smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000760161696 1032484787 /nfs/dbraw/zinc/48/47/87/1032484787.db2.gz ZDVFOMBJNWWUQH-STQMWFEESA-N 1 3 344.330 4.347 20 0 EIADHO Cc1nc(C)c([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000178424699 1032537457 /nfs/dbraw/zinc/53/74/57/1032537457.db2.gz KKTWNBOEGKVOLG-CQSZACIVSA-N 1 3 329.513 4.207 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C(c1ccccc1)c1ccccc1 ZINC000643546633 1018899018 /nfs/dbraw/zinc/89/90/18/1018899018.db2.gz SEKKXNMQTCKDJQ-GHTZIAJQSA-N 1 3 334.507 4.471 20 0 EIADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548981 1018935310 /nfs/dbraw/zinc/93/53/10/1018935310.db2.gz YMLFKCHVMASXPX-WMLDXEAASA-N 1 3 340.433 4.291 20 0 EIADHO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000432814816 1032860063 /nfs/dbraw/zinc/86/00/63/1032860063.db2.gz BIRCCNUGZUCPAJ-FQEVSTJZSA-N 1 3 338.495 4.278 20 0 EIADHO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000432814816 1032860064 /nfs/dbraw/zinc/86/00/64/1032860064.db2.gz BIRCCNUGZUCPAJ-FQEVSTJZSA-N 1 3 338.495 4.278 20 0 EIADHO COCCCC1(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC001204496331 1020976549 /nfs/dbraw/zinc/97/65/49/1020976549.db2.gz FWDKMAUAYGNQNF-FQEVSTJZSA-N 1 3 336.564 4.027 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000340462317 1021063212 /nfs/dbraw/zinc/06/32/12/1021063212.db2.gz LDKAEPNKZRLBQE-JOCHJYFZSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000340462317 1021063222 /nfs/dbraw/zinc/06/32/22/1021063222.db2.gz LDKAEPNKZRLBQE-JOCHJYFZSA-N 1 3 338.495 4.400 20 0 EIADHO CC[NH+](CC)CCCN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001167318395 1021071158 /nfs/dbraw/zinc/07/11/58/1021071158.db2.gz KKUXICWUPGXOAC-UHFFFAOYSA-N 1 3 330.516 4.098 20 0 EIADHO CCN(CC)CCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001167318395 1021071162 /nfs/dbraw/zinc/07/11/62/1021071162.db2.gz KKUXICWUPGXOAC-UHFFFAOYSA-N 1 3 330.516 4.098 20 0 EIADHO CCN(CC)CCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC001167318395 1021071169 /nfs/dbraw/zinc/07/11/69/1021071169.db2.gz KKUXICWUPGXOAC-UHFFFAOYSA-N 1 3 330.516 4.098 20 0 EIADHO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000537955148 1021130297 /nfs/dbraw/zinc/13/02/97/1021130297.db2.gz JFXVAURZBMYVNH-FDFHNCONSA-N 1 3 344.543 4.131 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000340519542 1021186432 /nfs/dbraw/zinc/18/64/32/1021186432.db2.gz MLMXSXZAJOOEDF-JOCHJYFZSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000340519542 1021186439 /nfs/dbraw/zinc/18/64/39/1021186439.db2.gz MLMXSXZAJOOEDF-JOCHJYFZSA-N 1 3 338.495 4.400 20 0 EIADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1csc(-c2ccccc2)n1 ZINC000414147439 1021966655 /nfs/dbraw/zinc/96/66/55/1021966655.db2.gz MGIWSMGSQIOFBC-HNNXBMFYSA-N 1 3 329.513 4.335 20 0 EIADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1csc(-c2ccccc2)n1 ZINC000414147439 1021966674 /nfs/dbraw/zinc/96/66/74/1021966674.db2.gz MGIWSMGSQIOFBC-HNNXBMFYSA-N 1 3 329.513 4.335 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)ccc1OC ZINC000180259710 1022457391 /nfs/dbraw/zinc/45/73/91/1022457391.db2.gz WHGGJTYQMFRZNY-PXNSSMCTSA-N 1 3 348.531 4.147 20 0 EIADHO C1CCC(N2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)CC1 ZINC000414373270 1022794313 /nfs/dbraw/zinc/79/43/13/1022794313.db2.gz ZEVIKZLHDZLMAG-UHFFFAOYSA-N 1 3 334.548 4.113 20 0 EIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672599 1023255410 /nfs/dbraw/zinc/25/54/10/1023255410.db2.gz OJELGPNBPZUIOD-UGKGYDQZSA-N 1 3 335.495 4.035 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672599 1023255413 /nfs/dbraw/zinc/25/54/13/1023255413.db2.gz OJELGPNBPZUIOD-UGKGYDQZSA-N 1 3 335.495 4.035 20 0 EIADHO C[C@H]1C[C@@H](NCc2cccc3c2CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000415046491 1023409040 /nfs/dbraw/zinc/40/90/40/1023409040.db2.gz ZTYLDQFIAXMZEM-RXVVDRJESA-N 1 3 349.522 4.187 20 0 EIADHO C[C@H]1C[C@@H](NCc2cccc3c2CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000415046491 1023409044 /nfs/dbraw/zinc/40/90/44/1023409044.db2.gz ZTYLDQFIAXMZEM-RXVVDRJESA-N 1 3 349.522 4.187 20 0 EIADHO [NH3+]CCC[C@@H](NCc1ccc(Br)s1)c1ccccc1 ZINC000415050603 1023409996 /nfs/dbraw/zinc/40/99/96/1023409996.db2.gz IUUHDOMTSQUJCN-CQSZACIVSA-N 1 3 339.302 4.080 20 0 EIADHO COc1cccc([C@@H](NC2CCC([NH3+])CC2)c2ccccc2Cl)c1 ZINC000415086633 1023437454 /nfs/dbraw/zinc/43/74/54/1023437454.db2.gz SHHWFXKSFWLGJK-ALLBUHFWSA-N 1 3 344.886 4.298 20 0 EIADHO c1nc(C2CCCC2)sc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786175 1023527892 /nfs/dbraw/zinc/52/78/92/1023527892.db2.gz LVJHPYKRYAVITB-QGZVFWFLSA-N 1 3 333.545 4.012 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000581693911 1023616496 /nfs/dbraw/zinc/61/64/96/1023616496.db2.gz VAGZZFNXVJSKFU-SFHVURJKSA-N 1 3 329.532 4.121 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000581693911 1023616506 /nfs/dbraw/zinc/61/65/06/1023616506.db2.gz VAGZZFNXVJSKFU-SFHVURJKSA-N 1 3 329.532 4.121 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000581847178 1023763293 /nfs/dbraw/zinc/76/32/93/1023763293.db2.gz XUMGTXUDNDRSLE-MBSJSRAVSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000581847178 1023763295 /nfs/dbraw/zinc/76/32/95/1023763295.db2.gz XUMGTXUDNDRSLE-MBSJSRAVSA-N 1 3 326.406 4.040 20 0 EIADHO CSC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(F)(F)F)cc1 ZINC000581903436 1023856724 /nfs/dbraw/zinc/85/67/24/1023856724.db2.gz BLUJUVRUFXTDBG-HNNXBMFYSA-N 1 3 348.478 4.287 20 0 EIADHO CC[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OC(F)F ZINC000341626505 1023964024 /nfs/dbraw/zinc/96/40/24/1023964024.db2.gz MRFQITXWHDRONF-HOCLYGCPSA-N 1 3 326.431 4.203 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652149879 1024331375 /nfs/dbraw/zinc/33/13/75/1024331375.db2.gz DOYMMLURCRGZMQ-WIYYLYMNSA-N 1 3 329.532 4.413 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000341705153 1024356945 /nfs/dbraw/zinc/35/69/45/1024356945.db2.gz IRRVLOHIEYSTLB-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000341705153 1024356964 /nfs/dbraw/zinc/35/69/64/1024356964.db2.gz IRRVLOHIEYSTLB-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611406 1025057614 /nfs/dbraw/zinc/05/76/14/1025057614.db2.gz GLMNPPYBBXFDNC-NFBKMPQASA-N 1 3 349.522 4.425 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611406 1025057625 /nfs/dbraw/zinc/05/76/25/1025057625.db2.gz GLMNPPYBBXFDNC-NFBKMPQASA-N 1 3 349.522 4.425 20 0 EIADHO C[C@@H](NCc1ccc2occc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511985604 1025396542 /nfs/dbraw/zinc/39/65/42/1025396542.db2.gz AQDRCOCJWSSLRC-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H](NCc1ccc2occc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511985604 1025396563 /nfs/dbraw/zinc/39/65/63/1025396563.db2.gz AQDRCOCJWSSLRC-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000511985604 1025396582 /nfs/dbraw/zinc/39/65/82/1025396582.db2.gz AQDRCOCJWSSLRC-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925784402 1025655302 /nfs/dbraw/zinc/65/53/02/1025655302.db2.gz RBRQMJJUQXUZRZ-ZFWWWQNUSA-N 1 3 328.472 4.083 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001167835855 1025838999 /nfs/dbraw/zinc/83/89/99/1025838999.db2.gz URHYHUJXAIJPTP-OALUTQOASA-N 1 3 349.538 4.015 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000431328328 1025874513 /nfs/dbraw/zinc/87/45/13/1025874513.db2.gz MLXYJIGVUBRWJJ-IBGZPJMESA-N 1 3 348.918 4.326 20 0 EIADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccc(OC(F)F)c1 ZINC000390933921 1026093593 /nfs/dbraw/zinc/09/35/93/1026093593.db2.gz IHMSCUZAYPUUBQ-LSDHHAIUSA-N 1 3 326.431 4.061 20 0 EIADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)CN1CCCCC1 ZINC000390933911 1026094296 /nfs/dbraw/zinc/09/42/96/1026094296.db2.gz IHMSCUZAYPUUBQ-GJZGRUSLSA-N 1 3 326.431 4.061 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)CN1CCCCC1 ZINC000390933906 1026095513 /nfs/dbraw/zinc/09/55/13/1026095513.db2.gz IHMSCUZAYPUUBQ-CABCVRRESA-N 1 3 326.431 4.061 20 0 EIADHO CCC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000582091755 1026129440 /nfs/dbraw/zinc/12/94/40/1026129440.db2.gz ISXLCEUWOQUPCI-NRFANRHFSA-N 1 3 344.543 4.085 20 0 EIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000344295250 1026222208 /nfs/dbraw/zinc/22/22/08/1026222208.db2.gz JKKHEQLYUAXKCV-PCCBWWKXSA-N 1 3 344.543 4.131 20 0 EIADHO c1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162925788 1026331999 /nfs/dbraw/zinc/33/19/99/1026331999.db2.gz BVNRWPMYEHWUAQ-NRFANRHFSA-N 1 3 336.479 4.286 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000506891362 1026507258 /nfs/dbraw/zinc/50/72/58/1026507258.db2.gz ODHDTEVAYBVLLT-UHFFFAOYSA-N 1 3 337.577 4.286 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000506891362 1026507262 /nfs/dbraw/zinc/50/72/62/1026507262.db2.gz ODHDTEVAYBVLLT-UHFFFAOYSA-N 1 3 337.577 4.286 20 0 EIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1OC ZINC000474476299 1027106796 /nfs/dbraw/zinc/10/67/96/1027106796.db2.gz WXGBPMYDZGKMPK-RCCFBDPRSA-N 1 3 348.531 4.050 20 0 EIADHO Cc1ccncc1CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000474597014 1027261602 /nfs/dbraw/zinc/26/16/02/1027261602.db2.gz IPGNDHAUZXSQIW-UHFFFAOYSA-N 1 3 337.511 4.444 20 0 EIADHO Cc1ccncc1CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000474597014 1027261635 /nfs/dbraw/zinc/26/16/35/1027261635.db2.gz IPGNDHAUZXSQIW-UHFFFAOYSA-N 1 3 337.511 4.444 20 0 EIADHO Cc1cc(C)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000657611658 1027286227 /nfs/dbraw/zinc/28/62/27/1027286227.db2.gz BJMNAXPAULPDHU-UHFFFAOYSA-N 1 3 337.511 4.009 20 0 EIADHO Cc1cc(Cl)ccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613826 1027304407 /nfs/dbraw/zinc/30/44/07/1027304407.db2.gz RXQQIMCNIWTDOP-UHFFFAOYSA-N 1 3 343.902 4.045 20 0 EIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000474628558 1027337816 /nfs/dbraw/zinc/33/78/16/1027337816.db2.gz LBXKIXAXRKKFOX-CBBWQLFWSA-N 1 3 326.937 4.215 20 0 EIADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)CN1CCCCC1 ZINC000320904073 1027543082 /nfs/dbraw/zinc/54/30/82/1027543082.db2.gz CLRMOYYJAYHBIG-GJZGRUSLSA-N 1 3 326.431 4.061 20 0 EIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1OC ZINC000474941548 1027810200 /nfs/dbraw/zinc/81/02/00/1027810200.db2.gz JLHHRLRTIZVMQR-KZNAEPCWSA-N 1 3 348.531 4.050 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000280803820 1027895882 /nfs/dbraw/zinc/89/58/82/1027895882.db2.gz LBRWSLUVFNRDMD-DKIMLUQUSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000280803820 1027895887 /nfs/dbraw/zinc/89/58/87/1027895887.db2.gz LBRWSLUVFNRDMD-DKIMLUQUSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280963620 1028312063 /nfs/dbraw/zinc/31/20/63/1028312063.db2.gz ZGTUYTMNSFGFMK-LEUOFYLZSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280963620 1028312083 /nfs/dbraw/zinc/31/20/83/1028312083.db2.gz ZGTUYTMNSFGFMK-LEUOFYLZSA-N 1 3 338.417 4.168 20 0 EIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991944 1028713547 /nfs/dbraw/zinc/71/35/47/1028713547.db2.gz XJEAHAHGWWJEEX-STQMWFEESA-N 1 3 349.466 4.010 20 0 EIADHO CC(C)C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000647302038 1028992180 /nfs/dbraw/zinc/99/21/80/1028992180.db2.gz PKUBGQGLNVZYJC-RBBKRZOGSA-N 1 3 337.511 4.281 20 0 EIADHO CC(C)C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000647302038 1028992201 /nfs/dbraw/zinc/99/22/01/1028992201.db2.gz PKUBGQGLNVZYJC-RBBKRZOGSA-N 1 3 337.511 4.281 20 0 EIADHO CC[C@H](OCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742524 1029054938 /nfs/dbraw/zinc/05/49/38/1029054938.db2.gz ZPFBRCKTYCTISJ-BURNTYAHSA-N 1 3 330.516 4.055 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000650758116 1029218184 /nfs/dbraw/zinc/21/81/84/1029218184.db2.gz JOJUZLHPKJEUQB-CYBMUJFWSA-N 1 3 338.373 4.155 20 0 EIADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000583818867 1029226417 /nfs/dbraw/zinc/22/64/17/1029226417.db2.gz XXKUKFWLOUNLHL-UHFFFAOYSA-N 1 3 349.931 4.237 20 0 EIADHO Cc1ncccc1C[N@@H+](C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168060242 1029469255 /nfs/dbraw/zinc/46/92/55/1029469255.db2.gz VZWIIVAXJCIOAN-QZTJIDSGSA-N 1 3 337.511 4.263 20 0 EIADHO Cc1ncccc1C[N@H+](C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168060242 1029469263 /nfs/dbraw/zinc/46/92/63/1029469263.db2.gz VZWIIVAXJCIOAN-QZTJIDSGSA-N 1 3 337.511 4.263 20 0 EIADHO Fc1ccc([C@@H]2CC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000475351572 1029565686 /nfs/dbraw/zinc/56/56/86/1029565686.db2.gz TYDCUZPMAZPMMV-YLJYHZDGSA-N 1 3 330.491 4.458 20 0 EIADHO CC[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000446820825 1029588451 /nfs/dbraw/zinc/58/84/51/1029588451.db2.gz HXDFEBDSORWXBN-NRFANRHFSA-N 1 3 344.474 4.397 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000091287733 1029882460 /nfs/dbraw/zinc/88/24/60/1029882460.db2.gz QKFXDEDQGIWJGV-CXAGYDPISA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000091287733 1029882462 /nfs/dbraw/zinc/88/24/62/1029882462.db2.gz QKFXDEDQGIWJGV-CXAGYDPISA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000091287733 1029882466 /nfs/dbraw/zinc/88/24/66/1029882466.db2.gz QKFXDEDQGIWJGV-CXAGYDPISA-N 1 3 326.406 4.088 20 0 EIADHO C[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874926 1030091619 /nfs/dbraw/zinc/09/16/19/1030091619.db2.gz RSMXODSGCRGHPK-OXFYSEKESA-N 1 3 332.919 4.392 20 0 EIADHO C[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874926 1030091643 /nfs/dbraw/zinc/09/16/43/1030091643.db2.gz RSMXODSGCRGHPK-OXFYSEKESA-N 1 3 332.919 4.392 20 0 EIADHO C[C@H](CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000447735315 1030312870 /nfs/dbraw/zinc/31/28/70/1030312870.db2.gz CVXCFBZANCNWSL-AQNXPRMDSA-N 1 3 344.543 4.001 20 0 EIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1nccc2ccccc21 ZINC000685456748 1030334554 /nfs/dbraw/zinc/33/45/54/1030334554.db2.gz WTVBMEVGYJEZBD-UHFFFAOYSA-N 1 3 333.479 4.319 20 0 EIADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(Oc4ccccc4)o3)C2)CC1 ZINC000685462861 1030341107 /nfs/dbraw/zinc/34/11/07/1030341107.db2.gz VFXUMRJATBYWMD-SFHVURJKSA-N 1 3 340.467 4.236 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2cccnc21 ZINC000708571139 1030390863 /nfs/dbraw/zinc/39/08/63/1030390863.db2.gz QRYGAPPCCUQJCV-XMSQKQJNSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2cccnc21 ZINC000708571139 1030390878 /nfs/dbraw/zinc/39/08/78/1030390878.db2.gz QRYGAPPCCUQJCV-XMSQKQJNSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000708571139 1030390899 /nfs/dbraw/zinc/39/08/99/1030390899.db2.gz QRYGAPPCCUQJCV-XMSQKQJNSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@@H](CCSc1ccccc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000431607622 1030474617 /nfs/dbraw/zinc/47/46/17/1030474617.db2.gz IIYDPFJVKASULJ-PKOBYXMFSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@@H](CCSc1ccccc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000431607622 1030474631 /nfs/dbraw/zinc/47/46/31/1030474631.db2.gz IIYDPFJVKASULJ-PKOBYXMFSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000685665254 1030663565 /nfs/dbraw/zinc/66/35/65/1030663565.db2.gz ZWTBYODIVNWVFH-KNQAVFIVSA-N 1 3 344.543 4.084 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)c1O ZINC000398182637 1030735420 /nfs/dbraw/zinc/73/54/20/1030735420.db2.gz KKMMTTGOQHOVJI-NQIIRXRSSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)c1O ZINC000398182637 1030735436 /nfs/dbraw/zinc/73/54/36/1030735436.db2.gz KKMMTTGOQHOVJI-NQIIRXRSSA-N 1 3 338.495 4.009 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000093688416 1030743803 /nfs/dbraw/zinc/74/38/03/1030743803.db2.gz RXYIZIZTKSMUBK-UHFFFAOYSA-N 1 3 335.561 4.355 20 0 EIADHO C[C@@H](NCc1ccc2occc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000658120392 1030840845 /nfs/dbraw/zinc/84/08/45/1030840845.db2.gz RKESBWRYWLSYHO-MRXNPFEDSA-N 1 3 338.451 4.224 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658166169 1030864005 /nfs/dbraw/zinc/86/40/05/1030864005.db2.gz MVXIPYXZJDPJPX-LEOXJPRUSA-N 1 3 349.522 4.075 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCCCC1 ZINC000658167558 1030864575 /nfs/dbraw/zinc/86/45/75/1030864575.db2.gz SSIDGNCMEVDILN-SFHVURJKSA-N 1 3 329.532 4.242 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3ccccc32)[C@@H](C)C1 ZINC000531711560 1031495440 /nfs/dbraw/zinc/49/54/40/1031495440.db2.gz GQIVYFQYNOQXFI-DZFGPLHGSA-N 1 3 344.543 4.136 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3ccccc32)[C@@H](C)C1 ZINC000531711560 1031495452 /nfs/dbraw/zinc/49/54/52/1031495452.db2.gz GQIVYFQYNOQXFI-DZFGPLHGSA-N 1 3 344.543 4.136 20 0 EIADHO C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000449231324 1031560121 /nfs/dbraw/zinc/56/01/21/1031560121.db2.gz DGUQYEXVNBSWJX-BXRCABCMSA-N 1 3 348.575 4.499 20 0 EIADHO C[C@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)c2sccc21 ZINC000453094780 1031590761 /nfs/dbraw/zinc/59/07/61/1031590761.db2.gz SZDKZRZDUTVPIA-MAUKXSAKSA-N 1 3 344.524 4.417 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000453256130 1031779282 /nfs/dbraw/zinc/77/92/82/1031779282.db2.gz QQBARDLRMJOYEQ-IFMALSPDSA-N 1 3 337.511 4.425 20 0 EIADHO Cc1cc([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1F ZINC000453266670 1031790478 /nfs/dbraw/zinc/79/04/78/1031790478.db2.gz ZOWKFEUSYFHSEP-IAGOWNOFSA-N 1 3 344.474 4.486 20 0 EIADHO Cc1cc([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1F ZINC000453266669 1031790586 /nfs/dbraw/zinc/79/05/86/1031790586.db2.gz ZOWKFEUSYFHSEP-DLBZAZTESA-N 1 3 344.474 4.486 20 0 EIADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000453346732 1031873062 /nfs/dbraw/zinc/87/30/62/1031873062.db2.gz KOEVFAOSTMYOOY-KRWWSPQJSA-N 1 3 334.891 4.077 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972415 1031908988 /nfs/dbraw/zinc/90/89/88/1031908988.db2.gz RIVLNIKSUXKXEW-UWJYYQICSA-N 1 3 344.449 4.180 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972415 1031909005 /nfs/dbraw/zinc/90/90/05/1031909005.db2.gz RIVLNIKSUXKXEW-UWJYYQICSA-N 1 3 344.449 4.180 20 0 EIADHO Cc1cc([C@@H](NCCCC[N@@H+](C)C2CC2)c2cccnc2)ccc1F ZINC000453405920 1031941062 /nfs/dbraw/zinc/94/10/62/1031941062.db2.gz QVPWEBAUPKUTRR-OAQYLSRUSA-N 1 3 341.474 4.083 20 0 EIADHO Cc1cc([C@@H](NCCCC[N@H+](C)C2CC2)c2cccnc2)ccc1F ZINC000453405920 1031941078 /nfs/dbraw/zinc/94/10/78/1031941078.db2.gz QVPWEBAUPKUTRR-OAQYLSRUSA-N 1 3 341.474 4.083 20 0 EIADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000512632314 1033555767 /nfs/dbraw/zinc/55/57/67/1033555767.db2.gz YZSBOIQZBGAPKD-YZGWKJHDSA-N 1 3 348.481 4.455 20 0 EIADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000512800245 1033981696 /nfs/dbraw/zinc/98/16/96/1033981696.db2.gz YYCAAYSOQRXQIB-AWEZNQCLSA-N 1 3 334.916 4.500 20 0 EIADHO c1ccc(Oc2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)cc1 ZINC000513082569 1034504776 /nfs/dbraw/zinc/50/47/76/1034504776.db2.gz XWJUPESEEYOGBW-UHFFFAOYSA-N 1 3 336.479 4.443 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000333303410 1034627393 /nfs/dbraw/zinc/62/73/93/1034627393.db2.gz QLCMFRXPUSOVPY-IOASZLSFSA-N 1 3 345.487 4.186 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000333347527 1034816309 /nfs/dbraw/zinc/81/63/09/1034816309.db2.gz ZPKMZMYIDKMKLB-BZUAXINKSA-N 1 3 327.497 4.047 20 0 EIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C4CCSCC4)[C@H]3C2)cc1 ZINC000513683637 1035101022 /nfs/dbraw/zinc/10/10/22/1035101022.db2.gz LUBPYKMVIWMFOB-JBACZVJFSA-N 1 3 344.568 4.162 20 0 EIADHO CCc1cc(OC)ccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501475317 1035452648 /nfs/dbraw/zinc/45/26/48/1035452648.db2.gz JINAZXBBFULWMP-UHFFFAOYSA-N 1 3 338.495 4.143 20 0 EIADHO Cc1ccc2nccc(N(C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)c2c1 ZINC000486002062 1036417021 /nfs/dbraw/zinc/41/70/21/1036417021.db2.gz IHIFOUCSFHFYLU-AVRDEDQJSA-N 1 3 346.478 4.067 20 0 EIADHO Cc1ccc2nccc(N(C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)c2c1 ZINC000486002062 1036417032 /nfs/dbraw/zinc/41/70/32/1036417032.db2.gz IHIFOUCSFHFYLU-AVRDEDQJSA-N 1 3 346.478 4.067 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccncc1Cl ZINC000421829454 1036789227 /nfs/dbraw/zinc/78/92/27/1036789227.db2.gz HYXYFXYFLNOXJZ-XYJFISCASA-N 1 3 343.902 4.439 20 0 EIADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641197 1036857952 /nfs/dbraw/zinc/85/79/52/1036857952.db2.gz XAORUCVHJSJQRE-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641197 1036857954 /nfs/dbraw/zinc/85/79/54/1036857954.db2.gz XAORUCVHJSJQRE-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641197 1036857959 /nfs/dbraw/zinc/85/79/59/1036857959.db2.gz XAORUCVHJSJQRE-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641197 1036857963 /nfs/dbraw/zinc/85/79/63/1036857963.db2.gz XAORUCVHJSJQRE-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000503066013 1036888322 /nfs/dbraw/zinc/88/83/22/1036888322.db2.gz XLQSDUVZQMOIJO-MRXNPFEDSA-N 1 3 340.433 4.369 20 0 EIADHO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272298750 1037153306 /nfs/dbraw/zinc/15/33/06/1037153306.db2.gz GNLATBODLQRPQL-BJLQDIEVSA-N 1 3 340.515 4.025 20 0 EIADHO Cc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422713326 1037811042 /nfs/dbraw/zinc/81/10/42/1037811042.db2.gz PNLPDRHYECLCMQ-XJABCFGWSA-N 1 3 336.479 4.210 20 0 EIADHO CCCC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(OC)cc1 ZINC000422718075 1037813046 /nfs/dbraw/zinc/81/30/46/1037813046.db2.gz WLQZOFYBIUDOGF-IIBYNOLFSA-N 1 3 341.499 4.439 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000422769111 1037828638 /nfs/dbraw/zinc/82/86/38/1037828638.db2.gz STIMPJWXUJYTFZ-ORAYPTAESA-N 1 3 329.875 4.304 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000422788108 1037834222 /nfs/dbraw/zinc/83/42/22/1037834222.db2.gz VESUDZWLVGQYRW-KUHUBIRLSA-N 1 3 329.463 4.426 20 0 EIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422911805 1037866669 /nfs/dbraw/zinc/86/66/69/1037866669.db2.gz LOPNYHHTODRSAB-TUCQFJRYSA-N 1 3 330.859 4.150 20 0 EIADHO Cc1cc(C)cc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422891481 1037867644 /nfs/dbraw/zinc/86/76/44/1037867644.db2.gz VKPCHDXDGVPKFG-UCNVEGJOSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000422927718 1037871037 /nfs/dbraw/zinc/87/10/37/1037871037.db2.gz ZWVDKYXTLJJKSZ-DGCLKSJQSA-N 1 3 337.389 4.279 20 0 EIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422937840 1037876616 /nfs/dbraw/zinc/87/66/16/1037876616.db2.gz CUYJBJOIXGCIRF-IHPCNDPISA-N 1 3 326.871 4.410 20 0 EIADHO CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423007456 1037899759 /nfs/dbraw/zinc/89/97/59/1037899759.db2.gz XSKZFQIKNBYPPR-HOCLYGCPSA-N 1 3 329.513 4.070 20 0 EIADHO C[C@@H]1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423004710 1037900060 /nfs/dbraw/zinc/90/00/60/1037900060.db2.gz PUOPICHTKZLICW-UXYIHQQYSA-N 1 3 348.490 4.471 20 0 EIADHO C[C@@H]1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423004709 1037900222 /nfs/dbraw/zinc/90/02/22/1037900222.db2.gz PUOPICHTKZLICW-SBQCITLYSA-N 1 3 348.490 4.471 20 0 EIADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012771 1037904304 /nfs/dbraw/zinc/90/43/04/1037904304.db2.gz LJDMIZUHWJYEFN-PBHICJAKSA-N 1 3 349.931 4.113 20 0 EIADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012771 1037904336 /nfs/dbraw/zinc/90/43/36/1037904336.db2.gz LJDMIZUHWJYEFN-PBHICJAKSA-N 1 3 349.931 4.113 20 0 EIADHO [NH3+][C@H]1C[C@H](N2CCC(Cc3cccc(F)c3F)CC2)c2ccccc21 ZINC000423153204 1038005907 /nfs/dbraw/zinc/00/59/07/1038005907.db2.gz GXSWJBUFXHHVMU-PMACEKPBSA-N 1 3 342.433 4.364 20 0 EIADHO COc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423250943 1038079630 /nfs/dbraw/zinc/07/96/30/1038079630.db2.gz RFVGDDFBRUHGGO-YWZLYKJASA-N 1 3 344.886 4.027 20 0 EIADHO COc1cc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1SC ZINC000423295900 1038119082 /nfs/dbraw/zinc/11/90/82/1038119082.db2.gz XSQAJXOUXNRECJ-KBPBESRZSA-N 1 3 330.497 4.288 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(Br)cc32)cc1 ZINC000423294180 1038120365 /nfs/dbraw/zinc/12/03/65/1038120365.db2.gz TXPDVMMRUVWUKO-SGTLLEGYSA-N 1 3 345.284 4.246 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCS2 ZINC000423295683 1038122913 /nfs/dbraw/zinc/12/29/13/1038122913.db2.gz XEICSOYVSQAHKA-IFXJQAMLSA-N 1 3 342.508 4.432 20 0 EIADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423304356 1038128406 /nfs/dbraw/zinc/12/84/06/1038128406.db2.gz YKPFDRSDZJPIPR-SMDDNHRTSA-N 1 3 335.904 4.025 20 0 EIADHO CC[C@H](NCC1=CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423362776 1038177433 /nfs/dbraw/zinc/17/74/33/1038177433.db2.gz YEMHKGPMUGSUES-HNNXBMFYSA-N 1 3 343.696 4.063 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(Br)c1 ZINC000423363616 1038176024 /nfs/dbraw/zinc/17/60/24/1038176024.db2.gz USAWIJCIVIHUFP-LLVKDONJSA-N 1 3 349.247 4.042 20 0 EIADHO CC(C)c1cccc2c1OCCC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423386676 1038197304 /nfs/dbraw/zinc/19/73/04/1038197304.db2.gz MIQFMTLCKLSWMP-OAQYLSRUSA-N 1 3 336.479 4.417 20 0 EIADHO COc1ccc2oc([C@@H](C)NCc3ccc4c(c3)C[NH2+]C4)c(C)c2c1 ZINC000423375002 1038206828 /nfs/dbraw/zinc/20/68/28/1038206828.db2.gz INYNVHNHEJLWQB-CQSZACIVSA-N 1 3 336.435 4.204 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2c1CCCN2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423411315 1038218122 /nfs/dbraw/zinc/21/81/22/1038218122.db2.gz FJGYTBZHSOWLGY-RXVVDRJESA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1cccc2c1CCCN2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423411315 1038218151 /nfs/dbraw/zinc/21/81/51/1038218151.db2.gz FJGYTBZHSOWLGY-RXVVDRJESA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1cccc2c1CCCN2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423411315 1038218177 /nfs/dbraw/zinc/21/81/77/1038218177.db2.gz FJGYTBZHSOWLGY-RXVVDRJESA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1OC(F)F ZINC000423497346 1038255352 /nfs/dbraw/zinc/25/53/52/1038255352.db2.gz GQSRXIZLNHLLKX-PBHICJAKSA-N 1 3 334.410 4.419 20 0 EIADHO C[N@@H+]1CCC[C@@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000594784436 1038399807 /nfs/dbraw/zinc/39/98/07/1038399807.db2.gz KPNCJRFUUQICNU-FQEVSTJZSA-N 1 3 347.506 4.121 20 0 EIADHO C[N@H+]1CCC[C@@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000594784436 1038399823 /nfs/dbraw/zinc/39/98/23/1038399823.db2.gz KPNCJRFUUQICNU-FQEVSTJZSA-N 1 3 347.506 4.121 20 0 EIADHO C[C@@H](C[NH2+][C@H](Cc1ccncc1)c1cccs1)CN1CCCCC1 ZINC000424274430 1038780528 /nfs/dbraw/zinc/78/05/28/1038780528.db2.gz YWRZGXKYYUYJQQ-PKOBYXMFSA-N 1 3 343.540 4.139 20 0 EIADHO C[C@H](CC[NH2+][C@H](Cc1ccncc1)c1cccs1)N1CCCCC1 ZINC000424279988 1038792742 /nfs/dbraw/zinc/79/27/42/1038792742.db2.gz LDFMJCRJYHBWOY-IEBWSBKVSA-N 1 3 343.540 4.281 20 0 EIADHO CCc1noc(C)c1CN1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000539099139 1038836909 /nfs/dbraw/zinc/83/69/09/1038836909.db2.gz XPVJDBUCGKBKDU-UHFFFAOYSA-N 1 3 335.536 4.125 20 0 EIADHO CCc1noc(C)c1CN1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000539099139 1038836913 /nfs/dbraw/zinc/83/69/13/1038836913.db2.gz XPVJDBUCGKBKDU-UHFFFAOYSA-N 1 3 335.536 4.125 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000504906338 1038845647 /nfs/dbraw/zinc/84/56/47/1038845647.db2.gz WVCDQJSVIWMDGP-LXZJYRNTSA-N 1 3 330.516 4.022 20 0 EIADHO CC(C)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539214310 1038885346 /nfs/dbraw/zinc/88/53/46/1038885346.db2.gz HOMNIUOWRUXXNS-SFHVURJKSA-N 1 3 345.487 4.083 20 0 EIADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OCC ZINC000539269212 1038903018 /nfs/dbraw/zinc/90/30/18/1038903018.db2.gz CAWSSLQGGLLHGU-SJLPKXTDSA-N 1 3 334.504 4.009 20 0 EIADHO CCCN1CCC([NH2+]Cc2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000539259677 1038916692 /nfs/dbraw/zinc/91/66/92/1038916692.db2.gz KWGMDQIGRZDDPA-UHFFFAOYSA-N 1 3 338.495 4.326 20 0 EIADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000119537462 1038933491 /nfs/dbraw/zinc/93/34/91/1038933491.db2.gz JGQFODPFQVWFRU-KRWDZBQOSA-N 1 3 330.516 4.100 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(Br)cc2)C1 ZINC000481027713 1038967956 /nfs/dbraw/zinc/96/79/56/1038967956.db2.gz WRTCKLVHDILORN-YOEHRIQHSA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(Br)cc2)C1 ZINC000481027713 1038967990 /nfs/dbraw/zinc/96/79/90/1038967990.db2.gz WRTCKLVHDILORN-YOEHRIQHSA-N 1 3 339.321 4.222 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000481039925 1038989630 /nfs/dbraw/zinc/98/96/30/1038989630.db2.gz QINATYYIUFKGPW-POAQFYNOSA-N 1 3 348.506 4.182 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2cccc(C)c2)[C@@H](C)C1 ZINC000552244526 1039310407 /nfs/dbraw/zinc/31/04/07/1039310407.db2.gz DEYJCPYKLAQTFD-JBACZVJFSA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2cccc(C)c2)[C@@H](C)C1 ZINC000552244526 1039310423 /nfs/dbraw/zinc/31/04/23/1039310423.db2.gz DEYJCPYKLAQTFD-JBACZVJFSA-N 1 3 332.532 4.173 20 0 EIADHO Cc1cc(CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc(C)c1O ZINC000470132794 1039421522 /nfs/dbraw/zinc/42/15/22/1039421522.db2.gz LPAKSRDOOMWUCN-IERDGZPVSA-N 1 3 344.543 4.184 20 0 EIADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cc2c(s1)CCC2 ZINC000122346297 1039655071 /nfs/dbraw/zinc/65/50/71/1039655071.db2.gz BYQBRTYPFZJKQA-HNNXBMFYSA-N 1 3 344.524 4.028 20 0 EIADHO CCOC1(C)CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000430110105 1039848907 /nfs/dbraw/zinc/84/89/07/1039848907.db2.gz XFGMNUQONCEPOM-UHFFFAOYSA-N 1 3 332.532 4.036 20 0 EIADHO CCOC1(C)CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000430110105 1039848913 /nfs/dbraw/zinc/84/89/13/1039848913.db2.gz XFGMNUQONCEPOM-UHFFFAOYSA-N 1 3 332.532 4.036 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000537692194 1039910151 /nfs/dbraw/zinc/91/01/51/1039910151.db2.gz GKCMHQRFDBPXSI-APWZRJJASA-N 1 3 326.509 4.350 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000537692194 1039910180 /nfs/dbraw/zinc/91/01/80/1039910180.db2.gz GKCMHQRFDBPXSI-APWZRJJASA-N 1 3 326.509 4.350 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000481973095 1039923238 /nfs/dbraw/zinc/92/32/38/1039923238.db2.gz OYSMLJKLDAIPSN-KRWDZBQOSA-N 1 3 348.531 4.399 20 0 EIADHO CC(C)=CCC[C@H](C)CCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000482141709 1040050719 /nfs/dbraw/zinc/05/07/19/1040050719.db2.gz KXFSMXPDTQZBGV-FKBYEOEOSA-N 1 3 349.607 4.249 20 0 EIADHO CC(C)=CCC[C@H](C)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000482251116 1040110475 /nfs/dbraw/zinc/11/04/75/1040110475.db2.gz BJAFQIAWIHJSHC-NRFANRHFSA-N 1 3 349.607 4.109 20 0 EIADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000482443619 1040252367 /nfs/dbraw/zinc/25/23/67/1040252367.db2.gz GRJRCCVNOMECOJ-UHFFFAOYSA-N 1 3 332.507 4.490 20 0 EIADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000482443619 1040252391 /nfs/dbraw/zinc/25/23/91/1040252391.db2.gz GRJRCCVNOMECOJ-UHFFFAOYSA-N 1 3 332.507 4.490 20 0 EIADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482456271 1040254929 /nfs/dbraw/zinc/25/49/29/1040254929.db2.gz ZGWQUNFJGWFIJH-QMHWCDLVSA-N 1 3 334.507 4.074 20 0 EIADHO C[C@H](C[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890642 1040329811 /nfs/dbraw/zinc/32/98/11/1040329811.db2.gz KVYNOJCNKJXPKN-KYJSFNMBSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890642 1040329826 /nfs/dbraw/zinc/32/98/26/1040329826.db2.gz KVYNOJCNKJXPKN-KYJSFNMBSA-N 1 3 340.433 4.225 20 0 EIADHO CCOc1ccc([C@@H]2CCCN2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667487939 1040346916 /nfs/dbraw/zinc/34/69/16/1040346916.db2.gz MIKXVVQYRIQUBK-NRFANRHFSA-N 1 3 348.450 4.003 20 0 EIADHO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667487939 1040346926 /nfs/dbraw/zinc/34/69/26/1040346926.db2.gz MIKXVVQYRIQUBK-NRFANRHFSA-N 1 3 348.450 4.003 20 0 EIADHO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667487939 1040346944 /nfs/dbraw/zinc/34/69/44/1040346944.db2.gz MIKXVVQYRIQUBK-NRFANRHFSA-N 1 3 348.450 4.003 20 0 EIADHO CC(C)[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000479461028 1040371644 /nfs/dbraw/zinc/37/16/44/1040371644.db2.gz AQMLGMKUMBHULA-NQIIRXRSSA-N 1 3 341.474 4.030 20 0 EIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479852142 1040702039 /nfs/dbraw/zinc/70/20/39/1040702039.db2.gz MSYNBGGYQHSLFD-HNNXBMFYSA-N 1 3 345.556 4.281 20 0 EIADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479852146 1040702858 /nfs/dbraw/zinc/70/28/58/1040702858.db2.gz MSYNBGGYQHSLFD-OAHLLOKOSA-N 1 3 345.556 4.281 20 0 EIADHO C[C@H](c1cccc(Br)c1)N1CCC(CC[NH+](C)C)CC1 ZINC000483404595 1040838624 /nfs/dbraw/zinc/83/86/24/1040838624.db2.gz JNRBUVFOZYMOAQ-CQSZACIVSA-N 1 3 339.321 4.174 20 0 EIADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000537883088 1040872529 /nfs/dbraw/zinc/87/25/29/1040872529.db2.gz QQVZAXXVLDWKCE-IXDOHACOSA-N 1 3 349.588 4.431 20 0 EIADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000537883088 1040872535 /nfs/dbraw/zinc/87/25/35/1040872535.db2.gz QQVZAXXVLDWKCE-IXDOHACOSA-N 1 3 349.588 4.431 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483483452 1040872765 /nfs/dbraw/zinc/87/27/65/1040872765.db2.gz NNFKUGPRECHSNE-UKPHBRMFSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483483452 1040872776 /nfs/dbraw/zinc/87/27/76/1040872776.db2.gz NNFKUGPRECHSNE-UKPHBRMFSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000483483452 1040872781 /nfs/dbraw/zinc/87/27/81/1040872781.db2.gz NNFKUGPRECHSNE-UKPHBRMFSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000483483452 1040872782 /nfs/dbraw/zinc/87/27/82/1040872782.db2.gz NNFKUGPRECHSNE-UKPHBRMFSA-N 1 3 326.406 4.183 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060499 1041030850 /nfs/dbraw/zinc/03/08/50/1041030850.db2.gz ZOMVNJIHEARLML-SJCJKPOMSA-N 1 3 327.299 4.376 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060499 1041030865 /nfs/dbraw/zinc/03/08/65/1041030865.db2.gz ZOMVNJIHEARLML-SJCJKPOMSA-N 1 3 327.299 4.376 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060499 1041030876 /nfs/dbraw/zinc/03/08/76/1041030876.db2.gz ZOMVNJIHEARLML-SJCJKPOMSA-N 1 3 327.299 4.376 20 0 EIADHO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)ccc1OC(C)C ZINC000538154820 1041096334 /nfs/dbraw/zinc/09/63/34/1041096334.db2.gz MTNAIKQHBRTUQQ-SJLPKXTDSA-N 1 3 334.504 4.007 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000484316754 1041208493 /nfs/dbraw/zinc/20/84/93/1041208493.db2.gz ZOTCIHCIKUFDQS-OCCSQVGLSA-N 1 3 333.303 4.001 20 0 EIADHO CCCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000540170830 1041214395 /nfs/dbraw/zinc/21/43/95/1041214395.db2.gz PQQFQAZQSDWNND-OTWHNJEPSA-N 1 3 348.531 4.015 20 0 EIADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCCO2 ZINC000540189413 1041234625 /nfs/dbraw/zinc/23/46/25/1041234625.db2.gz CFYCMVYDIUZFBM-IBGZPJMESA-N 1 3 330.516 4.370 20 0 EIADHO Cc1ccc(C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C2CC2)cc1 ZINC000484497317 1041275776 /nfs/dbraw/zinc/27/57/76/1041275776.db2.gz FUVIWCYVNDZLLV-QFIPXVFZSA-N 1 3 326.528 4.313 20 0 EIADHO COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1OC ZINC000924796837 1041394497 /nfs/dbraw/zinc/39/44/97/1041394497.db2.gz DIAWULFSVSFOLK-JKSUJKDBSA-N 1 3 342.483 4.177 20 0 EIADHO C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538554213 1041417113 /nfs/dbraw/zinc/41/71/13/1041417113.db2.gz SACZNMBNKKMYJK-INIZCTEOSA-N 1 3 342.458 4.106 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000480732566 1041496091 /nfs/dbraw/zinc/49/60/91/1041496091.db2.gz SOZSITHMHXIRFA-HZEGPAAWSA-N 1 3 336.564 4.213 20 0 EIADHO Brc1ccc([C@@H]([NH2+]CCCN2CCCC2)C2CC2)s1 ZINC000439148343 1042520450 /nfs/dbraw/zinc/52/04/50/1042520450.db2.gz XMMHTOBXEOADRN-HNNXBMFYSA-N 1 3 343.334 4.037 20 0 EIADHO COC[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493884680 1042971202 /nfs/dbraw/zinc/97/12/02/1042971202.db2.gz ZNNQGCITJNPICD-LPHOPBHVSA-N 1 3 338.923 4.272 20 0 EIADHO COC[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493884680 1042971214 /nfs/dbraw/zinc/97/12/14/1042971214.db2.gz ZNNQGCITJNPICD-LPHOPBHVSA-N 1 3 338.923 4.272 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000183192170 1043039477 /nfs/dbraw/zinc/03/94/77/1043039477.db2.gz XWFVSDGZTDXWMT-DOADOZAASA-N 1 3 344.543 4.430 20 0 EIADHO C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000388842125 1043061947 /nfs/dbraw/zinc/06/19/47/1043061947.db2.gz YFOLSSDRRPBLHW-NQIIRXRSSA-N 1 3 345.490 4.235 20 0 EIADHO Cc1c([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cnn1-c1ccccc1 ZINC000766045669 1043231305 /nfs/dbraw/zinc/23/13/05/1043231305.db2.gz SXUODVSZBQYACA-OXQOHEQNSA-N 1 3 342.531 4.198 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cccnc2c1 ZINC000674067648 1043386973 /nfs/dbraw/zinc/38/69/73/1043386973.db2.gz MRFXEFYUGRPDEB-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cccnc2c1 ZINC000674067648 1043386980 /nfs/dbraw/zinc/38/69/80/1043386980.db2.gz MRFXEFYUGRPDEB-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665281204 1043650105 /nfs/dbraw/zinc/65/01/05/1043650105.db2.gz XBNDKGQOAVEGHH-BLLLJJGKSA-N 1 3 335.492 4.282 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000479409956 1044247252 /nfs/dbraw/zinc/24/72/52/1044247252.db2.gz KUYOCTBCESFCBL-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CCC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000191207815 1044278657 /nfs/dbraw/zinc/27/86/57/1044278657.db2.gz RHBQFHHIMJZFLF-LJQANCHMSA-N 1 3 332.513 4.320 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000474065803 1044340476 /nfs/dbraw/zinc/34/04/76/1044340476.db2.gz HBEQVLFMTPOMNV-LJQANCHMSA-N 1 3 330.516 4.270 20 0 EIADHO CN(C)C1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000194990117 1044406315 /nfs/dbraw/zinc/40/63/15/1044406315.db2.gz POVWKONFUOMTRE-UHFFFAOYSA-N 1 3 328.422 4.054 20 0 EIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728293 1044461876 /nfs/dbraw/zinc/46/18/76/1044461876.db2.gz FVLGTTIIQYEYGU-OXQOHEQNSA-N 1 3 325.500 4.255 20 0 EIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728293 1044461897 /nfs/dbraw/zinc/46/18/97/1044461897.db2.gz FVLGTTIIQYEYGU-OXQOHEQNSA-N 1 3 325.500 4.255 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccccc2[nH]1 ZINC000675790079 1044502419 /nfs/dbraw/zinc/50/24/19/1044502419.db2.gz RCMADJNBHUDIDA-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccccc2[nH]1 ZINC000675790079 1044502448 /nfs/dbraw/zinc/50/24/48/1044502448.db2.gz RCMADJNBHUDIDA-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO Cc1ccccc1OCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000543461463 1044650949 /nfs/dbraw/zinc/65/09/49/1044650949.db2.gz GYLWTVOGIWUTRG-OALUTQOASA-N 1 3 330.516 4.007 20 0 EIADHO C[C@H]([NH2+]Cc1scnc1C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000487567675 1045227570 /nfs/dbraw/zinc/22/75/70/1045227570.db2.gz YJPUMVZNOLODDQ-YJBOKZPZSA-N 1 3 341.524 4.021 20 0 EIADHO CCN1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000766259415 1045251461 /nfs/dbraw/zinc/25/14/61/1045251461.db2.gz YLSAAUYOGXAUSR-TUKIKUTGSA-N 1 3 343.298 4.137 20 0 EIADHO C[C@H](CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000237463495 1045386271 /nfs/dbraw/zinc/38/62/71/1045386271.db2.gz REHDFNYQZCUUTD-IFMALSPDSA-N 1 3 336.523 4.334 20 0 EIADHO CN(Cc1ccc(Br)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000768169050 1045734390 /nfs/dbraw/zinc/73/43/90/1045734390.db2.gz CVTAWDHVZQLHDV-UHFFFAOYSA-N 1 3 347.300 4.143 20 0 EIADHO CC(C)c1ccc(C2(O)CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000769005143 1045876141 /nfs/dbraw/zinc/87/61/41/1045876141.db2.gz TWEIJZFGNTVYFK-UHFFFAOYSA-N 1 3 344.543 4.016 20 0 EIADHO COc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1SC ZINC000769192013 1045885733 /nfs/dbraw/zinc/88/57/33/1045885733.db2.gz FSEQZGFYFVQHBF-UHFFFAOYSA-N 1 3 344.524 4.111 20 0 EIADHO C[N@@H+](Cc1cncc2ccccc21)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769403344 1045952410 /nfs/dbraw/zinc/95/24/10/1045952410.db2.gz QPWQICJXPIMIQO-HXUWFJFHSA-N 1 3 345.490 4.189 20 0 EIADHO C[N@H+](Cc1cncc2ccccc21)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000769403344 1045952422 /nfs/dbraw/zinc/95/24/22/1045952422.db2.gz QPWQICJXPIMIQO-HXUWFJFHSA-N 1 3 345.490 4.189 20 0 EIADHO CCC[NH+]1CCC(N[C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000161621928 1046010912 /nfs/dbraw/zinc/01/09/12/1046010912.db2.gz AGSKNECYPUYYIX-CABCVRRESA-N 1 3 331.529 4.252 20 0 EIADHO CCOc1ccc([C@@H](C)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000124004558 1046211603 /nfs/dbraw/zinc/21/16/03/1046211603.db2.gz NYPNRKVQMARNHS-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO CCOc1ccc([C@@H](C)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000124004558 1046211615 /nfs/dbraw/zinc/21/16/15/1046211615.db2.gz NYPNRKVQMARNHS-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO CCN(C)C[C@@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006466 1046252393 /nfs/dbraw/zinc/25/23/93/1046252393.db2.gz BURJBNOXFDPDCB-KRWDZBQOSA-N 1 3 342.449 4.302 20 0 EIADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006466 1046252411 /nfs/dbraw/zinc/25/24/11/1046252411.db2.gz BURJBNOXFDPDCB-KRWDZBQOSA-N 1 3 342.449 4.302 20 0 EIADHO CC[N@H+](C)C[C@@H]1CCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006466 1046252420 /nfs/dbraw/zinc/25/24/20/1046252420.db2.gz BURJBNOXFDPDCB-KRWDZBQOSA-N 1 3 342.449 4.302 20 0 EIADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006466 1046252445 /nfs/dbraw/zinc/25/24/45/1046252445.db2.gz BURJBNOXFDPDCB-KRWDZBQOSA-N 1 3 342.449 4.302 20 0 EIADHO CN1CCCC[C@H]1c1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001170450925 1046496430 /nfs/dbraw/zinc/49/64/30/1046496430.db2.gz OBTBFSKBBBBHEN-SFHVURJKSA-N 1 3 344.547 4.302 20 0 EIADHO COc1ccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)cc1 ZINC000459408126 1046628129 /nfs/dbraw/zinc/62/81/29/1046628129.db2.gz IHMKYKJYHZMKME-UHFFFAOYSA-N 1 3 336.479 4.079 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000536678536 1046663568 /nfs/dbraw/zinc/66/35/68/1046663568.db2.gz CASQGRBTSJJWQA-DOMZBBRYSA-N 1 3 346.849 4.104 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000536678536 1046663576 /nfs/dbraw/zinc/66/35/76/1046663576.db2.gz CASQGRBTSJJWQA-DOMZBBRYSA-N 1 3 346.849 4.104 20 0 EIADHO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000459467893 1046703134 /nfs/dbraw/zinc/70/31/34/1046703134.db2.gz QQUSBCWKZZXLKD-NHUPUQRLSA-N 1 3 326.528 4.349 20 0 EIADHO Fc1ccc2[nH]cc(CC[NH2+]C3CCN(C4CCCCC4)CC3)c2c1 ZINC000127834510 1046729661 /nfs/dbraw/zinc/72/96/61/1046729661.db2.gz JDUVISARCRDDPG-UHFFFAOYSA-N 1 3 343.490 4.236 20 0 EIADHO CCOc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379643031 1046737343 /nfs/dbraw/zinc/73/73/43/1046737343.db2.gz ASJQLZYYGUZDMV-GHTZIAJQSA-N 1 3 338.495 4.228 20 0 EIADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379643031 1046737354 /nfs/dbraw/zinc/73/73/54/1046737354.db2.gz ASJQLZYYGUZDMV-GHTZIAJQSA-N 1 3 338.495 4.228 20 0 EIADHO C[C@H](NCc1cnc2ccccc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536856922 1046826178 /nfs/dbraw/zinc/82/61/78/1046826178.db2.gz JCFWHSQYHMXORR-KRWDZBQOSA-N 1 3 349.478 4.026 20 0 EIADHO C[NH+]1CCC(CN2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000788011355 1047079848 /nfs/dbraw/zinc/07/98/48/1047079848.db2.gz FXPWGXGAANVHQF-KRWDZBQOSA-N 1 3 327.299 4.472 20 0 EIADHO C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc[nH]c(=O)c1 ZINC000788582305 1047236726 /nfs/dbraw/zinc/23/67/26/1047236726.db2.gz GJFQWPYFIFWTKA-QGZVFWFLSA-N 1 3 339.483 4.014 20 0 EIADHO CC(C)[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](O)c1ccccc1 ZINC000788622277 1047251800 /nfs/dbraw/zinc/25/18/00/1047251800.db2.gz QPYNIWDAVGRGJV-FCHUYYIVSA-N 1 3 344.543 4.131 20 0 EIADHO CC(C)[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](O)c1ccccc1 ZINC000788622277 1047251788 /nfs/dbraw/zinc/25/17/88/1047251788.db2.gz QPYNIWDAVGRGJV-FCHUYYIVSA-N 1 3 344.543 4.131 20 0 EIADHO C[C@@H]1CC[C@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170119547 1047471390 /nfs/dbraw/zinc/47/13/90/1047471390.db2.gz YIKOLXUIUIBEGW-CJNGLKHVSA-N 1 3 326.406 4.144 20 0 EIADHO C[C@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170119551 1047471591 /nfs/dbraw/zinc/47/15/91/1047471591.db2.gz YIKOLXUIUIBEGW-XJKSGUPXSA-N 1 3 326.406 4.144 20 0 EIADHO C=Cc1ccccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528371 1047474297 /nfs/dbraw/zinc/47/42/97/1047474297.db2.gz NWBKAHGTOBVFSY-UHFFFAOYSA-N 1 3 345.490 4.239 20 0 EIADHO CCC[C@H](CC)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231271 1047597015 /nfs/dbraw/zinc/59/70/15/1047597015.db2.gz UNPJRFAEUQDCEA-RTWAWAEBSA-N 1 3 344.543 4.084 20 0 EIADHO COc1ccc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000130206993 1047651186 /nfs/dbraw/zinc/65/11/86/1047651186.db2.gz MFXHQXABAKSGDY-UHFFFAOYSA-N 1 3 330.516 4.015 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000537517096 1047665725 /nfs/dbraw/zinc/66/57/25/1047665725.db2.gz YIEATYIHOJMBGC-LJQANCHMSA-N 1 3 342.527 4.236 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000537517096 1047665734 /nfs/dbraw/zinc/66/57/34/1047665734.db2.gz YIEATYIHOJMBGC-LJQANCHMSA-N 1 3 342.527 4.236 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000763435101 1047805222 /nfs/dbraw/zinc/80/52/22/1047805222.db2.gz YZZGPKOSEOTUKB-GOEBONIOSA-N 1 3 333.347 4.157 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000763435101 1047805225 /nfs/dbraw/zinc/80/52/25/1047805225.db2.gz YZZGPKOSEOTUKB-GOEBONIOSA-N 1 3 333.347 4.157 20 0 EIADHO c1c[nH]c([C@H](NCCCCC[NH+]2CCCCC2)C2CCCCC2)n1 ZINC000556870424 1048087191 /nfs/dbraw/zinc/08/71/91/1048087191.db2.gz FBSGERWRDKELAA-LJQANCHMSA-N 1 3 332.536 4.277 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCn2ccc3cc(Cl)ccc32)CC1 ZINC000556911567 1048186738 /nfs/dbraw/zinc/18/67/38/1048186738.db2.gz LKIVKGUJFFYEAO-UHFFFAOYSA-N 1 3 333.907 4.147 20 0 EIADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC000499159621 1048369052 /nfs/dbraw/zinc/36/90/52/1048369052.db2.gz VTWZZCFEDRGFNC-WKCHPHFGSA-N 1 3 338.470 4.419 20 0 EIADHO CCc1cccc(C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)c1 ZINC001144322868 1048591222 /nfs/dbraw/zinc/59/12/22/1048591222.db2.gz GQFMGTKELPZYPW-UHFFFAOYSA-N 1 3 349.522 4.132 20 0 EIADHO [NH3+]CCCCCCN1CCC[C@@H]1c1ccc(Br)s1 ZINC000846223925 1048843439 /nfs/dbraw/zinc/84/34/39/1048843439.db2.gz QLNWOGBLEMYBTG-GFCCVEGCSA-N 1 3 331.323 4.167 20 0 EIADHO CC(C)c1ccc2c(c1)[C@H](NCc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817949209 1049063059 /nfs/dbraw/zinc/06/30/59/1049063059.db2.gz NWSWFDRRUYTKPC-OAQYLSRUSA-N 1 3 338.495 4.315 20 0 EIADHO CC(C)Oc1ccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cc1Cl ZINC000817949140 1049064790 /nfs/dbraw/zinc/06/47/90/1049064790.db2.gz OJIKWJMJRQHTKZ-OAHLLOKOSA-N 1 3 346.902 4.479 20 0 EIADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000817967845 1049072666 /nfs/dbraw/zinc/07/26/66/1049072666.db2.gz CSNFXXATLNUJKQ-XJKSGUPXSA-N 1 3 326.456 4.110 20 0 EIADHO N[C@@H](CCC[NH3+])Nc1ccccc1-n1c2ccccc2c2ccccc21 ZINC001170902438 1049158290 /nfs/dbraw/zinc/15/82/90/1049158290.db2.gz CCLXZRCPEYLIRM-JOCHJYFZSA-N 1 3 344.462 4.219 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001170678388 1049503639 /nfs/dbraw/zinc/50/36/39/1049503639.db2.gz YHOGXBZUTLPUAX-GOSISDBHSA-N 1 3 348.481 4.209 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001170678388 1049503660 /nfs/dbraw/zinc/50/36/60/1049503660.db2.gz YHOGXBZUTLPUAX-GOSISDBHSA-N 1 3 348.481 4.209 20 0 EIADHO Fc1cc(F)c2c(c1)C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001171353217 1049504983 /nfs/dbraw/zinc/50/49/83/1049504983.db2.gz FECBCHIXLRHQEL-LJQANCHMSA-N 1 3 348.481 4.066 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389392 1049600395 /nfs/dbraw/zinc/60/03/95/1049600395.db2.gz STKBZOJBHIFBSU-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389392 1049600399 /nfs/dbraw/zinc/60/03/99/1049600399.db2.gz STKBZOJBHIFBSU-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389391 1049600718 /nfs/dbraw/zinc/60/07/18/1049600718.db2.gz STKBZOJBHIFBSU-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389391 1049600720 /nfs/dbraw/zinc/60/07/20/1049600720.db2.gz STKBZOJBHIFBSU-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716629312 1049702115 /nfs/dbraw/zinc/70/21/15/1049702115.db2.gz YFYJBWDGYJSGDB-OKYOBFRVSA-N 1 3 334.454 4.207 20 0 EIADHO COc1ccccc1[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171628587 1049761692 /nfs/dbraw/zinc/76/16/92/1049761692.db2.gz BYCHIOWWIQFDHD-MRXNPFEDSA-N 1 3 330.516 4.136 20 0 EIADHO COc1ccccc1[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171628587 1049761700 /nfs/dbraw/zinc/76/17/00/1049761700.db2.gz BYCHIOWWIQFDHD-MRXNPFEDSA-N 1 3 330.516 4.136 20 0 EIADHO COc1ccc(CC2(C[NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171630112 1049762749 /nfs/dbraw/zinc/76/27/49/1049762749.db2.gz JNUGDKLIOQVMJE-UHFFFAOYSA-N 1 3 344.543 4.259 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(OCc3ccccc3)CC2)CC1(C)C ZINC001171636543 1049779934 /nfs/dbraw/zinc/77/99/34/1049779934.db2.gz HYBIKOWCCDILSE-UHFFFAOYSA-N 1 3 344.543 4.319 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005853 1049819563 /nfs/dbraw/zinc/81/95/63/1049819563.db2.gz RMTJOBAMWPCHOP-FHWLQOOXSA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005853 1049819564 /nfs/dbraw/zinc/81/95/64/1049819564.db2.gz RMTJOBAMWPCHOP-FHWLQOOXSA-N 1 3 330.491 4.022 20 0 EIADHO Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962619 1049825653 /nfs/dbraw/zinc/82/56/53/1049825653.db2.gz CGXCOJPUNHNCOU-UYAOXDASSA-N 1 3 337.511 4.484 20 0 EIADHO CN(CCc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074724 1049845113 /nfs/dbraw/zinc/84/51/13/1049845113.db2.gz LHVISXUEMLNOIP-NUNAXRQHSA-N 1 3 349.522 4.142 20 0 EIADHO CN(CCc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074724 1049845115 /nfs/dbraw/zinc/84/51/15/1049845115.db2.gz LHVISXUEMLNOIP-NUNAXRQHSA-N 1 3 349.522 4.142 20 0 EIADHO CC(C)(N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC001172077400 1049846065 /nfs/dbraw/zinc/84/60/65/1049846065.db2.gz QXQIDDDCSUOZRJ-DKUWSORSSA-N 1 3 349.522 4.492 20 0 EIADHO CC(C)(N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC001172077400 1049846066 /nfs/dbraw/zinc/84/60/66/1049846066.db2.gz QXQIDDDCSUOZRJ-DKUWSORSSA-N 1 3 349.522 4.492 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)c(Cl)c1)C2 ZINC001172105059 1049856405 /nfs/dbraw/zinc/85/64/05/1049856405.db2.gz FSXNUWOIJKQUEQ-BTTYYORXSA-N 1 3 346.824 4.464 20 0 EIADHO CC(C)(CN)C[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246253545 1049861294 /nfs/dbraw/zinc/86/12/94/1049861294.db2.gz ZNFPMIGYFTXPQT-UHFFFAOYSA-N 1 3 339.321 4.050 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171021620 1049864360 /nfs/dbraw/zinc/86/43/60/1049864360.db2.gz HDVXSWLBBHOISZ-QGZVFWFLSA-N 1 3 334.935 4.440 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](CC(C)C)c2cccc(F)c2)CC1 ZINC001172246848 1049872396 /nfs/dbraw/zinc/87/23/96/1049872396.db2.gz XBESEDUEWBCENS-HXUWFJFHSA-N 1 3 336.495 4.003 20 0 EIADHO CCC[NH+]1CCC(N[C@@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172876270 1050218133 /nfs/dbraw/zinc/21/81/33/1050218133.db2.gz YQFJMRCELPXJER-AWEZNQCLSA-N 1 3 326.937 4.285 20 0 EIADHO CN1CCc2ccc(Nc3ccc(C4CC[NH+](C)CC4)cc3)cc2C1 ZINC001212692531 1050232482 /nfs/dbraw/zinc/23/24/82/1050232482.db2.gz YQFQIEPIAHCOJK-UHFFFAOYSA-N 1 3 335.495 4.227 20 0 EIADHO Cc1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)ccc1Cl ZINC001177669166 1050274923 /nfs/dbraw/zinc/27/49/23/1050274923.db2.gz SAIKJPVKBMDQHD-FQEVSTJZSA-N 1 3 342.914 4.303 20 0 EIADHO CCCOC1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC001173093373 1050286269 /nfs/dbraw/zinc/28/62/69/1050286269.db2.gz FEFATBBSXKDGOO-UHFFFAOYSA-N 1 3 336.564 4.359 20 0 EIADHO CC[NH+](CC)C1CCC(N(C)Cc2nc3ccccc3s2)CC1 ZINC001173110161 1050308327 /nfs/dbraw/zinc/30/83/27/1050308327.db2.gz PTDWPLAWSQOJEF-UHFFFAOYSA-N 1 3 331.529 4.381 20 0 EIADHO CC[NH+](CC)C1CCC(N2CCO[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173114342 1050310911 /nfs/dbraw/zinc/31/09/11/1050310911.db2.gz HGZKEXMBNSFIHV-HRTMPFAESA-N 1 3 344.543 4.195 20 0 EIADHO CCCC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001173255840 1050381867 /nfs/dbraw/zinc/38/18/67/1050381867.db2.gz GVRKVCCOCLPPSD-NRFANRHFSA-N 1 3 331.548 4.488 20 0 EIADHO Cc1cc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C)c1-c1ccc(F)cc1 ZINC001206211319 1050529565 /nfs/dbraw/zinc/52/95/65/1050529565.db2.gz NJZHDJAOCWXFKH-WOJBJXKFSA-N 1 3 344.449 4.371 20 0 EIADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1Oc1ccccc1 ZINC001206209690 1050536535 /nfs/dbraw/zinc/53/65/35/1050536535.db2.gz IBHJEAWSWLQLRE-RBUKOAKNSA-N 1 3 328.431 4.049 20 0 EIADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1Oc1ccccc1 ZINC001206209690 1050536548 /nfs/dbraw/zinc/53/65/48/1050536548.db2.gz IBHJEAWSWLQLRE-RBUKOAKNSA-N 1 3 328.431 4.049 20 0 EIADHO CCCCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001178741492 1050538972 /nfs/dbraw/zinc/53/89/72/1050538972.db2.gz FLYMLJIXIXVYIV-IHWFROFDSA-N 1 3 330.516 4.361 20 0 EIADHO CN(Cc1cccc2[nH]ccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093337026 1050570010 /nfs/dbraw/zinc/57/00/10/1050570010.db2.gz LVBNOXXXJFINIM-IBGZPJMESA-N 1 3 333.479 4.122 20 0 EIADHO CN(Cc1cccc2[nH]ccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093337026 1050570016 /nfs/dbraw/zinc/57/00/16/1050570016.db2.gz LVBNOXXXJFINIM-IBGZPJMESA-N 1 3 333.479 4.122 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccccc2N(C)C)c1 ZINC000093944630 1050726244 /nfs/dbraw/zinc/72/62/44/1050726244.db2.gz FNJFWYRTBHWAKF-KRWDZBQOSA-N 1 3 325.500 4.055 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccccc2N(C)C)c1 ZINC000093944630 1050726261 /nfs/dbraw/zinc/72/62/61/1050726261.db2.gz FNJFWYRTBHWAKF-KRWDZBQOSA-N 1 3 325.500 4.055 20 0 EIADHO C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180809152 1051087889 /nfs/dbraw/zinc/08/78/89/1051087889.db2.gz BDMZYUYXTYLOER-OALUTQOASA-N 1 3 339.527 4.410 20 0 EIADHO CC(C)(C)[C@@]1(C[NH2+][C@@H]2CSC2(C)C)CCN(Cc2ccccc2)C1 ZINC001181204826 1051180759 /nfs/dbraw/zinc/18/07/59/1051180759.db2.gz IMBBSNPNWGJUDA-WIYYLYMNSA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@@]1(CN[C@@H]2CSC2(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181204826 1051180765 /nfs/dbraw/zinc/18/07/65/1051180765.db2.gz IMBBSNPNWGJUDA-WIYYLYMNSA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@@]1(CN[C@@H]2CSC2(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181204826 1051180770 /nfs/dbraw/zinc/18/07/70/1051180770.db2.gz IMBBSNPNWGJUDA-WIYYLYMNSA-N 1 3 346.584 4.408 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388776 1051187561 /nfs/dbraw/zinc/18/75/61/1051187561.db2.gz TVIZAXSSTPSNNB-GUYCJALGSA-N 1 3 340.483 4.310 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388776 1051187571 /nfs/dbraw/zinc/18/75/71/1051187571.db2.gz TVIZAXSSTPSNNB-GUYCJALGSA-N 1 3 340.483 4.310 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(SC(F)F)ccc32)CC[N@@H+]1C ZINC000775393143 1051199988 /nfs/dbraw/zinc/19/99/88/1051199988.db2.gz