419736541.db2.gz CFLUAQWDVFMTNI-KJYWSYJISA-N 1 3 349.563 3.434 10 0 EGAEHO CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001715006591 1419736545 /nfs/dbraw/zinc/73/65/45/1419736545.db2.gz CFLUAQWDVFMTNI-KJYWSYJISA-N 1 3 349.563 3.434 10 0 EGAEHO CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001715182127 1419915840 /nfs/dbraw/zinc/91/58/40/1419915840.db2.gz JBNKFJPITAKHQW-GUDVDZBRSA-N 1 3 337.552 3.457 10 0 EGAEHO CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001715464163 1420143390 /nfs/dbraw/zinc/14/33/90/1420143390.db2.gz VIYKSGRVVXKEPL-FXAWDEMLSA-N 1 3 345.531 3.379 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001715540769 1420238950 /nfs/dbraw/zinc/23/89/50/1420238950.db2.gz ZHHLWBMHFFHONY-LJQANCHMSA-N 1 3 349.563 3.221 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001715540769 1420238952 /nfs/dbraw/zinc/23/89/52/1420238952.db2.gz ZHHLWBMHFFHONY-LJQANCHMSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1)N(C)C ZINC001716005823 1420459896 /nfs/dbraw/zinc/45/98/96/1420459896.db2.gz ZIJDBZMTGMNUHD-WMZOPIPTSA-N 1 3 325.541 3.027 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001716465621 1420678297 /nfs/dbraw/zinc/67/82/97/1420678297.db2.gz DWAZLKYQIXKVKY-OXJNMPFZSA-N 1 3 343.515 3.033 10 0 EGAEHO CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001716511938 1420742722 /nfs/dbraw/zinc/74/27/22/1420742722.db2.gz IVSRLFKRGXYZBV-RTBURBONSA-N 1 3 349.563 3.482 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716520590 1420749306 /nfs/dbraw/zinc/74/93/06/1420749306.db2.gz MSUANDNKVIRVTL-WOJBJXKFSA-N 1 3 349.563 3.482 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716651383 1420805122 /nfs/dbraw/zinc/80/51/22/1420805122.db2.gz SGUCERPPOAKRPA-ABQVSZSXSA-N 1 3 347.547 3.188 10 0 EGAEHO CC/C=C/CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001716651383 1420805126 /nfs/dbraw/zinc/80/51/26/1420805126.db2.gz SGUCERPPOAKRPA-ABQVSZSXSA-N 1 3 347.547 3.188 10 0 EGAEHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)N(C)C ZINC001716820968 1420947366 /nfs/dbraw/zinc/94/73/66/1420947366.db2.gz LGNVICXSJPSFKN-WOJBJXKFSA-N 1 3 349.563 3.338 10 0 EGAEHO CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001716830529 1420957566 /nfs/dbraw/zinc/95/75/66/1420957566.db2.gz RLWNSSVSNCBEFE-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001716830529 1420957567 /nfs/dbraw/zinc/95/75/67/1420957567.db2.gz RLWNSSVSNCBEFE-FQEVSTJZSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001717202152 1421170574 /nfs/dbraw/zinc/17/05/74/1421170574.db2.gz NNIBBKICCARLPK-ACBHZAAOSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001717202152 1421170576 /nfs/dbraw/zinc/17/05/76/1421170576.db2.gz NNIBBKICCARLPK-ACBHZAAOSA-N 1 3 337.552 3.125 10 0 EGAEHO C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001717423423 1421353242 /nfs/dbraw/zinc/35/32/42/1421353242.db2.gz SIQMTXHGBSZJCG-CVEARBPZSA-N 1 3 349.494 3.013 10 0 EGAEHO CC(C)=CCN(C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485638 1421421941 /nfs/dbraw/zinc/42/19/41/1421421941.db2.gz PUIKKXIFBVFOCH-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO CC(C)=CCN(C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717485638 1421421942 /nfs/dbraw/zinc/42/19/42/1421421942.db2.gz PUIKKXIFBVFOCH-PKOBYXMFSA-N 1 3 335.536 3.186 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@H+](C)CCC1CCCC1 ZINC001717491165 1421430409 /nfs/dbraw/zinc/43/04/09/1421430409.db2.gz VJSYZCVYUSCJTN-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[N@@H+](C)CCC1CCCC1 ZINC001717491165 1421430410 /nfs/dbraw/zinc/43/04/10/1421430410.db2.gz VJSYZCVYUSCJTN-ROUUACIJSA-N 1 3 337.552 3.268 10 0 EGAEHO CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717582947 1421509060 /nfs/dbraw/zinc/50/90/60/1421509060.db2.gz SXARHOCTCBNWLI-LSSLULSBSA-N 1 3 337.552 3.146 10 0 EGAEHO CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C1 ZINC001717582947 1421509063 /nfs/dbraw/zinc/50/90/63/1421509063.db2.gz SXARHOCTCBNWLI-LSSLULSBSA-N 1 3 337.552 3.146 10 0 EGAEHO CCC[N@H+](C)CCC(=O)N[C@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001717587838 1421516492 /nfs/dbraw/zinc/51/64/92/1421516492.db2.gz MXBVVVKKIMGTGJ-IBGZPJMESA-N 1 3 345.531 3.054 10 0 EGAEHO CCC[N@@H+](C)CCC(=O)N[C@H]1CN(Cc2cccc(C)c2)CC1(C)C ZINC001717587838 1421516495 /nfs/dbraw/zinc/51/64/95/1421516495.db2.gz MXBVVVKKIMGTGJ-IBGZPJMESA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668045 1421558419 /nfs/dbraw/zinc/55/84/19/1421558419.db2.gz RZBYASZCYLXEDA-HKUYNNGSSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730262 1421596633 /nfs/dbraw/zinc/59/66/33/1421596633.db2.gz SVGQDGGTNCQFLB-WOJBJXKFSA-N 1 3 349.563 3.266 10 0 EGAEHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873881 1421681434 /nfs/dbraw/zinc/68/14/34/1421681434.db2.gz WTCJFCMKCJWGAL-RBUKOAKNSA-N 1 3 349.563 3.316 10 0 EGAEHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881864 1421686014 /nfs/dbraw/zinc/68/60/14/1421686014.db2.gz VXGFBADSRATXPJ-OALUTQOASA-N 1 3 349.563 3.339 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C)N(C)C ZINC001717970800 1421742926 /nfs/dbraw/zinc/74/29/26/1421742926.db2.gz BQOCHNTUVPHIJW-IAGOWNOFSA-N 1 3 337.552 3.027 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001723333285 1424355468 /nfs/dbraw/zinc/35/54/68/1424355468.db2.gz GNXIQYMLXJEYTJ-VQTJNVASSA-N 1 3 349.563 3.314 10 0 EGAEHO CC(C)(C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)N1CCCCC1 ZINC001723515851 1424447681 /nfs/dbraw/zinc/44/76/81/1424447681.db2.gz XLBSTWFJGDESAO-UHFFFAOYSA-N 1 3 347.547 3.380 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251674 1424756626 /nfs/dbraw/zinc/75/66/26/1424756626.db2.gz UPDGYCWVGFMDBA-NQIIRXRSSA-N 1 3 349.563 3.127 10 0 EGAEHO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001724740122 1425103110 /nfs/dbraw/zinc/10/31/10/1425103110.db2.gz FMXCTRWSOIGLQQ-HXUWFJFHSA-N 1 3 345.531 3.408 10 0 EGAEHO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1C(C)C ZINC001724740122 1425103111 /nfs/dbraw/zinc/10/31/11/1425103111.db2.gz FMXCTRWSOIGLQQ-HXUWFJFHSA-N 1 3 345.531 3.408 10 0 EGAEHO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C(C)C)CC2)c1 ZINC001724755438 1425126178 /nfs/dbraw/zinc/12/61/78/1425126178.db2.gz PUDVGBNBDORGPU-KESTWPANSA-N 1 3 345.531 3.100 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1 ZINC001724795356 1425162525 /nfs/dbraw/zinc/16/25/25/1425162525.db2.gz FGOAFUSVBDQFRX-QGZVFWFLSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1 ZINC001724796989 1425164791 /nfs/dbraw/zinc/16/47/91/1425164791.db2.gz PGIIHLVDPGJYNK-LJQANCHMSA-N 1 3 347.547 3.378 10 0 EGAEHO Cc1ccccc1C[NH2+][C@@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001725216087 1425781538 /nfs/dbraw/zinc/78/15/38/1425781538.db2.gz ZXDFPWOAXIIUJS-FQEVSTJZSA-N 1 3 345.531 3.054 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468634 1426138017 /nfs/dbraw/zinc/13/80/17/1426138017.db2.gz LHNHUWJVFPCQSI-LPHOPBHVSA-N 1 3 349.494 3.075 10 0 EGAEHO CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001725623011 1426289009 /nfs/dbraw/zinc/28/90/09/1426289009.db2.gz LHAGFAGNENTSMM-IPMKNSEASA-N 1 3 349.563 3.147 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001725656181 1426339340 /nfs/dbraw/zinc/33/93/40/1426339340.db2.gz SUHYLMJEVBEXFN-PJHKVULZSA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CC1(C)C ZINC001725667355 1426350401 /nfs/dbraw/zinc/35/04/01/1426350401.db2.gz DXUYQUDSEWYNTC-ZWKOTPCHSA-N 1 3 337.552 3.122 10 0 EGAEHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CC1(C)C ZINC001725684152 1426372019 /nfs/dbraw/zinc/37/20/19/1426372019.db2.gz YGDUJNIXVADTNU-ZWKOTPCHSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001725754364 1426433446 /nfs/dbraw/zinc/43/34/46/1426433446.db2.gz AYVITVWUAWYUOC-GOSISDBHSA-N 1 3 339.568 3.418 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001731414504 1427382832 /nfs/dbraw/zinc/38/28/32/1427382832.db2.gz PZJPXIHLVJBBPQ-LJQANCHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001731414504 1427382833 /nfs/dbraw/zinc/38/28/33/1427382833.db2.gz PZJPXIHLVJBBPQ-LJQANCHMSA-N 1 3 349.563 3.388 10 0 EGAEHO CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)N1CCCCC1 ZINC001731545770 1427562496 /nfs/dbraw/zinc/56/24/96/1427562496.db2.gz CTWJKYHQSXPYCV-SFHVURJKSA-N 1 3 335.536 3.022 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001733688312 1429904440 /nfs/dbraw/zinc/90/44/40/1429904440.db2.gz CEBKVDFDWFMSRP-XMMAQXFNSA-N 1 3 349.563 3.482 10 0 EGAEHO CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001733691527 1429908350 /nfs/dbraw/zinc/90/83/50/1429908350.db2.gz IYRYQURQRRBQAX-NCXUSEDFSA-N 1 3 337.552 3.314 10 0 EGAEHO CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734106810 1437893542 /nfs/dbraw/zinc/89/35/42/1437893542.db2.gz TVDMTWRVRLVEOY-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001734106810 1437893544 /nfs/dbraw/zinc/89/35/44/1437893544.db2.gz TVDMTWRVRLVEOY-RTBURBONSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001734123612 1437903101 /nfs/dbraw/zinc/90/31/01/1437903101.db2.gz GXBPFSRNUYZFEC-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO C[C@@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001734394689 1438080150 /nfs/dbraw/zinc/08/01/50/1438080150.db2.gz JVTPTKFAQBAIJJ-VQIMIIECSA-N 1 3 335.536 3.020 10 0 EGAEHO CC1CC(C[NH2+]C[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C)C1 ZINC001734570287 1438164609 /nfs/dbraw/zinc/16/46/09/1438164609.db2.gz YPDDMQFCZSZGLF-JCYILVPMSA-N 1 3 337.552 3.027 10 0 EGAEHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000368530121 168369354 /nfs/dbraw/zinc/36/93/54/168369354.db2.gz ISIQGYPORBNCQG-UKAVVXHISA-N 1 3 329.532 3.217 10 0 EGAEHO CC[NH+]1CCC(CCN[C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000091729226 218054852 /nfs/dbraw/zinc/05/48/52/218054852.db2.gz WBVDNGCSGXOHBO-HNNXBMFYSA-N 1 3 329.492 3.119 10 0 EGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccccc1F ZINC000268766443 141059000 /nfs/dbraw/zinc/05/90/00/141059000.db2.gz BYQGRXCCDXSSPL-TYCQWZJGSA-N 1 3 342.458 3.359 10 0 EGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccccc1F ZINC000268766443 141059001 /nfs/dbraw/zinc/05/90/01/141059001.db2.gz BYQGRXCCDXSSPL-TYCQWZJGSA-N 1 3 342.458 3.359 10 0 EGAEHO CC[C@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119628572 152218418 /nfs/dbraw/zinc/21/84/18/152218418.db2.gz WEPUDEGAUGALSR-JGUMPVPUSA-N 1 3 327.516 3.381 10 0 EGAEHO CC[C@H](c1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119628572 152218423 /nfs/dbraw/zinc/21/84/23/152218423.db2.gz WEPUDEGAUGALSR-JGUMPVPUSA-N 1 3 327.516 3.381 10 0 EGAEHO c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000336876258 