LNHQCZMULJIFDY-HACGYAERSA-N 1 3 340.483 4.451 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(SC(F)F)ccc32)CC[N@H+]1C ZINC000775393143 1051199998 /nfs/dbraw/zinc/19/99/98/1051199998.db2.gz LNHQCZMULJIFDY-HACGYAERSA-N 1 3 340.483 4.451 20 0 EIADHO COC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)C ZINC000775394332 1051208834 /nfs/dbraw/zinc/20/88/34/1051208834.db2.gz QJHFFJAVBCQKMM-FXAWDEMLSA-N 1 3 348.531 4.003 20 0 EIADHO COC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)C ZINC000775394336 1051209592 /nfs/dbraw/zinc/20/95/92/1051209592.db2.gz QJHFFJAVBCQKMM-YLJYHZDGSA-N 1 3 348.531 4.003 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+](C)C(C)C)CC2 ZINC000154854277 1051344901 /nfs/dbraw/zinc/34/49/01/1051344901.db2.gz YZIPBRPUWSOBNF-JOCHJYFZSA-N 1 3 338.495 4.313 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)CC2 ZINC000154854277 1051344912 /nfs/dbraw/zinc/34/49/12/1051344912.db2.gz YZIPBRPUWSOBNF-JOCHJYFZSA-N 1 3 338.495 4.313 20 0 EIADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000154873371 1051347361 /nfs/dbraw/zinc/34/73/61/1051347361.db2.gz UFPRYDRLQIXZSL-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO COc1ccc([C@@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000154873371 1051347371 /nfs/dbraw/zinc/34/73/71/1051347371.db2.gz UFPRYDRLQIXZSL-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO CCN1CCCC[C@H]1C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001182001605 1051368915 /nfs/dbraw/zinc/36/89/15/1051368915.db2.gz MGSGDZATHOBDRT-INIZCTEOSA-N 1 3 342.508 4.446 20 0 EIADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(C2CC2)c1 ZINC001182031934 1051377561 /nfs/dbraw/zinc/37/75/61/1051377561.db2.gz KORVJBCTRNFQRF-YTXWROIDSA-N 1 3 342.527 4.248 20 0 EIADHO c1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000155269280 1051399185 /nfs/dbraw/zinc/39/91/85/1051399185.db2.gz RHVSVJWHKBVIDY-IFMALSPDSA-N 1 3 342.527 4.293 20 0 EIADHO COC1CCC(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001182196752 1051423917 /nfs/dbraw/zinc/42/39/17/1051423917.db2.gz VYPCYJWRXXRGSQ-NJEKYYFSSA-N 1 3 344.543 4.084 20 0 EIADHO c1[nH]c2ccccc2c1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000156316424 1051518710 /nfs/dbraw/zinc/51/87/10/1051518710.db2.gz GKEPGGAJRXQSJA-UHFFFAOYSA-N 1 3 339.527 4.487 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc2cc(OC)ccc2c1 ZINC000163255770 1051558649 /nfs/dbraw/zinc/55/86/49/1051558649.db2.gz FLZBKIBHOAJHLJ-HRAATJIYSA-N 1 3 326.484 4.231 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158098861 1051708949 /nfs/dbraw/zinc/70/89/49/1051708949.db2.gz QPGLTDHJYHYLNR-RDJZCZTQSA-N 1 3 343.540 4.419 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158098861 1051708967 /nfs/dbraw/zinc/70/89/67/1051708967.db2.gz QPGLTDHJYHYLNR-RDJZCZTQSA-N 1 3 343.540 4.419 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158103227 1051710881 /nfs/dbraw/zinc/71/08/81/1051710881.db2.gz BFFSAQLGOJJYKT-UONOGXRCSA-N 1 3 328.472 4.036 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158103227 1051710898 /nfs/dbraw/zinc/71/08/98/1051710898.db2.gz BFFSAQLGOJJYKT-UONOGXRCSA-N 1 3 328.472 4.036 20 0 EIADHO CC[C@H](CSC)N(C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001192635004 1051784831 /nfs/dbraw/zinc/78/48/31/1051784831.db2.gz IEJPDYZHJJWUBU-OAQYLSRUSA-N 1 3 348.600 4.405 20 0 EIADHO CC[C@@H](CSC)N(C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001192634996 1051786047 /nfs/dbraw/zinc/78/60/47/1051786047.db2.gz IEJPDYZHJJWUBU-NRFANRHFSA-N 1 3 348.600 4.405 20 0 EIADHO CCCc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000621370605 1051842396 /nfs/dbraw/zinc/84/23/96/1051842396.db2.gz MZUSIOJFTIAOCB-UHFFFAOYSA-N 1 3 343.540 4.097 20 0 EIADHO C[C@]12CN(CC[C@@H]3CCCC3(F)F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001175974395 1051856532 /nfs/dbraw/zinc/85/65/32/1051856532.db2.gz UUXHMSUGLUUFPK-SLFFLAALSA-N 1 3 348.481 4.266 20 0 EIADHO C[C@]12CN(CC[C@@H]3CCCC3(F)F)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001175974395 1051856537 /nfs/dbraw/zinc/85/65/37/1051856537.db2.gz UUXHMSUGLUUFPK-SLFFLAALSA-N 1 3 348.481 4.266 20 0 EIADHO C[NH+](C)CC[C@H](N[C@@H]1CC[C@](C)(c2ccccc2)C1)c1cccnc1 ZINC001183919255 1051927254 /nfs/dbraw/zinc/92/72/54/1051927254.db2.gz HXVPKHKAUOOSPB-FSSWDIPSSA-N 1 3 337.511 4.174 20 0 EIADHO C[C@H]1C[C@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@@H+]1C ZINC000621765812 1051941111 /nfs/dbraw/zinc/94/11/11/1051941111.db2.gz FNJAWHFVKXRYNS-XJKSGUPXSA-N 1 3 326.406 4.157 20 0 EIADHO C[C@H]1C[C@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@H+]1C ZINC000621765812 1051941123 /nfs/dbraw/zinc/94/11/23/1051941123.db2.gz FNJAWHFVKXRYNS-XJKSGUPXSA-N 1 3 326.406 4.157 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCOC23CCCCC3)CC1 ZINC001184067499 1051942614 /nfs/dbraw/zinc/94/26/14/1051942614.db2.gz RRXJRILXVFAMII-HOJAQTOUSA-N 1 3 334.548 4.111 20 0 EIADHO CCOc1ccc(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001184143086 1051954644 /nfs/dbraw/zinc/95/46/44/1051954644.db2.gz NTWDKKNXMHLCIX-WIYYLYMNSA-N 1 3 344.543 4.261 20 0 EIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H](CCc3ccccc3)Cc3ccccc3)[C@@H]2C1 ZINC001184389482 1052002134 /nfs/dbraw/zinc/00/21/34/1052002134.db2.gz XKFWUXZHWNYIKD-KEZOAJOQSA-N 1 3 348.534 4.160 20 0 EIADHO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)C[N@H+](C)CC ZINC001193974315 1052035263 /nfs/dbraw/zinc/03/52/63/1052035263.db2.gz BOIUGEMZNICWEB-MOPGFXCFSA-N 1 3 340.939 4.062 20 0 EIADHO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)C[N@@H+](C)CC ZINC001193974315 1052035270 /nfs/dbraw/zinc/03/52/70/1052035270.db2.gz BOIUGEMZNICWEB-MOPGFXCFSA-N 1 3 340.939 4.062 20 0 EIADHO Cc1ccsc1[C@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165309714 1052058087 /nfs/dbraw/zinc/05/80/87/1052058087.db2.gz DLVLXDIJMLATDM-HKUYNNGSSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccsc1[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165309714 1052058099 /nfs/dbraw/zinc/05/80/99/1052058099.db2.gz DLVLXDIJMLATDM-HKUYNNGSSA-N 1 3 328.525 4.272 20 0 EIADHO C[N@@H+]1CCC[C@@]2(CCN(CCCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC001194641022 1052184220 /nfs/dbraw/zinc/18/42/20/1052184220.db2.gz LEEWUXXFUFXLRO-JOCHJYFZSA-N 1 3 344.543 4.171 20 0 EIADHO C[N@H+]1CCC[C@@]2(CCN(CCCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC001194641022 1052184224 /nfs/dbraw/zinc/18/42/24/1052184224.db2.gz LEEWUXXFUFXLRO-JOCHJYFZSA-N 1 3 344.543 4.171 20 0 EIADHO COCc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001177127481 1052227988 /nfs/dbraw/zinc/22/79/88/1052227988.db2.gz BOIWAESNLKPHRA-UHFFFAOYSA-N 1 3 338.495 4.109 20 0 EIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000171128248 1052396272 /nfs/dbraw/zinc/39/62/72/1052396272.db2.gz HANVSTFWQDTLHP-AWEZNQCLSA-N 1 3 347.300 4.362 20 0 EIADHO CC1CC[NH+](Cc2cccc(CNCc3cccc4n[nH]cc43)c2)CC1 ZINC000623403759 1052644936 /nfs/dbraw/zinc/64/49/36/1052644936.db2.gz GRSZVULTPJJWTK-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+](C)C(C)C)c1)CC2 ZINC000177977495 1052695715 /nfs/dbraw/zinc/69/57/15/1052695715.db2.gz ORMSKNVXGPHRJA-QFIPXVFZSA-N 1 3 338.495 4.313 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)CC2 ZINC000177977495 1052695717 /nfs/dbraw/zinc/69/57/17/1052695717.db2.gz ORMSKNVXGPHRJA-QFIPXVFZSA-N 1 3 338.495 4.313 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623656266 1052698612 /nfs/dbraw/zinc/69/86/12/1052698612.db2.gz QMZCRKWVRIJEII-LJQANCHMSA-N 1 3 338.495 4.184 20 0 EIADHO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(C)ccc1C ZINC000623921248 1052837915 /nfs/dbraw/zinc/83/79/15/1052837915.db2.gz PDKMPSGIHCIGDA-FDFHNCONSA-N 1 3 344.543 4.112 20 0 EIADHO Fc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000380910870 1053047571 /nfs/dbraw/zinc/04/75/71/1053047571.db2.gz LQOYBRAFXOJGPH-KRWDZBQOSA-N 1 3 332.850 4.091 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000850516957 1053278180 /nfs/dbraw/zinc/27/81/80/1053278180.db2.gz LUEMHWCWZDFXDE-NRFANRHFSA-N 1 3 329.532 4.242 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)ccc1OC ZINC000850570786 1053324028 /nfs/dbraw/zinc/32/40/28/1053324028.db2.gz IWTBLYHAACMWCY-LPHOPBHVSA-N 1 3 348.531 4.003 20 0 EIADHO Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383507517 1053346442 /nfs/dbraw/zinc/34/64/42/1053346442.db2.gz KMZPZKCAKOAWAU-IEBWSBKVSA-N 1 3 326.459 4.134 20 0 EIADHO Fc1cccc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)cnc12 ZINC000865405515 1053491559 /nfs/dbraw/zinc/49/15/59/1053491559.db2.gz KUCQLULZUDAVRT-UHFFFAOYSA-N 1 3 349.453 4.260 20 0 EIADHO COc1ccc2c(NC[C@H](c3ccsc3)N(C)C)cc[nH+]c2c1 ZINC000765465277 1053560200 /nfs/dbraw/zinc/56/02/00/1053560200.db2.gz QNHJGMBWWQDTLD-GOSISDBHSA-N 1 3 327.453 4.020 20 0 EIADHO CC(C)[C@@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1ccccn1 ZINC000866247032 1053662178 /nfs/dbraw/zinc/66/21/78/1053662178.db2.gz QHTYVMMTLAXZDL-OAQYLSRUSA-N 1 3 325.500 4.409 20 0 EIADHO CC(C)[C@@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccn1 ZINC000866247032 1053662181 /nfs/dbraw/zinc/66/21/81/1053662181.db2.gz QHTYVMMTLAXZDL-OAQYLSRUSA-N 1 3 325.500 4.409 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441172 1053728252 /nfs/dbraw/zinc/72/82/52/1053728252.db2.gz PULPQTXNCZANRX-UGKGYDQZSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441172 1053728268 /nfs/dbraw/zinc/72/82/68/1053728268.db2.gz PULPQTXNCZANRX-UGKGYDQZSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856604483 1054091877 /nfs/dbraw/zinc/09/18/77/1054091877.db2.gz NZYAQMLBJOIJSM-FQEVSTJZSA-N 1 3 347.547 4.201 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856604483 1054091890 /nfs/dbraw/zinc/09/18/90/1054091890.db2.gz NZYAQMLBJOIJSM-FQEVSTJZSA-N 1 3 347.547 4.201 20 0 EIADHO [NH3+][C@@H](C[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1)C1CCCC1 ZINC000873232528 1054511050 /nfs/dbraw/zinc/51/10/50/1054511050.db2.gz SDZZWXWQRPDLKB-KSSFIOAISA-N 1 3 333.545 4.140 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173387735 1054557538 /nfs/dbraw/zinc/55/75/38/1054557538.db2.gz CIUHDTVTKQXEAV-INIZCTEOSA-N 1 3 342.483 4.006 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173387735 1054557553 /nfs/dbraw/zinc/55/75/53/1054557553.db2.gz CIUHDTVTKQXEAV-INIZCTEOSA-N 1 3 342.483 4.006 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc1CN1CCCCC1 ZINC000777147987 1054851390 /nfs/dbraw/zinc/85/13/90/1054851390.db2.gz BYSLJYASCLODGS-MRXNPFEDSA-N 1 3 328.500 4.274 20 0 EIADHO Cc1c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242768 1055035583 /nfs/dbraw/zinc/03/55/83/1055035583.db2.gz QIQGWKGLTQQKKL-JXFKEZNVSA-N 1 3 341.474 4.014 20 0 EIADHO Cc1c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242768 1055035600 /nfs/dbraw/zinc/03/56/00/1055035600.db2.gz QIQGWKGLTQQKKL-JXFKEZNVSA-N 1 3 341.474 4.014 20 0 EIADHO COc1ccc(CC[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000119148309 1055121958 /nfs/dbraw/zinc/12/19/58/1055121958.db2.gz DKXSCJPQAQVQKD-KRWDZBQOSA-N 1 3 330.516 4.013 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)C2 ZINC001169091390 1060645128 /nfs/dbraw/zinc/64/51/28/1060645128.db2.gz QBYJQMRCNWLOOS-BTTYYORXSA-N 1 3 330.419 4.013 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Br)s1 ZINC000038003493 202080883 /nfs/dbraw/zinc/08/08/83/202080883.db2.gz QZHJLTCTJVYFRI-NSHDSACASA-N 1 3 345.350 4.424 20 0 EIADHO CC(C)(C)C[N@H+](Cc1ccccc1C(F)(F)F)C1CCNCC1 ZINC000036093128 202315028 /nfs/dbraw/zinc/31/50/28/202315028.db2.gz NYTKHXFTKWNXNT-UHFFFAOYSA-N 1 3 328.422 4.306 20 0 EIADHO CC(C)(C)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCNCC1 ZINC000036093128 202315032 /nfs/dbraw/zinc/31/50/32/202315032.db2.gz NYTKHXFTKWNXNT-UHFFFAOYSA-N 1 3 328.422 4.306 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)C1 ZINC000657840430 1029747227 /nfs/dbraw/zinc/74/72/27/1029747227.db2.gz GHSFFXIHYYXJAN-VXGBXAGGSA-N 1 3 345.712 4.095 20 0 EIADHO CCc1nocc1CNCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000339322173 1018786426 /nfs/dbraw/zinc/78/64/26/1018786426.db2.gz VPUHLJTVARRUBP-UHFFFAOYSA-N 1 3 341.499 4.019 20 0 EIADHO Cc1csc([C@H](C)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274735589 1019085319 /nfs/dbraw/zinc/08/53/19/1019085319.db2.gz DAOHAAWPIFJESE-HHXXYDBFSA-N 1 3 343.540 4.055 20 0 EIADHO C[NH+](C)CCOc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000069878610 1019710231 /nfs/dbraw/zinc/71/02/31/1019710231.db2.gz SAQPEVPIYKGUTJ-UHFFFAOYSA-N 1 3 344.886 4.059 20 0 EIADHO CCCCN1CCC([NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000510208063 1020455460 /nfs/dbraw/zinc/45/54/60/1020455460.db2.gz FPSIQKJMNYBANT-SDXDJHTJSA-N 1 3 330.516 4.090 20 0 EIADHO CCCCN1CCC([NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000510208062 1020456293 /nfs/dbraw/zinc/45/62/93/1020456293.db2.gz FPSIQKJMNYBANT-OBGWFSINSA-N 1 3 330.516 4.090 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1nc(Br)cs1 ZINC000834487864 1021671064 /nfs/dbraw/zinc/67/10/64/1021671064.db2.gz PFHGUCBPLUQSGE-VXGBXAGGSA-N 1 3 348.354 4.067 20 0 EIADHO C[C@@H](NCc1ccc(OC(F)F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924566496 1021748463 /nfs/dbraw/zinc/74/84/63/1021748463.db2.gz DQYNFDKPJZUVGP-CQSZACIVSA-N 1 3 334.410 4.200 20 0 EIADHO c1c2ccccc2[nH]c1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000683926953 1021990697 /nfs/dbraw/zinc/99/06/97/1021990697.db2.gz CDYQQPJLVGTYRF-UHFFFAOYSA-N 1 3 333.479 4.444 20 0 EIADHO C[N@@H+]1CCC[C@H](CNCc2cc3ccccc3[nH]2)[C@H]1c1cccs1 ZINC000683930269 1021999321 /nfs/dbraw/zinc/99/93/21/1021999321.db2.gz YITXFXZDCDRIGH-UZLBHIALSA-N 1 3 339.508 4.402 20 0 EIADHO C[N@H+]1CCC[C@H](CNCc2cc3ccccc3[nH]2)[C@H]1c1cccs1 ZINC000683930269 1021999330 /nfs/dbraw/zinc/99/93/30/1021999330.db2.gz YITXFXZDCDRIGH-UZLBHIALSA-N 1 3 339.508 4.402 20 0 EIADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000069645310 1022144770 /nfs/dbraw/zinc/14/47/70/1022144770.db2.gz OMCZAZSLZKXWRW-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO CCCC[N@H+](C)CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000613491618 1022166337 /nfs/dbraw/zinc/16/63/37/1022166337.db2.gz ZIZFPWGOFJJAKM-UHFFFAOYSA-N 1 3 338.923 4.163 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000613491618 1022166341 /nfs/dbraw/zinc/16/63/41/1022166341.db2.gz ZIZFPWGOFJJAKM-UHFFFAOYSA-N 1 3 338.923 4.163 20 0 EIADHO C[C@@]1(CNCc2cccc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310940638 1022680896 /nfs/dbraw/zinc/68/08/96/1022680896.db2.gz WAPMIJIMYZVXIW-QFIPXVFZSA-N 1 3 333.479 4.170 20 0 EIADHO C[C@@]1(CNCc2cccc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310940638 1022680906 /nfs/dbraw/zinc/68/09/06/1022680906.db2.gz WAPMIJIMYZVXIW-QFIPXVFZSA-N 1 3 333.479 4.170 20 0 EIADHO Cc1cc(F)ccc1-c1ccc(CN2CCCC23CC[NH+](C)CC3)o1 ZINC000472594124 1022706610 /nfs/dbraw/zinc/70/66/10/1022706610.db2.gz AIKGOAWZKIJCBQ-UHFFFAOYSA-N 1 3 342.458 4.454 20 0 EIADHO Cc1cc(F)ccc1-c1ccc(C[N@H+]2CCCC23CCN(C)CC3)o1 ZINC000472594124 1022706628 /nfs/dbraw/zinc/70/66/28/1022706628.db2.gz AIKGOAWZKIJCBQ-UHFFFAOYSA-N 1 3 342.458 4.454 20 0 EIADHO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)o1 ZINC000472594124 1022706643 /nfs/dbraw/zinc/70/66/43/1022706643.db2.gz AIKGOAWZKIJCBQ-UHFFFAOYSA-N 1 3 342.458 4.454 20 0 EIADHO c1nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000647542748 1022780128 /nfs/dbraw/zinc/78/01/28/1022780128.db2.gz BJFDCXQURDSEQC-ZWKOTPCHSA-N 1 3 341.524 4.022 20 0 EIADHO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311058167 1022818973 /nfs/dbraw/zinc/81/89/73/1022818973.db2.gz WIHIIKPSQURYFO-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311058173 1022819252 /nfs/dbraw/zinc/81/92/52/1022819252.db2.gz WIHIIKPSQURYFO-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000545461205 1022869801 /nfs/dbraw/zinc/86/98/01/1022869801.db2.gz SEMYOSDJWXHMQS-XPGWFJOJSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000545461205 1022869809 /nfs/dbraw/zinc/86/98/09/1022869809.db2.gz SEMYOSDJWXHMQS-XPGWFJOJSA-N 1 3 343.902 4.091 20 0 EIADHO Brc1ccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000415090354 1023435830 /nfs/dbraw/zinc/43/58/30/1023435830.db2.gz ZBMXOSARXIWCHD-SJORKVTESA-N 1 3 337.305 4.022 20 0 EIADHO COc1ccc([C@H](NCC2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415095226 1023441051 /nfs/dbraw/zinc/44/10/51/1023441051.db2.gz YYTZWIRAPHQSKL-FQEVSTJZSA-N 1 3 344.886 4.027 20 0 EIADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125069 1023513845 /nfs/dbraw/zinc/51/38/45/1023513845.db2.gz OZSFSCZNMILEBA-JKSUJKDBSA-N 1 3 342.449 4.473 20 0 EIADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125069 1023513852 /nfs/dbraw/zinc/51/38/52/1023513852.db2.gz OZSFSCZNMILEBA-JKSUJKDBSA-N 1 3 342.449 4.473 20 0 EIADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125066 1023514241 /nfs/dbraw/zinc/51/42/41/1023514241.db2.gz OZSFSCZNMILEBA-CVEARBPZSA-N 1 3 342.449 4.473 20 0 EIADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125066 1023514250 /nfs/dbraw/zinc/51/42/50/1023514250.db2.gz OZSFSCZNMILEBA-CVEARBPZSA-N 1 3 342.449 4.473 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000394556598 1023607058 /nfs/dbraw/zinc/60/70/58/1023607058.db2.gz IXSPKLHYOKXVBD-YTQUADARSA-N 1 3 336.470 4.312 20 0 EIADHO [NH3+]Cc1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000581825087 1023736813 /nfs/dbraw/zinc/73/68/13/1023736813.db2.gz YMWDTJHKOYBDHW-NRFANRHFSA-N 1 3 336.479 4.028 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891611094 1023822078 /nfs/dbraw/zinc/82/20/78/1023822078.db2.gz GBKCUWLSMZAWEW-UHFFFAOYSA-N 1 3 334.552 4.025 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891611094 1023822082 /nfs/dbraw/zinc/82/20/82/1023822082.db2.gz GBKCUWLSMZAWEW-UHFFFAOYSA-N 1 3 334.552 4.025 20 0 EIADHO C[C@@H](c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661343 1024004328 /nfs/dbraw/zinc/00/43/28/1024004328.db2.gz CHIBTHAKEVSHST-YJBOKZPZSA-N 1 3 340.433 4.270 20 0 EIADHO C[C@@H](c1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661343 1024004341 /nfs/dbraw/zinc/00/43/41/1024004341.db2.gz CHIBTHAKEVSHST-YJBOKZPZSA-N 1 3 340.433 4.270 20 0 EIADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295627 1025045831 /nfs/dbraw/zinc/04/58/31/1025045831.db2.gz VYYDMTBTTWHOLV-APWZRJJASA-N 1 3 339.483 4.114 20 0 EIADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000342084237 1025153832 /nfs/dbraw/zinc/15/38/32/1025153832.db2.gz BBUNNMOLOJFGFL-INIZCTEOSA-N 1 3 338.923 4.224 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466120 1025390693 /nfs/dbraw/zinc/39/06/93/1025390693.db2.gz OGPKONRAAXYPMH-DYESRHJHSA-N 1 3 337.511 4.257 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466120 1025390709 /nfs/dbraw/zinc/39/07/09/1025390709.db2.gz OGPKONRAAXYPMH-DYESRHJHSA-N 1 3 337.511 4.257 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000156750937 1025600950 /nfs/dbraw/zinc/60/09/50/1025600950.db2.gz KONLRZOCZDDPFA-SJORKVTESA-N 1 3 330.516 4.184 20 0 EIADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cs1 ZINC000390838346 1025616291 /nfs/dbraw/zinc/61/62/91/1025616291.db2.gz AWZUNWJQGIBPAJ-IHWFROFDSA-N 1 3 326.509 4.342 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(COC)cs1 ZINC000657296229 1025745931 /nfs/dbraw/zinc/74/59/31/1025745931.db2.gz DBPIKKYYZHNATK-UHFFFAOYSA-N 1 3 332.513 4.026 20 0 EIADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1cccc(Cl)c1Cl ZINC001167509505 1025814612 /nfs/dbraw/zinc/81/46/12/1025814612.db2.gz OHWLKPOWKDPJSF-HNNXBMFYSA-N 1 3 329.315 4.342 20 0 EIADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1cccc(Cl)c1Cl ZINC001167509505 1025814617 /nfs/dbraw/zinc/81/46/17/1025814617.db2.gz OHWLKPOWKDPJSF-HNNXBMFYSA-N 1 3 329.315 4.342 20 0 EIADHO C[C@@H](CCC[NH3+])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000415023766 1025857572 /nfs/dbraw/zinc/85/75/72/1025857572.db2.gz NOZXJOJVTFVAAG-NSHDSACASA-N 1 3 343.418 4.046 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412828 1025881185 /nfs/dbraw/zinc/88/11/85/1025881185.db2.gz DFSVODUAQGEHCK-ZIAGYGMSSA-N 1 3 345.314 4.145 20 0 EIADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Oc2cccnc2)cc1 ZINC000344090901 1025999782 /nfs/dbraw/zinc/99/97/82/1025999782.db2.gz JPIJOTDWBMGIDZ-WMZOPIPTSA-N 1 3 325.456 4.009 20 0 EIADHO c1ccc([C@@H](CC2CCC2)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000344110849 1026027069 /nfs/dbraw/zinc/02/70/69/1026027069.db2.gz GPPYDVCROJGZNW-SIKLNZKXSA-N 1 3 342.527 4.008 20 0 EIADHO Clc1ccc([C@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167982176 1026388013 /nfs/dbraw/zinc/38/80/13/1026388013.db2.gz ZLDWSDAWESBIHG-NOSIKRSBSA-N 1 3 330.903 4.191 20 0 EIADHO Clc1ccc([C@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167982176 1026388026 /nfs/dbraw/zinc/38/80/26/1026388026.db2.gz ZLDWSDAWESBIHG-NOSIKRSBSA-N 1 3 330.903 4.191 20 0 EIADHO Fc1cc(-c2ccncc2)ccc1CNCCCCC[NH+]1CCCC1 ZINC000550266709 1026448448 /nfs/dbraw/zinc/44/84/48/1026448448.db2.gz ZWLBXXGQRPKPGJ-UHFFFAOYSA-N 1 3 341.474 4.243 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000582328345 1026454629 /nfs/dbraw/zinc/45/46/29/1026454629.db2.gz VBLBLQNFEDQMQK-WBVHZDCISA-N 1 3 342.449 4.346 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cccc(OC)c2OC(C)C)CC1 ZINC000506885000 1026486918 /nfs/dbraw/zinc/48/69/18/1026486918.db2.gz NYHAXDWCUHYKLM-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000506926679 1026526039 /nfs/dbraw/zinc/52/60/39/1026526039.db2.gz FORHPZRJVVHJLH-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO CCOc1ccc([C@H](CC)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000152466672 1026586380 /nfs/dbraw/zinc/58/63/80/1026586380.db2.gz ULVCCFQPFKQDSA-LPHOPBHVSA-N 1 3 346.515 4.009 20 0 EIADHO CCOc1ccc([C@H](CC)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152466672 1026586387 /nfs/dbraw/zinc/58/63/87/1026586387.db2.gz ULVCCFQPFKQDSA-LPHOPBHVSA-N 1 3 346.515 4.009 20 0 EIADHO CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000507447446 1026796553 /nfs/dbraw/zinc/79/65/53/1026796553.db2.gz HUIWZBCSJJATQT-LQWHRVPQSA-N 1 3 337.511 4.205 20 0 EIADHO C1=CC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)c2ccccc21 ZINC001167987102 1026888339 /nfs/dbraw/zinc/88/83/39/1026888339.db2.gz KJUMRRYZORPKAN-CBQGHPETSA-N 1 3 348.534 4.452 20 0 EIADHO Cc1cc(Cl)cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612588 1027284743 /nfs/dbraw/zinc/28/47/43/1027284743.db2.gz ANUBAIOSCCKUBH-UHFFFAOYSA-N 1 3 343.902 4.045 20 0 EIADHO c1cc(CN2CCC(C[NH2+]C3CCC4(CCCC4)CC3)CC2)ccn1 ZINC000657613475 1027290848 /nfs/dbraw/zinc/29/08/48/1027290848.db2.gz KXKUSXDCDIRJIQ-UHFFFAOYSA-N 1 3 341.543 4.386 20 0 EIADHO C[C@@H]1CC(N2CCc3ccccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039976 1027352541 /nfs/dbraw/zinc/35/25/41/1027352541.db2.gz JEZKLHMOMIMYEP-RTBURBONSA-N 1 3 334.507 4.486 20 0 EIADHO Cc1ccc(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000520247408 1027360181 /nfs/dbraw/zinc/36/01/81/1027360181.db2.gz IQISBLSTNYDFLY-UHFFFAOYSA-N 1 3 340.511 4.413 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474712998 1027430217 /nfs/dbraw/zinc/43/02/17/1027430217.db2.gz KXFVSXHUMYSUHK-JYJNAYRXSA-N 1 3 343.540 4.395 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000474712998 1027430223 /nfs/dbraw/zinc/43/02/23/1027430223.db2.gz KXFVSXHUMYSUHK-JYJNAYRXSA-N 1 3 343.540 4.395 20 0 EIADHO Cc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000441418640 1027535542 /nfs/dbraw/zinc/53/55/42/1027535542.db2.gz VJCLNCPTNWRQEA-DENIHFKCSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000441418640 1027535549 /nfs/dbraw/zinc/53/55/49/1027535549.db2.gz VJCLNCPTNWRQEA-DENIHFKCSA-N 1 3 342.527 4.021 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474814766 1027537355 /nfs/dbraw/zinc/53/73/55/1027537355.db2.gz DPGHMMAIHRQAML-VYDRJRHOSA-N 1 3 326.937 4.356 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2oc(C(C)C)nc2C)CC1)CC1CC1 ZINC000428311493 1028044375 /nfs/dbraw/zinc/04/43/75/1028044375.db2.gz RAXAUFXBTOLBGI-UHFFFAOYSA-N 1 3 347.547 4.440 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2oc(C(C)C)nc2C)CC1)CC1CC1 ZINC000428311493 1028044391 /nfs/dbraw/zinc/04/43/91/1028044391.db2.gz RAXAUFXBTOLBGI-UHFFFAOYSA-N 1 3 347.547 4.440 20 0 EIADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)ccc1SC ZINC000125918318 1028496637 /nfs/dbraw/zinc/49/66/37/1028496637.db2.gz DHNDXJXUWVLVFG-HOTGVXAUSA-N 1 3 336.545 4.188 20 0 EIADHO CC[C@H](OCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000650710180 1028846672 /nfs/dbraw/zinc/84/66/72/1028846672.db2.gz HEGUBBJSXMEPQP-BDTNDASRSA-N 1 3 338.495 4.237 20 0 EIADHO COCCC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)cc1 ZINC000281929862 1028973886 /nfs/dbraw/zinc/97/38/86/1028973886.db2.gz KICPIFRHHMOXSH-HXUWFJFHSA-N 1 3 336.495 4.003 20 0 EIADHO CCCCOc1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650756034 1029182224 /nfs/dbraw/zinc/18/22/24/1029182224.db2.gz SAMNUBKMCIJHIY-KRWDZBQOSA-N 1 3 326.484 4.436 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000192682784 1029361637 /nfs/dbraw/zinc/36/16/37/1029361637.db2.gz UEBSSHDGUJJDTJ-HXUWFJFHSA-N 1 3 342.483 4.167 20 0 EIADHO C[N@@H+]1CC[C@H](CNC/C=C/c2ccc(F)c(F)c2)[C@H]1c1cccs1 ZINC000375752047 1029859979 /nfs/dbraw/zinc/85/99/79/1029859979.db2.gz YWUBBPJFJMGRDR-WYLRSBHASA-N 1 3 348.462 4.322 20 0 EIADHO C[N@H+]1CC[C@H](CNC/C=C/c2ccc(F)c(F)c2)[C@H]1c1cccs1 ZINC000375752047 1029859981 /nfs/dbraw/zinc/85/99/81/1029859981.db2.gz YWUBBPJFJMGRDR-WYLRSBHASA-N 1 3 348.462 4.322 20 0 EIADHO CC(C)[C@H](NCc1ccccc1C[N@H+](C)C(C)C)c1cccnc1 ZINC000091285232 1029882279 /nfs/dbraw/zinc/88/22/79/1029882279.db2.gz SDUTVYCMARHVRD-NRFANRHFSA-N 1 3 325.500 4.409 20 0 EIADHO CC(C)[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1cccnc1 ZINC000091285232 1029882281 /nfs/dbraw/zinc/88/22/81/1029882281.db2.gz SDUTVYCMARHVRD-NRFANRHFSA-N 1 3 325.500 4.409 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cc2cnccc2o1 ZINC000657867189 1029949684 /nfs/dbraw/zinc/94/96/84/1029949684.db2.gz KJUJATXCGMCYMJ-HKUYNNGSSA-N 1 3 349.478 4.043 20 0 EIADHO Cc1sccc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390640579 1030013913 /nfs/dbraw/zinc/01/39/13/1030013913.db2.gz HAZKXHXZTYYOHF-IBGZPJMESA-N 1 3 328.525 4.447 20 0 EIADHO Cc1sccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390640579 1030013931 /nfs/dbraw/zinc/01/39/31/1030013931.db2.gz HAZKXHXZTYYOHF-IBGZPJMESA-N 1 3 328.525 4.447 20 0 EIADHO Cc1ccc(C)c([C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2)c1 ZINC000392266644 1030080544 /nfs/dbraw/zinc/08/05/44/1030080544.db2.gz OQQNUZCYDRYQMX-CVDCTZTESA-N 1 3 334.507 4.467 20 0 EIADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000530217932 1030224068 /nfs/dbraw/zinc/22/40/68/1030224068.db2.gz CUYJBJOIXGCIRF-MISYRCLQSA-N 1 3 326.871 4.410 20 0 EIADHO COc1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C ZINC000447813058 1030353070 /nfs/dbraw/zinc/35/30/70/1030353070.db2.gz PTOCSLBXQFWEJH-SFHVURJKSA-N 1 3 344.524 4.067 20 0 EIADHO COc1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1C ZINC000447813058 1030353087 /nfs/dbraw/zinc/35/30/87/1030353087.db2.gz PTOCSLBXQFWEJH-SFHVURJKSA-N 1 3 344.524 4.067 20 0 EIADHO C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc3cnccc3c2)CC1 ZINC000685467464 1030355255 /nfs/dbraw/zinc/35/52/55/1030355255.db2.gz QVMICFXLKDVQHP-UHFFFAOYSA-N 1 3 345.490 4.331 20 0 EIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(F)c(F)c3)CC2)C1 ZINC000527291164 1030614869 /nfs/dbraw/zinc/61/48/69/1030614869.db2.gz RAZJNCDDQSBPLZ-QAPCUYQASA-N 1 3 336.470 