154226018 /nfs/dbraw/zinc/22/60/18/154226018.db2.gz BXVOCSUFYJHWBI-KZNAEPCWSA-N 1 3 326.488 3.327 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+](CC)C[C@@H]2CCCO2)CC1 ZINC000352649758 156399367 /nfs/dbraw/zinc/39/93/67/156399367.db2.gz OJBPGWHSVSTJQM-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+](CC)C[C@@H]2CCCO2)CC1 ZINC000352649758 156399369 /nfs/dbraw/zinc/39/93/69/156399369.db2.gz OJBPGWHSVSTJQM-FQEVSTJZSA-N 1 3 345.531 3.220 10 0 EGAEHO CCC[NH+]1CCC(CN[C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405272 162009092 /nfs/dbraw/zinc/00/90/92/162009092.db2.gz PZSKHUCEMIXPMD-HNNXBMFYSA-N 1 3 329.492 3.119 10 0 EGAEHO CCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248880151 163041134 /nfs/dbraw/zinc/04/11/34/163041134.db2.gz KLIJHZMILORTMQ-BURNTYAHSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000248880151 163041137 /nfs/dbraw/zinc/04/11/37/163041137.db2.gz KLIJHZMILORTMQ-BURNTYAHSA-N 1 3 327.516 3.256 10 0 EGAEHO CCN1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248880151 163041138 /nfs/dbraw/zinc/04/11/38/163041138.db2.gz KLIJHZMILORTMQ-BURNTYAHSA-N 1 3 327.516 3.256 10 0 EGAEHO CN(CCc1cccnc1)[C@H]1CCC[N@H+](CCc2cccnc2)CC1 ZINC000338940020 163393993 /nfs/dbraw/zinc/39/39/93/163393993.db2.gz QXGMLIHYNMSNAL-NRFANRHFSA-N 1 3 338.499 3.048 10 0 EGAEHO CN(CCc1cccnc1)[C@H]1CCC[N@@H+](CCc2cccnc2)CC1 ZINC000338940020 163393996 /nfs/dbraw/zinc/39/39/96/163393996.db2.gz QXGMLIHYNMSNAL-NRFANRHFSA-N 1 3 338.499 3.048 10 0 EGAEHO Cc1nn(-c2ccncc2)cc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000346169630 164355364 /nfs/dbraw/zinc/35/53/64/164355364.db2.gz MILAJKHBEXZFIH-UHFFFAOYSA-N 1 3 341.503 3.130 10 0 EGAEHO CC(C)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000359226873 167101482 /nfs/dbraw/zinc/10/14/82/167101482.db2.gz GQZWEGLPIPMRCR-LEWJYISDSA-N 1 3 339.483 3.135 10 0 EGAEHO CC(C)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000359226873 167101486 /nfs/dbraw/zinc/10/14/86/167101486.db2.gz GQZWEGLPIPMRCR-LEWJYISDSA-N 1 3 339.483 3.135 10 0 EGAEHO c1ccc(CN2CCC([NH2+]C3CC(N4CCCCC4)C3)CC2)cc1 ZINC000366892164 168153488 /nfs/dbraw/zinc/15/34/88/168153488.db2.gz YSDXTONVQFUNQX-UHFFFAOYSA-N 1 3 327.516 3.258 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367592763 168246160 /nfs/dbraw/zinc/24/61/60/168246160.db2.gz FFUCRYZCBYXHPO-HLAWJBBLSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367592763 168246162 /nfs/dbraw/zinc/24/61/62/168246162.db2.gz FFUCRYZCBYXHPO-HLAWJBBLSA-N 1 3 339.483 3.416 10 0 EGAEHO Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)on1 ZINC000367592763 168246163 /nfs/dbraw/zinc/24/61/63/168246163.db2.gz FFUCRYZCBYXHPO-HLAWJBBLSA-N 1 3 339.483 3.416 10 0 EGAEHO CN1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367624680 168251265 /nfs/dbraw/zinc/25/12/65/168251265.db2.gz WOUSHNZOXHVVTG-UFYCRDLUSA-N 1 3 341.499 3.388 10 0 EGAEHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000287243670 276100222 /nfs/dbraw/zinc/10/02/22/276100222.db2.gz YYNFKTXHDKNCON-COPCDDAFSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287243670 276100224 /nfs/dbraw/zinc/10/02/24/276100224.db2.gz YYNFKTXHDKNCON-COPCDDAFSA-N 1 3 338.495 3.090 10 0 EGAEHO C[C@@H](NC[C@@H](O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287243670 276100225 /nfs/dbraw/zinc/10/02/25/276100225.db2.gz YYNFKTXHDKNCON-COPCDDAFSA-N 1 3 338.495 3.090 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000131619072 276365634 /nfs/dbraw/zinc/36/56/34/276365634.db2.gz PTZHOHFSZICJIR-BQFCYCMXSA-N 1 3 349.544 3.122 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000131619072 276365635 /nfs/dbraw/zinc/36/56/35/276365635.db2.gz PTZHOHFSZICJIR-BQFCYCMXSA-N 1 3 349.544 3.122 10 0 EGAEHO CO[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000249156193 277299761 /nfs/dbraw/zinc/29/97/61/277299761.db2.gz IHKBPJMWKWQVDX-DYESRHJHSA-N 1 3 345.531 3.074 10 0 EGAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1 ZINC000266073743 279397666 /nfs/dbraw/zinc/39/76/66/279397666.db2.gz KXJDVPNLPQGNPC-FXAWDEMLSA-N 1 3 343.515 3.085 10 0 EGAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1 ZINC000266073743 279397667 /nfs/dbraw/zinc/39/76/67/279397667.db2.gz KXJDVPNLPQGNPC-FXAWDEMLSA-N 1 3 343.515 3.085 10 0 EGAEHO Cc1cc(CNCCC[NH2+]Cc2cccnc2)ccc1Br ZINC000414886210 309107278 /nfs/dbraw/zinc/10/72/78/309107278.db2.gz VOSQGVMJMBCSSR-UHFFFAOYSA-N 1 3 348.288 3.422 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415896217 309146642 /nfs/dbraw/zinc/14/66/42/309146642.db2.gz CZQQMIJURKIUOP-CALCHBBNSA-N 1 3 346.519 3.286 10 0 EGAEHO CNCc1ccccc1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415896217 309146643 /nfs/dbraw/zinc/14/66/43/309146643.db2.gz CZQQMIJURKIUOP-CALCHBBNSA-N 1 3 346.519 3.286 10 0 EGAEHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000415944315 309150404 /nfs/dbraw/zinc/15/04/04/309150404.db2.gz OYPXQBGTSAPDOW-UHFFFAOYSA-N 1 3 346.519 3.382 10 0 EGAEHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415996925 309153806 /nfs/dbraw/zinc/15/38/06/309153806.db2.gz OJCVUAODVAMDSB-UHFFFAOYSA-N 1 3 344.503 3.266 10 0 EGAEHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415996925 309153807 /nfs/dbraw/zinc/15/38/07/309153807.db2.gz OJCVUAODVAMDSB-UHFFFAOYSA-N 1 3 344.503 3.266 10 0 EGAEHO CCN1CCC([N@@H+]2CCCN([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000420984411 309305856 /nfs/dbraw/zinc/30/58/56/309305856.db2.gz TUCCKEIBCQPQET-GOSISDBHSA-N 1 3 345.531 3.248 10 0 EGAEHO CCN1CCC([N@H+]2CCCN([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000420984411 309305857 /nfs/dbraw/zinc/30/58/57/309305857.db2.gz TUCCKEIBCQPQET-GOSISDBHSA-N 1 3 345.531 3.248 10 0 EGAEHO N[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720434 309364967 /nfs/dbraw/zinc/36/49/67/309364967.db2.gz ZOEDQZUAZFQMDZ-DLBZAZTESA-N 1 3 341.421 3.139 10 0 EGAEHO [NH3+][C@H]1CCC[C@H]1NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720434 309364968 /nfs/dbraw/zinc/36/49/68/309364968.db2.gz ZOEDQZUAZFQMDZ-DLBZAZTESA-N 1 3 341.421 3.139 10 0 EGAEHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726632 309365416 /nfs/dbraw/zinc/36/54/16/309365416.db2.gz FQJXDDAVGDCPIJ-MRXNPFEDSA-N 1 3 338.499 3.164 10 0 EGAEHO CCOC(=O)C1([C@H](C)NCc2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422740718 309366097 /nfs/dbraw/zinc/36/60/97/309366097.db2.gz CJMIZAGUWJZXGF-HNNXBMFYSA-N 1 3 344.455 3.152 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422752891 309366589 /nfs/dbraw/zinc/36/65/89/309366589.db2.gz HSQXUZXJLJLPMS-CQSZACIVSA-N 1 3 337.471 3.248 10 0 EGAEHO COc1cccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422779110 309367843 /nfs/dbraw/zinc/36/78/43/309367843.db2.gz BKLDOSGUDHOUPT-HUYLIWGRSA-N 1 3 332.488 3.363 10 0 EGAEHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866356 309372807 /nfs/dbraw/zinc/37/28/07/309372807.db2.gz QGFZBZJQSGZPCZ-NXOUGTEYSA-N 1 3 329.394 3.278 10 0 EGAEHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913439 309376124 /nfs/dbraw/zinc/37/61/24/309376124.db2.gz YJGJPQCBJIDCFA-KYNGSXCRSA-N 1 3 337.458 3.179 10 0 EGAEHO Fc1ccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934605 309376922 /nfs/dbraw/zinc/37/69/22/309376922.db2.gz GAYXVVAGOMSPEI-AZUAARDMSA-N 1 3 342.414 3.050 10 0 EGAEHO COC[C@@H](CCC[NH3+])N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033681 309381971 /nfs/dbraw/zinc/38/19/71/309381971.db2.gz ZPCRZRFPAVLKGL-MJGOQNOKSA-N 1 3 347.890 3.362 10 0 EGAEHO FC(F)(F)C1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108398 309386340 /nfs/dbraw/zinc/38/63/40/309386340.db2.gz MAXPQBLTIDHMNY-CZUORRHYSA-N 1 3 326.362 3.174 10 0 EGAEHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423267268 309393142 /nfs/dbraw/zinc/39/31/42/309393142.db2.gz CQQGKLCYAZCQHF-GRDNDAEWSA-N 1 3 337.305 3.414 10 0 EGAEHO CN(C)CCc1ccccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427514415 309530235 /nfs/dbraw/zinc/53/02/35/309530235.db2.gz CIKFXDAHDZVUCD-UHFFFAOYSA-N 1 3 331.504 3.241 10 0 EGAEHO C[C@H](Cc1ccoc1)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000449088634 310036260 /nfs/dbraw/zinc/03/62/60/310036260.db2.gz IJFXAKANWLISQS-LJQANCHMSA-N 1 3 341.499 3.403 10 0 EGAEHO CCN1CCC[C@H](C[NH2+]C2CCN([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449108864 310037720 /nfs/dbraw/zinc/03/77/20/310037720.db2.gz WJQMVXXNTFGYBD-PZJWPPBQSA-N 1 3 343.559 3.404 10 0 EGAEHO C[C@@H](CC[S@](C)=O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449184268 310042771 /nfs/dbraw/zinc/04/27/71/310042771.db2.gz HDSCWKPDMMVQMI-NYHFZMIOSA-N 1 3 330.582 3.412 10 0 EGAEHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCn3ccnc3C2)CC1 ZINC000449257546 310048091 /nfs/dbraw/zinc/04/80/91/310048091.db2.gz IZBPVEQUNUIYPS-QGZVFWFLSA-N 1 3 332.536 3.467 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000449727891 310082728 /nfs/dbraw/zinc/08/27/28/310082728.db2.gz SFAUMCDEARRQLH-UHFFFAOYSA-N 1 3 347.547 3.105 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000453223710 310265048 /nfs/dbraw/zinc/26/50/48/310265048.db2.gz SGTISRORFBRBRX-KRWDZBQOSA-N 1 3 334.504 3.484 10 0 EGAEHO COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459542744 310559674 /nfs/dbraw/zinc/55/96/74/310559674.db2.gz LWZNYUTYNMVUJG-LJQANCHMSA-N 1 3 341.430 3.475 10 0 EGAEHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000459660448 310566987 /nfs/dbraw/zinc/56/69/87/310566987.db2.gz OIYREZRTZBHBOW-OXQOHEQNSA-N 1 3 326.488 3.467 10 0 EGAEHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000529722827 313399380 /nfs/dbraw/zinc/39/93/80/313399380.db2.gz NDGRBGFMXLTWCO-FXAWDEMLSA-N 1 3 347.547 3.164 10 0 EGAEHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000529722827 313399384 /nfs/dbraw/zinc/39/93/84/313399384.db2.gz NDGRBGFMXLTWCO-FXAWDEMLSA-N 1 3 347.547 3.164 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@H]2CCC[C@@H]21 ZINC000552066906 315194849 /nfs/dbraw/zinc/19/48/49/315194849.db2.gz UIHOGEBNLIFBQE-HOJAQTOUSA-N 1 3 347.934 3.161 10 0 EGAEHO C[N@H+]1CC[C@H](NCCN2CCc3c(Cl)cccc3C2)[C@H]2CCC[C@@H]21 ZINC000552066906 315194850 /nfs/dbraw/zinc/19/48/50/315194850.db2.gz UIHOGEBNLIFBQE-HOJAQTOUSA-N 1 3 347.934 3.161 10 0 EGAEHO [NH3+]CCc1ccccc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000565375013 316316486 /nfs/dbraw/zinc/31/64/86/316316486.db2.gz XIJPROZMPVNZFQ-UHFFFAOYSA-N 1 3 337.467 3.426 10 0 EGAEHO FC(F)(F)c1ccn(-c2ccc(CNCCC[NH+]3CCC3)cc2)n1 ZINC000565666473 316354463 /nfs/dbraw/zinc/35/44/63/316354463.db2.gz LVFLMTXJVCDOSN-UHFFFAOYSA-N 1 3 338.377 3.077 10 0 EGAEHO C[N@@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000579361889 325100204 /nfs/dbraw/zinc/10/02/04/325100204.db2.gz JAQYXSJPMMKVKY-QEJZJMRPSA-N 