4.140 20 0 EIADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000685645166 1030615528 /nfs/dbraw/zinc/61/55/28/1030615528.db2.gz KLIOHYXLUTZTLB-QFBILLFUSA-N 1 3 338.923 4.129 20 0 EIADHO COC[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000685645166 1030615545 /nfs/dbraw/zinc/61/55/45/1030615545.db2.gz KLIOHYXLUTZTLB-QFBILLFUSA-N 1 3 338.923 4.129 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133007 1030714370 /nfs/dbraw/zinc/71/43/70/1030714370.db2.gz KDLIBUYHNUNNGB-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133007 1030714387 /nfs/dbraw/zinc/71/43/87/1030714387.db2.gz KDLIBUYHNUNNGB-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO Cc1cc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)ccn1 ZINC000527638279 1030791962 /nfs/dbraw/zinc/79/19/62/1030791962.db2.gz HPKSYNPBRWFNDO-QZTJIDSGSA-N 1 3 337.511 4.158 20 0 EIADHO CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCC1 ZINC000658162146 1030858906 /nfs/dbraw/zinc/85/89/06/1030858906.db2.gz BWRHQNJPJMOYJB-NRFANRHFSA-N 1 3 329.532 4.242 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1csc(Cl)c1 ZINC000658163727 1030861383 /nfs/dbraw/zinc/86/13/83/1030861383.db2.gz AJGNYBJPBNBYFW-CQSZACIVSA-N 1 3 349.931 4.359 20 0 EIADHO Cc1ccsc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164785 1030861434 /nfs/dbraw/zinc/86/14/34/1030861434.db2.gz FLTIBAHKVITGRB-INIZCTEOSA-N 1 3 329.513 4.014 20 0 EIADHO c1ccc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658166178 1030864926 /nfs/dbraw/zinc/86/49/26/1030864926.db2.gz MXIKIOUEBWXYDM-QFIPXVFZSA-N 1 3 335.495 4.035 20 0 EIADHO C[C@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1ncccc1F ZINC000528036453 1031051718 /nfs/dbraw/zinc/05/17/18/1031051718.db2.gz SQQIVYJXZWLHGS-IVMQYODDSA-N 1 3 341.474 4.315 20 0 EIADHO C[C@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ncccc1F ZINC000528036453 1031051740 /nfs/dbraw/zinc/05/17/40/1031051740.db2.gz SQQIVYJXZWLHGS-IVMQYODDSA-N 1 3 341.474 4.315 20 0 EIADHO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000532469185 1031144950 /nfs/dbraw/zinc/14/49/50/1031144950.db2.gz MPCNBZGDBIKGNO-NQIIRXRSSA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000532469185 1031144973 /nfs/dbraw/zinc/14/49/73/1031144973.db2.gz MPCNBZGDBIKGNO-NQIIRXRSSA-N 1 3 338.495 4.004 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC(C)(C)c3ccccc32)[C@@H](C)C1 ZINC000531711563 1031496235 /nfs/dbraw/zinc/49/62/35/1031496235.db2.gz GQIVYFQYNOQXFI-YYWHXJBOSA-N 1 3 344.543 4.136 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CC(C)(C)c3ccccc32)[C@@H](C)C1 ZINC000531711563 1031496243 /nfs/dbraw/zinc/49/62/43/1031496243.db2.gz GQIVYFQYNOQXFI-YYWHXJBOSA-N 1 3 344.543 4.136 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2Oc2cccnc2)C[C@@H]1C ZINC000531140009 1031582616 /nfs/dbraw/zinc/58/26/16/1031582616.db2.gz SFKMHDRSDYQSHV-PKOBYXMFSA-N 1 3 339.483 4.179 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2Oc2cccnc2)C[C@@H]1C ZINC000531140009 1031582631 /nfs/dbraw/zinc/58/26/31/1031582631.db2.gz SFKMHDRSDYQSHV-PKOBYXMFSA-N 1 3 339.483 4.179 20 0 EIADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2sccc21 ZINC000453162598 1031665479 /nfs/dbraw/zinc/66/54/79/1031665479.db2.gz PBWLPFYIQKBPFZ-ZWQIFLOQSA-N 1 3 348.556 4.044 20 0 EIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000127342423 1031687395 /nfs/dbraw/zinc/68/73/95/1031687395.db2.gz MATZZTSUOAOGQV-MISYRCLQSA-N 1 3 334.548 4.111 20 0 EIADHO CC1(C)CN(Cc2ccncc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449417513 1031701386 /nfs/dbraw/zinc/70/13/86/1031701386.db2.gz YOTGVOHOVWQSCD-QFIPXVFZSA-N 1 3 349.522 4.204 20 0 EIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453384693 1031894660 /nfs/dbraw/zinc/89/46/60/1031894660.db2.gz TYKQGDOUNFDYDD-OAQYLSRUSA-N 1 3 336.564 4.168 20 0 EIADHO CCO[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000193431196 1032048489 /nfs/dbraw/zinc/04/84/89/1032048489.db2.gz XVTXMSDUAFMTTL-JOCHJYFZSA-N 1 3 338.495 4.018 20 0 EIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4CCSCC4)[C@H]3C2)cc1 ZINC000512612347 1033492740 /nfs/dbraw/zinc/49/27/40/1033492740.db2.gz OMBCFARABUWQKZ-PCCBWWKXSA-N 1 3 344.568 4.020 20 0 EIADHO Clc1cccc(N2CCCC2)c1CNCCCCC[NH+]1CCCC1 ZINC000549868137 1033646080 /nfs/dbraw/zinc/64/60/80/1033646080.db2.gz OPEQQYQKHRSZAK-UHFFFAOYSA-N 1 3 349.950 4.296 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894242023 1035308004 /nfs/dbraw/zinc/30/80/04/1035308004.db2.gz QSHBQICFSUEPQO-ZDUSSCGKSA-N 1 3 337.920 4.160 20 0 EIADHO Cc1cccc([C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C(C)(C)C)c1 ZINC000500988449 1035338688 /nfs/dbraw/zinc/33/86/88/1035338688.db2.gz CPIRTZQSEPCGDH-NRFANRHFSA-N 1 3 345.575 4.088 20 0 EIADHO CC[NH+]1CCC(NC/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501413787 1035438205 /nfs/dbraw/zinc/43/82/05/1035438205.db2.gz QLJMOQMUEKOIHP-OWBHPGMISA-N 1 3 326.406 4.183 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000501798571 1035610899 /nfs/dbraw/zinc/61/08/99/1035610899.db2.gz ZQGSRWTWHFAGLL-UHFFFAOYSA-N 1 3 345.918 4.442 20 0 EIADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH]1 ZINC000575202752 1035720758 /nfs/dbraw/zinc/72/07/58/1035720758.db2.gz AQWWFFCBOLAPDP-HTAPYJJXSA-N 1 3 347.506 4.477 20 0 EIADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH]1 ZINC000575202752 1035720777 /nfs/dbraw/zinc/72/07/77/1035720777.db2.gz AQWWFFCBOLAPDP-HTAPYJJXSA-N 1 3 347.506 4.477 20 0 EIADHO C[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951054 1035753831 /nfs/dbraw/zinc/75/38/31/1035753831.db2.gz OBQYKHKYSRXORP-WMLDXEAASA-N 1 3 328.422 4.225 20 0 EIADHO C[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951054 1035753856 /nfs/dbraw/zinc/75/38/56/1035753856.db2.gz OBQYKHKYSRXORP-WMLDXEAASA-N 1 3 328.422 4.225 20 0 EIADHO C[C@@H](CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951054 1035753879 /nfs/dbraw/zinc/75/38/79/1035753879.db2.gz OBQYKHKYSRXORP-WMLDXEAASA-N 1 3 328.422 4.225 20 0 EIADHO c1ccc(CN(C2CCCCC2)C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168387899 1036711065 /nfs/dbraw/zinc/71/10/65/1036711065.db2.gz XSVLVISNRSIUQL-UHFFFAOYSA-N 1 3 327.516 4.091 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccncc1Cl ZINC000421829453 1036788525 /nfs/dbraw/zinc/78/85/25/1036788525.db2.gz HYXYFXYFLNOXJZ-SOLBZPMBSA-N 1 3 343.902 4.439 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272265918 1037148472 /nfs/dbraw/zinc/14/84/72/1037148472.db2.gz AKVPTBQQKHUFBX-FCEWJHQRSA-N 1 3 343.902 4.296 20 0 EIADHO CN(CCCOc1ccc(C(C)(C)C)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000605421260 1037776627 /nfs/dbraw/zinc/77/66/27/1037776627.db2.gz WVTBJLWGTAWXJN-SFHVURJKSA-N 1 3 332.532 4.027 20 0 EIADHO CN(CCCOc1ccc(C(C)(C)C)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000605421260 1037776647 /nfs/dbraw/zinc/77/66/47/1037776647.db2.gz WVTBJLWGTAWXJN-SFHVURJKSA-N 1 3 332.532 4.027 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000422733085 1037808967 /nfs/dbraw/zinc/80/89/67/1037808967.db2.gz QNSGJKIIMZSKIE-RYUDHWBXSA-N 1 3 337.389 4.279 20 0 EIADHO Cc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422713323 1037810493 /nfs/dbraw/zinc/81/04/93/1037810493.db2.gz PNLPDRHYECLCMQ-UCNVEGJOSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000422716079 1037812717 /nfs/dbraw/zinc/81/27/17/1037812717.db2.gz MWNOALAHMZTHCX-HZPDHXFCSA-N 1 3 325.500 4.256 20 0 EIADHO N[C@H]1C[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)c2ccccc21 ZINC000422776629 1037829820 /nfs/dbraw/zinc/82/98/20/1037829820.db2.gz AQSXDIDIHNCRAT-OALUTQOASA-N 1 3 335.476 4.087 20 0 EIADHO CC[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1ccccc1Cl ZINC000422838307 1037842896 /nfs/dbraw/zinc/84/28/96/1037842896.db2.gz ODKPFABYASNVQU-CJNGLKHVSA-N 1 3 347.890 4.010 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000422888634 1037856016 /nfs/dbraw/zinc/85/60/16/1037856016.db2.gz DIJYGPWKMWAEBA-CABCVRRESA-N 1 3 327.472 4.048 20 0 EIADHO CC1(C)C[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000422993378 1037890890 /nfs/dbraw/zinc/89/08/90/1037890890.db2.gz SRTPNRIENPSQBF-JTAQYXEDSA-N 1 3 348.490 4.255 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000423041299 1037921721 /nfs/dbraw/zinc/92/17/21/1037921721.db2.gz IQKMGNLQVHBJLD-KRWDZBQOSA-N 1 3 337.511 4.302 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCCc1ccc(F)cc1 ZINC000423066535 1037929982 /nfs/dbraw/zinc/92/99/82/1037929982.db2.gz WZCBIQNETQFHGR-OAHLLOKOSA-N 1 3 329.463 4.051 20 0 EIADHO Fc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)c(Cl)c1 ZINC000423063933 1037930804 /nfs/dbraw/zinc/93/08/04/1037930804.db2.gz QANSRRBTWKATAJ-XYPWUTKMSA-N 1 3 336.882 4.164 20 0 EIADHO Cc1ccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CCC2)cc1C ZINC000423085425 1037947270 /nfs/dbraw/zinc/94/72/70/1037947270.db2.gz JXFDQQBILMASTD-KRWDZBQOSA-N 1 3 337.511 4.238 20 0 EIADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092031 1037953665 /nfs/dbraw/zinc/95/36/65/1037953665.db2.gz AGAWQGSOEJUFCY-MWQQHZPXSA-N 1 3 326.406 4.201 20 0 EIADHO N[C@@H]1C[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000423095220 1037954412 /nfs/dbraw/zinc/95/44/12/1037954412.db2.gz LQOVSEIZJIOQAA-UGAWAQNWSA-N 1 3 330.834 4.402 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423100190 1037958834 /nfs/dbraw/zinc/95/88/34/1037958834.db2.gz GPGVPIKTWOBHQS-GFCCVEGCSA-N 1 3 337.920 4.237 20 0 EIADHO [NH3+][C@H]1C[C@@H](N2CCC(Cc3cccc(F)c3F)CC2)c2ccccc21 ZINC000423153206 1038006779 /nfs/dbraw/zinc/00/67/79/1038006779.db2.gz GXSWJBUFXHHVMU-VQTJNVASSA-N 1 3 342.433 4.364 20 0 EIADHO Cc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000414721886 1038026222 /nfs/dbraw/zinc/02/62/22/1038026222.db2.gz JMUHRKYHQMZKDT-QGZVFWFLSA-N 1 3 332.538 4.262 20 0 EIADHO C[C@H](NCCC[NH3+])c1ccc(-c2ccccc2Br)s1 ZINC000423178941 1038035758 /nfs/dbraw/zinc/03/57/58/1038035758.db2.gz LJTVGUZISVBOHA-NSHDSACASA-N 1 3 339.302 4.177 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423200050 1038049555 /nfs/dbraw/zinc/04/95/55/1038049555.db2.gz LNUVJOQKRRCOJX-CABCVRRESA-N 1 3 331.529 4.430 20 0 EIADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423219271 1038060359 /nfs/dbraw/zinc/06/03/59/1038060359.db2.gz SZKPNLYKUGMAFF-JJXUHFIVSA-N 1 3 326.484 4.277 20 0 EIADHO CCOc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OCC ZINC000423291940 1038095082 /nfs/dbraw/zinc/09/50/82/1038095082.db2.gz KQCPOTCHIVOTSD-JKSUJKDBSA-N 1 3 342.483 4.355 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(Br)cc2)cc1 ZINC000423291671 1038096862 /nfs/dbraw/zinc/09/68/62/1038096862.db2.gz JIVDCMMZFGBHIA-CHWSQXEVSA-N 1 3 333.273 4.320 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000423293958 1038117979 /nfs/dbraw/zinc/11/79/79/1038117979.db2.gz SPKNJKCPDDHNKB-FZKQIMNGSA-N 1 3 330.859 4.363 20 0 EIADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCCO2 ZINC000489589476 1038134323 /nfs/dbraw/zinc/13/43/23/1038134323.db2.gz VJKMIZADTAKGTG-LJQANCHMSA-N 1 3 348.918 4.326 20 0 EIADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423350122 1038166032 /nfs/dbraw/zinc/16/60/32/1038166032.db2.gz WXMZEWAKKQWDGH-PBHICJAKSA-N 1 3 328.422 4.006 20 0 EIADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1OC(F)F ZINC000423396816 1038201661 /nfs/dbraw/zinc/20/16/61/1038201661.db2.gz SRMLAFKKTDTAQF-KRWDZBQOSA-N 1 3 332.394 4.132 20 0 EIADHO C[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccccc1Br ZINC000423461584 1038239940 /nfs/dbraw/zinc/23/99/40/1038239940.db2.gz SYDZGXLSRIDLPS-RDTXWAMCSA-N 1 3 347.300 4.256 20 0 EIADHO Cc1ccc([C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000423477282 1038248543 /nfs/dbraw/zinc/24/85/43/1038248543.db2.gz SEXKOYUEVSGIFG-QILLFSRXSA-N 1 3 332.488 4.240 20 0 EIADHO COc1ccc2c(c1)[C@H](N[C@H](CCC[NH3+])c1ccccc1)CCS2 ZINC000423503169 1038258266 /nfs/dbraw/zinc/25/82/66/1038258266.db2.gz FLWHCTGYZJUSLW-RTBURBONSA-N 1 3 342.508 4.302 20 0 EIADHO C[N@@H+]1CCC[C@H](CNCc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000594786052 1038400762 /nfs/dbraw/zinc/40/07/62/1038400762.db2.gz ISDGXNRSXYNHSL-CQSZACIVSA-N 1 3 334.916 4.500 20 0 EIADHO C[N@H+]1CCC[C@H](CNCc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000594786052 1038400776 /nfs/dbraw/zinc/40/07/76/1038400776.db2.gz ISDGXNRSXYNHSL-CQSZACIVSA-N 1 3 334.916 4.500 20 0 EIADHO C[C@H](C[NH2+][C@H](Cc1ccncc1)c1cccs1)CN1CCCCC1 ZINC000424274428 1038783126 /nfs/dbraw/zinc/78/31/26/1038783126.db2.gz YWRZGXKYYUYJQQ-IEBWSBKVSA-N 1 3 343.540 4.139 20 0 EIADHO CCCCCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480769817 1038797627 /nfs/dbraw/zinc/79/76/27/1038797627.db2.gz MQSLKWJNMVCVTM-QZTJIDSGSA-N 1 3 330.516 4.391 20 0 EIADHO CCCCCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480769817 1038797656 /nfs/dbraw/zinc/79/76/56/1038797656.db2.gz MQSLKWJNMVCVTM-QZTJIDSGSA-N 1 3 330.516 4.391 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@H](CC2CC2)c2ccccc2)C[C@@H](C)O1 ZINC000539071174 1038820424 /nfs/dbraw/zinc/82/04/24/1038820424.db2.gz FRCBNMYLFVGSSE-DBXWQHBBSA-N 1 3 330.516 4.007 20 0 EIADHO FC(F)(F)c1cccc([C@H]([NH2+]CCCN2CCCC2)C2CC2)c1 ZINC000539162542 1038865597 /nfs/dbraw/zinc/86/55/97/1038865597.db2.gz BPAVSYPJIUOKND-QGZVFWFLSA-N 1 3 326.406 4.232 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2cccc(Br)c2)C1 ZINC000481024776 1038962461 /nfs/dbraw/zinc/96/24/61/1038962461.db2.gz NJPQJONRZQKKHC-WMLDXEAASA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2cccc(Br)c2)C1 ZINC000481024776 1038962487 /nfs/dbraw/zinc/96/24/87/1038962487.db2.gz NJPQJONRZQKKHC-WMLDXEAASA-N 1 3 339.321 4.222 20 0 EIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCC1=CCCCC1)c1ccccc1O2 ZINC000539370216 1039014131 /nfs/dbraw/zinc/01/41/31/1039014131.db2.gz XRGHEFNQZFNSBO-HXUWFJFHSA-N 1 3 340.511 4.455 20 0 EIADHO CCCCOc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OC ZINC000414809642 1039030736 /nfs/dbraw/zinc/03/07/36/1039030736.db2.gz MMWJJUWWILMLFL-INIZCTEOSA-N 1 3 342.483 4.184 20 0 EIADHO CC[N@H+](CCCN1CCCC1)C/C(C)=C\c1ccccc1COC ZINC000552042705 1039059135 /nfs/dbraw/zinc/05/91/35/1039059135.db2.gz XLVRVVPIPIMEFB-MNDPQUGUSA-N 1 3 330.516 4.044 20 0 EIADHO CC[N@@H+](CCCN1CCCC1)C/C(C)=C\c1ccccc1COC ZINC000552042705 1039059155 /nfs/dbraw/zinc/05/91/55/1039059155.db2.gz XLVRVVPIPIMEFB-MNDPQUGUSA-N 1 3 330.516 4.044 20 0 EIADHO Cc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1Br ZINC000414815875 1039096327 /nfs/dbraw/zinc/09/63/27/1039096327.db2.gz YQFZQYJVIJEGPA-ZDUSSCGKSA-N 1 3 333.273 4.067 20 0 EIADHO CCOc1c(Cl)cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414816035 1039098842 /nfs/dbraw/zinc/09/88/42/1039098842.db2.gz YXOTVILUBCFHBI-CYBMUJFWSA-N 1 3 348.874 4.057 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(OC)c2)cc1 ZINC000120580286 1039181613 /nfs/dbraw/zinc/18/16/13/1039181613.db2.gz PRXFHMRHLZAGKD-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000090409169 1039221067 /nfs/dbraw/zinc/22/10/67/1039221067.db2.gz NIZBCNXFITUOFB-AQXGTKIOSA-N 1 3 341.524 4.298 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225192 1039277689 /nfs/dbraw/zinc/27/76/89/1039277689.db2.gz CZWYUINCNLGCEM-PKOBYXMFSA-N 1 3 332.536 4.275 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225192 1039277731 /nfs/dbraw/zinc/27/77/31/1039277731.db2.gz CZWYUINCNLGCEM-PKOBYXMFSA-N 1 3 332.536 4.275 20 0 EIADHO c1csc([C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000091726562 1039389152 /nfs/dbraw/zinc/38/91/52/1039389152.db2.gz STOUOHJOIGLDEG-UZLBHIALSA-N 1 3 348.556 4.070 20 0 EIADHO c1csc([C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000091726559 1039389984 /nfs/dbraw/zinc/38/99/84/1039389984.db2.gz STOUOHJOIGLDEG-OXJNMPFZSA-N 1 3 348.556 4.070 20 0 EIADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(C)cc1 ZINC000481732055 1039794443 /nfs/dbraw/zinc/79/44/43/1039794443.db2.gz WSRQUERHCZPNNP-HXUWFJFHSA-N 1 3 326.484 4.176 20 0 EIADHO c1ccc(CSCCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000534869030 1039821108 /nfs/dbraw/zinc/82/11/08/1039821108.db2.gz QJCYXANTBLRFNH-HXUWFJFHSA-N 1 3 332.557 4.260 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537692195 1039907549 /nfs/dbraw/zinc/90/75/49/1039907549.db2.gz GKCMHQRFDBPXSI-LPHOPBHVSA-N 1 3 326.509 4.350 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537692195 1039907576 /nfs/dbraw/zinc/90/75/76/1039907576.db2.gz GKCMHQRFDBPXSI-LPHOPBHVSA-N 1 3 326.509 4.350 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000482323923 1040164871 /nfs/dbraw/zinc/16/48/71/1040164871.db2.gz UJJGFRKNQMULGQ-YCRPNKLZSA-N 1 3 326.459 4.301 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000482323923 1040164890 /nfs/dbraw/zinc/16/48/90/1040164890.db2.gz UJJGFRKNQMULGQ-YCRPNKLZSA-N 1 3 326.459 4.301 20 0 EIADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436764 1040246338 /nfs/dbraw/zinc/24/63/38/1040246338.db2.gz JKFZVVXQHNJRHN-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000482436764 1040246348 /nfs/dbraw/zinc/24/63/48/1040246348.db2.gz JKFZVVXQHNJRHN-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436764 1040246359 /nfs/dbraw/zinc/24/63/59/1040246359.db2.gz JKFZVVXQHNJRHN-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000666993720 1040364361 /nfs/dbraw/zinc/36/43/61/1040364361.db2.gz GIUWQYBUYCFZFX-CZUORRHYSA-N 1 3 326.406 4.073 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccco1 ZINC000482634631 1040408465 /nfs/dbraw/zinc/40/84/65/1040408465.db2.gz ZQQSJBROAVDHID-OAHLLOKOSA-N 1 3 332.875 4.496 20 0 EIADHO Cc1ccccc1[C@@H](CC(C)C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483199006 1040756179 /nfs/dbraw/zinc/75/61/79/1040756179.db2.gz NGWMSJMHMOTFDK-DENIHFKCSA-N 1 3 344.543 4.173 20 0 EIADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(OC(F)F)c1 ZINC000483201211 1040760598 /nfs/dbraw/zinc/76/05/98/1040760598.db2.gz PKQSOPNNXDTTFM-BBRMVZONSA-N 1 3 328.447 4.305 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483483450 1040873019 /nfs/dbraw/zinc/87/30/19/1040873019.db2.gz NNFKUGPRECHSNE-FRFSOERESA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483483450 1040873022 /nfs/dbraw/zinc/87/30/22/1040873022.db2.gz NNFKUGPRECHSNE-FRFSOERESA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000483483450 1040873027 /nfs/dbraw/zinc/87/30/27/1040873027.db2.gz NNFKUGPRECHSNE-FRFSOERESA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000483483450 1040873039 /nfs/dbraw/zinc/87/30/39/1040873039.db2.gz NNFKUGPRECHSNE-FRFSOERESA-N 1 3 326.406 4.183 20 0 EIADHO CCC[NH+]1CCC(N[C@H](C)c2ccc(OC)c3ccccc32)CC1 ZINC000480139540 1040987319 /nfs/dbraw/zinc/98/73/19/1040987319.db2.gz LWSVCKJSDQECBQ-MRXNPFEDSA-N 1 3 326.484 4.373 20 0 EIADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1OCC ZINC000480134180 1040999399 /nfs/dbraw/zinc/99/93/99/1040999399.db2.gz GGIRSNLFLDHERS-KRWDZBQOSA-N 1 3 334.504 4.011 20 0 EIADHO CC(C)N1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436273144 1041046080 /nfs/dbraw/zinc/04/60/80/1041046080.db2.gz VGIHEIGIKIPFER-UHFFFAOYSA-N 1 3 334.813 4.321 20 0 EIADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000554374163 1041057585 /nfs/dbraw/zinc/05/75/85/1041057585.db2.gz PKOFMVVZQXZXPM-HGJUEJDCSA-N 1 3 330.491 4.157 20 0 EIADHO CCOc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1OC ZINC000924654650 1041087836 /nfs/dbraw/zinc/08/78/36/1041087836.db2.gz DVUBSUDTUKFKQT-INIZCTEOSA-N 1 3 342.483 4.006 20 0 EIADHO CC(C)C[C@@H](N)c1nc2ccccc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168362695 1041109825 /nfs/dbraw/zinc/10/98/25/1041109825.db2.gz CEBHTCIYWXDXCZ-GOSISDBHSA-N 1 3 340.515 4.129 20 0 EIADHO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC[C@@H](N(C)C)C3)ccc2c1 ZINC000484471719 1041248418 /nfs/dbraw/zinc/24/84/18/1041248418.db2.gz ILZUVRGOJICWPD-CWFSZBLJSA-N 1 3 326.484 4.372 20 0 EIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000484472562 1041250258 /nfs/dbraw/zinc/25/02/58/1041250258.db2.gz KVMMPHJPXGJDCA-VBQJREDUSA-N 1 3 342.405 4.035 20 0 EIADHO Cc1ccccc1OCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463063900 1041299591 /nfs/dbraw/zinc/29/95/91/1041299591.db2.gz FTFGNRQFWPGFJU-PZJWPPBQSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccccc1OCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463063900 1041299606 /nfs/dbraw/zinc/29/96/06/1041299606.db2.gz FTFGNRQFWPGFJU-PZJWPPBQSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463133538 1041367948 /nfs/dbraw/zinc/36/79/48/1041367948.db2.gz TZDPKHMRBFMBMT-TZIWHRDSSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463133538 1041367960 /nfs/dbraw/zinc/36/79/60/1041367960.db2.gz TZDPKHMRBFMBMT-TZIWHRDSSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463133536 1041368464 /nfs/dbraw/zinc/36/84/64/1041368464.db2.gz TZDPKHMRBFMBMT-FPOVZHCZSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463133536 1041368473 /nfs/dbraw/zinc/36/84/73/1041368473.db2.gz TZDPKHMRBFMBMT-FPOVZHCZSA-N 1 3 338.495 4.017 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@]3(CCN([C@H]4C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC000463195390 1041410051 /nfs/dbraw/zinc/41/00/51/1041410051.db2.gz WXQLQIMQIKDFFF-VJBWXMMDSA-N 1 3 332.491 4.141 20 0 EIADHO c1ccc(C[N@H+]2CC[C@]3(CCN([C@H]4C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC000463195390 1041410055 /nfs/dbraw/zinc/41/00/55/1041410055.db2.gz WXQLQIMQIKDFFF-VJBWXMMDSA-N 1 3 332.491 4.141 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@]3(CCN([C@@H]4C[C@H]4c4ccccc4)C3)C2)cc1 ZINC000463195392 1041410934 /nfs/dbraw/zinc/41/09/34/1041410934.db2.gz WXQLQIMQIKDFFF-ZRBLBEILSA-N 1 3 332.491 4.141 20 0 EIADHO c1ccc(C[N@H+]2CC[C@]3(CCN([C@@H]4C[C@H]4c4ccccc4)C3)C2)cc1 ZINC000463195392 1041410941 /nfs/dbraw/zinc/41/09/41/1041410941.db2.gz WXQLQIMQIKDFFF-ZRBLBEILSA-N 1 3 332.491 4.141 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000667706285 1041422483 /nfs/dbraw/zinc/42/24/83/1041422483.db2.gz WBQTYGYDSJMMNF-RBUKOAKNSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000667706285 1041422487 /nfs/dbraw/zinc/42/24/87/1041422487.db2.gz WBQTYGYDSJMMNF-RBUKOAKNSA-N 1 3 341.524 4.035 20 0 EIADHO COc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962863 1041753292 /nfs/dbraw/zinc/75/32/92/1041753292.db2.gz XRCHRDRUYPJUDB-GHTZIAJQSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962863 1041753304 /nfs/dbraw/zinc/75/33/04/1041753304.db2.gz XRCHRDRUYPJUDB-GHTZIAJQSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1 ZINC000540962863 1041753321 /nfs/dbraw/zinc/75/33/21/1041753321.db2.gz XRCHRDRUYPJUDB-GHTZIAJQSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000425914706 1041932443 /nfs/dbraw/zinc/93/24/43/1041932443.db2.gz CEVRMQYTJOCBSJ-IRXDYDNUSA-N 1 3 326.484 4.211 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425945132 1042033259 /nfs/dbraw/zinc/03/32/59/1042033259.db2.gz JOLZMWAQPTXENL-QWHCGFSZSA-N 1 3 335.492 4.106 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)CC(F)(F)F ZINC000402796800 1042041343 /nfs/dbraw/zinc/04/13/43/1042041343.db2.gz VYJVFJGJJHIOAA-XOYOTBSWSA-N 1 3 340.433 4.075 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425951437 1042067132 /nfs/dbraw/zinc/06/71/32/1042067132.db2.gz MQKMNCBRCRUQQP-GJZGRUSLSA-N 1 3 331.529 4.275 20 0 EIADHO C[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)CN(C)C ZINC000425955491 1042079395 /nfs/dbraw/zinc/07/93/95/1042079395.db2.gz ZYPGDKRCFKQRHJ-XJKSGUPXSA-N 1 3 347.503 4.114 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000493075096 1042811175 /nfs/dbraw/zinc/81/11/75/1042811175.db2.gz BIOFOMOEGYKOMV-YADHBBJMSA-N 1 3 340.511 4.031 20 0 EIADHO c1ccc(CSCCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000536382715 1042816736 /nfs/dbraw/zinc/81/67/36/1042816736.db2.gz NEUBRQROERRPBU-HXUWFJFHSA-N 1 3 332.557 4.118 20 0 EIADHO Fc1cc(Cl)cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000309682204 1042818860 /nfs/dbraw/zinc/81/88/60/1042818860.db2.gz BESKXQBWUIXEOG-MRXNPFEDSA-N 1 3 332.850 4.091 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309912991 1042824571 /nfs/dbraw/zinc/82/45/71/1042824571.db2.gz MWGOGHDMVJUKMZ-ZBFHGGJFSA-N 1 3 334.916 4.402 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309912988 1042824625 /nfs/dbraw/zinc/82/46/25/1042824625.db2.gz MWGOGHDMVJUKMZ-GDBMZVCRSA-N 1 3 334.916 4.402 20 0 EIADHO C[C@@H]([NH2+]CCSc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310170867 1042829869 /nfs/dbraw/zinc/82/98/69/1042829869.db2.gz UAUPBAFOHWMDDW-QUCCMNQESA-N 1 3 340.536 4.279 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591408 1042840609 /nfs/dbraw/zinc/84/06/09/1042840609.db2.gz OPYBISDIEXOZAY-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591408 1042840611 /nfs/dbraw/zinc/84/06/11/1042840611.db2.gz OPYBISDIEXOZAY-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO COc1cccc([C@H](C)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310834916 1042846882 /nfs/dbraw/zinc/84/68/82/1042846882.db2.gz MNDLSVZJQVJYQR-BBTUJRGHSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310834916 1042846884 /nfs/dbraw/zinc/84/68/84/1042846884.db2.gz MNDLSVZJQVJYQR-BBTUJRGHSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310998859 1042850181 /nfs/dbraw/zinc/85/01/81/1042850181.db2.gz UVEIKUHUHJNACO-WFXMLNOXSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310998859 1042850183 /nfs/dbraw/zinc/85/01/83/1042850183.db2.gz UVEIKUHUHJNACO-WFXMLNOXSA-N 1 3 338.495 4.256 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311064208 1042852236 /nfs/dbraw/zinc/85/22/36/1042852236.db2.gz JCQRFOBBWYZVPE-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)cc1CN1CCCCC1 ZINC000760040651 1042892852 /nfs/dbraw/zinc/89/28/52/1042892852.db2.gz UJLLRWYYEFDJGX-CQSZACIVSA-N 1 3 338.442 4.129 20 0 EIADHO COC[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493884681 1042970477 /nfs/dbraw/zinc/97/04/77/1042970477.db2.gz ZNNQGCITJNPICD-QFBILLFUSA-N 1 3 338.923 4.272 20 0 EIADHO COC[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493884681 1042970491 /nfs/dbraw/zinc/97/04/91/1042970491.db2.gz ZNNQGCITJNPICD-QFBILLFUSA-N 1 3 338.923 4.272 20 0 EIADHO CCCc1csc(CNC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000494174594 1043025104 /nfs/dbraw/zinc/02/51/04/1043025104.db2.gz AOJYHIXSIDYSBZ-UHFFFAOYSA-N 1 3 335.561 4.228 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000520790621 1043254884 /nfs/dbraw/zinc/25/48/84/1043254884.db2.gz WPSVYYPXUBWCHV-UHFFFAOYSA-N 1 3 344.543 4.368 20 0 EIADHO CSCCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186772630 1043308409 /nfs/dbraw/zinc/30/84/09/1043308409.db2.gz SZBDANACFHFKGN-SLFFLAALSA-N 1 3 332.557 4.020 20 0 EIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000665272161 1043477463 /nfs/dbraw/zinc/47/74/63/1043477463.db2.gz ZPMPOKKSJQOYJG-KGSLCBSSSA-N 1 3 347.506 4.041 20 0 EIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665272161 1043477472 /nfs/dbraw/zinc/47/74/72/1043477472.db2.gz ZPMPOKKSJQOYJG-KGSLCBSSSA-N 1 3 347.506 4.041 20 0 EIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000665272162 1043477845 /nfs/dbraw/zinc/47/78/45/1043477845.db2.gz ZPMPOKKSJQOYJG-QXUYBEEESA-N 1 3 347.506 4.041 20 0 EIADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665272162 1043477853 /nfs/dbraw/zinc/47/78/53/1043477853.db2.gz ZPMPOKKSJQOYJG-QXUYBEEESA-N 1 3 347.506 4.041 20 0 EIADHO C[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)CN1CCCCC1 ZINC000494926701 1044523441 /nfs/dbraw/zinc/52/34/41/1044523441.db2.gz YSMOKHMCHGJFCK-OPYAIIAOSA-N 1 3 348.506 4.005 20 0 EIADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000673600439 1044854480 /nfs/dbraw/zinc/85/44/80/1044854480.db2.gz