1 3 343.302 3.263 10 0 EGAEHO C[N@H+]1CC[C@H](NCCNc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000579361889 325100206 /nfs/dbraw/zinc/10/02/06/325100206.db2.gz JAQYXSJPMMKVKY-QEJZJMRPSA-N 1 3 343.302 3.263 10 0 EGAEHO c1nc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cs1 ZINC000241383376 455267407 /nfs/dbraw/zinc/26/74/07/455267407.db2.gz MUYFVQRVMNTVMC-QXAKKESOSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000241383376 455267409 /nfs/dbraw/zinc/26/74/09/455267409.db2.gz MUYFVQRVMNTVMC-QXAKKESOSA-N 1 3 327.497 3.186 10 0 EGAEHO c1nc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000241383376 455267414 /nfs/dbraw/zinc/26/74/14/455267414.db2.gz MUYFVQRVMNTVMC-QXAKKESOSA-N 1 3 327.497 3.186 10 0 EGAEHO CN(C)CC[NH+]1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000075669259 453915445 /nfs/dbraw/zinc/91/54/45/453915445.db2.gz FCDNUZNNZXGGLG-UHFFFAOYSA-N 1 3 332.879 3.326 10 0 EGAEHO C[NH+](C)CCN1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000075669259 453915447 /nfs/dbraw/zinc/91/54/47/453915447.db2.gz FCDNUZNNZXGGLG-UHFFFAOYSA-N 1 3 332.879 3.326 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](COCC)C2)CC1 ZINC000093838985 454739922 /nfs/dbraw/zinc/73/99/22/454739922.db2.gz YTTYDODVYFXVRV-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](COCC)C2)CC1 ZINC000093838985 454739927 /nfs/dbraw/zinc/73/99/27/454739927.db2.gz YTTYDODVYFXVRV-LJQANCHMSA-N 1 3 345.531 3.077 10 0 EGAEHO c1ccc(CN2CCCCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635024251 460660319 /nfs/dbraw/zinc/66/03/19/460660319.db2.gz VEDRBQHSWAUMGC-HWPVKAJDSA-N 1 3 327.516 3.304 10 0 EGAEHO C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000245845957 455384724 /nfs/dbraw/zinc/38/47/24/455384724.db2.gz JHLJTXCGTSDYAE-YRPNKDGESA-N 1 3 349.563 3.362 10 0 EGAEHO C[NH+]1CCC(C)(CNCc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000606445544 460672361 /nfs/dbraw/zinc/67/23/61/460672361.db2.gz XJTDHGVHNOAOMR-UHFFFAOYSA-N 1 3 344.425 3.060 10 0 EGAEHO OCCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000250103280 455784582 /nfs/dbraw/zinc/78/45/82/455784582.db2.gz RTHZYOGYCFTYBW-HSALFYBXSA-N 1 3 328.500 3.039 10 0 EGAEHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262629444 456048211 /nfs/dbraw/zinc/04/82/11/456048211.db2.gz DJOOPKSEUJHNQS-KANFNMMFSA-N 1 3 343.515 3.153 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)[nH]n1 ZINC000272766940 456065175 /nfs/dbraw/zinc/06/51/75/456065175.db2.gz MGYBOUOZJFDAGP-VDZJLULYSA-N 1 3 326.488 3.149 10 0 EGAEHO Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n[nH]1 ZINC000272766940 456065177 /nfs/dbraw/zinc/06/51/77/456065177.db2.gz MGYBOUOZJFDAGP-VDZJLULYSA-N 1 3 326.488 3.149 10 0 EGAEHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189068456 456218336 /nfs/dbraw/zinc/21/83/36/456218336.db2.gz UOLUDVSYPUWIMZ-KRWDZBQOSA-N 1 3 344.421 3.144 10 0 EGAEHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189068456 456218341 /nfs/dbraw/zinc/21/83/41/456218341.db2.gz UOLUDVSYPUWIMZ-KRWDZBQOSA-N 1 3 344.421 3.144 10 0 EGAEHO CN1CCC[C@@H]1CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282427191 456510092 /nfs/dbraw/zinc/51/00/92/456510092.db2.gz HDEFHFCXSHMTBX-GOSISDBHSA-N 1 3 331.479 3.137 10 0 EGAEHO CN(c1ccccc1CN[C@@H]1CSC1(C)C)C1CC[NH+](C)CC1 ZINC000282654720 456582813 /nfs/dbraw/zinc/58/28/13/456582813.db2.gz IDLFFSGYVBBPOB-GOSISDBHSA-N 1 3 333.545 3.201 10 0 EGAEHO CCOc1c(OC)cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1OC ZINC000353494452 456713274 /nfs/dbraw/zinc/71/32/74/456713274.db2.gz CTEXHFGDJFMKMP-BBWFWOEESA-N 1 3 348.487 3.065 10 0 EGAEHO O[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)CN1CCCC1 ZINC000341662858 456889570 /nfs/dbraw/zinc/88/95/70/456889570.db2.gz XVQDCRQPEVVMIH-RTWAWAEBSA-N 1 3 342.458 3.156 10 0 EGAEHO Cc1noc(CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000354155391 457097578 /nfs/dbraw/zinc/09/75/78/457097578.db2.gz LWJWXERIPMPEPQ-YQQQUEKLSA-N 1 3 340.471 3.096 10 0 EGAEHO Cc1noc(CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000354155391 457097585 /nfs/dbraw/zinc/09/75/85/457097585.db2.gz LWJWXERIPMPEPQ-YQQQUEKLSA-N 1 3 340.471 3.096 10 0 EGAEHO O=C(CN1CCC[C@H]1CCC1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000362953515 457172609 /nfs/dbraw/zinc/17/26/09/457172609.db2.gz ZSRZRWAUHRGPDE-IBGZPJMESA-N 1 3 347.547 3.164 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000386208579 457428679 /nfs/dbraw/zinc/42/86/79/457428679.db2.gz MKXPCXVCBPBKPZ-YPAWHYETSA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000386208579 457428688 /nfs/dbraw/zinc/42/86/88/457428688.db2.gz MKXPCXVCBPBKPZ-YPAWHYETSA-N 1 3 336.479 3.179 10 0 EGAEHO OCc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000386208579 457428699 /nfs/dbraw/zinc/42/86/99/457428699.db2.gz MKXPCXVCBPBKPZ-YPAWHYETSA-N 1 3 336.479 3.179 10 0 EGAEHO Cc1cc2c(cc1C)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCO2 ZINC000374231626 457536320 /nfs/dbraw/zinc/53/63/20/457536320.db2.gz RNFYOZBAAXFFKU-LJQANCHMSA-N 1 3 345.531 3.133 10 0 EGAEHO COc1ccc(C[C@H](C)NC2CC([NH+]3CCCCC3)C2)cc1OC ZINC000370120291 457553570 /nfs/dbraw/zinc/55/35/70/457553570.db2.gz ISUNOXOTNHOPIO-ZLPCBKJTSA-N 1 3 332.488 3.241 10 0 EGAEHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CS1 ZINC000364862674 457708543 /nfs/dbraw/zinc/70/85/43/457708543.db2.gz RIKKQWZITKIRMJ-QZTJIDSGSA-N 1 3 339.593 3.056 10 0 EGAEHO C[C@@H]1CC(C)(C)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000412030697 458053186 /nfs/dbraw/zinc/05/31/86/458053186.db2.gz ACQZRZFKDFCANV-QGZVFWFLSA-N 1 3 343.515 3.019 10 0 EGAEHO CC(C)N(Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC(=O)N1 ZINC000412083269 458085593 /nfs/dbraw/zinc/08/55/93/458085593.db2.gz PSKPBAGDDDVSIT-FQEVSTJZSA-N 1 3 343.515 3.162 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000436303909 458286152 /nfs/dbraw/zinc/28/61/52/458286152.db2.gz CQGBENOXPRMYRO-FPAYPSAMSA-N 1 3 336.520 3.351 10 0 EGAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000436303909 458286157 /nfs/dbraw/zinc/28/61/57/458286157.db2.gz CQGBENOXPRMYRO-FPAYPSAMSA-N 1 3 336.520 3.351 10 0 EGAEHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1c(C)nn(C)c1C ZINC000436471073 458308807 /nfs/dbraw/zinc/30/88/07/458308807.db2.gz QFLJNFFHPPWQJF-SFHVURJKSA-N 1 3 327.476 3.142 10 0 EGAEHO CN(C)CCNC(=O)c1ccc(C[NH2+]CC2(C)CCCCCC2)cc1 ZINC000503575389 458715976 /nfs/dbraw/zinc/71/59/76/458715976.db2.gz CSOGTJKBHLSABM-UHFFFAOYSA-N 1 3 345.531 3.428 10 0 EGAEHO CC(C)Oc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242466 458728211 /nfs/dbraw/zinc/72/82/11/458728211.db2.gz STXOOZMMYQVCQG-HXUWFJFHSA-N 1 3 332.488 3.064 10 0 EGAEHO CCCCOc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247972 458730049 /nfs/dbraw/zinc/73/00/49/458730049.db2.gz FMJUCOAGFNYYAS-HXUWFJFHSA-N 1 3 346.515 3.456 10 0 EGAEHO CC(C)N1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000566482156 458946997 /nfs/dbraw/zinc/94/69/97/458946997.db2.gz MMFBYRKSFZVOCM-VVWQDTPRSA-N 1 3 337.458 3.348 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000558652247 459189877 /nfs/dbraw/zinc/18/98/77/459189877.db2.gz HZVKPPRNWQEADA-ROUUACIJSA-N 1 3 343.515 3.019 10 0 EGAEHO C[C@H]1CCN(CC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000558652247 459189885 /nfs/dbraw/zinc/18/98/85/459189885.db2.gz HZVKPPRNWQEADA-ROUUACIJSA-N 1 3 343.515 3.019 10 0 EGAEHO CC[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)N1CCCC1 ZINC000480794398 459220198 /nfs/dbraw/zinc/22/01/98/459220198.db2.gz JALCZYSETDFXLA-TYPHKJRUSA-N 1 3 329.532 3.361 10 0 EGAEHO CN1CCN(CCCC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000582034749 459294847 /nfs/dbraw/zinc/29/48/47/459294847.db2.gz PZSNMPLEWJESJL-UHFFFAOYSA-N 1 3 331.548 3.144 10 0 EGAEHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCCCNC1 ZINC000582653721 459402739 /nfs/dbraw/zinc/40/27/39/459402739.db2.gz GFDKDZUGHPQKRY-CHWSQXEVSA-N 1 3 343.393 3.154 10 0 EGAEHO CC(C)(C)NC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499153886 459623168 /nfs/dbraw/zinc/62/31/68/459623168.db2.gz BFOPVGIAYWCFGT-REPLKXPHSA-N 1 3 343.515 3.076 10 0 EGAEHO CC(C)(C)NC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499153886 459623174 /nfs/dbraw/zinc/62/31/74/459623174.db2.gz BFOPVGIAYWCFGT-REPLKXPHSA-N 1 3 343.515 3.076 10 0 EGAEHO CC(C)(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H](N)c1ccccc1 ZINC000562809380 459652027 /nfs/dbraw/zinc/65/20/27/459652027.db2.gz RQCBAMRDIOLBKK-GOSISDBHSA-N 1 3 341.430 3.136 10 0 EGAEHO C[NH+]1CCC(CNCc2ccc(Br)c(F)c2F)CC1 ZINC000527652157 459685754 /nfs/dbraw/zinc/68/57/54/459685754.db2.gz BYWZDLJGGODJOF-UHFFFAOYSA-N 1 3 333.220 3.159 10 0 EGAEHO c1ccc(CN2CC[C@@H]([NH2+]CCCN3CCCC3)CC23CC3)cc1 ZINC000563119635 459718101 /nfs/dbraw/zinc/71/81/01/459718101.db2.gz AMGKDAMDMXAHDR-HXUWFJFHSA-N 1 3 327.516 3.259 10 0 EGAEHO COc1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000527988508 459788642 /nfs/dbraw/zinc/78/86/42/459788642.db2.gz SWRXNONBILVABL-APWZRJJASA-N 1 3 331.504 3.265 10 0 EGAEHO C[N@@H+]1CC[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC1(C)C ZINC000623942888 460788916 /nfs/dbraw/zinc/78/89/16/460788916.db2.gz XMNOLVRGLJINPH-HXUWFJFHSA-N 1 3 345.531 3.176 10 0 EGAEHO C[N@H+]1CC[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC1(C)C ZINC000623942888 460788921 /nfs/dbraw/zinc/78/89/21/460788921.db2.gz XMNOLVRGLJINPH-HXUWFJFHSA-N 1 3 345.531 3.176 10 0 EGAEHO NC1(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CCOCC1 ZINC000629520126 460793090 /nfs/dbraw/zinc/79/30/90/460793090.db2.gz KPVBDUXXBDSMNF-LJQANCHMSA-N 1 3 328.431 3.207 10 0 EGAEHO C[NH2+]CCOCCN[C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629528686 460797747 /nfs/dbraw/zinc/79/77/47/460797747.db2.gz GSGCTVYHCIEXQC-OAHLLOKOSA-N 1 3 349.475 3.152 10 0 EGAEHO CC[NH+](CC)CC1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000607151935 460799677 /nfs/dbraw/zinc/79/96/77/460799677.db2.gz XUGJASFHAZVUJC-UHFFFAOYSA-N 1 3 342.487 3.333 10 0 EGAEHO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249734 461141837 /nfs/dbraw/zinc/14/18/37/461141837.db2.gz YZXSHESYEPJJJD-MOPGFXCFSA-N 1 3 330.472 3.133 10 0 EGAEHO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662249734 461141844 /nfs/dbraw/zinc/14/18/44/461141844.db2.gz YZXSHESYEPJJJD-MOPGFXCFSA-N 1 3 330.472 3.133 10 0 EGAEHO Fc1cccc(CC[N@H+](C[C@H]2CCC3(CNC3)O2)C2CCCC2)c1 ZINC000662258542 461148339 /nfs/dbraw/zinc/14/83/39/461148339.db2.gz JRUWBIPHBIHYGK-LJQANCHMSA-N 1 3 332.463 3.134 10 0 EGAEHO Fc1cccc(CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C2CCCC2)c1 ZINC000662258542 461148344 /nfs/dbraw/zinc/14/83/44/461148344.db2.gz