XCQRJQGARZZKLI-IDJPSDCMSA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000673600439 1044854484 /nfs/dbraw/zinc/85/44/84/1044854484.db2.gz XCQRJQGARZZKLI-IDJPSDCMSA-N 1 3 326.406 4.040 20 0 EIADHO COc1ccc2nc(CNCCCC[N@@H+]3CCCC[C@@H]3C)sc2c1 ZINC000474346089 1044871314 /nfs/dbraw/zinc/87/13/14/1044871314.db2.gz CLGDAFMYVCVCMB-HNNXBMFYSA-N 1 3 347.528 4.049 20 0 EIADHO COc1ccc2nc(CNCCCC[N@H+]3CCCC[C@@H]3C)sc2c1 ZINC000474346089 1044871316 /nfs/dbraw/zinc/87/13/16/1044871316.db2.gz CLGDAFMYVCVCMB-HNNXBMFYSA-N 1 3 347.528 4.049 20 0 EIADHO Fc1ccccc1C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000191693398 1044905521 /nfs/dbraw/zinc/90/55/21/1044905521.db2.gz QZVQIMHCSYXDAF-VGOFRKELSA-N 1 3 338.470 4.183 20 0 EIADHO Fc1ccccc1C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000191693398 1044905533 /nfs/dbraw/zinc/90/55/33/1044905533.db2.gz QZVQIMHCSYXDAF-VGOFRKELSA-N 1 3 338.470 4.183 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000325990631 1045522355 /nfs/dbraw/zinc/52/23/55/1045522355.db2.gz CSTKKZPKOZHRTM-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@@H](C)C1 ZINC000536660002 1046626782 /nfs/dbraw/zinc/62/67/82/1046626782.db2.gz SASDIZZBPCSPCK-RDJZCZTQSA-N 1 3 340.458 4.067 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@@H](C)C1 ZINC000536660002 1046626787 /nfs/dbraw/zinc/62/67/87/1046626787.db2.gz SASDIZZBPCSPCK-RDJZCZTQSA-N 1 3 340.458 4.067 20 0 EIADHO c1ccc(C[NH2+]C2CCN(CC[C@@H]3CCc4ccccc43)CC2)cc1 ZINC001170470051 1046826678 /nfs/dbraw/zinc/82/66/78/1046826678.db2.gz UKWRITUMELONBZ-NRFANRHFSA-N 1 3 334.507 4.361 20 0 EIADHO C[C@H]1CC[C@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170119545 1047471480 /nfs/dbraw/zinc/47/14/80/1047471480.db2.gz YIKOLXUIUIBEGW-BBRMVZONSA-N 1 3 326.406 4.144 20 0 EIADHO C[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119574 1047473234 /nfs/dbraw/zinc/47/32/34/1047473234.db2.gz AMKZVECWNUIPEJ-AOIWGVFYSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119574 1047473242 /nfs/dbraw/zinc/47/32/42/1047473242.db2.gz AMKZVECWNUIPEJ-AOIWGVFYSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000763435102 1047805004 /nfs/dbraw/zinc/80/50/04/1047805004.db2.gz YZZGPKOSEOTUKB-HOCLYGCPSA-N 1 3 333.347 4.157 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000763435102 1047805006 /nfs/dbraw/zinc/80/50/06/1047805006.db2.gz YZZGPKOSEOTUKB-HOCLYGCPSA-N 1 3 333.347 4.157 20 0 EIADHO COc1cccc2cc(CN(C)Cc3ccc(C[NH+](C)C)cc3)oc21 ZINC000809738384 1048510328 /nfs/dbraw/zinc/51/03/28/1048510328.db2.gz WWJJYKKCLMROLX-UHFFFAOYSA-N 1 3 338.451 4.135 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415865 1048650820 /nfs/dbraw/zinc/65/08/20/1048650820.db2.gz OQBDGSFXXMHGPJ-HOTGVXAUSA-N 1 3 346.906 4.055 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415865 1048650826 /nfs/dbraw/zinc/65/08/26/1048650826.db2.gz OQBDGSFXXMHGPJ-HOTGVXAUSA-N 1 3 346.906 4.055 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415865 1048650829 /nfs/dbraw/zinc/65/08/29/1048650829.db2.gz OQBDGSFXXMHGPJ-HOTGVXAUSA-N 1 3 346.906 4.055 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415865 1048650833 /nfs/dbraw/zinc/65/08/33/1048650833.db2.gz OQBDGSFXXMHGPJ-HOTGVXAUSA-N 1 3 346.906 4.055 20 0 EIADHO CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CCCCCC[NH3+] ZINC000846220263 1048843921 /nfs/dbraw/zinc/84/39/21/1048843921.db2.gz MSXKFOANRCXOLI-IBGZPJMESA-N 1 3 328.504 4.273 20 0 EIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947289 1049064655 /nfs/dbraw/zinc/06/46/55/1049064655.db2.gz BJBGXBPUNNCFNG-CYBMUJFWSA-N 1 3 331.529 4.101 20 0 EIADHO CC(C)Oc1ccc([C@H](C)NCc2ccc(CC[NH3+])cc2)cc1Cl ZINC000817949139 1049064763 /nfs/dbraw/zinc/06/47/63/1049064763.db2.gz OJIKWJMJRQHTKZ-HNNXBMFYSA-N 1 3 346.902 4.479 20 0 EIADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000817961135 1049068625 /nfs/dbraw/zinc/06/86/25/1049068625.db2.gz UTADKXXEELJCAZ-PMJAUZGISA-N 1 3 344.543 4.047 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000817963153 1049070815 /nfs/dbraw/zinc/07/08/15/1049070815.db2.gz ORRGITQTQWGEDJ-QWRGUYRKSA-N 1 3 338.282 4.446 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910715 1049185168 /nfs/dbraw/zinc/18/51/68/1049185168.db2.gz NRERSHJGMIKKPW-QGZVFWFLSA-N 1 3 334.935 4.440 20 0 EIADHO FC1(F)CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716704539 1049702982 /nfs/dbraw/zinc/70/29/82/1049702982.db2.gz GIHUGJXMZINIDQ-OKYOBFRVSA-N 1 3 334.454 4.065 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171465938 1049707635 /nfs/dbraw/zinc/70/76/35/1049707635.db2.gz KQIWUIXCMOPHLJ-KRWDZBQOSA-N 1 3 336.470 4.065 20 0 EIADHO C[NH+]1CCC(CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000813325615 1049744900 /nfs/dbraw/zinc/74/49/00/1049744900.db2.gz HRCHXBQKMLNIJD-QGZVFWFLSA-N 1 3 327.299 4.376 20 0 EIADHO COCC1(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCC(F)(F)CC1 ZINC001171626995 1049769719 /nfs/dbraw/zinc/76/97/19/1049769719.db2.gz IJEGBHBAZZBNIQ-UHFFFAOYSA-N 1 3 346.506 4.070 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1(C)C ZINC001171639455 1049779156 /nfs/dbraw/zinc/77/91/56/1049779156.db2.gz KMIZEHLMSCAQPA-FQEVSTJZSA-N 1 3 344.543 4.319 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1(C)C ZINC001171639455 1049779162 /nfs/dbraw/zinc/77/91/62/1049779162.db2.gz KMIZEHLMSCAQPA-FQEVSTJZSA-N 1 3 344.543 4.319 20 0 EIADHO Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000813789000 1049816598 /nfs/dbraw/zinc/81/65/98/1049816598.db2.gz GAZHKSJMZBEVGU-FRIKZZABSA-N 1 3 335.495 4.065 20 0 EIADHO Cc1ccncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000813789842 1049817294 /nfs/dbraw/zinc/81/72/94/1049817294.db2.gz FNIOUNMDWPGFEB-FRIKZZABSA-N 1 3 335.495 4.065 20 0 EIADHO CC1(C)C[C@@H](N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171977282 1049836714 /nfs/dbraw/zinc/83/67/14/1049836714.db2.gz PUTJUBCSXMGDRT-QFIPXVFZSA-N 1 3 334.507 4.488 20 0 EIADHO CC1(C)C[C@@H](N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171977282 1049836716 /nfs/dbraw/zinc/83/67/16/1049836716.db2.gz PUTJUBCSXMGDRT-QFIPXVFZSA-N 1 3 334.507 4.488 20 0 EIADHO c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245725358 1049838949 /nfs/dbraw/zinc/83/89/49/1049838949.db2.gz PIOQHRLTOHCOBX-JTJHWIPRSA-N 1 3 336.479 4.442 20 0 EIADHO Oc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172063325 1049849449 /nfs/dbraw/zinc/84/94/49/1049849449.db2.gz YAQXKGLSUKHFPH-MZADTFQBSA-N 1 3 336.479 4.068 20 0 EIADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](NCCOC2CCCC2)C3)cc1 ZINC001172063523 1049849486 /nfs/dbraw/zinc/84/94/86/1049849486.db2.gz AGZAIRSBYAKMKZ-MZADTFQBSA-N 1 3 342.527 4.121 20 0 EIADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](NCCOC2CCCC2)C3)cc1 ZINC001172063523 1049849487 /nfs/dbraw/zinc/84/94/87/1049849487.db2.gz AGZAIRSBYAKMKZ-MZADTFQBSA-N 1 3 342.527 4.121 20 0 EIADHO Cc1ccccc1[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccncc1 ZINC001172099942 1049850283 /nfs/dbraw/zinc/85/02/83/1049850283.db2.gz NVKSIITYDMAWCP-KEZQHZCBSA-N 1 3 335.495 4.084 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC001172107398 1049856313 /nfs/dbraw/zinc/85/63/13/1049856313.db2.gz WUCHTIVLEJNIAG-VDNDLQMASA-N 1 3 337.305 4.115 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC001172107398 1049856315 /nfs/dbraw/zinc/85/63/15/1049856315.db2.gz WUCHTIVLEJNIAG-VDNDLQMASA-N 1 3 337.305 4.115 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1(C)C ZINC001171021345 1049861428 /nfs/dbraw/zinc/86/14/28/1049861428.db2.gz BGYRGBYOJJKIQK-OAHLLOKOSA-N 1 3 334.935 4.438 20 0 EIADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001172578988 1049951935 /nfs/dbraw/zinc/95/19/35/1049951935.db2.gz TYZPFXSKYOZBLH-SNPRPXQTSA-N 1 3 344.877 4.402 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cccnc1 ZINC000246643178 1049993397 /nfs/dbraw/zinc/99/33/97/1049993397.db2.gz XLAUUHRRRAYEAO-GUDVDZBRSA-N 1 3 337.511 4.410 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000246936215 1050006523 /nfs/dbraw/zinc/00/65/23/1050006523.db2.gz GSXYETNNPACWMO-CAOSSQGBSA-N 1 3 331.529 4.251 20 0 EIADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000246936215 1050006531 /nfs/dbraw/zinc/00/65/31/1050006531.db2.gz GSXYETNNPACWMO-CAOSSQGBSA-N 1 3 331.529 4.251 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247112604 1050012646 /nfs/dbraw/zinc/01/26/46/1050012646.db2.gz TYVSRVJZVBKSAF-CABCVRRESA-N 1 3 326.431 4.059 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247119600 1050014225 /nfs/dbraw/zinc/01/42/25/1050014225.db2.gz UOBHUIYPOZZHSX-HUUCEWRRSA-N 1 3 326.431 4.059 20 0 EIADHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCC(Oc2ccccc2)CC1 ZINC001173197118 1050340876 /nfs/dbraw/zinc/34/08/76/1050340876.db2.gz BUPTZNYEDFYQHZ-UHFFFAOYSA-N 1 3 330.516 4.357 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC[C@@H]1CCCN1C ZINC001173540380 1050476055 /nfs/dbraw/zinc/47/60/55/1050476055.db2.gz WMLPRIWYNPAOML-ZFWWWQNUSA-N 1 3 329.315 4.388 20 0 EIADHO c1ccc2c(c1)CCC21CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC001173685586 1050538291 /nfs/dbraw/zinc/53/82/91/1050538291.db2.gz DGABIJLEMWZCFY-UHFFFAOYSA-N 1 3 338.539 4.373 20 0 EIADHO c1ccc2c(c1)CCC21CCC([NH+]2CCC(N3CCCC3)CC2)CC1 ZINC001173685586 1050538304 /nfs/dbraw/zinc/53/83/04/1050538304.db2.gz DGABIJLEMWZCFY-UHFFFAOYSA-N 1 3 338.539 4.373 20 0 EIADHO CC(C)CC[NH+]1CCC(N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC001180332215 1050971872 /nfs/dbraw/zinc/97/18/72/1050971872.db2.gz OQEWAZWBSAGEOB-IBGZPJMESA-N 1 3 349.950 4.019 20 0 EIADHO CC(C)CCN1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC001180332215 1050971884 /nfs/dbraw/zinc/97/18/84/1050971884.db2.gz OQEWAZWBSAGEOB-IBGZPJMESA-N 1 3 349.950 4.019 20 0 EIADHO C[C@H](CCc1cncc2ccccc21)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001180809154 1051086798 /nfs/dbraw/zinc/08/67/98/1051086798.db2.gz BDMZYUYXTYLOER-RTBURBONSA-N 1 3 339.527 4.410 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)ccc1OC ZINC000775365983 1051135480 /nfs/dbraw/zinc/13/54/80/1051135480.db2.gz RTAJJTMJTSOFIH-IAGOWNOFSA-N 1 3 344.499 4.412 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000620535899 1051152419 /nfs/dbraw/zinc/15/24/19/1051152419.db2.gz UFTBLMVACFHXGP-UHFFFAOYSA-N 1 3 332.532 4.418 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000620535899 1051152423 /nfs/dbraw/zinc/15/24/23/1051152423.db2.gz UFTBLMVACFHXGP-UHFFFAOYSA-N 1 3 332.532 4.418 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCCC(F)(F)F)ccc1OC ZINC000775394581 1051209160 /nfs/dbraw/zinc/20/91/60/1051209160.db2.gz GFTTZUSNJYAWDW-CYBMUJFWSA-N 1 3 332.410 4.140 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)SC)ccc1OC ZINC000775398218 1051230989 /nfs/dbraw/zinc/23/09/89/1051230989.db2.gz XZXAXSMOOXQRTD-OAHLLOKOSA-N 1 3 338.561 4.329 20 0 EIADHO Cc1cccc(CCCN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001190651645 1051245715 /nfs/dbraw/zinc/24/57/15/1051245715.db2.gz OVXCPYRRULLHRW-JOCHJYFZSA-N 1 3 328.544 4.372 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+](C)C(C)C)CC2 ZINC000154854376 1051344216 /nfs/dbraw/zinc/34/42/16/1051344216.db2.gz YZIPBRPUWSOBNF-QFIPXVFZSA-N 1 3 338.495 4.313 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)CC2 ZINC000154854376 1051344225 /nfs/dbraw/zinc/34/42/25/1051344225.db2.gz YZIPBRPUWSOBNF-QFIPXVFZSA-N 1 3 338.495 4.313 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)C1 ZINC000163240119 1051357849 /nfs/dbraw/zinc/35/78/49/1051357849.db2.gz FWKAEEXJTUXSQM-ROUUACIJSA-N 1 3 338.495 4.355 20 0 EIADHO c1ccc([C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000155269166 1051400227 /nfs/dbraw/zinc/40/02/27/1051400227.db2.gz RHVSVJWHKBVIDY-IRLDBZIGSA-N 1 3 342.527 4.293 20 0 EIADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001205571453 1051553995 /nfs/dbraw/zinc/55/39/95/1051553995.db2.gz URGBZBWBMSRQIE-CQSZACIVSA-N 1 3 338.776 4.012 20 0 EIADHO CC(C)(C)[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC001182453360 1051580480 /nfs/dbraw/zinc/58/04/80/1051580480.db2.gz SIVZKAWBVNRCBL-IIZPIQPGSA-N 1 3 326.528 4.313 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000158120430 1051714911 /nfs/dbraw/zinc/71/49/11/1051714911.db2.gz VBBIDKDMYNBDSN-DOTOQJQBSA-N 1 3 341.524 4.119 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000158120430 1051714924 /nfs/dbraw/zinc/71/49/24/1051714924.db2.gz VBBIDKDMYNBDSN-DOTOQJQBSA-N 1 3 341.524 4.119 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158218459 1051726193 /nfs/dbraw/zinc/72/61/93/1051726193.db2.gz GATLDIWAESYHMD-ZBFHGGJFSA-N 1 3 329.513 4.111 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158218459 1051726205 /nfs/dbraw/zinc/72/62/05/1051726205.db2.gz GATLDIWAESYHMD-ZBFHGGJFSA-N 1 3 329.513 4.111 20 0 EIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001183093924 1051785734 /nfs/dbraw/zinc/78/57/34/1051785734.db2.gz HAORXWSGVHPCMQ-ICSRJNTNSA-N 1 3 328.544 4.454 20 0 EIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000775549664 1051816200 /nfs/dbraw/zinc/81/62/00/1051816200.db2.gz ZGZFYQFQQKMWJZ-HIFRSBDPSA-N 1 3 330.394 4.110 20 0 EIADHO C[C@@H]1CN(Cc2cccc(CC3CCC3)c2)CCN1c1cc[nH+]cc1 ZINC001183534604 1051863941 /nfs/dbraw/zinc/86/39/41/1051863941.db2.gz RMQNXRVBSNRTKZ-GOSISDBHSA-N 1 3 335.495 4.135 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCOC23CCCCC3)CC1 ZINC001184067500 1051942865 /nfs/dbraw/zinc/94/28/65/1051942865.db2.gz RRXJRILXVFAMII-MISYRCLQSA-N 1 3 334.548 4.111 20 0 EIADHO CC(C)(C)[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC001176995896 1052215872 /nfs/dbraw/zinc/21/58/72/1052215872.db2.gz OZRZIDWLPAFGCJ-OAQYLSRUSA-N 1 3 344.543 4.310 20 0 EIADHO COc1cccc2cc([C@@H](C)NCc3ccc(C[NH+](C)C)cc3)oc21 ZINC000171128281 1052396686 /nfs/dbraw/zinc/39/66/86/1052396686.db2.gz UHWRZGMMOJXOPT-OAHLLOKOSA-N 1 3 338.451 4.354 20 0 EIADHO C[N@@H+]1CC[C@H](NCCc2nc(C3CCCCC3)cs2)CC1(C)C ZINC000623425447 1052653550 /nfs/dbraw/zinc/65/35/50/1052653550.db2.gz BDIXYSHAUXEWJF-INIZCTEOSA-N 1 3 335.561 4.196 20 0 EIADHO C[N@H+]1CC[C@H](NCCc2nc(C3CCCCC3)cs2)CC1(C)C ZINC000623425447 1052653553 /nfs/dbraw/zinc/65/35/53/1052653553.db2.gz BDIXYSHAUXEWJF-INIZCTEOSA-N 1 3 335.561 4.196 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000178414023 1052705966 /nfs/dbraw/zinc/70/59/66/1052705966.db2.gz BSAOBPCDYVFEFT-OAHLLOKOSA-N 1 3 329.513 4.255 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000179598282 1052742869 /nfs/dbraw/zinc/74/28/69/1052742869.db2.gz QWFCCIPQIIGIAQ-OAUYIBNBSA-N 1 3 326.406 4.229 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000179598282 1052742872 /nfs/dbraw/zinc/74/28/72/1052742872.db2.gz QWFCCIPQIIGIAQ-OAUYIBNBSA-N 1 3 326.406 4.229 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000623866514 1052825235 /nfs/dbraw/zinc/82/52/35/1052825235.db2.gz YQOTVWTZTDGIBY-KVPLUYHFSA-N 1 3 348.531 4.445 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000623866514 1052825237 /nfs/dbraw/zinc/82/52/37/1052825237.db2.gz YQOTVWTZTDGIBY-KVPLUYHFSA-N 1 3 348.531 4.445 20 0 EIADHO c1nc2c(s1)CCC[C@H]2NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000623873762 1052827620 /nfs/dbraw/zinc/82/76/20/1052827620.db2.gz QRLULYUQPNEKJR-GOSISDBHSA-N 1 3 341.524 4.022 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@@H+]1C ZINC000623898300 1052832416 /nfs/dbraw/zinc/83/24/16/1052832416.db2.gz FAOWKUYTOFTHMU-UVBSCNOISA-N 1 3 331.891 4.271 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@H+]1C ZINC000623898300 1052832419 /nfs/dbraw/zinc/83/24/19/1052832419.db2.gz FAOWKUYTOFTHMU-UVBSCNOISA-N 1 3 331.891 4.271 20 0 EIADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(C)ccc1C ZINC000623921247 1052838444 /nfs/dbraw/zinc/83/84/44/1052838444.db2.gz PDKMPSGIHCIGDA-BHDDXSALSA-N 1 3 344.543 4.112 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000624112567 1052866132 /nfs/dbraw/zinc/86/61/32/1052866132.db2.gz CMFVELTUTLBBLR-AZUAARDMSA-N 1 3 343.559 4.300 20 0 EIADHO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCCCN(C)C3)oc21 ZINC000624122400 1052868318 /nfs/dbraw/zinc/86/83/18/1052868318.db2.gz QJUCJAJSSBETOF-JKSUJKDBSA-N 1 3 330.472 4.214 20 0 EIADHO COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381292716 1053064208 /nfs/dbraw/zinc/06/42/08/1053064208.db2.gz XSEUXLLPDKTBNX-BJLQDIEVSA-N 1 3 338.495 4.256 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CF)cc1 ZINC000775686403 1053569391 /nfs/dbraw/zinc/56/93/91/1053569391.db2.gz GLTHFCTUBUFUTC-UTKZUKDTSA-N 1 3 326.459 4.156 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CF)cc1 ZINC000775686403 1053569399 /nfs/dbraw/zinc/56/93/99/1053569399.db2.gz GLTHFCTUBUFUTC-UTKZUKDTSA-N 1 3 326.459 4.156 20 0 EIADHO FC(F)(F)CCSCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000865786543 1053591179 /nfs/dbraw/zinc/59/11/79/1053591179.db2.gz DVNYBEOOVIOIOD-UHFFFAOYSA-N 1 3 338.483 4.059 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000866237031 1053658405 /nfs/dbraw/zinc/65/84/05/1053658405.db2.gz GUGNOZWRHUHACN-OAQYLSRUSA-N 1 3 325.500 4.410 20 0 EIADHO Fc1ccc([C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283348 1053664850 /nfs/dbraw/zinc/66/48/50/1053664850.db2.gz BIJOXOQOUJZNKH-PGRDOPGGSA-N 1 3 338.470 4.389 20 0 EIADHO Fc1ccc([C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283348 1053664861 /nfs/dbraw/zinc/66/48/61/1053664861.db2.gz BIJOXOQOUJZNKH-PGRDOPGGSA-N 1 3 338.470 4.389 20 0 EIADHO C[NH+](C)C1(C)CCC(N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000866517376 1053765595 /nfs/dbraw/zinc/76/55/95/1053765595.db2.gz IBJUMCDNSJHPNA-VEDCXYSMSA-N 1 3 341.474 4.163 20 0 EIADHO CCN(CC)Cc1cccc(N2C[C@H](CC[NH3+])c3ccccc32)c1F ZINC001168547555 1053781560 /nfs/dbraw/zinc/78/15/60/1053781560.db2.gz FNGABIHKXBCKQY-INIZCTEOSA-N 1 3 341.474 4.252 20 0 EIADHO C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCN1c1ccncc1 ZINC001197377337 1053897955 /nfs/dbraw/zinc/89/79/55/1053897955.db2.gz LUXNVVUTMPYUGX-QKNQBKEWSA-N 1 3 335.495 4.176 20 0 EIADHO C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCN1c1ccncc1 ZINC001197377337 1053897956 /nfs/dbraw/zinc/89/79/56/1053897956.db2.gz LUXNVVUTMPYUGX-QKNQBKEWSA-N 1 3 335.495 4.176 20 0 EIADHO CCC(C)(C)CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599654 1054090845 /nfs/dbraw/zinc/09/08/45/1054090845.db2.gz MPWIMWCBAVISCC-FQEVSTJZSA-N 1 3 347.547 4.201 20 0 EIADHO CCC(C)(C)CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599654 1054090856 /nfs/dbraw/zinc/09/08/56/1054090856.db2.gz MPWIMWCBAVISCC-FQEVSTJZSA-N 1 3 347.547 4.201 20 0 EIADHO CC(C)n1c2ccccc2nc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC001199336664 1054385653 /nfs/dbraw/zinc/38/56/53/1054385653.db2.gz UVYHEZNIHSKUAG-SFHVURJKSA-N 1 3 342.531 4.361 20 0 EIADHO CC(C)n1c2ccccc2nc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC001199336664 1054385664 /nfs/dbraw/zinc/38/56/64/1054385664.db2.gz UVYHEZNIHSKUAG-SFHVURJKSA-N 1 3 342.531 4.361 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC001199336844 1054388085 /nfs/dbraw/zinc/38/80/85/1054388085.db2.gz YJBHKSNGDUFIBC-AWEZNQCLSA-N 1 3 344.421 4.171 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC001199336844 1054388098 /nfs/dbraw/zinc/38/80/98/1054388098.db2.gz YJBHKSNGDUFIBC-AWEZNQCLSA-N 1 3 344.421 4.171 20 0 EIADHO C[C@@H](C[NH2+]C[C@@H](C)CN1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001199403023 1054406126 /nfs/dbraw/zinc/40/61/26/1054406126.db2.gz CPARZYLOOUFSPJ-RTBURBONSA-N 1 3 330.560 4.484 20 0 EIADHO C[C@H]1C[C@H](CCNCc2cc(F)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC001201492027 1054818651 /nfs/dbraw/zinc/81/86/51/1054818651.db2.gz PANQHTNAIMUPLH-WMZOPIPTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@H]1C[C@H](CCNCc2cc(F)ccc2F)C[N@H+]1Cc1ccccc1 ZINC001201492027 1054818657 /nfs/dbraw/zinc/81/86/57/1054818657.db2.gz PANQHTNAIMUPLH-WMZOPIPTSA-N 1 3 344.449 4.355 20 0 EIADHO c1ccc(CCC[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672755 1054872399 /nfs/dbraw/zinc/87/23/99/1054872399.db2.gz XEWPHMPDEHYQPR-PKTZIBPZSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCC[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672755 1054872404 /nfs/dbraw/zinc/87/24/04/1054872404.db2.gz XEWPHMPDEHYQPR-PKTZIBPZSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672755 1054872408 /nfs/dbraw/zinc/87/24/08/1054872408.db2.gz XEWPHMPDEHYQPR-PKTZIBPZSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672755 1054872414 /nfs/dbraw/zinc/87/24/14/1054872414.db2.gz XEWPHMPDEHYQPR-PKTZIBPZSA-N 1 3 334.507 4.073 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000863547738 1055227361 /nfs/dbraw/zinc/22/73/61/1055227361.db2.gz RTPONCALGPQUEE-KZNAEPCWSA-N 1 3 347.453 4.437 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3nc4ccccc4s3)CC1)C2 ZINC001169142405 1060662779 /nfs/dbraw/zinc/66/27/79/1060662779.db2.gz UDWPWWFHCNBERN-FVQHAEBGSA-N 1 3 341.524 4.101 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(c3nc4ccccc4s3)CC1)C2 ZINC001169142405 1060662785 /nfs/dbraw/zinc/66/27/85/1060662785.db2.gz UDWPWWFHCNBERN-FVQHAEBGSA-N 1 3 341.524 4.101 20 0 EIADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCCC1(F)F ZINC000450455631 1032511153 /nfs/dbraw/zinc/51/11/53/1032511153.db2.gz OFYUOHGZROAWRC-RBUKOAKNSA-N 1 3 336.470 4.266 20 0 EIADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCCC1(F)F ZINC000450455631 1032511164 /nfs/dbraw/zinc/51/11/64/1032511164.db2.gz OFYUOHGZROAWRC-RBUKOAKNSA-N 1 3 336.470 4.266 20 0 EIADHO CCCC[C@@H](CC)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000438100202 1032728490 /nfs/dbraw/zinc/72/84/90/1032728490.db2.gz BYRUVWBJORAZKX-HXUWFJFHSA-N 1 3 337.596 4.083 20 0 EIADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000643546200 1018899342 /nfs/dbraw/zinc/89/93/42/1018899342.db2.gz KGDPICLPQGNFBP-KFONASLZSA-N 1 3 342.527 4.227 20 0 EIADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C(c1ccccc1)c1ccccc1 ZINC000643546636 1018899946 /nfs/dbraw/zinc/89/99/46/1018899946.db2.gz SEKKXNMQTCKDJQ-WIYYLYMNSA-N 1 3 334.507 4.471 20 0 EIADHO c1cc2cccc(CNCc3ccccc3C[NH+]3CCCCC3)c2[nH]1 ZINC000236658787 1032824500 /nfs/dbraw/zinc/82/45/00/1032824500.db2.gz KYZVWCGCSPGAEL-UHFFFAOYSA-N 1 3 333.479 4.444 20 0 EIADHO CN1CCC[C@H](C[N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001208608397 1019448022 /nfs/dbraw/zinc/44/80/22/1019448022.db2.gz IQAJPTODASRYOP-KBPBESRZSA-N 1 3 327.299 4.125 20 0 EIADHO CN1CCC[C@H](C[N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001208608397 1019448044 /nfs/dbraw/zinc/44/80/44/1019448044.db2.gz IQAJPTODASRYOP-KBPBESRZSA-N 1 3 327.299 4.125 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cncs1 ZINC000155212541 1020357207 /nfs/dbraw/zinc/35/72/07/1020357207.db2.gz DYFRUYSJXFXXQE-AWEZNQCLSA-N 1 3 349.931 4.359 20 0 EIADHO CC[N@H+](CCCN1CCCCC1)Cc1cccc(Br)c1 ZINC001167219157 1020577035 /nfs/dbraw/zinc/57/70/35/1020577035.db2.gz XYWLHBKOYSALMD-UHFFFAOYSA-N 1 3 339.321 4.147 20 0 EIADHO CC[N@@H+](CCCN1CCCCC1)Cc1cccc(Br)c1 ZINC001167219157 1020577044 /nfs/dbraw/zinc/57/70/44/1020577044.db2.gz XYWLHBKOYSALMD-UHFFFAOYSA-N 1 3 339.321 4.147 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690503 1021098201 /nfs/dbraw/zinc/09/82/01/1021098201.db2.gz LXCNRXJQOCVLDR-OFNKIYASSA-N 1 3 349.522 4.435 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690503 1021098210 /nfs/dbraw/zinc/09/82/10/1021098210.db2.gz LXCNRXJQOCVLDR-OFNKIYASSA-N 1 3 349.522 4.435 20 0 EIADHO c1cc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)ccc2cn1 ZINC000683764143 1021375995 /nfs/dbraw/zinc/37/59/95/1021375995.db2.gz ZOYJQXHJZPDGPD-UHFFFAOYSA-N 1 3 331.463 4.120 20 0 EIADHO C[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000924566495 1021747723 /nfs/dbraw/zinc/74/77/23/1021747723.db2.gz DQYNFDKPJZUVGP-AWEZNQCLSA-N 1 3 334.410 4.200 20 0 EIADHO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000613266646 1021839011 /nfs/dbraw/zinc/83/90/11/1021839011.db2.gz PXVQSMNJHFMPJP-UHFFFAOYSA-N 1 3 349.522 4.419 20 0 EIADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)CCO2 ZINC000160470105 1021882278 /nfs/dbraw/zinc/88/22/78/1021882278.db2.gz ZYZKZJCDUKLPLC-FQEVSTJZSA-N 1 3 328.500 4.069 20 0 EIADHO COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471602662 1022308944 /nfs/dbraw/zinc/30/89/44/1022308944.db2.gz CTHLLGUDIXOTHK-XYJFISCASA-N 1 3 344.524 4.318 20 0 EIADHO C[C@@H]([NH2+]CCc1c(F)cccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000402101119 1022801397 /nfs/dbraw/zinc/80/13/97/1022801397.db2.gz VGCRZWLMUXDAJU-AEFFLSMTSA-N 1 3 344.449 4.008 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000378902468 1023389791 /nfs/dbraw/zinc/38/97/91/1023389791.db2.gz CNMHTIHABQBMSM-CYBMUJFWSA-N 1 3 344.421 4.499 20 0 EIADHO Brc1ccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000415090353 1023435436 /nfs/dbraw/zinc/43/54/36/1023435436.db2.gz ZBMXOSARXIWCHD-IRXDYDNUSA-N 1 3 337.305 4.022 20 0 EIADHO COc1cccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)c1 ZINC000192904924 1023657521 /nfs/dbraw/zinc/65/75/21/1023657521.db2.gz DLXWLPXHQCKNHP-SEJPIABJSA-N 1 3 336.479 4.077 20 0 EIADHO COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390546858 1023664888 /nfs/dbraw/zinc/66/48/88/1023664888.db2.gz IUKDYHSZWUJEPA-NRFANRHFSA-N 1 3 338.495 4.086 20 0 EIADHO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390546858 1023664892 /nfs/dbraw/zinc/66/48/92/1023664892.db2.gz IUKDYHSZWUJEPA-NRFANRHFSA-N 1 3 338.495 4.086 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000178203008 1023831121 /nfs/dbraw/zinc/83/11/21/1023831121.db2.gz NRLMBDJFGDQOQO-QGZVFWFLSA-N 1 3 338.495 4.314 20 0 EIADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000430750926 1024009658 /nfs/dbraw/zinc/00/96/58/1024009658.db2.gz QOJRTGZZCGJBAI-ZGXWSNOMSA-N 1 3 348.481 4.312 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216791 1033193542 /nfs/dbraw/zinc/19/35/42/1033193542.db2.gz ZGYBRBIMGYDIHW-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216791 1033193547 /nfs/dbraw/zinc/19/35/47/1033193547.db2.gz ZGYBRBIMGYDIHW-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1 ZINC000652150002 1024332371 /nfs/dbraw/zinc/33/23/71/1024332371.db2.gz IIGDHXFIZVGJQD-HXUWFJFHSA-N 1 3 348.506 4.148 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000341761284 1024628757 /nfs/dbraw/zinc/62/87/57/1024628757.db2.gz QAAQUVIPZMKFCJ-LJQANCHMSA-N 1 3 344.886 4.405 20 0 EIADHO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481312 1024825540 /nfs/dbraw/zinc/82/55/40/1024825540.db2.gz MWFKQSDJOWAXQU-WFXMLNOXSA-N 1 3 337.511 4.205 20 0 EIADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467334 1025399197 /nfs/dbraw/zinc/39/91/97/1025399197.db2.gz DWCAFYHQDXYNPX-SJLPKXTDSA-N 1 3 332.557 4.051 20 0 EIADHO Cc1ccc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)ccc2n1 ZINC000187635057 1025873975 /nfs/dbraw/zinc/87/39/75/1025873975.db2.gz RKNGDCNYHNFKIT-UHFFFAOYSA-N 1 3 345.490 4.297 20 0 EIADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Oc2cccnc2)cc1 ZINC000344090899 1025996779 /nfs/dbraw/zinc/99/67/79/1025996779.db2.gz JPIJOTDWBMGIDZ-FUHWJXTLSA-N 1 3 325.456 4.009 20 0 EIADHO CC(C)(Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167977521 1026332675 /nfs/dbraw/zinc/33/26/75/1026332675.db2.gz DEKVHXXNPNFTAT-IHWFROFDSA-N 1 3 330.491 4.142 20 0 EIADHO C[C@H](NCc1cc2ccncc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430593 1026644761 /nfs/dbraw/zinc/64/47/61/1026644761.db2.gz RSQZTABUPRTFDR-HOCLYGCPSA-N 1 3 329.513 4.039 20 0 EIADHO C[C@H](NCc1cc2ccncc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430593 1026644770 /nfs/dbraw/zinc/64/47/70/1026644770.db2.gz RSQZTABUPRTFDR-HOCLYGCPSA-N 