JRUWBIPHBIHYGK-LJQANCHMSA-N 1 3 332.463 3.134 10 0 EGAEHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc(F)cc3cccnc32)C1 ZINC000652363040 461156618 /nfs/dbraw/zinc/15/66/18/461156618.db2.gz VZYLBQCLAWGHLC-QYZOEREBSA-N 1 3 343.446 3.235 10 0 EGAEHO CC[NH+](CC)CCOc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000662672557 461344201 /nfs/dbraw/zinc/34/42/01/461344201.db2.gz BOWASWINOJXQNG-UHFFFAOYSA-N 1 3 345.487 3.007 10 0 EGAEHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)ccn1 ZINC000655779480 461443903 /nfs/dbraw/zinc/44/39/03/461443903.db2.gz MFDOVKYSVXMENE-LZQZEXGQSA-N 1 3 325.456 3.086 10 0 EGAEHO Cc1c([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000655805092 461464260 /nfs/dbraw/zinc/46/42/60/461464260.db2.gz BQNYBKMTSCMWDD-MRRJBJDNSA-N 1 3 347.894 3.220 10 0 EGAEHO CN1CCC(N2CC[C@H]([NH2+][C@@H](C3CCC3)C3CCCCC3)C2)CC1 ZINC000643883254 461826203 /nfs/dbraw/zinc/82/62/03/461826203.db2.gz GSVMWKVFFRHDLG-PZJWPPBQSA-N 1 3 333.564 3.494 10 0 EGAEHO CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccccc1C[NH2+]C ZINC000650719191 461911214 /nfs/dbraw/zinc/91/12/14/461911214.db2.gz HEISDPDZZMCARC-MRXNPFEDSA-N 1 3 339.483 3.475 10 0 EGAEHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000650757816 461938949 /nfs/dbraw/zinc/93/89/49/461938949.db2.gz BIHOITGKUFBRTB-HNNXBMFYSA-N 1 3 326.440 3.418 10 0 EGAEHO CC[N@H+](C)Cc1cccc(CNCc2ccnn2-c2ccncc2)c1 ZINC000657348371 462062835 /nfs/dbraw/zinc/06/28/35/462062835.db2.gz TXQHBYBJSVSRRP-UHFFFAOYSA-N 1 3 335.455 3.009 10 0 EGAEHO CC[N@@H+](C)Cc1cccc(CNCc2ccnn2-c2ccncc2)c1 ZINC000657348371 462062838 /nfs/dbraw/zinc/06/28/38/462062838.db2.gz TXQHBYBJSVSRRP-UHFFFAOYSA-N 1 3 335.455 3.009 10 0 EGAEHO Cc1ccc2cc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000657368463 462076125 /nfs/dbraw/zinc/07/61/25/462076125.db2.gz WWTBQNOZANCBEM-IRXDYDNUSA-N 1 3 329.488 3.455 10 0 EGAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C[C@H](C)O1 ZINC000648515093 462156194 /nfs/dbraw/zinc/15/61/94/462156194.db2.gz UUYSRAQLRODBNB-HWGFASNLSA-N 1 3 328.500 3.443 10 0 EGAEHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677524 462300162 /nfs/dbraw/zinc/30/01/62/462300162.db2.gz LBPUGMNOTWSAFZ-CJNGLKHVSA-N 1 3 339.886 3.082 10 0 EGAEHO OC[C@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713791 462312296 /nfs/dbraw/zinc/31/22/96/462312296.db2.gz DOTGESZRRRAQPY-ZBFHGGJFSA-N 1 3 340.870 3.293 10 0 EGAEHO OC[C@H]1CCC[N@H+]1CCCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713791 462312301 /nfs/dbraw/zinc/31/23/01/462312301.db2.gz DOTGESZRRRAQPY-ZBFHGGJFSA-N 1 3 340.870 3.293 10 0 EGAEHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1cnc2ccsc2c1 ZINC000658108759 462389020 /nfs/dbraw/zinc/38/90/20/462389020.db2.gz QDGFXSZHWXNANA-GJZGRUSLSA-N 1 3 334.533 3.219 10 0 EGAEHO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658137405 462400171 /nfs/dbraw/zinc/40/01/71/462400171.db2.gz KRSRCVSQJJVPAO-ZRNYENFQSA-N 1 3 328.500 3.168 10 0 EGAEHO O[C@@H]1CC[N@H+](Cc2ccc(CN[C@@H]3CCCc4sccc43)cc2)C1 ZINC000658136672 462400695 /nfs/dbraw/zinc/40/06/95/462400695.db2.gz DSZOLJGWMMFKSL-IEBWSBKVSA-N 1 3 342.508 3.482 10 0 EGAEHO O[C@@H]1CC[N@@H+](Cc2ccc(CN[C@@H]3CCCc4sccc43)cc2)C1 ZINC000658136672 462400698 /nfs/dbraw/zinc/40/06/98/462400698.db2.gz DSZOLJGWMMFKSL-IEBWSBKVSA-N 1 3 342.508 3.482 10 0 EGAEHO O[C@H]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139210 462402782 /nfs/dbraw/zinc/40/27/82/462402782.db2.gz PKTFCVLULKNFKF-VXKWHMMOSA-N 1 3 336.479 3.494 10 0 EGAEHO FC1(F)C[C@H]1OCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168633 462416404 /nfs/dbraw/zinc/41/64/04/462416404.db2.gz IPUUIELSWNNOCW-HQSKLWIPSA-N 1 3 336.426 3.196 10 0 EGAEHO FC1(F)C[C@H]1OCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658168633 462416406 /nfs/dbraw/zinc/41/64/06/462416406.db2.gz IPUUIELSWNNOCW-HQSKLWIPSA-N 1 3 336.426 3.196 10 0 EGAEHO O[C@H]1CC[N@@H+](C2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000662150292 462531846 /nfs/dbraw/zinc/53/18/46/462531846.db2.gz UKKIDPGZTXXQNU-QFUCXCTJSA-N 1 3 328.500 3.101 10 0 EGAEHO O[C@H]1CC[N@H+](C2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000662150292 462531847 /nfs/dbraw/zinc/53/18/47/462531847.db2.gz UKKIDPGZTXXQNU-QFUCXCTJSA-N 1 3 328.500 3.101 10 0 EGAEHO CCCN1CCN(c2ccccc2C[NH2+]CCC2(OC)CCC2)CC1 ZINC000339455206 534936317 /nfs/dbraw/zinc/93/63/17/534936317.db2.gz PFMCKEWPHGUXCZ-UHFFFAOYSA-N 1 3 345.531 3.267 10 0 EGAEHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000266119062 536403281 /nfs/dbraw/zinc/40/32/81/536403281.db2.gz IOXNMVPEMIWTCV-FQEVSTJZSA-N 1 3 343.515 3.229 10 0 EGAEHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000266119062 536403283 /nfs/dbraw/zinc/40/32/83/536403283.db2.gz IOXNMVPEMIWTCV-FQEVSTJZSA-N 1 3 343.515 3.229 10 0 EGAEHO CN1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000180139079 547053032 /nfs/dbraw/zinc/05/30/32/547053032.db2.gz WASIGCXEHVAHAI-WVVQBRDUSA-N 1 3 327.516 3.113 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068275 547568141 /nfs/dbraw/zinc/56/81/41/547568141.db2.gz NZPPWCQKUNNNSY-PCCBWWKXSA-N 1 3 327.516 3.258 10 0 EGAEHO c1ccc(CN2CCCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339068275 547568144 /nfs/dbraw/zinc/56/81/44/547568144.db2.gz NZPPWCQKUNNNSY-PCCBWWKXSA-N 1 3 327.516 3.258 10 0 EGAEHO Cn1cc([C@H](NCc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C)cn1 ZINC000673931631 548655756 /nfs/dbraw/zinc/65/57/56/548655756.db2.gz JZJPSGIRFGPKNG-IBGZPJMESA-N 1 3 344.503 3.238 10 0 EGAEHO CC[NH+]1CCC(CN[C@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000675818899 548988114 /nfs/dbraw/zinc/98/81/14/548988114.db2.gz NDQXMUCUKCKLEO-CQSZACIVSA-N 1 3 347.894 3.303 10 0 EGAEHO CN1CCN(CC2(C)CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000682077313 550069833 /nfs/dbraw/zinc/06/98/33/550069833.db2.gz OZHAXJXEPKRAMV-HXUWFJFHSA-N 1 3 327.516 3.023 10 0 EGAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc2cnccc21 ZINC000685455973 550418444 /nfs/dbraw/zinc/41/84/44/550418444.db2.gz GHBJHHIAVDHHMJ-FQEVSTJZSA-N 1 3 340.515 3.083 10 0 EGAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc2cnccc21 ZINC000685455973 550418446 /nfs/dbraw/zinc/41/84/46/550418446.db2.gz GHBJHHIAVDHHMJ-FQEVSTJZSA-N 1 3 340.515 3.083 10 0 EGAEHO CN1CCC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638653 1297097289 /nfs/dbraw/zinc/09/72/89/1297097289.db2.gz GGEIWYWIWPGVCX-ZWKOTPCHSA-N 1 3 347.503 3.326 10 0 EGAEHO CC[NH+](CC)CCCN[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029296 1297723549 /nfs/dbraw/zinc/72/35/49/1297723549.db2.gz IUGMHPGBYQIMGT-JKSUJKDBSA-N 1 3 327.513 3.096 10 0 EGAEHO c1csc(C[N@H+]2CCC[C@@H](CNCc3cn4ccnc4s3)C2)c1 ZINC000892738264 1305529852 /nfs/dbraw/zinc/52/98/52/1305529852.db2.gz UHJREQGOZKGYHL-AWEZNQCLSA-N 1 3 346.525 3.459 10 0 EGAEHO c1csc(C[N@@H+]2CCC[C@@H](CNCc3cn4ccnc4s3)C2)c1 ZINC000892738264 1305529856 /nfs/dbraw/zinc/52/98/56/1305529856.db2.gz UHJREQGOZKGYHL-AWEZNQCLSA-N 1 3 346.525 3.459 10 0 EGAEHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000930130666 1328793172 /nfs/dbraw/zinc/79/31/72/1328793172.db2.gz RXDYQUOJQZREEL-SOAGJPPSSA-N 1 3 333.564 3.303 10 0 EGAEHO CC(C)Cc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930135872 1328795118 /nfs/dbraw/zinc/79/51/18/1328795118.db2.gz HMYHACDGQNWDIY-DENIHFKCSA-N 1 3 343.559 3.343 10 0 EGAEHO c1cc(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)sn1 ZINC000930458124 1328860969 /nfs/dbraw/zinc/86/09/69/1328860969.db2.gz RPKVAZHETUMZJF-IBGZPJMESA-N 1 3 327.497 3.284 10 0 EGAEHO c1cc(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)sn1 ZINC000930458124 1328860976 /nfs/dbraw/zinc/86/09/76/1328860976.db2.gz RPKVAZHETUMZJF-IBGZPJMESA-N 1 3 327.497 3.284 10 0 EGAEHO CCCC[N@H+](C[C@@H]1CCc2ncnn21)C1CC(C)(C)NC(C)(C)C1 ZINC000931032890 1329033980 /nfs/dbraw/zinc/03/39/80/1329033980.db2.gz BAZAGMKYOCHVCF-HNNXBMFYSA-N 1 3 333.524 3.177 10 0 EGAEHO CCCC[N@@H+](C[C@@H]1CCc2ncnn21)C1CC(C)(C)NC(C)(C)C1 ZINC000931032890 1329033984 /nfs/dbraw/zinc/03/39/84/1329033984.db2.gz BAZAGMKYOCHVCF-HNNXBMFYSA-N 1 3 333.524 3.177 10 0 EGAEHO FC(F)(F)c1ccc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923304185 1322729688 /nfs/dbraw/zinc/72/96/88/1322729688.db2.gz OOKFWPQYHUCFOI-MRXNPFEDSA-N 1 3 340.389 3.048 10 0 EGAEHO FC(F)C(F)(F)COCCN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506505 1322765738 /nfs/dbraw/zinc/76/57/38/1322765738.db2.gz JBMICRVCJAUULI-CYBMUJFWSA-N 1 3 340.405 3.005 10 0 EGAEHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674135 1323105897 /nfs/dbraw/zinc/10/58/97/1323105897.db2.gz YCWTUCKKNIZHMJ-QWHCGFSZSA-N 1 3 349.466 3.444 10 0 EGAEHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000924939754 1323221928 /nfs/dbraw/zinc/22/19/28/1323221928.db2.gz XGDBRLHUQXLERM-BAGYTPMASA-N 1 3 342.527 3.346 10 0 EGAEHO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925508564 1325183408 /nfs/dbraw/zinc/18/34/08/1325183408.db2.gz HDZGMIRXYAOSBE-AYOQOUSVSA-N 1 3 326.488 3.101 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925574575 1325217591 /nfs/dbraw/zinc/21/75/91/1325217591.db2.gz RVLYVDUHOSSVMV-DMSXTEQDSA-N 1 3 334.479 3.396 10 0 EGAEHO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925574575 1325217599 /nfs/dbraw/zinc/21/75/99/1325217599.db2.gz RVLYVDUHOSSVMV-DMSXTEQDSA-N 1 3 334.479 3.396 10 0 EGAEHO COc1cccc2[nH]cc(CC[NH2+][C@H]3CCNC[C@H]3C3CCCC3)c21 ZINC000925627174 1325237688 /nfs/dbraw/zinc/23/76/88/1325237688.db2.gz AAAUQKPWMWKZPH-ROUUACIJSA-N 1 3 341.499 3.477 10 0 EGAEHO C[C@](O)(CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639171 1325242674 /nfs/dbraw/zinc/24/26/74/1325242674.db2.gz KDGMJJUITSFPNC-FHWLQOOXSA-N 1 3 336.907 3.305 10 0 EGAEHO FC(F)(F)c1cccc(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925677050 1325259306 /nfs/dbraw/zinc/25/93/06/1325259306.db2.gz MZVOXQJQGVPOHD-HZPDHXFCSA-N 1 3 341.421 3.401 10 0 EGAEHO FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)n1 ZINC000925677050 1325259314 /nfs/dbraw/zinc/25/93/14/1325259314.db2.gz MZVOXQJQGVPOHD-HZPDHXFCSA-N 1 3 341.421 3.401 10 0 EGAEHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)CCS2 ZINC000925776277 1325295544 /nfs/dbraw/zinc/29/55/44/1325295544.db2.gz KRBGNMXBCWJXAW-SMDDNHRTSA-N 1 3 328.428 3.067 10 0 EGAEHO Cc1cccc(C[C@@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)c1 ZINC000925792262 1325301791 /nfs/dbraw/zinc/30/17/91/1325301791.db2.gz AIRQNNYDCJJVMV-WOJBJXKFSA-N 1 3 328.500 3.064 10 0 EGAEHO Cc1c([C@@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1ccc(Cl)cc1 ZINC000925797979 1325305521 /nfs/dbraw/zinc/30/55/21/1325305521.db2.gz JBHUDJSWASVGSB-UMVBOHGHSA-N 1 3 347.894 3.125 10 0 EGAEHO c1cc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804976 1325307186 /nfs/dbraw/zinc/30/71/86/1325307186.db2.gz OQLMGGLWARZZBP-NHCUHLMSSA-N 1 3 338.499 3.173 10 0 EGAEHO c1cc(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804976 1325307196 /nfs/dbraw/zinc/30/71/96/1325307196.db2.gz OQLMGGLWARZZBP-NHCUHLMSSA-N 1 3 338.499 3.173 10 0 EGAEHO C[C@H](NCCN1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000925808211 1325309494 /nfs/dbraw/zinc/30/94/94/1325309494.db2.gz BABCODHQZFKLPZ-JTQLQIEISA-N 1 3 334.266 3.206 10 0 EGAEHO C[C@@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nc2ccccc2n1C ZINC000925886758 1325343087 /nfs/dbraw/zinc/34/30/87/1325343087.db2.gz KUCRDNNHUQTFFL-CEQIKUNHSA-N 1 3 334.467 3.283 10 0 EGAEHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)N(C)C ZINC001324496897 1387650595 /nfs/dbraw/zinc/65/05/95/1387650595.db2.gz DNXBWOBMFJZQSC-OALUTQOASA-N 1 3 335.536 3.092 10 0 EGAEHO CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001326449212 1388193850 /nfs/dbraw/zinc/19/38/50/1388193850.db2.gz HYOIWJGGMOFODK-UHFFFAOYSA-N 1 3 343.515 3.185 10 0 EGAEHO CC(C)=CC[N@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001326449212 1388193859 /nfs/dbraw/zinc/19/38/59/1388193859.db2.gz HYOIWJGGMOFODK-UHFFFAOYSA-N 1 3 343.515 3.185 10 0 EGAEHO CC[C@H](C)C[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001326675708 1388279622 /nfs/dbraw/zinc/27/96/22/1388279622.db2.gz RFPZPPAQSYFDCV-JXFKEZNVSA-N 1 3 345.531 3.047 10 0 EGAEHO CC[C@H](C)C[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001326675708 1388279626 /nfs/dbraw/zinc/27/96/26/1388279626.db2.gz RFPZPPAQSYFDCV-JXFKEZNVSA-N 1 3 345.531 3.047 10 0 EGAEHO CCCCC[N@@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001327149064 1388406059 /nfs/dbraw/zinc/40/60/59/1388406059.db2.gz XGVOSUQWPCRSED-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CCCCC[N@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001327149064 1388406062 /nfs/dbraw/zinc/40/60/62/1388406062.db2.gz XGVOSUQWPCRSED-KRWDZBQOSA-N 1 3 325.541 3.125 10 0 EGAEHO CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146146 1388404274 /nfs/dbraw/zinc/40/42/74/1388404274.db2.gz IPXGPZMYTNUCSJ-WARJXXDVSA-N 1 3 337.552 3.290 10 0 EGAEHO CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001327146146 1388404278 /nfs/dbraw/zinc/40/42/78/1388404278.db2.gz IPXGPZMYTNUCSJ-WARJXXDVSA-N 1 3 337.552 3.290 10 0 EGAEHO CCCN(C)CC(=O)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001265743163 1377165461 /nfs/dbraw/zinc/16/54/61/1377165461.db2.gz DTDLEIJGILDAPW-UHFFFAOYSA-N 1 3 349.563 3.316 10 0 EGAEHO C[C@@H](c1ccccc1F)N1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546300 1377330211 /nfs/dbraw/zinc/33/02/11/1377330211.db2.gz SUAIRLJCKWXKGH-DLBZAZTESA-N 1 3 349.494 3.057 10 0 EGAEHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394982 1377386969 /nfs/dbraw/zinc/38/69/69/1377386969.db2.gz XKNZDHMYRBXBHU-JKSUJKDBSA-N 1 3 342.487 3.141 10 0 EGAEHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001136394982 1377386974 /nfs/dbraw/zinc/38/69/74/1377386974.db2.gz XKNZDHMYRBXBHU-JKSUJKDBSA-N 1 3 342.487 3.141 10 0 EGAEHO CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001327455639 1388523775 /nfs/dbraw/zinc/52/37/75/1388523775.db2.gz PTKGFMLEJXOLRV-FPLPWBNLSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001282741927 1378592653 /nfs/dbraw/zinc/59/26/53/1378592653.db2.gz VSXNPLCMWQRXQA-QZTJIDSGSA-N 1 3 349.563 3.268 10 0 EGAEHO CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001282741442 1378592855 /nfs/dbraw/zinc/59/28/55/1378592855.db2.gz SKIFCKOMHVXFFW-QZTJIDSGSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813362 1378624153 /nfs/dbraw/zinc/62/41/53/1378624153.db2.gz WIISGDZNVCAVPU-YMHTTXFNSA-N 1 3 349.563 3.290 10 0 EGAEHO CC/C=C\CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC001282813362 1378624154 /nfs/dbraw/zinc/62/41/54/1378624154.db2.gz WIISGDZNVCAVPU-YMHTTXFNSA-N 1 3 349.563 3.290 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248734 1378771008 /nfs/dbraw/zinc/77/10/08/1378771008.db2.gz OLZMKPVOHIFLNT-PKOBYXMFSA-N 1 3 337.552 3.314 10 0 EGAEHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CCCC(C)(C)C)C2CC2)CCC1 ZINC001283511799 1378995317 /nfs/dbraw/zinc/99/53/17/1378995317.db2.gz XEEDPHRIBLUWII-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250381 1379633572 /nfs/dbraw/zinc/63/35/72/1379633572.db2.gz ZUTIVFOGZCWTNM-XLIONFOSSA-N 1 3 343.515 3.036 10 0 EGAEHO CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001284529259 1379933286 /nfs/dbraw/zinc/93/32/86/1379933286.db2.gz FTFWDWLRCLRAAW-MJGOQNOKSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001284529259 1379933289 /nfs/dbraw/zinc/93/32/89/1379933289.db2.gz FTFWDWLRCLRAAW-MJGOQNOKSA-N 1 3 331.504 3.011 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001284653591 1380069232 /nfs/dbraw/zinc/06/92/32/1380069232.db2.gz SSOOYSUUEGGKKK-MOPGFXCFSA-N 1 3 345.531 3.135 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001328112210 1388676440 /nfs/dbraw/zinc/67/64/40/1388676440.db2.gz CGTUMWJRJWITQJ-IEBWSBKVSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)CC1(C)C ZINC001328112210 1388676441 /nfs/dbraw/zinc/67/64/41/1388676441.db2.gz CGTUMWJRJWITQJ-IEBWSBKVSA-N 1 3 345.531 3.305 10 0 EGAEHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC001307633805 1384006303 /nfs/dbraw/zinc/00/63/03/1384006303.db2.gz MOSVIMVTRUSIHX-GOSISDBHSA-N 1 3 329.532 3.242 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600915 1384467264 /nfs/dbraw/zinc/46/72/64/1384467264.db2.gz CVUPBIMZCDQGOE-MSOLQXFVSA-N 1 3 337.552 3.220 10 0 EGAEHO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C)N1CCCCCC1 ZINC001316600915 1384467269 /nfs/dbraw/zinc/46/72/69/1384467269.db2.gz CVUPBIMZCDQGOE-MSOLQXFVSA-N 1 3 337.552 3.220 10 0 EGAEHO CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001316662243 1384510425 /nfs/dbraw/zinc/51/04/25/1384510425.db2.gz GCCTZKMIICIVPS-CEXWTWQISA-N 1 3 337.552 3.316 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030568 1384797779 /nfs/dbraw/zinc/79/77/79/1384797779.db2.gz UZNUNIBGPQHNLF-FXAWDEMLSA-N 1 3 349.563 3.173 10 0 EGAEHO CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317088029 1384850022 /nfs/dbraw/zinc/85/00/22/1384850022.db2.gz OXQUBAWYDDIWQI-GPMSIDNRSA-N 1 3 341.515 3.016 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)N(C)C ZINC001317097477 1384859099 /nfs/dbraw/zinc/85/90/99/1384859099.db2.gz ANTJAGDTWGZDHQ-RAFMOHDBSA-N 1 3 349.563 3.409 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1)N(C)C ZINC001317097477 1384859100 /nfs/dbraw/zinc/85/91/00/1384859100.db2.gz ANTJAGDTWGZDHQ-RAFMOHDBSA-N 1 3 349.563 3.409 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317140681 1384908133 /nfs/dbraw/zinc/90/81/33/1384908133.db2.gz RSQLGBTUZNARDS-BGEOSOQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001317140681 1384908134 /nfs/dbraw/zinc/90/81/34/1384908134.db2.gz RSQLGBTUZNARDS-BGEOSOQGSA-N 1 3 349.563 3.434 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317141782 1384910239 /nfs/dbraw/zinc/91/02/39/1384910239.db2.gz VTOFJWFXESVYFL-PMACEKPBSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317141782 1384910242 /nfs/dbraw/zinc/91/02/42/1384910242.db2.gz VTOFJWFXESVYFL-PMACEKPBSA-N 1 3 349.563 3.291 10 0 EGAEHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCCC1CCCC1 ZINC001317270669 1385041129 /nfs/dbraw/zinc/04/11/29/1385041129.db2.gz JQWVSKPUNNOVSY-ROUUACIJSA-N 1 3 337.552 3.316 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534669 1385264978 /nfs/dbraw/zinc/26/49/78/1385264978.db2.gz DBUWGQAJBNTPAK-MOPGFXCFSA-N 1 3 345.531 3.143 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@@H](CNC(=O)CN(C)C(C)C)C2)c1 ZINC001317534669 1385264981 /nfs/dbraw/zinc/26/49/81/1385264981.db2.gz DBUWGQAJBNTPAK-MOPGFXCFSA-N 1 3 345.531 3.143 10 0 EGAEHO C[C@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001317684887 1385395459 /nfs/dbraw/zinc/39/54/59/1385395459.db2.gz IEBHQCDDPIIIOP-INIZCTEOSA-N 1 3 346.519 3.139 10 0 EGAEHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317802717 1385497939 /nfs/dbraw/zinc/49/79/39/1385497939.db2.gz YONOQZKCGYIUGI-WOJBJXKFSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001317802717 1385497944 /nfs/dbraw/zinc/49/79/44/1385497944.db2.gz YONOQZKCGYIUGI-WOJBJXKFSA-N 1 3 349.563 3.291 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317955056 1385585492 /nfs/dbraw/zinc/58/54/92/1385585492.db2.gz CNTNPZGRBZMZLF-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1)N1CCCC1 ZINC001317955056 1385585494 /nfs/dbraw/zinc/58/54/94/1385585494.db2.gz CNTNPZGRBZMZLF-MSOLQXFVSA-N 1 3 337.552 3.124 10 0 EGAEHO CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001318938062 1385888438 /nfs/dbraw/zinc/88/84/38/1385888438.db2.gz RRXNDUJKJNSBRB-XJDXJNMNSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001318975582 1385904628 /nfs/dbraw/zinc/90/46/28/1385904628.db2.gz JDLSRXVMWDEMMR-FHWLQOOXSA-N 1 3 335.536 3.234 10 0 EGAEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250299 1386025035 /nfs/dbraw/zinc/02/50/35/1386025035.db2.gz KREQZIDWYLUHRW-SJLPKXTDSA-N 1 3 337.552 3.027 10 0 EGAEHO CCCCC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001698633537 1406277311 /nfs/dbraw/zinc/27/73/11/1406277311.db2.gz MDADAZGLIQMLRY-SFHVURJKSA-N 1 3 337.552 3.460 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CC[N@H+](C)CCC(C)(C)C)c1 ZINC001320084836 1386501437 /nfs/dbraw/zinc/50/14/37/1386501437.db2.gz LNCZVNCZXBCJOY-UHFFFAOYSA-N 1 3 333.520 3.188 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C)c1 ZINC001320084836 1386501441 /nfs/dbraw/zinc/50/14/41/1386501441.db2.gz LNCZVNCZXBCJOY-UHFFFAOYSA-N 1 3 333.520 3.188 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001321663594 1386953396 /nfs/dbraw/zinc/95/33/96/1386953396.db2.gz RYQPRRQFIFHABV-MJGOQNOKSA-N 1 3 337.552 3.314 10 0 EGAEHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001698683074 1406330802 /nfs/dbraw/zinc/33/08/02/1406330802.db2.gz OQLZUTVPVKAXLK-UXHICEINSA-N 1 3 349.563 3.435 10 0 EGAEHO CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001322244477 1387118016 /nfs/dbraw/zinc/11/80/16/1387118016.db2.gz NKVVSUBBSNDJEI-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC001322244477 1387118019 /nfs/dbraw/zinc/11/80/19/1387118019.db2.gz NKVVSUBBSNDJEI-ZWKOTPCHSA-N 1 3 345.531 3.088 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001329593046 1389172724 /nfs/dbraw/zinc/17/27/24/1389172724.db2.gz XLRGCGSHSYJLCX-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001329593046 1389172726 /nfs/dbraw/zinc/17/27/26/1389172726.db2.gz XLRGCGSHSYJLCX-OXJNMPFZSA-N 1 3 341.499 