1 3 329.513 4.039 20 0 EIADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000563361630 1026668116 /nfs/dbraw/zinc/66/81/16/1026668116.db2.gz NFENYKNYZVPLFB-LJQANCHMSA-N 1 3 337.511 4.289 20 0 EIADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000563361630 1026668123 /nfs/dbraw/zinc/66/81/23/1026668123.db2.gz NFENYKNYZVPLFB-LJQANCHMSA-N 1 3 337.511 4.289 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000582540451 1026767369 /nfs/dbraw/zinc/76/73/69/1026767369.db2.gz IGTKRZDRGMQTDZ-ZWWNWMABSA-N 1 3 337.511 4.426 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000507507630 1026820843 /nfs/dbraw/zinc/82/08/43/1026820843.db2.gz IOOLLBJQJRQTIL-YDZRNGNQSA-N 1 3 334.454 4.065 20 0 EIADHO C[NH+](C)Cc1ccc(CNc2ccnc3cc(F)ccc32)cc1F ZINC000301867323 1027120885 /nfs/dbraw/zinc/12/08/85/1027120885.db2.gz HOMZQKBAXVNJPP-UHFFFAOYSA-N 1 3 327.378 4.187 20 0 EIADHO Cc1cccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235520 1027277819 /nfs/dbraw/zinc/27/78/19/1027277819.db2.gz IGWLDHHJQLDERW-KSSFIOAISA-N 1 3 333.838 4.287 20 0 EIADHO Cc1cccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235520 1027277836 /nfs/dbraw/zinc/27/78/36/1027277836.db2.gz IGWLDHHJQLDERW-KSSFIOAISA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(Cl)c1 ZINC000657613186 1027289577 /nfs/dbraw/zinc/28/95/77/1027289577.db2.gz HQCYCNVWVKWGSF-UHFFFAOYSA-N 1 3 343.902 4.045 20 0 EIADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000441331243 1027468938 /nfs/dbraw/zinc/46/89/38/1027468938.db2.gz NMXPITKARPHRJM-ZBFHGGJFSA-N 1 3 326.431 4.155 20 0 EIADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000441331243 1027468941 /nfs/dbraw/zinc/46/89/41/1027468941.db2.gz NMXPITKARPHRJM-ZBFHGGJFSA-N 1 3 326.431 4.155 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391666 1027512897 /nfs/dbraw/zinc/51/28/97/1027512897.db2.gz BIJGRLVQHCEYQJ-TZIWHRDSSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441391666 1027512907 /nfs/dbraw/zinc/51/29/07/1027512907.db2.gz BIJGRLVQHCEYQJ-TZIWHRDSSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441400063 1027525556 /nfs/dbraw/zinc/52/55/56/1027525556.db2.gz ZAPWJDIBLAJDMK-SIKLNZKXSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441400063 1027525571 /nfs/dbraw/zinc/52/55/71/1027525571.db2.gz ZAPWJDIBLAJDMK-SIKLNZKXSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000441418645 1027536208 /nfs/dbraw/zinc/53/62/08/1027536208.db2.gz VJCLNCPTNWRQEA-SIKLNZKXSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000441418645 1027536218 /nfs/dbraw/zinc/53/62/18/1027536218.db2.gz VJCLNCPTNWRQEA-SIKLNZKXSA-N 1 3 342.527 4.021 20 0 EIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1OC ZINC000474941549 1027811066 /nfs/dbraw/zinc/81/10/66/1027811066.db2.gz JLHHRLRTIZVMQR-RCCFBDPRSA-N 1 3 348.531 4.050 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648117 1027841987 /nfs/dbraw/zinc/84/19/87/1027841987.db2.gz RIYKVYBVUJUIQP-ICSRJNTNSA-N 1 3 326.509 4.331 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648117 1027841995 /nfs/dbraw/zinc/84/19/95/1027841995.db2.gz RIYKVYBVUJUIQP-ICSRJNTNSA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648117 1027841996 /nfs/dbraw/zinc/84/19/96/1027841996.db2.gz RIYKVYBVUJUIQP-ICSRJNTNSA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648117 1027841999 /nfs/dbraw/zinc/84/19/99/1027841999.db2.gz RIYKVYBVUJUIQP-ICSRJNTNSA-N 1 3 326.509 4.331 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280963621 1028311141 /nfs/dbraw/zinc/31/11/41/1028311141.db2.gz ZGTUYTMNSFGFMK-VDHUWJSZSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280963621 1028311157 /nfs/dbraw/zinc/31/11/57/1028311157.db2.gz ZGTUYTMNSFGFMK-VDHUWJSZSA-N 1 3 338.417 4.168 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](CC(C)C)c2ccncc2)c1 ZINC000647288186 1028587863 /nfs/dbraw/zinc/58/78/63/1028587863.db2.gz RBRFYLCQLKYGDR-NRFANRHFSA-N 1 3 325.500 4.410 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](CC(C)C)c2ccncc2)c1 ZINC000647288186 1028587878 /nfs/dbraw/zinc/58/78/78/1028587878.db2.gz RBRFYLCQLKYGDR-NRFANRHFSA-N 1 3 325.500 4.410 20 0 EIADHO C[C@@H]1C[C@H](NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000080338933 1028716117 /nfs/dbraw/zinc/71/61/17/1028716117.db2.gz IGFJWDKCVHPEHE-XMSQKQJNSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@H](NCc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000080338933 1028716139 /nfs/dbraw/zinc/71/61/39/1028716139.db2.gz IGFJWDKCVHPEHE-XMSQKQJNSA-N 1 3 345.490 4.378 20 0 EIADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000346860194 1028796636 /nfs/dbraw/zinc/79/66/36/1028796636.db2.gz JASNXCIVUBDZEX-FUHWJXTLSA-N 1 3 334.504 4.009 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000281644671 1028822290 /nfs/dbraw/zinc/82/22/90/1028822290.db2.gz PEJBTUTTXLYPJY-KLHDSHLOSA-N 1 3 339.310 4.456 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000281644671 1028822292 /nfs/dbraw/zinc/82/22/92/1028822292.db2.gz PEJBTUTTXLYPJY-KLHDSHLOSA-N 1 3 339.310 4.456 20 0 EIADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000708528738 1029813400 /nfs/dbraw/zinc/81/34/00/1029813400.db2.gz IGKGJNJDPDFCDV-GDBMZVCRSA-N 1 3 334.916 4.259 20 0 EIADHO C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000089552505 1029854901 /nfs/dbraw/zinc/85/49/01/1029854901.db2.gz BKFSJGVMIRCNBW-BTYIYWSLSA-N 1 3 342.458 4.104 20 0 EIADHO CCOc1ccccc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000089551114 1029855055 /nfs/dbraw/zinc/85/50/55/1029855055.db2.gz GIGOTVIFJMNVID-UHFFFAOYSA-N 1 3 330.516 4.015 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cc2cnccc2o1 ZINC000657867195 1029948262 /nfs/dbraw/zinc/94/82/62/1029948262.db2.gz KJUJATXCGMCYMJ-PKOBYXMFSA-N 1 3 349.478 4.043 20 0 EIADHO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(F)cn1 ZINC000092767897 1029950382 /nfs/dbraw/zinc/95/03/82/1029950382.db2.gz VMPIVZNMVKLLBV-ZACQAIPSSA-N 1 3 341.474 4.028 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2sc(C)nc2C)cc1 ZINC000170972845 1029971012 /nfs/dbraw/zinc/97/10/12/1029971012.db2.gz UNZQUHZEPVHARJ-AWEZNQCLSA-N 1 3 331.529 4.453 20 0 EIADHO C[C@H](c1ccccc1Br)N1CCC(CC[NH+](C)C)CC1 ZINC000138374989 1030041810 /nfs/dbraw/zinc/04/18/10/1030041810.db2.gz HMPTYAZUMMFDQL-CQSZACIVSA-N 1 3 339.321 4.174 20 0 EIADHO C[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874925 1030090849 /nfs/dbraw/zinc/09/08/49/1030090849.db2.gz RSMXODSGCRGHPK-MDYRTPRTSA-N 1 3 332.919 4.392 20 0 EIADHO C[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874925 1030090864 /nfs/dbraw/zinc/09/08/64/1030090864.db2.gz RSMXODSGCRGHPK-MDYRTPRTSA-N 1 3 332.919 4.392 20 0 EIADHO FC(F)c1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000525985507 1030172037 /nfs/dbraw/zinc/17/20/37/1030172037.db2.gz WVFGMOFIUXKSAD-LJQANCHMSA-N 1 3 344.449 4.278 20 0 EIADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)c2cccc(CO)c2)CC1 ZINC000121857040 1030461850 /nfs/dbraw/zinc/46/18/50/1030461850.db2.gz GHVJHCXJVAJRRL-ZWKOTPCHSA-N 1 3 338.495 4.055 20 0 EIADHO C[C@@H](CCSc1ccccc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000431607619 1030473860 /nfs/dbraw/zinc/47/38/60/1030473860.db2.gz IIYDPFJVKASULJ-HKUYNNGSSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@@H](CCSc1ccccc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000431607619 1030473874 /nfs/dbraw/zinc/47/38/74/1030473874.db2.gz IIYDPFJVKASULJ-HKUYNNGSSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@H](CCSc1ccccc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000431607621 1030473990 /nfs/dbraw/zinc/47/39/90/1030473990.db2.gz IIYDPFJVKASULJ-MJGOQNOKSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@H](CCSc1ccccc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000431607621 1030473997 /nfs/dbraw/zinc/47/39/97/1030473997.db2.gz IIYDPFJVKASULJ-MJGOQNOKSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCc2cc(F)ccc21 ZINC000398107407 1030698656 /nfs/dbraw/zinc/69/86/56/1030698656.db2.gz BYHHGMZJGWHUQN-URZJWIJPSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCc2cc(F)ccc21 ZINC000398107407 1030698667 /nfs/dbraw/zinc/69/86/67/1030698667.db2.gz BYHHGMZJGWHUQN-URZJWIJPSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCc2c1cccc2F ZINC000398131413 1030710619 /nfs/dbraw/zinc/71/06/19/1030710619.db2.gz JQSJITNNAOJIFK-HVETUWLQSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCc2c1cccc2F ZINC000398131413 1030710635 /nfs/dbraw/zinc/71/06/35/1030710635.db2.gz JQSJITNNAOJIFK-HVETUWLQSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Br)s1 ZINC000527489951 1030724601 /nfs/dbraw/zinc/72/46/01/1030724601.db2.gz XWPKZRUHKOAVLO-NEPJUHHUSA-N 1 3 331.323 4.036 20 0 EIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Br)s1 ZINC000527489952 1030725349 /nfs/dbraw/zinc/72/53/49/1030725349.db2.gz XWPKZRUHKOAVLO-VXGBXAGGSA-N 1 3 331.323 4.036 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657999297 1030768846 /nfs/dbraw/zinc/76/88/46/1030768846.db2.gz TXCYQKJMBFALSV-WBVHZDCISA-N 1 3 345.437 4.192 20 0 EIADHO Clc1ccc2c(c1)C[C@@H]1[C@H](NC3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000527751439 1030843075 /nfs/dbraw/zinc/84/30/75/1030843075.db2.gz YBSMDJPBJNAFKS-HBMCJLEFSA-N 1 3 344.930 4.365 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1csc(Cl)c1 ZINC000658163725 1030860215 /nfs/dbraw/zinc/86/02/15/1030860215.db2.gz AJGNYBJPBNBYFW-AWEZNQCLSA-N 1 3 349.931 4.359 20 0 EIADHO CC(C)[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000658164170 1030860937 /nfs/dbraw/zinc/86/09/37/1030860937.db2.gz CCSBDZRZDRYKNW-JOCHJYFZSA-N 1 3 337.511 4.281 20 0 EIADHO c1cc2c(s1)CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165366 1030863166 /nfs/dbraw/zinc/86/31/66/1030863166.db2.gz IUTGHUKTDAYJPJ-IBGZPJMESA-N 1 3 341.524 4.022 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H](C)c1ccccc1 ZINC000658168735 1030863642 /nfs/dbraw/zinc/86/36/42/1030863642.db2.gz YDWAEYOPHZOHAT-RBUKOAKNSA-N 1 3 337.511 4.075 20 0 EIADHO Cc1cc(C)cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658168805 1030863896 /nfs/dbraw/zinc/86/38/96/1030863896.db2.gz ZELSEUJFOBSYHK-IBGZPJMESA-N 1 3 337.511 4.261 20 0 EIADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168734 1030864716 /nfs/dbraw/zinc/86/47/16/1030864716.db2.gz YDWAEYOPHZOHAT-OALUTQOASA-N 1 3 337.511 4.075 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cccnc1 ZINC000658320510 1030985759 /nfs/dbraw/zinc/98/57/59/1030985759.db2.gz YWLGNKGGFLMZFN-WIYYLYMNSA-N 1 3 335.495 4.035 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(C)cc2)[C@@H](C)C1 ZINC000532499452 1031237821 /nfs/dbraw/zinc/23/78/21/1031237821.db2.gz JFTSQAOATNNSLY-JBACZVJFSA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(C)cc2)[C@@H](C)C1 ZINC000532499452 1031237848 /nfs/dbraw/zinc/23/78/48/1031237848.db2.gz JFTSQAOATNNSLY-JBACZVJFSA-N 1 3 332.532 4.173 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449038147 1031378240 /nfs/dbraw/zinc/37/82/40/1031378240.db2.gz RXBITQALKOWGSL-KRWDZBQOSA-N 1 3 341.499 4.304 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449038147 1031378254 /nfs/dbraw/zinc/37/82/54/1031378254.db2.gz RXBITQALKOWGSL-KRWDZBQOSA-N 1 3 341.499 4.304 20 0 EIADHO CC[C@H](CC(F)(F)F)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449243599 1031578669 /nfs/dbraw/zinc/57/86/69/1031578669.db2.gz LXNFBYZYFBMLNE-NVXWUHKLSA-N 1 3 342.449 4.403 20 0 EIADHO Cc1cc([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000453098514 1031590288 /nfs/dbraw/zinc/59/02/88/1031590288.db2.gz VFIWEILQCQQMKI-INIZCTEOSA-N 1 3 332.513 4.238 20 0 EIADHO C[C@@H](CN(Cc1ccco1)C1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449331211 1031625936 /nfs/dbraw/zinc/62/59/36/1031625936.db2.gz NRPJZEYWUKJVIL-HNNXBMFYSA-N 1 3 348.437 4.258 20 0 EIADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2sccc21 ZINC000453162596 1031665072 /nfs/dbraw/zinc/66/50/72/1031665072.db2.gz PBWLPFYIQKBPFZ-FDPIWHGQSA-N 1 3 348.556 4.044 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000531980184 1031929344 /nfs/dbraw/zinc/92/93/44/1031929344.db2.gz AOEPSNZGRMTPHM-XMSQKQJNSA-N 1 3 337.511 4.274 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000531980184 1031929350 /nfs/dbraw/zinc/92/93/50/1031929350.db2.gz AOEPSNZGRMTPHM-XMSQKQJNSA-N 1 3 337.511 4.274 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001168264686 1032026130 /nfs/dbraw/zinc/02/61/30/1032026130.db2.gz LTKYTYDHUCOSQM-RXVVDRJESA-N 1 3 326.528 4.433 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168264686 1032026145 /nfs/dbraw/zinc/02/61/45/1032026145.db2.gz LTKYTYDHUCOSQM-RXVVDRJESA-N 1 3 326.528 4.433 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000333347530 1034816790 /nfs/dbraw/zinc/81/67/90/1034816790.db2.gz ZPKMZMYIDKMKLB-PMPSAXMXSA-N 1 3 327.497 4.047 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000333347528 1034817141 /nfs/dbraw/zinc/81/71/41/1034817141.db2.gz ZPKMZMYIDKMKLB-OAGGEKHMSA-N 1 3 327.497 4.047 20 0 EIADHO [NH3+]C[C@@H]1CN([C@H]2CCc3c2cccc3Cl)C[C@H]1c1ccccc1 ZINC000420315844 1035511196 /nfs/dbraw/zinc/51/11/96/1035511196.db2.gz MVQOMNXGDPLRQU-BPAFIMBUSA-N 1 3 326.871 4.002 20 0 EIADHO Cc1cc2cc(CN[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH]1 ZINC000575202764 1035722067 /nfs/dbraw/zinc/72/20/67/1035722067.db2.gz AQWWFFCBOLAPDP-VGSWGCGISA-N 1 3 347.506 4.477 20 0 EIADHO Cc1cc2cc(CN[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH]1 ZINC000575202764 1035722084 /nfs/dbraw/zinc/72/20/84/1035722084.db2.gz AQWWFFCBOLAPDP-VGSWGCGISA-N 1 3 347.506 4.477 20 0 EIADHO C[NH+]1CCC(CN[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000491002460 1035752375 /nfs/dbraw/zinc/75/23/75/1035752375.db2.gz BSFZDWRFXWXIPE-HXUWFJFHSA-N 1 3 346.877 4.500 20 0 EIADHO CC[NH+]1CCC(CN[C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000571138024 1035970475 /nfs/dbraw/zinc/97/04/75/1035970475.db2.gz UBAWAPFWNRZONH-OAHLLOKOSA-N 1 3 329.513 4.193 20 0 EIADHO COc1ccc(C2CCC([NH2+]C[C@H]3CCN(C(C)C)C3)CC2)cc1 ZINC000571807296 1036260354 /nfs/dbraw/zinc/26/03/54/1036260354.db2.gz XWHHSHZXOHLBSZ-PGYGNJIDSA-N 1 3 330.516 4.041 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526520 1036784972 /nfs/dbraw/zinc/78/49/72/1036784972.db2.gz HHOKKCMPDOCUNR-KSSFIOAISA-N 1 3 332.488 4.326 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526520 1036784988 /nfs/dbraw/zinc/78/49/88/1036784988.db2.gz HHOKKCMPDOCUNR-KSSFIOAISA-N 1 3 332.488 4.326 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526515 1036785668 /nfs/dbraw/zinc/78/56/68/1036785668.db2.gz HHOKKCMPDOCUNR-KBXCAEBGSA-N 1 3 332.488 4.326 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526515 1036785689 /nfs/dbraw/zinc/78/56/89/1036785689.db2.gz HHOKKCMPDOCUNR-KBXCAEBGSA-N 1 3 332.488 4.326 20 0 EIADHO CN1CCC[C@H]1CC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000503081984 1036894776 /nfs/dbraw/zinc/89/47/76/1036894776.db2.gz VMUDZVNAKVSFDF-INIZCTEOSA-N 1 3 338.948 4.381 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271902761 1037048298 /nfs/dbraw/zinc/04/82/98/1037048298.db2.gz VXFQGOVNUZZHKS-CYBMUJFWSA-N 1 3 345.487 4.170 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271902761 1037048319 /nfs/dbraw/zinc/04/83/19/1037048319.db2.gz VXFQGOVNUZZHKS-CYBMUJFWSA-N 1 3 345.487 4.170 20 0 EIADHO N[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C1CC1 ZINC000573082393 1037345790 /nfs/dbraw/zinc/34/57/90/1037345790.db2.gz AFPGXLCZCACSDB-CABCVRRESA-N 1 3 347.915 4.168 20 0 EIADHO CCC[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccnc1 ZINC000273469304 1037474983 /nfs/dbraw/zinc/47/49/83/1037474983.db2.gz FLIGOZAHROUNJN-OAQYLSRUSA-N 1 3 341.499 4.043 20 0 EIADHO C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414654315 1037671562 /nfs/dbraw/zinc/67/15/62/1037671562.db2.gz ITXDZNKXGOJOFZ-QIXHYMPYSA-N 1 3 326.406 4.024 20 0 EIADHO c1ccc(SC2(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422910675 1037865135 /nfs/dbraw/zinc/86/51/35/1037865135.db2.gz RGTGEYDEPNSMEX-GUDVDZBRSA-N 1 3 330.541 4.212 20 0 EIADHO COc1ccccc1SC[C@H](C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422947682 1037885995 /nfs/dbraw/zinc/88/59/95/1037885995.db2.gz QWTFEVIMJFDJTD-FHLIZLRMSA-N 1 3 342.508 4.158 20 0 EIADHO CC[C@H](CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414706122 1037887019 /nfs/dbraw/zinc/88/70/19/1037887019.db2.gz AABSGHUCWCBEAR-DENIHFKCSA-N 1 3 337.511 4.220 20 0 EIADHO CC[C@@H](CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414706128 1037887086 /nfs/dbraw/zinc/88/70/86/1037887086.db2.gz AABSGHUCWCBEAR-SIKLNZKXSA-N 1 3 337.511 4.220 20 0 EIADHO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423007454 1037898822 /nfs/dbraw/zinc/89/88/22/1037898822.db2.gz XSKZFQIKNBYPPR-GDBMZVCRSA-N 1 3 329.513 4.070 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000423044029 1037918983 /nfs/dbraw/zinc/91/89/83/1037918983.db2.gz AOABEDYVAJWEFQ-NBCNXNJRSA-N 1 3 337.511 4.459 20 0 EIADHO CC(C)c1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423050202 1037937313 /nfs/dbraw/zinc/93/73/13/1037937313.db2.gz LDUURPAKVMHHGF-IRLDBZIGSA-N 1 3 336.479 4.156 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](Cc1ccccc1)C(C)C ZINC000423076652 1037941144 /nfs/dbraw/zinc/94/11/44/1037941144.db2.gz ZPWIFXYKNHDVQF-LPHOPBHVSA-N 1 3 325.500 4.014 20 0 EIADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423096956 1037952560 /nfs/dbraw/zinc/95/25/60/1037952560.db2.gz QDQQPIQVEYPUSB-SRABZTEZSA-N 1 3 326.406 4.059 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000423105889 1037984244 /nfs/dbraw/zinc/98/42/44/1037984244.db2.gz JCNPTQBCQNICDJ-HOTGVXAUSA-N 1 3 341.499 4.090 20 0 EIADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146211 1037997141 /nfs/dbraw/zinc/99/71/41/1037997141.db2.gz OPPUROHPGBOIAQ-VERUCKTNSA-N 1 3 328.887 4.134 20 0 EIADHO Cc1cc2c(cc1C)[C@H](NCCC[NH2+]Cc1cccnc1)CCS2 ZINC000423193305 1038051494 /nfs/dbraw/zinc/05/14/94/1038051494.db2.gz WZKADPVJTHXAGU-LJQANCHMSA-N 1 3 341.524 4.005 20 0 EIADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423224193 1038064732 /nfs/dbraw/zinc/06/47/32/1038064732.db2.gz IMNGNJROCHVBNM-SMDDNHRTSA-N 1 3 335.904 4.168 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000423288932 1038091860 /nfs/dbraw/zinc/09/18/60/1038091860.db2.gz AAUDJRCGKOJMEP-UGSOOPFHSA-N 1 3 330.859 4.363 20 0 EIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(OC(F)(F)F)c1 ZINC000423290072 1038096142 /nfs/dbraw/zinc/09/61/42/1038096142.db2.gz CHEOENVLQACINH-QWHCGFSZSA-N 1 3 338.373 4.456 20 0 EIADHO CSc1cccc([C@H](NCCCC[NH3+])c2cc(F)ccc2F)c1 ZINC000423319484 1038112255 /nfs/dbraw/zinc/11/22/55/1038112255.db2.gz FMAGGHNGGDAWTO-SFHVURJKSA-N 1 3 336.451 4.105 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000423294179 1038118911 /nfs/dbraw/zinc/11/89/11/1038118911.db2.gz TXPDVMMRUVWUKO-KZULUSFZSA-N 1 3 345.284 4.246 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(Br)cc32)cc1 ZINC000423294181 1038124630 /nfs/dbraw/zinc/12/46/30/1038124630.db2.gz TXPDVMMRUVWUKO-XIKOKIGWSA-N 1 3 345.284 4.246 20 0 EIADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCCO2 ZINC000489589475 1038133171 /nfs/dbraw/zinc/13/31/71/1038133171.db2.gz VJKMIZADTAKGTG-IBGZPJMESA-N 1 3 348.918 4.326 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000467312505 1038152171 /nfs/dbraw/zinc/15/21/71/1038152171.db2.gz FUWZWUMYNRSPNV-ZCNNSNEGSA-N 1 3 329.532 4.270 20 0 EIADHO CC[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000423480368 1038251852 /nfs/dbraw/zinc/25/18/52/1038251852.db2.gz VVCVEJWMHIYKMJ-JQHSSLGASA-N 1 3 332.488 4.321 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000423480368 1038251867 /nfs/dbraw/zinc/25/18/67/1038251867.db2.gz VVCVEJWMHIYKMJ-JQHSSLGASA-N 1 3 332.488 4.321 20 0 EIADHO C[C@H]1C[C@@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@@H+]1C ZINC000608061540 1038448316 /nfs/dbraw/zinc/44/83/16/1038448316.db2.gz JLQCDGZVCNUQEF-RXVVDRJESA-N 1 3 347.506 4.262 20 0 EIADHO C[C@H]1C[C@@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@H+]1C ZINC000608061540 1038448327 /nfs/dbraw/zinc/44/83/27/1038448327.db2.gz JLQCDGZVCNUQEF-RXVVDRJESA-N 1 3 347.506 4.262 20 0 EIADHO CC(C)(C)N1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424305219 1038812517 /nfs/dbraw/zinc/81/25/17/1038812517.db2.gz RTINEDFXYPUNHI-GOSISDBHSA-N 1 3 343.540 4.279 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@H](CC2CC2)c2ccccc2)C[C@H](C)O1 ZINC000539071183 1038820332 /nfs/dbraw/zinc/82/03/32/1038820332.db2.gz FRCBNMYLFVGSSE-LVCYWYKZSA-N 1 3 330.516 4.007 20 0 EIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000539219805 1038890223 /nfs/dbraw/zinc/89/02/23/1038890223.db2.gz RPLQFWCNJZHTPT-SFHVURJKSA-N 1 3 345.575 4.003 20 0 EIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000539219805 1038890225 /nfs/dbraw/zinc/89/02/25/1038890225.db2.gz RPLQFWCNJZHTPT-SFHVURJKSA-N 1 3 345.575 4.003 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023375 1038960748 /nfs/dbraw/zinc/96/07/48/1038960748.db2.gz NDLRMRVNLVIEHW-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023375 1038960756 /nfs/dbraw/zinc/96/07/56/1038960756.db2.gz NDLRMRVNLVIEHW-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035714 1038985320 /nfs/dbraw/zinc/98/53/20/1038985320.db2.gz IGUNJUIRFCEASP-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035714 1038985335 /nfs/dbraw/zinc/98/53/35/1038985335.db2.gz IGUNJUIRFCEASP-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035714 1038985349 /nfs/dbraw/zinc/98/53/49/1038985349.db2.gz IGUNJUIRFCEASP-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO CCCCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414806759 1039018166 /nfs/dbraw/zinc/01/81/66/1039018166.db2.gz ICSKWBAFDWSSDU-INIZCTEOSA-N 1 3 342.483 4.184 20 0 EIADHO CCCCOc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC ZINC000414809644 1039032082 /nfs/dbraw/zinc/03/20/82/1039032082.db2.gz MMWJJUWWILMLFL-MRXNPFEDSA-N 1 3 342.483 4.184 20 0 EIADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000539377625 1039034400 /nfs/dbraw/zinc/03/44/00/1039034400.db2.gz SZXSLKAHBDHRKG-GGPKGHCWSA-N 1 3 342.527 4.391 20 0 EIADHO Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000534057987 1039075309 /nfs/dbraw/zinc/07/53/09/1039075309.db2.gz FIBPYDOCPJBYRJ-SFHVURJKSA-N 1 3 339.310 4.445 20 0 EIADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@]4(C3)CCCN(C)C4)s2)cc1 ZINC000552110266 1039138530 /nfs/dbraw/zinc/13/85/30/1039138530.db2.gz FBTCLSMCVQAHJO-HXUWFJFHSA-N 1 3 341.524 4.036 20 0 EIADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@]4(C3)CCCN(C)C4)s2)cc1 ZINC000552110266 1039138545 /nfs/dbraw/zinc/13/85/45/1039138545.db2.gz FBTCLSMCVQAHJO-HXUWFJFHSA-N 1 3 341.524 4.036 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099423 1039156221 /nfs/dbraw/zinc/15/62/21/1039156221.db2.gz IEMODLIUSFRSPC-XGHQBKJUSA-N 1 3 348.494 4.267 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099423 1039156240 /nfs/dbraw/zinc/15/62/40/1039156240.db2.gz IEMODLIUSFRSPC-XGHQBKJUSA-N 1 3 348.494 4.267 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000120579263 1039181393 /nfs/dbraw/zinc/18/13/93/1039181393.db2.gz UKGREZROYZUDLE-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325246 1039297454 /nfs/dbraw/zinc/29/74/54/1039297454.db2.gz VBJJTDJWJMBBMT-PBHICJAKSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325246 1039297489 /nfs/dbraw/zinc/29/74/89/1039297489.db2.gz VBJJTDJWJMBBMT-PBHICJAKSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325246 1039297525 /nfs/dbraw/zinc/29/75/25/1039297525.db2.gz VBJJTDJWJMBBMT-PBHICJAKSA-N 1 3 328.422 4.478 20 0 EIADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1ccccc1 ZINC000481405817 1039389332 /nfs/dbraw/zinc/38/93/32/1039389332.db2.gz QINQJPKCEWBQAO-LJQANCHMSA-N 1 3 344.543 4.226 20 0 EIADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1ccccc1 ZINC000481405814 1039389773 /nfs/dbraw/zinc/38/97/73/1039389773.db2.gz QINQJPKCEWBQAO-IBGZPJMESA-N 1 3 344.543 4.226 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCCc2ccccc21 ZINC000481742492 1039805412 /nfs/dbraw/zinc/80/54/12/1039805412.db2.gz LMJQBHPKOKOOKR-OAQYLSRUSA-N 1 3 338.495 4.184 20 0 EIADHO CCOCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550999066 1039862096 /nfs/dbraw/zinc/86/20/96/1039862096.db2.gz HZLMNVCMSLYODK-YADHBBJMSA-N 1 3 338.495 4.148 20 0 EIADHO CCOCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550999066 1039862098 /nfs/dbraw/zinc/86/20/98/1039862098.db2.gz HZLMNVCMSLYODK-YADHBBJMSA-N 1 3 338.495 4.148 20 0 EIADHO CCOCc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550999065 1039862447 /nfs/dbraw/zinc/86/24/47/1039862447.db2.gz HZLMNVCMSLYODK-VXKWHMMOSA-N 1 3 338.495 4.148 20 0 EIADHO CCOCc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550999065 1039862449 /nfs/dbraw/zinc/86/24/49/1039862449.db2.gz HZLMNVCMSLYODK-VXKWHMMOSA-N 1 3 338.495 4.148 20 0 EIADHO CN(c1ccccc1CN1CC[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434986059 1039984577 /nfs/dbraw/zinc/98/45/77/1039984577.db2.gz MCCNCNUUAFFMCO-HSZRJFAPSA-N 1 3 349.522 4.164 20 0 EIADHO C[C@H](NCc1coc2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000551205297 1040060098 /nfs/dbraw/zinc/06/00/98/1040060098.db2.gz JBHXJTQJZKRFTE-INIZCTEOSA-N 1 3 338.451 4.224 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(F)c1 ZINC000482442759 1040251284 /nfs/dbraw/zinc/25/12/84/1040251284.db2.gz XCIACAPNNAVCIN-HKUYNNGSSA-N 1 3 326.459 4.041 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995699 1040393469 /nfs/dbraw/zinc/39/34/69/1040393469.db2.gz WWJXPZNWKYHUTC-OLZOCXBDSA-N 1 3 327.299 4.189 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995699 1040393478 /nfs/dbraw/zinc/39/34/78/1040393478.db2.gz WWJXPZNWKYHUTC-OLZOCXBDSA-N 1 3 327.299 4.189 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccco1 ZINC000482634630 1040407805 /nfs/dbraw/zinc/40/78/05/1040407805.db2.gz ZQQSJBROAVDHID-HNNXBMFYSA-N 1 3 332.875 4.496 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000482647708 1040407941 /nfs/dbraw/zinc/40/79/41/1040407941.db2.gz BMAQCEUHBIJGKV-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000482647708 1040407951 /nfs/dbraw/zinc/40/79/51/1040407951.db2.gz BMAQCEUHBIJGKV-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO COc1cc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1SC ZINC000483204025 1040759395 /nfs/dbraw/zinc/75/93/95/1040759395.db2.gz RXSIJQNSJBXHRJ-KBXCAEBGSA-N 1 3 338.561 4.434 20 0 EIADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccccc1OC(F)F ZINC000483188980 1040762083 /nfs/dbraw/zinc/76/20/83/1040762083.db2.gz YHOXJVZEFABAIP-XJKSGUPXSA-N 1 3 328.447 4.305 20 0 EIADHO CC(C)c1ccc(O[C@H](C)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000554095980 1040776985 /nfs/dbraw/zinc/77/69/85/1040776985.db2.gz UMPPHGISKIQYKR-QGZVFWFLSA-N 1 3 332.532 4.430 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485343 1040874664 /nfs/dbraw/zinc/87/46/64/1040874664.db2.gz RQPXRQZARCKAHI-PZJWPPBQSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485343 1040874672 /nfs/dbraw/zinc/87/46/72/1040874672.db2.gz RQPXRQZARCKAHI-PZJWPPBQSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485343 1040874678 /nfs/dbraw/zinc/87/46/78/1040874678.db2.gz RQPXRQZARCKAHI-PZJWPPBQSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485343 1040874683 /nfs/dbraw/zinc/87/46/83/1040874683.db2.gz RQPXRQZARCKAHI-PZJWPPBQSA-N 1 3 338.495 4.025 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436270715 1041039872 /nfs/dbraw/zinc/03/98/72/1041039872.db2.gz PIQVJZHJZXPAKU-UHFFFAOYSA-N 1 3 339.458 4.439 20 0 EIADHO c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000436299784 1041068630 /nfs/dbraw/zinc/06/86/30/1041068630.db2.gz HKHPKHDORIPZHP-TZIWHRDSSA-N 1 3 326.528 4.394 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261237 1041329015 /nfs/dbraw/zinc/32/90/15/1041329015.db2.gz XIANTHRQDXOUMZ-RHSMWYFYSA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261237 1041329021 /nfs/dbraw/zinc/32/90/21/1041329021.db2.gz XIANTHRQDXOUMZ-RHSMWYFYSA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261237 1041329044 /nfs/dbraw/zinc/32/90/44/1041329044.db2.gz XIANTHRQDXOUMZ-RHSMWYFYSA-N 1 3 328.422 4.334 20 0 EIADHO CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000538579548 1041431328 /nfs/dbraw/zinc/43/13/28/1041431328.db2.gz XACSQFSAXHDBFI-CWJKEVGVSA-N 1 3 336.564 4.213 20 0 EIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668081 1041459887 /nfs/dbraw/zinc/45/98/87/1041459887.db2.gz VDHWVBLGLJIIEX-WIYYLYMNSA-N 1 3 326.528 4.394 20 0 EIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668081 1041459890 /nfs/dbraw/zinc/45/98/90/1041459890.db2.gz VDHWVBLGLJIIEX-WIYYLYMNSA-N 1 3 326.528 4.394 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000480668810 1041461443 /nfs/dbraw/zinc/46/14/43/1041461443.db2.gz WOZCBRVWDMKCSV-NRSFXHEJSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000480668810 1041461447 /nfs/dbraw/zinc/46/14/47/1041461447.db2.gz WOZCBRVWDMKCSV-NRSFXHEJSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040592 1041616745 /nfs/dbraw/zinc/61/67/45/1041616745.db2.gz DNZHJXOMVWBMAS-LNLFQRSKSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040592 1041616747 /nfs/dbraw/zinc/61/67/47/1041616747.db2.gz DNZHJXOMVWBMAS-LNLFQRSKSA-N 1 3 341.474 4.172 20 0 EIADHO CSCc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000437093382 1041640684 /nfs/dbraw/zinc/64/06/84/1041640684.db2.gz GZAXQDNUDWBODV-UHFFFAOYSA-N 1 3 340.536 4.304 20 0 EIADHO Clc1nccc2cc(C[NH2+]C3CCN(C4CCCC4)CC3)sc21 ZINC000894328401 1041679217 /nfs/dbraw/zinc/67/92/17/1041679217.db2.gz YOMIIURDNYTFKB-UHFFFAOYSA-N 1 3 349.931 4.446 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000425914705 1041932820 /nfs/dbraw/zinc/93/28/20/1041932820.db2.gz CEVRMQYTJOCBSJ-IAGOWNOFSA-N 1 3 326.484 4.211 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)CN(C)C ZINC000425945556 1042045860 /nfs/dbraw/zinc/04/58/60/1042045860.db2.gz RHVBOGOIZNXPCT-FRFSOERESA-N 1 3 328.422 4.129 20 0 EIADHO c1ccc(OCCCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438121444 1042062668 /nfs/dbraw/zinc/06/26/68/1042062668.db2.gz PKEDYNLRPXFFJI-SIKLNZKXSA-N 1 3 342.527 4.184 20 0 EIADHO c1ccc(OCCCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438121444 1042062672 /nfs/dbraw/zinc/06/26/72/1042062672.db2.gz PKEDYNLRPXFFJI-SIKLNZKXSA-N 1 3 342.527 4.184 20 0 EIADHO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000438192921 1042085407 /nfs/dbraw/zinc/08/54/07/1042085407.db2.gz RQNMERPIXNAZLH-RBBKRZOGSA-N 1 3 326.528 4.493 20 0 EIADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000541909516 1042167094 /nfs/dbraw/zinc/16/70/94/1042167094.db2.gz ZBRIOAJLPPVCRQ-CQSZACIVSA-N 1 3 334.916 4.452 20 0 EIADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000541909516 1042167098 /nfs/dbraw/zinc/16/70/98/1042167098.db2.gz ZBRIOAJLPPVCRQ-CQSZACIVSA-N 1 3 334.916 4.452 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000426289009 1042513532 /nfs/dbraw/zinc/51/35/32/1042513532.db2.gz FJHMJMMQTCHPLV-YUXAGFNASA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000426289009 1042513539 /nfs/dbraw/zinc/51/35/39/1042513539.db2.gz FJHMJMMQTCHPLV-YUXAGFNASA-N 1 3 344.543 4.099 20 0 EIADHO Clc1cccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167963895 1042546580 /nfs/dbraw/zinc/54/65/80/1042546580.db2.gz HMZKCUMGGMNQST-YQQQUEKLSA-N 1 3 348.918 4.104 20 0 EIADHO Clc1cccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963895 1042546583 /nfs/dbraw/zinc/54/65/83/1042546583.db2.gz HMZKCUMGGMNQST-YQQQUEKLSA-N 1 3 348.918 4.104 20 0 EIADHO Cc1cc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842007 1042846530 /nfs/dbraw/zinc/84/65/30/1042846530.db2.gz NWLHYLIDLQUMBO-NQIIRXRSSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842007 1042846533 /nfs/dbraw/zinc/84/65/33/1042846533.db2.gz NWLHYLIDLQUMBO-NQIIRXRSSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(C)c1O ZINC000310842007 1042846536 /nfs/dbraw/zinc/84/65/36/1042846536.db2.gz NWLHYLIDLQUMBO-NQIIRXRSSA-N 1 3 338.495 4.009 20 0 EIADHO COCCC[NH+]1CCC(N[C@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000536420621 1042848977 /nfs/dbraw/zinc/84/89/77/1042848977.db2.gz LDUMLUIMYBSSHT-QFIPXVFZSA-N 1 3 344.543 4.278 20 0 EIADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCCC2 ZINC000766187421 1043156436 /nfs/dbraw/zinc/15/64/36/1043156436.db2.gz MMJBVNQTENXNJV-PMACEKPBSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000665249771 1043262386 /nfs/dbraw/zinc/26/23/86/1043262386.db2.gz YVAJOTAPZUHDQC-NEPJUHHUSA-N 1 3 331.287 4.010 20 0 EIADHO Nc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000665272159 1043477326 /nfs/dbraw/zinc/47/73/26/1043477326.db2.gz ZPMPOKKSJQOYJG-ADYITMSISA-N 1 3 347.506 4.041 20 0 EIADHO Nc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665272159 1043477339 /nfs/dbraw/zinc/47/73/39/1043477339.db2.gz ZPMPOKKSJQOYJG-ADYITMSISA-N 1 3 347.506 4.041 20 0 EIADHO c1ccc2c(c1)nccc2NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000521056996 1043509683 /nfs/dbraw/zinc/50/96/83/1043509683.db2.gz DCEMFOMIBHUCBT-UHFFFAOYSA-N 1 3 331.463 4.255 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)[C@H](C)C2 ZINC000665273492 1043511018 /nfs/dbraw/zinc/51/10/18/1043511018.db2.gz XYEDBKUSCRSIGP-UCMODRJZSA-N 1 3 348.490 4.074 20 0 EIADHO C[C@H](NCc1cc2ccccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681390515 1043732390 /nfs/dbraw/zinc/73/23/90/1043732390.db2.gz NDKONQWKLCBASK-FXAWDEMLSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1cc2ccccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390515 1043732401 /nfs/dbraw/zinc/73/24/01/1043732401.db2.gz NDKONQWKLCBASK-FXAWDEMLSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681390515 1043732411 /nfs/dbraw/zinc/73/24/11/1043732411.db2.gz NDKONQWKLCBASK-FXAWDEMLSA-N 1 3 333.479 4.168 20 0 EIADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000192723402 1043957213 /nfs/dbraw/zinc/95/72/13/1043957213.db2.gz JKNDZPMLFULORP-JOCHJYFZSA-N 1 3 343.559 4.020 20 0 EIADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000192723402 1043957237 /nfs/dbraw/zinc/95/72/37/1043957237.db2.gz JKNDZPMLFULORP-JOCHJYFZSA-N 1 3 343.559 4.020 20 0 EIADHO CCC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000191207876 1044279089 /nfs/dbraw/zinc/27/90/89/1044279089.db2.gz MFOAXVQKAOGAOT-IBGZPJMESA-N 1 3 332.513 4.320 20 0 EIADHO Clc1cccc2c1C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001168719147 1044409701 /nfs/dbraw/zinc/40/97/01/1044409701.db2.gz UYAWVCYYPGIPQX-QFBILLFUSA-N 1 3 344.930 4.218 20 0 EIADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001168719147 1044409710 /nfs/dbraw/zinc/40/97/10/1044409710.db2.gz UYAWVCYYPGIPQX-QFBILLFUSA-N 1 3 344.930 4.218 20 0 EIADHO C[C@H](CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)N1CCCCC1 ZINC000494976018 1044553415 /nfs/dbraw/zinc/55/34/15/1044553415.db2.gz OGVBHQSADHXCLF-LVCYWYKZSA-N 1 3 348.506 4.148 20 0 EIADHO COc1ccc2nc(CNCCCCC[NH+]3CCCCC3)sc2c1 ZINC000474362443 1044883889 /nfs/dbraw/zinc/88/38/89/1044883889.db2.gz JGKLJBOKUKWPNV-UHFFFAOYSA-N 1 3 347.528 4.051 20 0 EIADHO Clc1sccc1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397518528 1045600279 /nfs/dbraw/zinc/60/02/79/1045600279.db2.gz TUUFKSYJHVTAGM-UHFFFAOYSA-N 1 3 334.916 4.403 20 0 EIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000246890812 1045833102 /nfs/dbraw/zinc/83/31/02/1045833102.db2.gz MATZZTSUOAOGQV-YZGWKJHDSA-N 1 3 334.548 4.111 20 0 EIADHO CCCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000161593751 1046018654 /nfs/dbraw/zinc/01/86/54/1046018654.db2.gz GGSKSUSHTSLBMJ-AWEZNQCLSA-N 1 3 326.431 4.121 20 0 EIADHO C[C@H]([NH3+])[C@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261658764 1046132248 /nfs/dbraw/zinc/13/22/48/1046132248.db2.gz BLLDDEIDVFBFJL-YJBOKZPZSA-N 1 3 344.449 4.156 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000125857521 1046356329 /nfs/dbraw/zinc/35/63/29/1046356329.db2.gz JGIVLSNKGKSIEI-IXDOHACOSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000125857521 1046356344 /nfs/dbraw/zinc/35/63/44/1046356344.db2.gz JGIVLSNKGKSIEI-IXDOHACOSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000125857521 1046356358 /nfs/dbraw/zinc/35/63/58/1046356358.db2.gz JGIVLSNKGKSIEI-IXDOHACOSA-N 1 3 345.556 4.498 20 0 EIADHO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459467895 1046704369 /nfs/dbraw/zinc/70/43/69/1046704369.db2.gz QQUSBCWKZZXLKD-RBBFLIRBSA-N 1 3 326.528 4.349 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000536860570 1046828088 /nfs/dbraw/zinc/82/80/88/1046828088.db2.gz YXDMWRCWYDDBLW-KFWWJZLASA-N 1 3 342.886 4.019 20 0 EIADHO C[C@@H](CCCc1cccnc1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000459645832 1046832997 /nfs/dbraw/zinc/83/29/97/1046832997.db2.gz HOZDBUYPELEKMM-XQBPLPMBSA-N 1 3 343.559 4.426 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)C1 ZINC000459713202 1046868054 /nfs/dbraw/zinc/86/80/54/1046868054.db2.gz NZJYVQDSHMUDJQ-IDMDMSBLSA-N 1 3 328.491 4.443 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497839064 1047114789 /nfs/dbraw/zinc/11/47/89/1047114789.db2.gz FTLPMRFFWXGHGJ-UWJYYQICSA-N 1 3 330.491 4.472 20 0 EIADHO Clc1ccc2c(n1)CC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000806128392 1047153216 /nfs/dbraw/zinc/15/32/16/1047153216.db2.gz QSSBCYQLDDGBII-GOSISDBHSA-N 1 3 341.886 4.108 20 0 EIADHO CC(C)[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H](O)c1ccccc1 ZINC000788622279 1047251739 /nfs/dbraw/zinc/25/17/39/1047251739.db2.gz QPYNIWDAVGRGJV-VXKWHMMOSA-N 1 3 344.543 4.131 20 0 EIADHO CC(C)[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](O)c1ccccc1 ZINC000788622279 1047251751 /nfs/dbraw/zinc/25/17/51/1047251751.db2.gz QPYNIWDAVGRGJV-VXKWHMMOSA-N 1 3 344.543 4.131 20 0 EIADHO C[C@@H]1CC[C@@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001170119651 1047473280 /nfs/dbraw/zinc/47/32/80/1047473280.db2.gz ZJEBULXZCJTYRV-ZIAGYGMSSA-N 1 3 326.406 4.144 20 0 EIADHO COc1ccc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1OC ZINC000556871739 1048089125 /nfs/dbraw/zinc/08/91/25/1048089125.db2.gz WSCZTVCTFHVERA-YJBOKZPZSA-N 1 3 336.520 4.029 20 0 EIADHO CC[NH+]1CCC(CN[C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000556873819 1048093831 /nfs/dbraw/zinc/09/38/31/1048093831.db2.gz MAZOVGFLVKXCQG-HNNXBMFYSA-N 1 3 329.513 4.193 20 0 EIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171149491 1048482140 /nfs/dbraw/zinc/48/21/40/1048482140.db2.gz WOBJQIPDRAGXTI-OWCLPIDISA-N 1 3 341.326 4.313 20 0 EIADHO C[NH2+]Cc1ccccc1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000844904755 1048539753 /nfs/dbraw/zinc/53/97/53/1048539753.db2.gz PZTDQLDEIUZHKF-UHFFFAOYSA-N 1 3 342.792 4.368 20 0 EIADHO Cc1cc(F)ccc1-c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)o1 ZINC000237098283 1048884764 /nfs/dbraw/zinc/88/47/64/1048884764.db2.gz UCKHZGCZAWEZFB-AYHJJNSGSA-N 1 3 342.458 4.499 20 0 EIADHO c1ccc([C@@H]2OCC[C@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000191852969 1048982760 /nfs/dbraw/zinc/98/27/60/1048982760.db2.gz GNASTVXSULYUEZ-UGKGYDQZSA-N 1 3 342.527 4.151 20 0 EIADHO c1cc2c(s1)CCN(CCCC[N@@H+]1CCc3sccc3C1)C2 ZINC000077248307 1048998735 /nfs/dbraw/zinc/99/87/35/1048998735.db2.gz XZUFNPCMXLYSHU-UHFFFAOYSA-N 1 3 332.538 4.006 20 0 EIADHO c1cc2c(s1)CCN(CCCC[N@H+]1CCc3sccc3C1)C2 ZINC000077248307 1048998744 /nfs/dbraw/zinc/99/87/44/1048998744.db2.gz XZUFNPCMXLYSHU-UHFFFAOYSA-N 1 3 332.538 4.006 20 0 EIADHO Cc1cc(Cl)c2c(c1)[C@H](NCc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817950279 1049067184 /nfs/dbraw/zinc/06/71/84/1049067184.db2.gz XQWVEDYKZPTWKZ-LJQANCHMSA-N 1 3 344.886 4.153 20 0 EIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(SC(F)F)cc1 ZINC000817967985 1049072231 /nfs/dbraw/zinc/07/22/31/1049072231.db2.gz DQVAOHXAJUYRAQ-LBPRGKRZSA-N 1 3 334.435 4.455 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1CN1CCCCC1 ZINC000818359347 1049150719 /nfs/dbraw/zinc/15/07/19/1049150719.db2.gz JKPZWVDIZLATGO-PHXBYCTMSA-N 1 3 328.500 4.130 20 0 EIADHO C[NH+](C)CC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001170657878 1049343749 /nfs/dbraw/zinc/34/37/49/1049343749.db2.gz HICFQHHXLDIOAL-RXVVDRJESA-N 1 3 344.449 4.105 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001171335786 1049355597 /nfs/dbraw/zinc/35/55/97/1049355597.db2.gz ATQNHPUSZQFFND-WIYYLYMNSA-N 1 3 344.449 4.105 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171439396 1049692264 /nfs/dbraw/zinc/69/22/64/1049692264.db2.gz YKEDZPQBCRVPBI-IPMKNSEASA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171439396 1049692270 /nfs/dbraw/zinc/69/22/70/1049692270.db2.gz YKEDZPQBCRVPBI-IPMKNSEASA-N 1 3 330.491 4.022 20 0 EIADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716704538 1049701811 /nfs/dbraw/zinc/70/18/11/1049701811.db2.gz GIHUGJXMZINIDQ-MANSERQUSA-N 1 3 334.454 4.065 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1(C)C ZINC001171622873 1049767620 /nfs/dbraw/zinc/76/76/20/1049767620.db2.gz AWOUMGDUJHSJLQ-PMACEKPBSA-N 1 3 344.543 4.365 20 0 EIADHO C[NH+]1C(C)(C)CC(N[C@H]2CCC[C@@H]2OCc2ccccc2)CC1(C)C ZINC001171622873 1049767626 /nfs/dbraw/zinc/76/76/26/1049767626.db2.gz AWOUMGDUJHSJLQ-PMACEKPBSA-N 1 3 344.543 4.365 20 0 EIADHO COc1ccccc1CC1([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171627566 1049769323 /nfs/dbraw/zinc/76/93/23/1049769323.db2.gz WXJIJZHPJAXDLZ-UHFFFAOYSA-N 1 3 330.516 4.011 20 0 EIADHO COc1ccccc1CC1(NC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171627566 1049769327 /nfs/dbraw/zinc/76/93/27/1049769327.db2.gz WXJIJZHPJAXDLZ-UHFFFAOYSA-N 1 3 330.516 4.011 20 0 EIADHO CN1C(C)(C)CC([NH2+]CC2(Cc3ccccn3)CCC2)CC1(C)C ZINC001171627333 1049769540 /nfs/dbraw/zinc/76/95/40/1049769540.db2.gz PUCVQBMYHNWHKG-UHFFFAOYSA-N 1 3 329.532 4.035 20 0 EIADHO Cc1ccc(CC[C@@H](C)N2CCC([NH3+])(c3cccc(F)c3)CC2)cc1 ZINC001171666933 1049774799 /nfs/dbraw/zinc/77/47/99/1049774799.db2.gz SGJOMJAOQGETCY-GOSISDBHSA-N 1 3 340.486 4.405 20 0 EIADHO COC1(c2ccccc2)CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171642758 1049780488 /nfs/dbraw/zinc/78/04/88/1049780488.db2.gz MHBZPMADNYQXTA-UHFFFAOYSA-N 1 3 344.543 4.276 20 0 EIADHO Oc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000813790786 1049817930 /nfs/dbraw/zinc/81/79/30/1049817930.db2.gz YAQXKGLSUKHFPH-SEJPIABJSA-N 1 3 336.479 4.068 20 0 EIADHO COc1ccccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171965161 1049827003 /nfs/dbraw/zinc/82/70/03/1049827003.db2.gz OLNFHKLBJQCOQW-FQEVSTJZSA-N 1 3 338.495 4.228 20 0 EIADHO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC001171966600 1049828249 /nfs/dbraw/zinc/82/82/49/1049828249.db2.gz VTGOILNWHZNASN-FQEVSTJZSA-N 1 3 344.449 4.498 20 0 EIADHO C[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976992 1049837198 /nfs/dbraw/zinc/83/71/98/1049837198.db2.gz PLFBORXZKNMHSO-WMZOPIPTSA-N 1 3 336.470 4.407 20 0 EIADHO C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976992 1049837199 /nfs/dbraw/zinc/83/71/99/1049837199.db2.gz PLFBORXZKNMHSO-WMZOPIPTSA-N 1 3 336.470 4.407 20 0 EIADHO CC(C)(N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC001172077401 1049846553 /nfs/dbraw/zinc/84/65/53/1049846553.db2.gz QXQIDDDCSUOZRJ-KOUNCHBCSA-N 1 3 349.522 4.492 20 0 EIADHO CC(C)(N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC001172077401 1049846557 /nfs/dbraw/zinc/84/65/57/1049846557.db2.gz QXQIDDDCSUOZRJ-KOUNCHBCSA-N 1 3 349.522 4.492 20 0 EIADHO c1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cs1 ZINC001172064440 1049851673 /nfs/dbraw/zinc/85/16/73/1049851673.db2.gz GBGFHMCZRLFEED-ACDBMABISA-N 1 3 326.509 4.423 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001172103744 1049855832 /nfs/dbraw/zinc/85/58/32/1049855832.db2.gz XDUHJBGCTDZDSX-FVCCEPFGSA-N 1 3 343.334 4.177 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001172103744 1049855833 /nfs/dbraw/zinc/85/58/33/1049855833.db2.gz XDUHJBGCTDZDSX-FVCCEPFGSA-N 1 3 343.334 4.177 20 0 EIADHO FC1CC[NH+](C2CCN([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172565126 1049935777 /nfs/dbraw/zinc/93/57/77/1049935777.db2.gz RMQVGTWXXGCUSB-WIYYLYMNSA-N 1 3 330.491 4.221 20 0 EIADHO Clc1ccc2c(c1)C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172717000 1049963839 /nfs/dbraw/zinc/96/38/39/1049963839.db2.gz VAZPHKHLLIUKTF-IERDGZPVSA-N 1 3 344.930 4.218 20 0 EIADHO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001172717000 1049963843 /nfs/dbraw/zinc/96/38/43/1049963843.db2.gz VAZPHKHLLIUKTF-IERDGZPVSA-N 1 3 344.930 4.218 20 0 EIADHO C[NH+](C)CC[C@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172708948 1049971358 /nfs/dbraw/zinc/97/13/58/1049971358.db2.gz QFIOGWLBLUPARM-PMACEKPBSA-N 1 3 328.887 4.090 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248894212 1050083441 /nfs/dbraw/zinc/08/34/41/1050083441.db2.gz ZMTOUURPIPFELT-NLWGTHIKSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@H]1CCC2(CCCCC2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248894212 1050083447 /nfs/dbraw/zinc/08/34/47/1050083447.db2.gz ZMTOUURPIPFELT-NLWGTHIKSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@H]1CCC2(CCCCC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248894212 1050083453 /nfs/dbraw/zinc/08/34/53/1050083453.db2.gz ZMTOUURPIPFELT-NLWGTHIKSA-N 1 3 334.548 4.111 20 0 EIADHO COc1ccccc1[C@@H](NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000091268622 1050247823 /nfs/dbraw/zinc/24/78/23/1050247823.db2.gz RXBRVCXQQCPRHY-NRFANRHFSA-N 1 3 328.500 4.143 20 0 EIADHO CC[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC001177668756 1050274609 /nfs/dbraw/zinc/27/46/09/1050274609.db2.gz CNHNQGRCNOUQAM-FCHUYYIVSA-N 1 3 336.523 4.334 20 0 EIADHO CC[NH+](CC)C1CCC(NCc2nccc(Cl)c2Cl)CC1 ZINC001173107604 1050308241 /nfs/dbraw/zinc/30/82/41/1050308241.db2.gz YOLAVHFJELOOFR-UHFFFAOYSA-N 1 3 330.303 4.131 20 0 EIADHO CCSC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001173295230 1050398525 /nfs/dbraw/zinc/39/85/25/1050398525.db2.gz KDIDFQHYGLOBEE-OAHLLOKOSA-N 1 3 340.964 4.283 20 0 EIADHO CCSC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001173295226 1050399769 /nfs/dbraw/zinc/39/97/69/1050399769.db2.gz KCGWLKLGTUOGOG-OAHLLOKOSA-N 1 3 340.964 4.283 20 0 EIADHO Cc1cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C)c1-c1ccc(F)cc1 ZINC001206211318 1050531180 /nfs/dbraw/zinc/53/11/80/1050531180.db2.gz NJZHDJAOCWXFKH-VQTJNVASSA-N 1 3 344.449 4.371 20 0 EIADHO CCCN1C[C@@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173690878 1050544527 /nfs/dbraw/zinc/54/45/27/1050544527.db2.gz CENHUYCRFGJCRZ-CVFDLSLPSA-N 1 3 338.539 4.087 20 0 EIADHO CCCN1C[C@@H]2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173690878 1050544538 /nfs/dbraw/zinc/54/45/38/1050544538.db2.gz CENHUYCRFGJCRZ-CVFDLSLPSA-N 1 3 338.539 4.087 20 0 EIADHO CN(Cc1cccc2[nH]ccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093337027 1050570996 /nfs/dbraw/zinc/57/09/96/1050570996.db2.gz LVBNOXXXJFINIM-LJQANCHMSA-N 1 3 333.479 4.122 20 0 EIADHO CN(Cc1cccc2[nH]ccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093337027 1050571008 /nfs/dbraw/zinc/57/10/08/1050571008.db2.gz LVBNOXXXJFINIM-LJQANCHMSA-N 1 3 333.479 4.122 20 0 EIADHO C[C@@H](NCc1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152901028 1050880816 /nfs/dbraw/zinc/88/08/16/1050880816.db2.gz OSIPUDAVPJUUBW-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1CN1CCCCC1 ZINC000183200667 1051020292 /nfs/dbraw/zinc/02/02/92/1051020292.db2.gz BCULLTSCEAWBKP-MRXNPFEDSA-N 1 3 348.556 4.227 20 0 EIADHO Cc1cnccc1Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccccc1 ZINC001174539260 1051032575 /nfs/dbraw/zinc/03/25/75/1051032575.db2.gz ZYAMRGYSWWXDOW-IBGZPJMESA-N 1 3 329.447 4.133 20 0 EIADHO Cc1cnccc1Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001174539260 1051032582 /nfs/dbraw/zinc/03/25/82/1051032582.db2.gz ZYAMRGYSWWXDOW-IBGZPJMESA-N 1 3 329.447 4.133 20 0 EIADHO CC(C)(C)[C@]1(C[N@@H+]2CCCSCC2)CCN(Cc2ccccc2)C1 ZINC001180739736 1051070260 /nfs/dbraw/zinc/07/02/60/1051070260.db2.gz GVIAHDHXLKCABX-NRFANRHFSA-N 1 3 346.584 4.364 20 0 EIADHO CC(C)(C)[C@]1(C[N@H+]2CCCSCC2)CCN(Cc2ccccc2)C1 ZINC001180739736 1051070261 /nfs/dbraw/zinc/07/02/61/1051070261.db2.gz GVIAHDHXLKCABX-NRFANRHFSA-N 1 3 346.584 4.364 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC001180810303 1051087802 /nfs/dbraw/zinc/08/78/02/1051087802.db2.gz KZVSXISZRZMZFE-JKSUJKDBSA-N 1 3 342.449 4.491 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2ccc(C)o2)ccc1OC ZINC000775373242 1051160922 /nfs/dbraw/zinc/16/09/22/1051160922.db2.gz PVZPTFOGVSWLIH-KRWDZBQOSA-N 1 3 344.499 4.332 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@H]2CC=CCC2)cc1CN1CCCCC1 ZINC000775412107 1051275054 /nfs/dbraw/zinc/27/50/54/1051275054.db2.gz RXHHUVYEUOGOEK-PXNSSMCTSA-N 1 3 328.500 4.440 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2OC)ccc1OC ZINC000775416049 1051289448 /nfs/dbraw/zinc/28/94/48/1051289448.db2.gz CWDTYNUTRUWUJF-ILZDJORESA-N 1 3 348.531 4.003 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000154841476 1051341206 /nfs/dbraw/zinc/34/12/06/1051341206.db2.gz URXFISCUADPVFD-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000154841476 1051341222 /nfs/dbraw/zinc/34/12/22/1051341222.db2.gz URXFISCUADPVFD-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)ccc1SC ZINC000268843479 1051397112 /nfs/dbraw/zinc/39/71/12/1051397112.db2.gz DHNDXJXUWVLVFG-CVEARBPZSA-N 1 3 336.545 4.188 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311009192 1051453126 /nfs/dbraw/zinc/45/31/26/1051453126.db2.gz WXUZODRPQNQOLU-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2cc[nH]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311009192 1051453130 /nfs/dbraw/zinc/45/31/30/1051453130.db2.gz WXUZODRPQNQOLU-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2cc[nH]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311009192 1051453148 /nfs/dbraw/zinc/45/31/48/1051453148.db2.gz WXUZODRPQNQOLU-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521351 1051472680 /nfs/dbraw/zinc/47/26/80/1051472680.db2.gz PYFYREOFWSGLPC-GHTZIAJQSA-N 1 3 344.543 4.169 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521351 1051472689 /nfs/dbraw/zinc/47/26/89/1051472689.db2.gz PYFYREOFWSGLPC-GHTZIAJQSA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521351 1051472693 /nfs/dbraw/zinc/47/26/93/1051472693.db2.gz PYFYREOFWSGLPC-GHTZIAJQSA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521351 1051472696 /nfs/dbraw/zinc/47/26/96/1051472696.db2.gz PYFYREOFWSGLPC-GHTZIAJQSA-N 1 3 344.543 4.169 20 0 EIADHO CC(C)(C)[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC001182453369 1051582563 /nfs/dbraw/zinc/58/25/63/1051582563.db2.gz SIVZKAWBVNRCBL-XAPVIXHLSA-N 1 3 326.528 4.313 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158099006 1051709461 /nfs/dbraw/zinc/70/94/61/1051709461.db2.gz QPGLTDHJYHYLNR-NVXWUHKLSA-N 1 3 343.540 4.419 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158099006 1051709478 /nfs/dbraw/zinc/70/94/78/1051709478.db2.gz QPGLTDHJYHYLNR-NVXWUHKLSA-N 1 3 343.540 4.419 20 0 EIADHO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001183095485 1051787098 /nfs/dbraw/zinc/78/70/98/1051787098.db2.gz QFQVCZGBMOYIHX-PKOBYXMFSA-N 1 3 339.527 4.201 20 0 EIADHO C[C@@H]1C[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@@H+]1C ZINC000621765810 1051942803 /nfs/dbraw/zinc/94/28/03/1051942803.db2.gz FNJAWHFVKXRYNS-CJNGLKHVSA-N 1 3 326.406 4.157 20 0 EIADHO C[C@@H]1C[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@H+]1C ZINC000621765810 1051942815 /nfs/dbraw/zinc/94/28/15/1051942815.db2.gz FNJAWHFVKXRYNS-CJNGLKHVSA-N 1 3 326.406 4.157 20 0 EIADHO CCCC[NH+]1CCC(N[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000164476960 1052031581 /nfs/dbraw/zinc/03/15/81/1052031581.db2.gz WNRNRHCHQOVEAL-QGZVFWFLSA-N 1 3 340.515 4.096 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000164476960 1052031592 /nfs/dbraw/zinc/03/15/92/1052031592.db2.gz WNRNRHCHQOVEAL-QGZVFWFLSA-N 1 3 340.515 4.096 20 0 EIADHO CCCCN1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000164484169 1052031948 /nfs/dbraw/zinc/03/19/48/1052031948.db2.gz JPKZWJHVLANGEH-IBGZPJMESA-N 1 3 328.500 4.287 20 0 EIADHO COc1cccc2cc([C@H](C)NCc3ccc(C[NH+](C)C)cc3)oc21 ZINC000171128277 1052396321 /nfs/dbraw/zinc/39/63/21/1052396321.db2.gz UHWRZGMMOJXOPT-HNNXBMFYSA-N 1 3 338.451 4.354 20 0 EIADHO CCCOc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171133261 1052397892 /nfs/dbraw/zinc/39/78/92/1052397892.db2.gz LYUBHMNPYYJZSX-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO C[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385674 1052642119 /nfs/dbraw/zinc/64/21/19/1052642119.db2.gz XZRGTOWCEFICPH-YOEHRIQHSA-N 1 3 338.442 4.128 20 0 EIADHO C[N@H+]1CC[C@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385674 1052642121 /nfs/dbraw/zinc/64/21/21/1052642121.db2.gz XZRGTOWCEFICPH-YOEHRIQHSA-N 1 3 338.442 4.128 20 0 EIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1N(C)C ZINC000179399632 1052734515 /nfs/dbraw/zinc/73/45/15/1052734515.db2.gz NHASPOSUASBDBU-GOSISDBHSA-N 1 3 337.511 4.199 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623868151 1052830052 /nfs/dbraw/zinc/83/00/52/1052830052.db2.gz URPAZBMHSDOUTG-GFCCVEGCSA-N 1 3 344.396 4.370 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c2ccccc12 ZINC000624119588 1052867264 /nfs/dbraw/zinc/86/72/64/1052867264.db2.gz FNMQOZKBFSLDEJ-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c2ccccc12 ZINC000624119588 1052867267 /nfs/dbraw/zinc/86/72/67/1052867267.db2.gz FNMQOZKBFSLDEJ-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c2ccccc12 ZINC000624119588 1052867268 /nfs/dbraw/zinc/86/72/68/1052867268.db2.gz FNMQOZKBFSLDEJ-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO C[C@@H](NCCSc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706602 1053021090 /nfs/dbraw/zinc/02/10/90/1053021090.db2.gz DKESLWHYHAKWCM-HZPDHXFCSA-N 1 3 336.520 4.160 20 0 EIADHO C[C@@H](NCCSc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706602 1053021092 /nfs/dbraw/zinc/02/10/92/1053021092.db2.gz DKESLWHYHAKWCM-HZPDHXFCSA-N 1 3 336.520 4.160 20 0 EIADHO C[C@H](NCCSc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706621 1053021561 /nfs/dbraw/zinc/02/15/61/1053021561.db2.gz DKESLWHYHAKWCM-HOTGVXAUSA-N 1 3 336.520 4.160 20 0 EIADHO C[C@H](NCCSc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706621 1053021565 /nfs/dbraw/zinc/02/15/65/1053021565.db2.gz DKESLWHYHAKWCM-HOTGVXAUSA-N 1 3 336.520 4.160 20 0 EIADHO c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000195138970 1053052762 /nfs/dbraw/zinc/05/27/62/1053052762.db2.gz HNOFEUCVUDALQA-DENIHFKCSA-N 1 3 335.495 4.045 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000195138970 1053052767 /nfs/dbraw/zinc/05/27/67/1053052767.db2.gz HNOFEUCVUDALQA-DENIHFKCSA-N 1 3 335.495 4.045 20 0 EIADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000381195277 1053057784 /nfs/dbraw/zinc/05/77/84/1053057784.db2.gz ZVBSNEPYWJPDKP-VSKRKVRLSA-N 1 3 344.543 4.082 20 0 EIADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000381796054 1053097566 /nfs/dbraw/zinc/09/75/66/1053097566.db2.gz BNLINQCEQLABKV-ZGXWSNOMSA-N 1 3 348.481 4.312 20 0 EIADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000381796053 1053097949 /nfs/dbraw/zinc/09/79/49/1053097949.db2.gz