3.117 10 0 EGAEHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCCC1 ZINC001329819500 1389230944 /nfs/dbraw/zinc/23/09/44/1389230944.db2.gz YOPYWRUNJBHPFU-SJORKVTESA-N 1 3 341.515 3.016 10 0 EGAEHO CCCCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001329996449 1389281467 /nfs/dbraw/zinc/28/14/67/1389281467.db2.gz CVZACNZETGYRGI-QGZVFWFLSA-N 1 3 337.552 3.268 10 0 EGAEHO CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001698737030 1406388877 /nfs/dbraw/zinc/38/88/77/1406388877.db2.gz ADCUFHCSPDNEKI-IBGZPJMESA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001698737030 1406388883 /nfs/dbraw/zinc/38/88/83/1406388883.db2.gz ADCUFHCSPDNEKI-IBGZPJMESA-N 1 3 349.563 3.366 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001332050515 1389958902 /nfs/dbraw/zinc/95/89/02/1389958902.db2.gz PUXNYUOIXNUJLT-OALUTQOASA-N 1 3 345.531 3.033 10 0 EGAEHO CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001698762451 1406416833 /nfs/dbraw/zinc/41/68/33/1406416833.db2.gz UPJCSOYFUPIPKR-IEBWSBKVSA-N 1 3 345.531 3.354 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)N(C)C ZINC001480182326 1392614147 /nfs/dbraw/zinc/61/41/47/1392614147.db2.gz ORHQDFNCKUUKTP-XVLXNVKGSA-N 1 3 335.536 3.019 10 0 EGAEHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)N(C)C ZINC001480182326 1392614148 /nfs/dbraw/zinc/61/41/48/1392614148.db2.gz ORHQDFNCKUUKTP-XVLXNVKGSA-N 1 3 335.536 3.019 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266165 1392650705 /nfs/dbraw/zinc/65/07/05/1392650705.db2.gz QEQCAVRLZDYRRT-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001480266165 1392650706 /nfs/dbraw/zinc/65/07/06/1392650706.db2.gz QEQCAVRLZDYRRT-AZUAARDMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001480350115 1392699809 /nfs/dbraw/zinc/69/98/09/1392699809.db2.gz PQKPUQGGVNJFRG-IPLHWJFFSA-N 1 3 335.536 3.188 10 0 EGAEHO CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481112502 1393122892 /nfs/dbraw/zinc/12/28/92/1393122892.db2.gz KEHDVFTWJRRECL-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO CC(C)CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001481112502 1393122893 /nfs/dbraw/zinc/12/28/93/1393122893.db2.gz KEHDVFTWJRRECL-OALUTQOASA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001481338951 1393167143 /nfs/dbraw/zinc/16/71/43/1393167143.db2.gz FMOOCXBCUUEICJ-MRXNPFEDSA-N 1 3 344.503 3.059 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001698900603 1406633136 /nfs/dbraw/zinc/63/31/36/1406633136.db2.gz JEWGMONYCHAMIC-IEBWSBKVSA-N 1 3 335.536 3.044 10 0 EGAEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001481367603 1394206761 /nfs/dbraw/zinc/20/67/61/1394206761.db2.gz WPRJHIINZNIUBY-PMACEKPBSA-N 1 3 343.515 3.274 10 0 EGAEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](NCC=C(C)C)c1ccccc1 ZINC001481367603 1394206769 /nfs/dbraw/zinc/20/67/69/1394206769.db2.gz WPRJHIINZNIUBY-PMACEKPBSA-N 1 3 343.515 3.274 10 0 EGAEHO CC1CCC(C[NH2+][C@H](CNC(=O)C(C)(C)N2CCCC2)C2CC2)CC1 ZINC001490694300 1394297765 /nfs/dbraw/zinc/29/77/65/1394297765.db2.gz OWFUBUHXIAULPD-FAFZWHIHSA-N 1 3 349.563 3.172 10 0 EGAEHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001491370833 1394514209 /nfs/dbraw/zinc/51/42/09/1394514209.db2.gz CDRFHPOLSBJXDS-OFLPRAFFSA-N 1 3 325.541 3.026 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001481838427 1394553236 /nfs/dbraw/zinc/55/32/36/1394553236.db2.gz BVDRUBQJVWENKH-ROUUACIJSA-N 1 3 345.531 3.415 10 0 EGAEHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001482108593 1394750747 /nfs/dbraw/zinc/75/07/47/1394750747.db2.gz TZTOLISFQLPNSC-WMZOPIPTSA-N 1 3 345.531 3.191 10 0 EGAEHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001482457911 1395016415 /nfs/dbraw/zinc/01/64/15/1395016415.db2.gz YUWYRLGXLOYIFI-IBGZPJMESA-N 1 3 344.503 3.204 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082154 1395651430 /nfs/dbraw/zinc/65/14/30/1395651430.db2.gz MLXGTZPQNHOEIZ-ZBWOGFRMSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001485082154 1395651432 /nfs/dbraw/zinc/65/14/32/1395651432.db2.gz MLXGTZPQNHOEIZ-ZBWOGFRMSA-N 1 3 349.563 3.245 10 0 EGAEHO CCC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001485767383 1396144142 /nfs/dbraw/zinc/14/41/42/1396144142.db2.gz YISSUICBSCVKJE-ZBTAVZRMSA-N 1 3 337.552 3.242 10 0 EGAEHO CCC/C=C\CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001485767383 1396144147 /nfs/dbraw/zinc/14/41/47/1396144147.db2.gz YISSUICBSCVKJE-ZBTAVZRMSA-N 1 3 337.552 3.242 10 0 EGAEHO CC(C)(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001486208228 1396182316 /nfs/dbraw/zinc/18/23/16/1396182316.db2.gz OPTXMQXILRATQH-DLBZAZTESA-N 1 3 337.552 3.172 10 0 EGAEHO CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001503023690 1396241659 /nfs/dbraw/zinc/24/16/59/1396241659.db2.gz PIXBXELZHWLRJS-XLIONFOSSA-N 1 3 345.531 3.058 10 0 EGAEHO CCc1ccc(C[N@H+]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001503023690 1396241665 /nfs/dbraw/zinc/24/16/65/1396241665.db2.gz PIXBXELZHWLRJS-XLIONFOSSA-N 1 3 345.531 3.058 10 0 EGAEHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001495917776 1396571917 /nfs/dbraw/zinc/57/19/17/1396571917.db2.gz GBYNCGWRUYUPMM-KRWDZBQOSA-N 1 3 337.552 3.316 10 0 EGAEHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1=CCCCC1)N(C)C ZINC001496407489 1396694231 /nfs/dbraw/zinc/69/42/31/1396694231.db2.gz VHONSQNLKJXIGX-RBUKOAKNSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001496491642 1396709403 /nfs/dbraw/zinc/70/94/03/1396709403.db2.gz NVZDBYRQNDWUGR-PXNSSMCTSA-N 1 3 345.531 3.379 10 0 EGAEHO CC/C=C\CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497268866 1396740946 /nfs/dbraw/zinc/74/09/46/1396740946.db2.gz QJRYEPALOVGXEE-CBVOVTJASA-N 1 3 341.515 3.040 10 0 EGAEHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168341 1404367157 /nfs/dbraw/zinc/36/71/57/1404367157.db2.gz COUCKZYQGDIRDI-QFBILLFUSA-N 1 3 349.563 3.029 10 0 EGAEHO CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001690480257 1404599752 /nfs/dbraw/zinc/59/97/52/1404599752.db2.gz IONVFWAEKQHGOB-RBUKOAKNSA-N 1 3 337.552 3.266 10 0 EGAEHO Cc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505407 1404618406 /nfs/dbraw/zinc/61/84/06/1404618406.db2.gz SACNHAJFBVKTIR-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001690505407 1404618408 /nfs/dbraw/zinc/61/84/08/1404618408.db2.gz SACNHAJFBVKTIR-UYAOXDASSA-N 1 3 345.531 3.052 10 0 EGAEHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCCC1CCCC1 ZINC001690575706 1404637763 /nfs/dbraw/zinc/63/77/63/1404637763.db2.gz YOOOYKJMBRGRFZ-QGZVFWFLSA-N 1 3 337.552 3.316 10 0 EGAEHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001690778327 1404727702 /nfs/dbraw/zinc/72/77/02/1404727702.db2.gz XYYCORHULHDURZ-QZTJIDSGSA-N 1 3 337.552 3.314 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001690881208 1404794370 /nfs/dbraw/zinc/79/43/70/1404794370.db2.gz MRDWJSPWNROLAY-UYAOXDASSA-N 1 3 345.531 3.162 10 0 EGAEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+]CC1CCC(C)(C)CC1 ZINC001725412992 1426057727 /nfs/dbraw/zinc/05/77/27/1426057727.db2.gz MJPLMFVGAZKRRP-OAHLLOKOSA-N 1 3 348.535 3.352 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691075276 1405008357 /nfs/dbraw/zinc/00/83/57/1405008357.db2.gz QWBWFFUSWZJGBU-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691075276 1405008365 /nfs/dbraw/zinc/00/83/65/1405008365.db2.gz QWBWFFUSWZJGBU-LJQANCHMSA-N 1 3 331.504 3.085 10 0 EGAEHO CCCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001691628876 1405366806 /nfs/dbraw/zinc/36/68/06/1405366806.db2.gz DQBXXONPIYRAFV-QGZVFWFLSA-N 1 3 325.541 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001691636359 1405372106 /nfs/dbraw/zinc/37/21/06/1405372106.db2.gz FEVGFPHINGNVDS-LJQANCHMSA-N 1 3 349.563 3.269 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691691538 1405425788 /nfs/dbraw/zinc/42/57/88/1405425788.db2.gz AZYWCVNAOXNNQM-OOFWQKGWSA-N 1 3 335.536 3.045 10 0 EGAEHO CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001691691540 1405425937 /nfs/dbraw/zinc/42/59/37/1405425937.db2.gz AZYWCVNAOXNNQM-XFHJGTJQSA-N 1 3 335.536 3.045 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCC2CC2)C1 ZINC001691895817 1405619012 /nfs/dbraw/zinc/61/90/12/1405619012.db2.gz ZKDFLEMHAUNICY-QWFCFKBJSA-N 1 3 349.563 3.125 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001692082700 1405765268 /nfs/dbraw/zinc/76/52/68/1405765268.db2.gz GPSAYCCYFHCVNV-UXHICEINSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001692082700 1405765274 /nfs/dbraw/zinc/76/52/74/1405765274.db2.gz GPSAYCCYFHCVNV-UXHICEINSA-N 1 3 349.563 3.079 10 0 EGAEHO CCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001692118316 1405780841 /nfs/dbraw/zinc/78/08/41/1405780841.db2.gz MAOBYWMUHRBVMC-GOSISDBHSA-N 1 3 337.552 3.412 10 0 EGAEHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC(CC)CC)C1 ZINC001692132560 1405789985 /nfs/dbraw/zinc/78/99/85/1405789985.db2.gz ZQVVANIRGBGLBY-SFHVURJKSA-N 1 3 325.541 3.125 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570419 1406174650 /nfs/dbraw/zinc/17/46/50/1406174650.db2.gz UKCRBMISUQDIGD-ROUUACIJSA-N 1 3 339.568 3.466 10 0 EGAEHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(CC)CC ZINC001698570419 1406174655 /nfs/dbraw/zinc/17/46/55/1406174655.db2.gz UKCRBMISUQDIGD-ROUUACIJSA-N 1 3 339.568 3.466 10 0 EGAEHO CC(C)[NH2+][C@@H](CNC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC001732022672 1428240534 /nfs/dbraw/zinc/24/05/34/1428240534.db2.gz BNLBYWYMGOQGDC-HKUYNNGSSA-N 1 3 331.504 3.106 10 0 EGAEHO CN(C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001732272102 1428508490 /nfs/dbraw/zinc/50/84/90/1428508490.db2.gz NJJXJVXYEYJFCK-KRWDZBQOSA-N 1 3 349.563 3.125 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001732289470 1428515922 /nfs/dbraw/zinc/51/59/22/1428515922.db2.gz WOJFCBMVJWGOHK-LJQANCHMSA-N 1 3 337.552 3.125 10 0 EGAEHO CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001732331995 1428538176 /nfs/dbraw/zinc/53/81/76/1428538176.db2.gz WPEAHWMYVVZTGE-UHFFFAOYSA-N 1 3 337.552 3.223 10 0 EGAEHO CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001732331995 1428538178 /nfs/dbraw/zinc/53/81/78/1428538178.db2.gz WPEAHWMYVVZTGE-UHFFFAOYSA-N 1 3 337.552 3.223 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001699432720 1412750917 /nfs/dbraw/zinc/75/09/17/1412750917.db2.gz DGWTXNNGCRKFSW-HKUYNNGSSA-N 1 3 337.552 3.316 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001699433632 1412752735 /nfs/dbraw/zinc/75/27/35/1412752735.db2.gz WHCZDPKLSHHLMJ-ICSRJNTNSA-N 1 3 345.531 3.081 10 0 EGAEHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575701 1412932343 /nfs/dbraw/zinc/93/23/43/1412932343.db2.gz IBRVURQKJYTRNW-WOJBJXKFSA-N 1 3 349.563 3.314 10 0 EGAEHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001699693295 1413100067 /nfs/dbraw/zinc/10/00/67/1413100067.db2.gz VLHMMRPUTQCZIR-BGYRXZFFSA-N 1 3 349.563 3.364 10 0 EGAEHO CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001699750311 1413158540 /nfs/dbraw/zinc/15/85/40/1413158540.db2.gz IDKZIDIWYZCXGS-XFHJGTJQSA-N 1 3 335.536 3.188 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2=CCCCC2)C1)N(C)C ZINC001699875700 1413330782 /nfs/dbraw/zinc/33/07/82/1413330782.db2.gz XDKAXRYWGGVOMO-AZUAARDMSA-N 1 3 335.536 3.045 10 0 EGAEHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2=CCCCC2)C1)N(C)C ZINC001699875700 1413330786 /nfs/dbraw/zinc/33/07/86/1413330786.db2.gz XDKAXRYWGGVOMO-AZUAARDMSA-N 1 3 335.536 3.045 10 0 EGAEHO Cc1cccc(C[N@H+]2CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001699879381 1413343462 /nfs/dbraw/zinc/34/34/62/1413343462.db2.gz NKNKAPGMJHMMPI-NRFANRHFSA-N 1 3 345.531 3.054 10 0 EGAEHO Cc1cccc(C[N@@H+]2CCC[C@@](C)(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001699879381 1413343466 /nfs/dbraw/zinc/34/34/66/1413343466.db2.gz NKNKAPGMJHMMPI-NRFANRHFSA-N 1 3 345.531 3.054 10 0 EGAEHO CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001700100626 1413518385 /nfs/dbraw/zinc/51/83/85/1413518385.db2.gz WRDBNIJAYWBVRE-MSOLQXFVSA-N 1 3 343.515 3.261 10 0 EGAEHO CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181161 1413594941 /nfs/dbraw/zinc/59/49/41/1413594941.db2.gz PUHPCYAYZCXGDK-LKGOPFMKSA-N 1 3 337.552 3.291 10 0 EGAEHO CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001700181161 1413594943 /nfs/dbraw/zinc/59/49/43/1413594943.db2.gz PUHPCYAYZCXGDK-LKGOPFMKSA-N 1 3 337.552 3.291 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001700324072 1413793032 /nfs/dbraw/zinc/79/30/32/1413793032.db2.gz RMRLHQBZUJBXIW-QQXWZLKESA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001700324072 1413793036 /nfs/dbraw/zinc/79/30/36/1413793036.db2.gz RMRLHQBZUJBXIW-QQXWZLKESA-N 1 3 343.515 3.009 10 0 EGAEHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N2CCCC2)c(C)c1 ZINC001700411186 1413953386 /nfs/dbraw/zinc/95/33/86/1413953386.db2.gz DIGCKXCYXFNDDQ-ROUUACIJSA-N 1 3 345.531 3.161 10 0 EGAEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001700461654 1414061225 /nfs/dbraw/zinc/06/12/25/1414061225.db2.gz AJABRHZILJSWKV-OFCQAKPVSA-N 1 3 343.515 3.009 10 0 EGAEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C/C=C\c1ccccc1 ZINC001700461654 1414061232 /nfs/dbraw/zinc/06/12/32/1414061232.db2.gz AJABRHZILJSWKV-OFCQAKPVSA-N 1 3 343.515 3.009 10 0 EGAEHO CCCN(C)CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700521002 1414176139 /nfs/dbraw/zinc/17/61/39/1414176139.db2.gz KCLNMARELQDQMS-UHFFFAOYSA-N 1 3 337.552 3.317 10 0 EGAEHO Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001700677301 1414332722 /nfs/dbraw/zinc/33/27/22/1414332722.db2.gz CSUBKPLAKHPPNU-GOSISDBHSA-N 1 3 345.531 3.162 10 0 EGAEHO C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C(C)(C)N1CCCCC1 ZINC001732953791 1429078339 /nfs/dbraw/zinc/07/83/39/1429078339.db2.gz JFPDJZWXRMUION-LXPRWKDFSA-N 1 3 337.552 3.172 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001712985819 1417537634 /nfs/dbraw/zinc/53/76/34/1417537634.db2.gz JYSVJUXHHNCYAX-KRWDZBQOSA-N 1 3 342.487 3.077 10 0 EGAEHO Cc1[nH]cnc1CC(=O)NCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001712985819 1417537640 /nfs/dbraw/zinc/53/76/40/1417537640.db2.gz JYSVJUXHHNCYAX-KRWDZBQOSA-N 1 3 342.487 3.077 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001712990937 1417542604 /nfs/dbraw/zinc/54/26/04/1417542604.db2.gz KCAULSNWDXLGPU-MJGOQNOKSA-N 1 3 331.504 3.060 10 0 EGAEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001712990937 1417542605 /nfs/dbraw/zinc/54/26/05/1417542605.db2.gz KCAULSNWDXLGPU-MJGOQNOKSA-N 1 3 331.504 3.060 10 0 EGAEHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1ccccc1F ZINC001713013334 1417566351 /nfs/dbraw/zinc/56/63/51/1417566351.db2.gz TUQYQWHULUSJQQ-SOLBZPMBSA-N 1 3 349.494 3.055 10 0 EGAEHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)c1ccccc1F ZINC001713013334 1417566352 /nfs/dbraw/zinc/56/63/52/1417566352.db2.gz TUQYQWHULUSJQQ-SOLBZPMBSA-N 1 3 349.494 3.055 10 0 EGAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713244761 1417830859 /nfs/dbraw/zinc/83/08/59/1417830859.db2.gz WATBSGWQADPVAR-IBGZPJMESA-N 1 3 335.536 3.047 10 0 EGAEHO CCCN(CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccc(F)c1 ZINC001713551860 1418335897 /nfs/dbraw/zinc/33/58/97/1418335897.db2.gz CIOVHRJIHBXXES-IRXDYDNUSA-N 1 3 349.494 3.027 10 0 EGAEHO CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001713702861 1418461588 /nfs/dbraw/zinc/46/15/88/1418461588.db2.gz QBIVAZVFDINPTB-MOPGFXCFSA-N 1 3 331.504 3.106 10 0 EGAEHO CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713896854 1418695234 /nfs/dbraw/zinc/69/52/34/1418695234.db2.gz LEARCDVUBYTRBV-PMACEKPBSA-N 1 3 349.563 3.386 10 0 EGAEHO CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001713896854 1418695239 /nfs/dbraw/zinc/69/52/39/1418695239.db2.gz LEARCDVUBYTRBV-PMACEKPBSA-N 1 3 349.563 3.386 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001713973369 1418753096 /nfs/dbraw/zinc/75/30/96/1418753096.db2.gz HTNWSXAYWQHODO-GGPKGHCWSA-N 1 3 345.531 3.141 10 0 EGAEHO Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001713973369 1418753097 /nfs/dbraw/zinc/75/30/97/1418753097.db2.gz HTNWSXAYWQHODO-GGPKGHCWSA-N 1 3 345.531 3.141 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975221 1418755079 /nfs/dbraw/zinc/75/50/79/1418755079.db2.gz JSBUGHOHJQWOEI-CDDIUSEKSA-N 1 3 347.547 3.140 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001713975221 1418755084 /nfs/dbraw/zinc/75/50/84/1418755084.db2.gz JSBUGHOHJQWOEI-CDDIUSEKSA-N 1 3 347.547 3.140 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714019080 1418799515 /nfs/dbraw/zinc/79/95/15/1418799515.db2.gz QMUUKZUUNPAALG-DSQZMVHQSA-N 1 3 335.536 3.140 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001714019080 1418799517 /nfs/dbraw/zinc/79/95/17/1418799517.db2.gz QMUUKZUUNPAALG-DSQZMVHQSA-N 1 3 335.536 3.140 10 0 EGAEHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001714106808 1418906341 /nfs/dbraw/zinc/90/63/41/1418906341.db2.gz MBRUHFZTEYLPMM-OALUTQOASA-N 1 3 349.494 3.073 10 0 EGAEHO CC[C@@H](C)C[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001714199821 1419004577 /nfs/dbraw/zinc/00/45/77/1419004577.db2.gz HSCOXKSZWGRDGU-PBPGXSGUSA-N 1 3 345.531 3.425 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411061 1419150152 /nfs/dbraw/zinc/15/01/52/1419150152.db2.gz JHMGCRVWCDPERU-SJORKVTESA-N 1 3 325.541 3.172 10 0 EGAEHO CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001714418030 1419155205 /nfs/dbraw/zinc/15/52/05/1419155205.db2.gz UHERHLGXCXGFHQ-OALUTQOASA-N 1 3 331.504 3.179 10 0 EGAEHO CCN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1cccc(F)c1 ZINC001714585633 1419327074 /nfs/dbraw/zinc/32/70/74/1419327074.db2.gz YYRPBRLXRGXOJC-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(F)c1 ZINC001714585633 1419327075 /nfs/dbraw/zinc/32/70/75/1419327075.db2.gz YYRPBRLXRGXOJC-QFBILLFUSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1cccc(F)c1 ZINC001714585634 1419327435 /nfs/dbraw/zinc/32/74/35/1419327435.db2.gz YYRPBRLXRGXOJC-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO CCN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@H](C)c1cccc(F)c1 ZINC001714585634 1419327438 /nfs/dbraw/zinc/32/74/38/1419327438.db2.gz YYRPBRLXRGXOJC-VQIMIIECSA-N 1 3 349.494 3.199 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1)N1CCCC1 ZINC001714613844 1419374819 /nfs/dbraw/zinc/37/48/19/1419374819.db2.gz RBWZLRXMORHYQB-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCCC1)N1CCCC1 ZINC001714613844 1419374821 /nfs/dbraw/zinc/37/48/21/1419374821.db2.gz RBWZLRXMORHYQB-IBGZPJMESA-N 1 3 349.563 3.412 10 0 EGAEHO C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714751724 1419494236 /nfs/dbraw/zinc/49/42/36/1419494236.db2.gz PRGHDFCDSPJYGG-KRWDZBQOSA-N 1 3 339.568 3.371 10 0 EGAEHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001714782787 1419506497 /nfs/dbraw/zinc/50/64/97/1419506497.db2.gz ARFMWIPPPXNPME-UHFFFAOYSA-N 1 3 341.499 3.038 10 0 EGAEHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001715072268 1419807232 /nfs/dbraw/zinc/80/72/32/1419807232.db2.gz UNTMHXRSFBWFIE-YJBOKZPZSA-N 1 3 349.494 3.246 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC001715129575 1419878697 /nfs/dbraw/zinc/87/86/97/1419878697.db2.gz ZPKIYEUKDKGRFQ-MGPUTAFESA-N 1 3 349.494 3.101 10 0 EGAEHO CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1)N1CCCCC1 ZINC001715209086 1419942597 /nfs/dbraw/zinc/94/25/97/1419942597.db2.gz YRRUGBSUEZICCZ-LJQANCHMSA-N 1 3 349.563 3.412 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001715307145 1420015782 /nfs/dbraw/zinc/01/57/82/1420015782.db2.gz KHTIKMLSXAHYRI-IBGZPJMESA-N 1 3 349.563 3.458 10 0 EGAEHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCCC1CCCC1 ZINC001715401363 1420100133 /nfs/dbraw/zinc/10/01/33/1420100133.db2.gz MWCIOZPJZDNVFW-APWZRJJASA-N 1 3 346.519 3.139 10 0 EGAEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)c1cccc(F)c1 ZINC001715828641 1420359029 /nfs/dbraw/zinc/35/90/29/1420359029.db2.gz XSGWHQVRKFBCTC-CHYGHELMSA-N 1 3 347.478 3.023 10 0 EGAEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)c1cccc(F)c1 ZINC001715828641 1420359033 /nfs/dbraw/zinc/35/90/33/1420359033.db2.gz XSGWHQVRKFBCTC-CHYGHELMSA-N 1 3 347.478 3.023 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829336 1420359808 /nfs/dbraw/zinc/35/98/08/1420359808.db2.gz SQFBPRAYYLZKKQ-PDNKVIRKSA-N 1 3 347.478 3.023 10 0 EGAEHO C[C@H](NC/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC001715829336 1420359813 /nfs/dbraw/zinc/35/98/13/1420359813.db2.gz SQFBPRAYYLZKKQ-PDNKVIRKSA-N 1 3 347.478 3.023 10 0 EGAEHO CC[C@@H]([NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001715884661 1420382597 /nfs/dbraw/zinc/38/25/97/1420382597.db2.gz INKNKHXSNHYAPS-AQKVLALTSA-N 1 3 343.515 3.132 10 0 EGAEHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001716051760 1420515587 /nfs/dbraw/zinc/51/55/87/1420515587.db2.gz RGHNHDFGAVNMRP-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001716051760 1420515589 /nfs/dbraw/zinc/51/55/89/1420515589.db2.gz RGHNHDFGAVNMRP-MSOLQXFVSA-N 1 3 337.552 3.077 10 0 EGAEHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC2CC2)c1 ZINC001716076112 1420530346 /nfs/dbraw/zinc/53/03/46/1420530346.db2.gz WGACRUICWIMSQT-PMACEKPBSA-N 1 3 343.515 3.036 10 0 EGAEHO CC(C)N1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001716351537 1420614807 /nfs/dbraw/zinc/61/48/07/1420614807.db2.gz ZANPCTCTJLPISY-RURPWVQCSA-N 1 3 335.536 3.092 10 0 EGAEHO CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001733272061 1429434686 /nfs/dbraw/zinc/43/46/86/1429434686.db2.gz GCKNPFNRFQHLBH-VFMMZKEQSA-N 1 3 347.547 3.186 10 0 EGAEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001716653945 1420807707 /nfs/dbraw/zinc/80/77/07/1420807707.db2.gz SBNUXMUMOWQGMO-MOPGFXCFSA-N 1 3 335.536 3.022 10 0 EGAEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCN1CCC1CCCCC1 ZINC001716653945 1420807710 /nfs/dbraw/zinc/80/77/10/1420807710.db2.gz SBNUXMUMOWQGMO-MOPGFXCFSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001716733207 1420891792 /nfs/dbraw/zinc/89/17/92/1420891792.db2.gz BEEJAUBAPZLYHA-TZIWHRDSSA-N 1 3 349.563 3.366 10 0 EGAEHO CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001716733207 1420891795 /nfs/dbraw/zinc/89/17/95/1420891795.db2.gz BEEJAUBAPZLYHA-TZIWHRDSSA-N 1 3 349.563 3.366 10 0 EGAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001716768873 1420913763 /nfs/dbraw/zinc/91/37/63/1420913763.db2.gz HMKXEXSDQGLMQS-HKUYNNGSSA-N 1 3 337.552 3.266 10 0 EGAEHO CC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829880 1420956417 /nfs/dbraw/zinc/95/64/17/1420956417.db2.gz FFGNCFDJXAUUCV-IRUYWQDXSA-N 1 3 349.563 3.389 10 0 EGAEHO CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CCC)C2 ZINC001716829880 1420956419 /nfs/dbraw/zinc/95/64/19/1420956419.db2.gz FFGNCFDJXAUUCV-IRUYWQDXSA-N 1 3 349.563 3.389 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001716830097 1420956625 /nfs/dbraw/zinc/95/66/25/1420956625.db2.gz JFENUSJGFKGKJO-NRFANRHFSA-N 1 3 349.563 3.221 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001716830097 1420956627 /nfs/dbraw/zinc/95/66/27/1420956627.db2.gz JFENUSJGFKGKJO-NRFANRHFSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@@H](c1ccccc1F)N1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001716887785 1421011590 /nfs/dbraw/zinc/01/15/90/1421011590.db2.gz ZCVAMHHMJHVAND-INIZCTEOSA-N 1 3 349.494 3.057 10 0 EGAEHO CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001717201943 1421169827 /nfs/dbraw/zinc/16/98/27/1421169827.db2.gz LLGBFMDKEGZCGG-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001717201943 1421169829 /nfs/dbraw/zinc/16/98/29/1421169829.db2.gz LLGBFMDKEGZCGG-MSOLQXFVSA-N 1 3 325.541 3.124 10 0 EGAEHO CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216038 1421194049 /nfs/dbraw/zinc/19/40/49/1421194049.db2.gz CJTLPQCTDHILPB-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001717216038 1421194051 /nfs/dbraw/zinc/19/40/51/1421194051.db2.gz CJTLPQCTDHILPB-RTBURBONSA-N 1 3 337.552 3.076 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC001717336887 1421274110 /nfs/dbraw/zinc/27/41/10/1421274110.db2.gz TYDZVSZHVGHRQT-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC001717336887 1421274111 /nfs/dbraw/zinc/27/41/11/1421274111.db2.gz TYDZVSZHVGHRQT-HKUYNNGSSA-N 1 3 335.536 3.188 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CCCCC2)C1 ZINC001717370146 1421307657 /nfs/dbraw/zinc/30/76/57/1421307657.db2.gz CDQRFSDALUVKFI-AZUAARDMSA-N 1 3 349.563 3.221 10 0 EGAEHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CCCCC2)C1 ZINC001717370146 1421307660 /nfs/dbraw/zinc/30/76/60/1421307660.db2.gz CDQRFSDALUVKFI-AZUAARDMSA-N 1 3 349.563 3.221 10 0 EGAEHO CN(CC(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001717389801 1421328219 /nfs/dbraw/zinc/32/82/19/1421328219.db2.gz AUCYDEMQASXDSQ-UHFFFAOYSA-N 1 3 349.563 3.339 10 0 EGAEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001717423425 1421353134 /nfs/dbraw/zinc/35/31/34/1421353134.db2.gz SIQMTXHGBSZJCG-HZPDHXFCSA-N 1 3 349.494 3.013 10 0 EGAEHO CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001717458046 1421387508 /nfs/dbraw/zinc/38/75/08/1421387508.db2.gz DMHRIAAOXDKKDF-QGZVFWFLSA-N 1 3 325.541 3.124 10 0 EGAEHO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001717483997 1421419483 /nfs/dbraw/zinc/41/94/83/1421419483.db2.gz QWHWGRAWJNPHFV-GOSISDBHSA-N 1 3 345.531 3.114 10 0 EGAEHO Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001717483997 1421419485 /nfs/dbraw/zinc/41/94/85/1421419485.db2.gz QWHWGRAWJNPHFV-GOSISDBHSA-N 1 3 345.531 3.114 10 0 EGAEHO CC(C)N(C)CC(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001717564308 1421499034 /nfs/dbraw/zinc/49/90/34/1421499034.db2.gz FJCXTPABPKMYIX-QGZVFWFLSA-N 1 3 337.552 3.124 10 0 EGAEHO C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001717670296 1421559681 /nfs/dbraw/zinc/55/96/81/1421559681.db2.gz CPHSXZNYLVGTHF-JKSUJKDBSA-N 1 3 349.494 3.246 10 0 EGAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959827 1421731421 /nfs/dbraw/zinc/73/14/21/1421731421.db2.gz INGHBJJUMPQCFG-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)N1CCCC1 ZINC001717973983 1421745682 /nfs/dbraw/zinc/74/56/82/1421745682.db2.gz PJQZOESZNPQLJF-ROUUACIJSA-N 1 3 337.552 3.027 10 0 EGAEHO CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001717985326 1421758119 /nfs/dbraw/zinc/75/81/19/1421758119.db2.gz FYNITZWCEYBBQB-KTUYXQPPSA-N 1 3 337.552 3.146 10 0 EGAEHO CC[C@H](C(=O)NC1(C2CC[NH+](CC3=CCCCC3)CC2)CC1)N(C)C ZINC001718003149 1421769491 /nfs/dbraw/zinc/76/94/91/1421769491.db2.gz DUMUWXKWXPBAHP-LJQANCHMSA-N 1 3 347.547 3.188 10 0 EGAEHO Cc1cc(CN2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406033 1429603324 /nfs/dbraw/zinc/60/33/24/1429603324.db2.gz LCDSXFJZVMHQCR-PKOBYXMFSA-N 1 3 349.544 3.012 10 0 EGAEHO Cc1cc(CN2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC001733406033 1429603326 /nfs/dbraw/zinc/60/33/26/1429603326.db2.gz LCDSXFJZVMHQCR-PKOBYXMFSA-N 1 3 349.544 3.012 10 0 EGAEHO C[C@@H](c1ccc(F)cc1)N1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459933 1429684148 /nfs/dbraw/zinc/68/41/48/1429684148.db2.gz ARJMENDGFCYIRJ-OXJNMPFZSA-N 1 3 349.494 3.057 10 0 EGAEHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CCC(C)CC1)c1ccccc1F ZINC001723158275 1424311390 /nfs/dbraw/zinc/31/13/90/1424311390.db2.gz XALBONOFBGGAKR-KRWDZBQOSA-N 1 3 349.494 3.057 10 0 EGAEHO CC/C=C\CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609020 1424491085 /nfs/dbraw/zinc/49/10/85/1424491085.db2.gz NMIDRAMCJWRBHD-PXDRNWIDSA-N 1 3 349.563 3.245 10 0 EGAEHO CC/C=C\CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001723609020 1424491087 /nfs/dbraw/zinc/49/10/87/1424491087.db2.gz NMIDRAMCJWRBHD-PXDRNWIDSA-N 1 3 349.563 3.245 10 0 EGAEHO CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001723614070 1424493838 /nfs/dbraw/zinc/49/38/38/1424493838.db2.gz CNGIWCISDJJAQF-JLYLLQBASA-N 1 3 335.536 3.019 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001723720557 1424545746 /nfs/dbraw/zinc/54/57/46/1424545746.db2.gz BOVRCPASDQMYLK-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCCCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001723720557 1424545751 /nfs/dbraw/zinc/54/57/51/1424545751.db2.gz BOVRCPASDQMYLK-NRFANRHFSA-N 1 3 349.563 3.223 10 0 EGAEHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533230 1429739929 /nfs/dbraw/zinc/73/99/29/1429739929.db2.gz ITBRWSIYYUKIGJ-HKUYNNGSSA-N 1 3 349.563 3.125 10 0 EGAEHO CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001733537731 1429744023 /nfs/dbraw/zinc/74/40/23/1429744023.db2.gz WQJGNIJJUJNQAF-GLCUZYPYSA-N 1 3 349.563 3.291 10 0 EGAEHO CC[C@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1)N(C)C ZINC001724089463 1424656235 /nfs/dbraw/zinc/65/62/35/1424656235.db2.gz QTGRYGNZNGXLGG-IAGOWNOFSA-N 1 3 325.541 3.027 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175755 1424710328 /nfs/dbraw/zinc/71/03/28/1424710328.db2.gz PQFYCESHLCAYGC-NQIIRXRSSA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175755 1424710331 /nfs/dbraw/zinc/71/03/31/1424710331.db2.gz PQFYCESHLCAYGC-NQIIRXRSSA-N 1 3 343.515 3.032 10 0 EGAEHO C[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC001724175755 1424710343 /nfs/dbraw/zinc/71/03/43/1424710343.db2.gz PQFYCESHLCAYGC-NQIIRXRSSA-N 1 3 343.515 3.032 10 0 EGAEHO CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001724248654 1424754477 /nfs/dbraw/zinc/75/44/77/1424754477.db2.gz DZFRGZMLRQDYKM-GXGIYUIGSA-N 1 3 349.563 3.434 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251678 1424756681 /nfs/dbraw/zinc/75/66/81/1424756681.db2.gz UPDGYCWVGFMDBA-WIYYLYMNSA-N 1 3 349.563 3.127 10 0 EGAEHO CC(C)CN1Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2C1 ZINC001724922891 1425309670 /nfs/dbraw/zinc/30/96/70/1425309670.db2.gz ISCADNNRVOQMHR-UHFFFAOYSA-N 1 3 331.504 3.006 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979636 1425380858 /nfs/dbraw/zinc/38/08/58/1425380858.db2.gz NLMKKQLGWNVNTG-ROUUACIJSA-N 1 3 337.552 3.122 10 0 EGAEHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C)N1CCCCC1 ZINC001724979636 1425380870 /nfs/dbraw/zinc/38/08/70/1425380870.db2.gz NLMKKQLGWNVNTG-ROUUACIJSA-N 1 3 337.552 3.122 10 0 EGAEHO C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccsc1)CC2 ZINC001725622926 1426288917 /nfs/dbraw/zinc/28/89/17/1426288917.db2.gz IGDWRQOHCCAMBF-PKOBYXMFSA-N 1 3 349.544 3.093 10 0 EGAEHO CCC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498971 1427477102 /nfs/dbraw/zinc/47/71/02/1427477102.db2.gz BNWHAGUEYPVZFT-LIXSYLKWSA-N 1 3 349.563 3.435 10 0 EGAEHO CCC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001731498971 1427477104 /nfs/dbraw/zinc/47/71/04/1427477104.db2.gz BNWHAGUEYPVZFT-LIXSYLKWSA-N 1 3 349.563 3.435 10 0 EGAEHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664845 1429858895 /nfs/dbraw/zinc/85/88/95/1429858895.db2.gz CVPBPYOIDGHSGL-QUCCMNQESA-N 1 3 349.563 3.127 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001733682326 1429894057 /nfs/dbraw/zinc/89/40/57/1429894057.db2.gz GNICYIYGDYLVTM-VQIMIIECSA-N 1 3 349.494 3.187 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001733782533 1430049379 /nfs/dbraw/zinc/04/93/79/1430049379.db2.gz JXGWCGHSLIKNGB-VQTJNVASSA-N 1 3 349.563 3.077 10 0 EGAEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001733782533 1430049384 /nfs/dbraw/zinc/04/93/84/1430049384.db2.gz JXGWCGHSLIKNGB-VQTJNVASSA-N 1 3 349.563 3.077 10 0 EGAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1 ZINC001733808863 1430083125 /nfs/dbraw/zinc/08/31/25/1430083125.db2.gz ASFFEUCOOFRIEA-GOSISDBHSA-N 1 3 335.536 3.022 10 0 EGAEHO CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001734098801 1437883059 /nfs/dbraw/zinc/88/30/59/1437883059.db2.gz DRSOCRNQEQEUGY-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO CCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001734098801 1437883061 /nfs/dbraw/zinc/88/30/61/1437883061.db2.gz DRSOCRNQEQEUGY-MOPGFXCFSA-N 1 3 337.552 3.410 10 0 EGAEHO