BNLINQCEQLABKV-YSTOQKLRSA-N 1 3 348.481 4.312 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)ccn1 ZINC000850516352 1053277422 /nfs/dbraw/zinc/27/74/22/1053277422.db2.gz BTOSQUNGOSPLGX-FDFHNCONSA-N 1 3 341.543 4.242 20 0 EIADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383507522 1053346185 /nfs/dbraw/zinc/34/61/85/1053346185.db2.gz KMZPZKCAKOAWAU-PKOBYXMFSA-N 1 3 326.459 4.134 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CF)cc1 ZINC000775686402 1053568445 /nfs/dbraw/zinc/56/84/45/1053568445.db2.gz GLTHFCTUBUFUTC-LAUBAEHRSA-N 1 3 326.459 4.156 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CF)cc1 ZINC000775686402 1053568459 /nfs/dbraw/zinc/56/84/59/1053568459.db2.gz GLTHFCTUBUFUTC-LAUBAEHRSA-N 1 3 326.459 4.156 20 0 EIADHO [NH3+]CCCCCCCN1CCc2nc(-c3ccccc3)sc2C1 ZINC000852755151 1053610391 /nfs/dbraw/zinc/61/03/91/1053610391.db2.gz DWOPDRFPCDISOA-UHFFFAOYSA-N 1 3 329.513 4.077 20 0 EIADHO C[C@H](CCc1cccnc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000866249540 1053664530 /nfs/dbraw/zinc/66/45/30/1053664530.db2.gz LEWOCYYDSGSJFB-GOSISDBHSA-N 1 3 329.532 4.037 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866260913 1053667871 /nfs/dbraw/zinc/66/78/71/1053667871.db2.gz PHORDZFIMHHLHA-RTBURBONSA-N 1 3 339.527 4.266 20 0 EIADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000386432683 1053724024 /nfs/dbraw/zinc/72/40/24/1053724024.db2.gz OOEJLXSFWDMRGI-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO Cc1cc(CNCCC[N@@H+]2CCc3ccccc3C2)cc2cccnc12 ZINC001199238915 1054369892 /nfs/dbraw/zinc/36/98/92/1054369892.db2.gz WNXMOINSOXBYAP-UHFFFAOYSA-N 1 3 345.490 4.081 20 0 EIADHO Cc1cc(CNCCC[N@H+]2CCc3ccccc3C2)cc2cccnc12 ZINC001199238915 1054369902 /nfs/dbraw/zinc/36/99/02/1054369902.db2.gz WNXMOINSOXBYAP-UHFFFAOYSA-N 1 3 345.490 4.081 20 0 EIADHO CC(C)n1c2ccccc2nc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC001199336663 1054385744 /nfs/dbraw/zinc/38/57/44/1054385744.db2.gz UVYHEZNIHSKUAG-GOSISDBHSA-N 1 3 342.531 4.361 20 0 EIADHO CC(C)n1c2ccccc2nc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC001199336663 1054385753 /nfs/dbraw/zinc/38/57/53/1054385753.db2.gz UVYHEZNIHSKUAG-GOSISDBHSA-N 1 3 342.531 4.361 20 0 EIADHO c1ccc2c(c1)CCC([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001200863722 1054559259 /nfs/dbraw/zinc/55/92/59/1054559259.db2.gz HQLMEMWBMJATQZ-UHFFFAOYSA-N 1 3 326.528 4.321 20 0 EIADHO c1ccc(CCN2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201606056 1054861559 /nfs/dbraw/zinc/86/15/59/1054861559.db2.gz FKCNNUFDCUTEGW-QHCPKHFHSA-N 1 3 334.507 4.217 20 0 EIADHO c1ccc(CCN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201606056 1054861563 /nfs/dbraw/zinc/86/15/63/1054861563.db2.gz FKCNNUFDCUTEGW-QHCPKHFHSA-N 1 3 334.507 4.217 20 0 EIADHO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000877080461 1055012912 /nfs/dbraw/zinc/01/29/12/1055012912.db2.gz JELFOUXMNBLHJC-WAIKUNEKSA-N 1 3 344.480 4.096 20 0 EIADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000877080457 1055013877 /nfs/dbraw/zinc/01/38/77/1055013877.db2.gz JELFOUXMNBLHJC-HJPURHCSSA-N 1 3 344.480 4.096 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000863548092 1055228626 /nfs/dbraw/zinc/22/86/26/1055228626.db2.gz USDQNPYWSMIJRP-YESZJQIVSA-N 1 3 333.426 4.047 20 0 EIADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656914 1055533413 /nfs/dbraw/zinc/53/34/13/1055533413.db2.gz FMWKFQBMRXWOLV-RBFDBLARSA-N 1 3 338.442 4.013 20 0 EIADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656914 1055533430 /nfs/dbraw/zinc/53/34/30/1055533430.db2.gz FMWKFQBMRXWOLV-RBFDBLARSA-N 1 3 338.442 4.013 20 0 EIADHO C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2Cl)CCC[C@H]1C[NH3+] ZINC001205995737 1060511871 /nfs/dbraw/zinc/51/18/71/1060511871.db2.gz PTMFGELENJHKPF-NEPJUHHUSA-N 1 3 334.813 4.166 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)c(Cl)c1)C2 ZINC001169098955 1060637751 /nfs/dbraw/zinc/63/77/51/1060637751.db2.gz MTZWQXKZHVOKGP-CLLJXQQHSA-N 1 3 332.797 4.074 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C)c(OC)c1 ZINC000194185064 1032215386 /nfs/dbraw/zinc/21/53/86/1032215386.db2.gz AUCBJUREDHHKAO-UHFFFAOYSA-N 1 3 326.484 4.135 20 0 EIADHO Cc1ccnc(NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503716 1032414638 /nfs/dbraw/zinc/41/46/38/1032414638.db2.gz XKQUPZFVWOQRHZ-KDOFPFPSSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccnc(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503716 1032414646 /nfs/dbraw/zinc/41/46/46/1032414646.db2.gz XKQUPZFVWOQRHZ-KDOFPFPSSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccnc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503716 1032414652 /nfs/dbraw/zinc/41/46/52/1032414652.db2.gz XKQUPZFVWOQRHZ-KDOFPFPSSA-N 1 3 333.838 4.287 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529575084 1032455473 /nfs/dbraw/zinc/45/54/73/1032455473.db2.gz PTTVBMCICXBFGK-SJLPKXTDSA-N 1 3 336.470 4.312 20 0 EIADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547267 1018922406 /nfs/dbraw/zinc/92/24/06/1018922406.db2.gz BXMNXXKFJCXENZ-IAGOWNOFSA-N 1 3 339.527 4.488 20 0 EIADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548982 1018934627 /nfs/dbraw/zinc/93/46/27/1018934627.db2.gz YMLFKCHVMASXPX-YOEHRIQHSA-N 1 3 340.433 4.291 20 0 EIADHO C[C@@H](c1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661335 1032830607 /nfs/dbraw/zinc/83/06/07/1032830607.db2.gz CHIBTHAKEVSHST-MAUKXSAKSA-N 1 3 340.433 4.270 20 0 EIADHO C[C@@H](c1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661335 1032830608 /nfs/dbraw/zinc/83/06/08/1032830608.db2.gz CHIBTHAKEVSHST-MAUKXSAKSA-N 1 3 340.433 4.270 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398172921 1020514927 /nfs/dbraw/zinc/51/49/27/1020514927.db2.gz IGWVBDGHPDVTFL-KGVIQGDOSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398172921 1020514935 /nfs/dbraw/zinc/51/49/35/1020514935.db2.gz IGWVBDGHPDVTFL-KGVIQGDOSA-N 1 3 338.495 4.256 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000340466005 1021069060 /nfs/dbraw/zinc/06/90/60/1021069060.db2.gz KHFFKUFMLNFWLY-NRFANRHFSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000340466005 1021069066 /nfs/dbraw/zinc/06/90/66/1021069066.db2.gz KHFFKUFMLNFWLY-NRFANRHFSA-N 1 3 338.495 4.400 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000340470031 1021074785 /nfs/dbraw/zinc/07/47/85/1021074785.db2.gz YVBPBRCRLUBDKH-OAQYLSRUSA-N 1 3 338.495 4.401 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690505 1021098904 /nfs/dbraw/zinc/09/89/04/1021098904.db2.gz LXCNRXJQOCVLDR-REWPJTCUSA-N 1 3 349.522 4.435 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690505 1021098908 /nfs/dbraw/zinc/09/89/08/1021098908.db2.gz LXCNRXJQOCVLDR-REWPJTCUSA-N 1 3 349.522 4.435 20 0 EIADHO COc1ccccc1[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089554975 1021934886 /nfs/dbraw/zinc/93/48/86/1021934886.db2.gz LDWRYKZKUPTYLC-HTAPYJJXSA-N 1 3 338.495 4.105 20 0 EIADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1csc(-c2ccccc2)n1 ZINC000414148374 1021975751 /nfs/dbraw/zinc/97/57/51/1021975751.db2.gz NUNNHUQTWIIMJJ-OAHLLOKOSA-N 1 3 341.524 4.335 20 0 EIADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cncc(F)c1 ZINC000414148608 1021977113 /nfs/dbraw/zinc/97/71/13/1021977113.db2.gz RYMPYPDTYWCBKA-FCRQHZQGSA-N 1 3 339.458 4.067 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(NCc2cc3ccccc3[nH]2)CC1 ZINC000683927593 1021988499 /nfs/dbraw/zinc/98/84/99/1021988499.db2.gz MJDCMWUPKLFQBF-UHFFFAOYSA-N 1 3 333.479 4.231 20 0 EIADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1C(F)(F)F ZINC000414262210 1022342342 /nfs/dbraw/zinc/34/23/42/1022342342.db2.gz IHRFSUNOGUNNCZ-UHFFFAOYSA-N 1 3 336.401 4.365 20 0 EIADHO CCCCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000511537821 1022486212 /nfs/dbraw/zinc/48/62/12/1022486212.db2.gz AQBWDRGEOPXYDJ-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423366135 1022860271 /nfs/dbraw/zinc/86/02/71/1022860271.db2.gz BNTRYFRKQOARBS-YUTCNCBUSA-N 1 3 332.435 4.262 20 0 EIADHO C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000558486174 1023081982 /nfs/dbraw/zinc/08/19/82/1023081982.db2.gz RWHPSNZWPSDWOL-OMCKNOPTSA-N 1 3 338.442 4.154 20 0 EIADHO Cc1ccccc1SC[C@@H](C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001167457586 1023098656 /nfs/dbraw/zinc/09/86/56/1023098656.db2.gz FXWIEXUNKHSYHR-HKUYNNGSSA-N 1 3 332.557 4.141 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cccc3c2CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000415046478 1023409480 /nfs/dbraw/zinc/40/94/80/1023409480.db2.gz ZTYLDQFIAXMZEM-NQIIRXRSSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cccc3c2CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000415046478 1023409483 /nfs/dbraw/zinc/40/94/83/1023409483.db2.gz ZTYLDQFIAXMZEM-NQIIRXRSSA-N 1 3 349.522 4.187 20 0 EIADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075193 1023485165 /nfs/dbraw/zinc/48/51/65/1023485165.db2.gz OOSYAWYCRPPOLI-CABCVRRESA-N 1 3 328.422 4.083 20 0 EIADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075193 1023485173 /nfs/dbraw/zinc/48/51/73/1023485173.db2.gz OOSYAWYCRPPOLI-CABCVRRESA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075193 1023485180 /nfs/dbraw/zinc/48/51/80/1023485180.db2.gz OOSYAWYCRPPOLI-CABCVRRESA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075193 1023485183 /nfs/dbraw/zinc/48/51/83/1023485183.db2.gz OOSYAWYCRPPOLI-CABCVRRESA-N 1 3 328.422 4.083 20 0 EIADHO Cc1ccc(OC2CC[NH+](CC[C@H]3CCCCN3C)CC2)cc1C ZINC000472752453 1023502537 /nfs/dbraw/zinc/50/25/37/1023502537.db2.gz PRBCORPVTCIALI-LJQANCHMSA-N 1 3 330.516 4.021 20 0 EIADHO c1cc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cs1 ZINC000656786979 1023536381 /nfs/dbraw/zinc/53/63/81/1023536381.db2.gz YVOKIOBOSAQASP-HNNXBMFYSA-N 1 3 347.553 4.083 20 0 EIADHO C[C@@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210331 1023546302 /nfs/dbraw/zinc/54/63/02/1023546302.db2.gz VPKBMEDGLKRJMN-UZLBHIALSA-N 1 3 343.902 4.298 20 0 EIADHO C[C@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1cscn1 ZINC000581737912 1023658815 /nfs/dbraw/zinc/65/88/15/1023658815.db2.gz WEHQICVRNBCLHV-ZLPCBKJTSA-N 1 3 329.513 4.237 20 0 EIADHO C[C@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cscn1 ZINC000581737912 1023658821 /nfs/dbraw/zinc/65/88/21/1023658821.db2.gz WEHQICVRNBCLHV-ZLPCBKJTSA-N 1 3 329.513 4.237 20 0 EIADHO CC(C)COC1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000510640376 1024132103 /nfs/dbraw/zinc/13/21/03/1024132103.db2.gz IOAXVMLGUDMAMX-UHFFFAOYSA-N 1 3 346.559 4.282 20 0 EIADHO CC(C)COC1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000510640376 1024132126 /nfs/dbraw/zinc/13/21/26/1024132126.db2.gz IOAXVMLGUDMAMX-UHFFFAOYSA-N 1 3 346.559 4.282 20 0 EIADHO COc1ccccc1[C@H](NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000091268620 1024550629 /nfs/dbraw/zinc/55/06/29/1024550629.db2.gz RXBRVCXQQCPRHY-OAQYLSRUSA-N 1 3 328.500 4.143 20 0 EIADHO CCOc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1OCC ZINC000535811985 1024960406 /nfs/dbraw/zinc/96/04/06/1024960406.db2.gz RWOVSBMZZRFUOR-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO CCOc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1OCC ZINC000535811985 1024960419 /nfs/dbraw/zinc/96/04/19/1024960419.db2.gz RWOVSBMZZRFUOR-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463802 1025392093 /nfs/dbraw/zinc/39/20/93/1025392093.db2.gz BRZVAFHGHKPBGD-GOEBONIOSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463802 1025392111 /nfs/dbraw/zinc/39/21/11/1025392111.db2.gz BRZVAFHGHKPBGD-GOEBONIOSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463802 1025392127 /nfs/dbraw/zinc/39/21/27/1025392127.db2.gz BRZVAFHGHKPBGD-GOEBONIOSA-N 1 3 329.513 4.069 20 0 EIADHO CCC[C@@H](C(=O)c1ccccc1)N(C)[C@H](C)CCC[NH+](CC)CC ZINC001167835292 1025835378 /nfs/dbraw/zinc/83/53/78/1025835378.db2.gz RBOJGSXQGMSUTF-QUCCMNQESA-N 1 3 332.532 4.480 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415520 1025885019 /nfs/dbraw/zinc/88/50/19/1025885019.db2.gz CWESGZXCEOBIGX-ZIAGYGMSSA-N 1 3 345.314 4.145 20 0 EIADHO C[C@H]1C[N@H+](CCCN[C@@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420124 1025898202 /nfs/dbraw/zinc/89/82/02/1025898202.db2.gz IYVIVNZMTWAMQW-LAUBAEHRSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@H]1C[N@@H+](CCCN[C@@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420124 1025898205 /nfs/dbraw/zinc/89/82/05/1025898205.db2.gz IYVIVNZMTWAMQW-LAUBAEHRSA-N 1 3 348.506 4.148 20 0 EIADHO CC(C)Oc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167968600 1025904331 /nfs/dbraw/zinc/90/43/31/1025904331.db2.gz SSPCQFNOBUVGBA-SEJPIABJSA-N 1 3 342.527 4.011 20 0 EIADHO CC(C)Oc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968600 1025904356 /nfs/dbraw/zinc/90/43/56/1025904356.db2.gz SSPCQFNOBUVGBA-SEJPIABJSA-N 1 3 342.527 4.011 20 0 EIADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000319789732 1025963696 /nfs/dbraw/zinc/96/36/96/1025963696.db2.gz HRIUYHHKZPACEA-HNNXBMFYSA-N 1 3 326.431 4.061 20 0 EIADHO C[C@H](C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)CN1CCCCC1 ZINC000474601235 1027277142 /nfs/dbraw/zinc/27/71/42/1027277142.db2.gz KOWDNIACFFUQOW-IXDOHACOSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](CN[C@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000474601235 1027277154 /nfs/dbraw/zinc/27/71/54/1027277154.db2.gz KOWDNIACFFUQOW-IXDOHACOSA-N 1 3 345.556 4.500 20 0 EIADHO CC(C)Oc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1Cl ZINC000564988433 1027445890 /nfs/dbraw/zinc/44/58/90/1027445890.db2.gz HBXLDFOCTNSWHE-AWEZNQCLSA-N 1 3 332.875 4.437 20 0 EIADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000441331240 1027468076 /nfs/dbraw/zinc/46/80/76/1027468076.db2.gz NMXPITKARPHRJM-HOCLYGCPSA-N 1 3 326.431 4.155 20 0 EIADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000441331240 1027468083 /nfs/dbraw/zinc/46/80/83/1027468083.db2.gz NMXPITKARPHRJM-HOCLYGCPSA-N 1 3 326.431 4.155 20 0 EIADHO CCN(CC)Cc1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1F ZINC001167626638 1027485819 /nfs/dbraw/zinc/48/58/19/1027485819.db2.gz PZLMDSBYIKGSFL-UHFFFAOYSA-N 1 3 335.511 4.152 20 0 EIADHO CC(C)OC1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000090772058 1027582151 /nfs/dbraw/zinc/58/21/51/1027582151.db2.gz YHNWNNLOVFKNPK-KJJOEJEFSA-N 1 3 336.564 4.355 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000520460119 1028046243 /nfs/dbraw/zinc/04/62/43/1028046243.db2.gz XUCYOUUHUYTUOZ-ZQDZILKHSA-N 1 3 326.937 4.213 20 0 EIADHO Fc1cncc([C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)c1 ZINC000281137836 1028407891 /nfs/dbraw/zinc/40/78/91/1028407891.db2.gz FQUVCGXBXJZRGI-OAQYLSRUSA-N 1 3 339.458 4.057 20 0 EIADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000162901183 1028532110 /nfs/dbraw/zinc/53/21/10/1028532110.db2.gz HIDUUYLYVYRGQE-OAHLLOKOSA-N 1 3 343.540 4.461 20 0 EIADHO C[C@H](CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N1CCCCC1 ZINC000346883715 1028800229 /nfs/dbraw/zinc/80/02/29/1028800229.db2.gz YYGODXWHFVDQIZ-SVFBPWRDSA-N 1 3 330.516 4.008 20 0 EIADHO C[C@H](CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N1CCCCC1 ZINC000346883713 1028800749 /nfs/dbraw/zinc/80/07/49/1028800749.db2.gz YYGODXWHFVDQIZ-SFHLNBCPSA-N 1 3 330.516 4.008 20 0 EIADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccc(-c3csc(C)n3)cc2)C1 ZINC000343256722 1028816823 /nfs/dbraw/zinc/81/68/23/1028816823.db2.gz PWRGNGYWJCTPRT-PMUMKWKESA-N 1 3 329.513 4.109 20 0 EIADHO CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccc(-c3csc(C)n3)cc2)C1 ZINC000343256722 1028816825 /nfs/dbraw/zinc/81/68/25/1028816825.db2.gz PWRGNGYWJCTPRT-PMUMKWKESA-N 1 3 329.513 4.109 20 0 EIADHO COCCC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(F)cc1 ZINC000281880159 1028906702 /nfs/dbraw/zinc/90/67/02/1028906702.db2.gz GDLNGWTXJXLZPT-PXNSSMCTSA-N 1 3 336.495 4.003 20 0 EIADHO Cc1ccccc1C1(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000650740555 1029045078 /nfs/dbraw/zinc/04/50/78/1029045078.db2.gz MRBOPODWOUBXLX-RBBKRZOGSA-N 1 3 348.490 4.220 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000650758095 1029217186 /nfs/dbraw/zinc/21/71/86/1029217186.db2.gz ITFQKIQYJNWFDV-OAHLLOKOSA-N 1 3 338.451 4.320 20 0 EIADHO COc1cc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)ccc1SC ZINC000131215174 1029293505 /nfs/dbraw/zinc/29/35/05/1029293505.db2.gz JFOPAWGYIQDROB-HNNXBMFYSA-N 1 3 336.545 4.188 20 0 EIADHO Cc1ccccc1C1(N[C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000647316040 1029414960 /nfs/dbraw/zinc/41/49/60/1029414960.db2.gz MIROGXVAPLEXLV-GOSISDBHSA-N 1 3 338.495 4.275 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000475219443 1029452391 /nfs/dbraw/zinc/45/23/91/1029452391.db2.gz JQHFRWXYUAWFTH-CVEARBPZSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000475219443 1029452396 /nfs/dbraw/zinc/45/23/96/1029452396.db2.gz JQHFRWXYUAWFTH-CVEARBPZSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)OCc1ccccc1 ZINC000475313368 1029526259 /nfs/dbraw/zinc/52/62/59/1029526259.db2.gz PDYWFZLWAWGFBN-SFHLNBCPSA-N 1 3 344.543 4.224 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2s1 ZINC000446817220 1029580142 /nfs/dbraw/zinc/58/01/42/1029580142.db2.gz GYDWWPGMKKJUJB-BRWVUGGUSA-N 1 3 346.540 4.441 20 0 EIADHO [NH3+]C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000135883098 1030007389 /nfs/dbraw/zinc/00/73/89/1030007389.db2.gz FYTGTALTGSPCBV-UHFFFAOYSA-N 1 3 344.449 4.300 20 0 EIADHO C[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874928 1030090372 /nfs/dbraw/zinc/09/03/72/1030090372.db2.gz RSMXODSGCRGHPK-WRWLIDTKSA-N 1 3 332.919 4.392 20 0 EIADHO C[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874928 1030090374 /nfs/dbraw/zinc/09/03/74/1030090374.db2.gz RSMXODSGCRGHPK-WRWLIDTKSA-N 1 3 332.919 4.392 20 0 EIADHO C[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874927 1030092975 /nfs/dbraw/zinc/09/29/75/1030092975.db2.gz RSMXODSGCRGHPK-SYNHAJSKSA-N 1 3 332.919 4.392 20 0 EIADHO C[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000525874927 1030092987 /nfs/dbraw/zinc/09/29/87/1030092987.db2.gz RSMXODSGCRGHPK-SYNHAJSKSA-N 1 3 332.919 4.392 20 0 EIADHO FC(F)c1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000525985506 1030170461 /nfs/dbraw/zinc/17/04/61/1030170461.db2.gz WVFGMOFIUXKSAD-IBGZPJMESA-N 1 3 344.449 4.278 20 0 EIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2ccccc2c1 ZINC000685456700 1030334817 /nfs/dbraw/zinc/33/48/17/1030334817.db2.gz KPRNXAICDAIYIC-UHFFFAOYSA-N 1 3 333.479 4.319 20 0 EIADHO C[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000527111374 1030499728 /nfs/dbraw/zinc/49/97/28/1030499728.db2.gz UAGPOEQRTIZNDO-UYAOXDASSA-N 1 3 340.486 4.083 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000527232753 1030587270 /nfs/dbraw/zinc/58/72/70/1030587270.db2.gz NULCXCHTZSDAFQ-MSOLQXFVSA-N 1 3 344.543 4.431 20 0 EIADHO C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000685665253 1030662976 /nfs/dbraw/zinc/66/29/76/1030662976.db2.gz ZWTBYODIVNWVFH-DENIHFKCSA-N 1 3 344.543 4.084 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179863 1030730322 /nfs/dbraw/zinc/73/03/22/1030730322.db2.gz WUURNDQBGOEJMI-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179863 1030730340 /nfs/dbraw/zinc/73/03/40/1030730340.db2.gz WUURNDQBGOEJMI-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO Clc1ccc2c(c1)C[C@@H]1[C@@H](NC3CC[NH+](C4CCCCC4)CC3)[C@H]21 ZINC000527751446 1030843027 /nfs/dbraw/zinc/84/30/27/1030843027.db2.gz YBSMDJPBJNAFKS-PWRODBHTSA-N 1 3 344.930 4.365 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[C@H]1C ZINC000658164162 1030860427 /nfs/dbraw/zinc/86/04/27/1030860427.db2.gz MUAAOPDCAGWDCV-LQWHRVPQSA-N 1 3 329.532 4.098 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1F ZINC000658166870 1030861747 /nfs/dbraw/zinc/86/17/47/1030861747.db2.gz QIPUZONAYIIFPI-OAQYLSRUSA-N 1 3 341.474 4.174 20 0 EIADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)[C@H](C)C2 ZINC000658168499 1030866694 /nfs/dbraw/zinc/86/66/94/1030866694.db2.gz XNBGJWUZTURZRU-WZONZLPQSA-N 1 3 349.522 4.125 20 0 EIADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320003 1030981372 /nfs/dbraw/zinc/98/13/72/1030981372.db2.gz LPPXBLLDTCDEFJ-TZIWHRDSSA-N 1 3 349.522 4.343 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449038148 1031375730 /nfs/dbraw/zinc/37/57/30/1031375730.db2.gz RXBITQALKOWGSL-QGZVFWFLSA-N 1 3 341.499 4.304 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449038148 1031375747 /nfs/dbraw/zinc/37/57/47/1031375747.db2.gz RXBITQALKOWGSL-QGZVFWFLSA-N 1 3 341.499 4.304 20 0 EIADHO Cc1cc(C)c2c(c1)[C@H](NCc1cccc(C[NH+](C)C)c1)CCCO2 ZINC000123697515 1031477581 /nfs/dbraw/zinc/47/75/81/1031477581.db2.gz CWHLPFZQLNVWRL-OAQYLSRUSA-N 1 3 338.495 4.369 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cc(F)cc(F)c1 ZINC000449232838 1031564167 /nfs/dbraw/zinc/56/41/67/1031564167.db2.gz JGOXTYFLVQFORB-PMPSAXMXSA-N 1 3 336.470 4.311 20 0 EIADHO CC[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000453153555 1031630792 /nfs/dbraw/zinc/63/07/92/1031630792.db2.gz VKGGJTCVKCEZRL-WFXMLNOXSA-N 1 3 337.511 4.279 20 0 EIADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2sccc21 ZINC000453162597 1031663750 /nfs/dbraw/zinc/66/37/50/1031663750.db2.gz PBWLPFYIQKBPFZ-GRGSLBFTSA-N 1 3 348.556 4.044 20 0 EIADHO C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2sccc21 ZINC000453162595 1031665567 /nfs/dbraw/zinc/66/55/67/1031665567.db2.gz PBWLPFYIQKBPFZ-FCLVOEFKSA-N 1 3 348.556 4.044 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000453256133 1031779700 /nfs/dbraw/zinc/77/97/00/1031779700.db2.gz QQBARDLRMJOYEQ-UNMCSNQZSA-N 1 3 337.511 4.425 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000453256131 1031779938 /nfs/dbraw/zinc/77/99/38/1031779938.db2.gz QQBARDLRMJOYEQ-IRLDBZIGSA-N 1 3 337.511 4.425 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560276 1031847407 /nfs/dbraw/zinc/84/74/07/1031847407.db2.gz IVCHIWORPNMYGF-WLRQAGNGSA-N 1 3 338.417 4.324 20 0 EIADHO CCC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972393 1031909366 /nfs/dbraw/zinc/90/93/66/1031909366.db2.gz OBLIUZGOOVTXOM-RHSMWYFYSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972393 1031909372 /nfs/dbraw/zinc/90/93/72/1031909372.db2.gz OBLIUZGOOVTXOM-RHSMWYFYSA-N 1 3 328.422 4.478 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCc2ccc(F)cc21 ZINC000531993447 1031960919 /nfs/dbraw/zinc/96/09/19/1031960919.db2.gz REIDHIUROASVGN-NPFVIJTESA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCc2ccc(F)cc21 ZINC000531993447 1031960929 /nfs/dbraw/zinc/96/09/29/1031960929.db2.gz REIDHIUROASVGN-NPFVIJTESA-N 1 3 338.470 4.313 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001168264685 1032026911 /nfs/dbraw/zinc/02/69/11/1032026911.db2.gz LTKYTYDHUCOSQM-NQIIRXRSSA-N 1 3 326.528 4.433 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168264685 1032026927 /nfs/dbraw/zinc/02/69/27/1032026927.db2.gz LTKYTYDHUCOSQM-NQIIRXRSSA-N 1 3 326.528 4.433 20 0 EIADHO C[C@H](NCCc1c(F)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424368 1032055045 /nfs/dbraw/zinc/05/50/45/1032055045.db2.gz LGDLBJZRLUBRJV-LSDHHAIUSA-N 1 3 338.898 4.264 20 0 EIADHO C[C@H](NCCc1c(F)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424368 1032055057 /nfs/dbraw/zinc/05/50/57/1032055057.db2.gz LGDLBJZRLUBRJV-LSDHHAIUSA-N 1 3 338.898 4.264 20 0 EIADHO CN(CCCOc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512569909 1033382709 /nfs/dbraw/zinc/38/27/09/1033382709.db2.gz RHURTFWHMZOXSR-WCRBZPEASA-N 1 3 338.495 4.166 20 0 EIADHO CN(CCCOc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512569909 1033382721 /nfs/dbraw/zinc/38/27/21/1033382721.db2.gz RHURTFWHMZOXSR-WCRBZPEASA-N 1 3 338.495 4.166 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(-c3ccsc3)cc1)C2 ZINC000512583146 1033428750 /nfs/dbraw/zinc/42/87/50/1033428750.db2.gz QZWDVOAEEQVZFI-YOFSQIOKSA-N 1 3 326.509 4.472 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(-c3ccsc3)cc1)C2 ZINC000512583146 1033428758 /nfs/dbraw/zinc/42/87/58/1033428758.db2.gz QZWDVOAEEQVZFI-YOFSQIOKSA-N 1 3 326.509 4.472 20 0 EIADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000512632312 1033557057 /nfs/dbraw/zinc/55/70/57/1033557057.db2.gz YZSBOIQZBGAPKD-MISYRCLQSA-N 1 3 348.481 4.455 20 0 EIADHO c1cc(CN2CCC(OC3CCC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000419301992 1034138406 /nfs/dbraw/zinc/13/84/06/1034138406.db2.gz LWWLSFVKIXZZKQ-UHFFFAOYSA-N 1 3 342.527 4.206 20 0 EIADHO c1ccc2nc(CCNC3CC[NH+](C4CCCCC4)CC3)ccc2c1 ZINC000513057516 1034383337 /nfs/dbraw/zinc/38/33/37/1034383337.db2.gz MAHBCYJSJIBZHC-UHFFFAOYSA-N 1 3 337.511 4.164 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000163543265 1034480277 /nfs/dbraw/zinc/48/02/77/1034480277.db2.gz VXHNWWHIZSFGRX-MRXNPFEDSA-N 1 3 340.467 4.108 20 0 EIADHO C[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951052 1035751611 /nfs/dbraw/zinc/75/16/11/1035751611.db2.gz OBQYKHKYSRXORP-RHSMWYFYSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951052 1035751642 /nfs/dbraw/zinc/75/16/42/1035751642.db2.gz OBQYKHKYSRXORP-RHSMWYFYSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@H](CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951052 1035751678 /nfs/dbraw/zinc/75/16/78/1035751678.db2.gz OBQYKHKYSRXORP-RHSMWYFYSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc3[nH]ccc3c2)CC1 ZINC000571776359 1036249593 /nfs/dbraw/zinc/24/95/93/1036249593.db2.gz ZBSUFGTXQPUMKU-KRWDZBQOSA-N 1 3 333.479 4.483 20 0 EIADHO COc1ccc([C@@H](NCc2cccc(C[NH+](C)C)c2)C(C)C)c(F)c1 ZINC000421819389 1036774557 /nfs/dbraw/zinc/77/45/57/1036774557.db2.gz GWCXKSSQVSSKSC-NRFANRHFSA-N 1 3 344.474 4.383 20 0 EIADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1Cl ZINC000421831188 1036788028 /nfs/dbraw/zinc/78/80/28/1036788028.db2.gz DJKAUIZMBRFTIW-KLAILNCOSA-N 1 3 335.923 4.429 20 0 EIADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccc(C)o1 ZINC000669688943 1036892233 /nfs/dbraw/zinc/89/22/33/1036892233.db2.gz GGASWIXUOBEAFH-HXUWFJFHSA-N 1 3 349.563 4.167 20 0 EIADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccc(C)o1 ZINC000669688943 1036892235 /nfs/dbraw/zinc/89/22/35/1036892235.db2.gz GGASWIXUOBEAFH-HXUWFJFHSA-N 1 3 349.563 4.167 20 0 EIADHO CCOc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1F ZINC000486990715 1036936834 /nfs/dbraw/zinc/93/68/34/1036936834.db2.gz QVLXUPLZURGQSY-UHFFFAOYSA-N 1 3 344.474 4.354 20 0 EIADHO CCOc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1F ZINC000486990715 1036936853 /nfs/dbraw/zinc/93/68/53/1036936853.db2.gz QVLXUPLZURGQSY-UHFFFAOYSA-N 1 3 344.474 4.354 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271812518 1037020476 /nfs/dbraw/zinc/02/04/76/1037020476.db2.gz BAYILPDKMBTMGX-ZDUSSCGKSA-N 1 3 345.487 4.170 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271842565 1037030261 /nfs/dbraw/zinc/03/02/61/1037030261.db2.gz HEFGNJANJCOYEI-OAHLLOKOSA-N 1 3 341.524 4.339 20 0 EIADHO CN1CC=C(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000271867010 1037041410 /nfs/dbraw/zinc/04/14/10/1037041410.db2.gz LSMOULNSPCTIJP-QGZVFWFLSA-N 1 3 339.508 4.039 20 0 EIADHO FCCCCCN1CCCC2(CCC[N@H+](CCCCCF)C2)C1 ZINC000572984161 1037087790 /nfs/dbraw/zinc/08/77/90/1037087790.db2.gz QZTUPDCSXWPKHG-UHFFFAOYSA-N 1 3 330.507 4.444 20 0 EIADHO FCCCCCN1CCCC2(CCC[N@@H+](CCCCCF)C2)C1 ZINC000572984161 1037087813 /nfs/dbraw/zinc/08/78/13/1037087813.db2.gz QZTUPDCSXWPKHG-UHFFFAOYSA-N 1 3 330.507 4.444 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000590786388 1037167952 /nfs/dbraw/zinc/16/79/52/1037167952.db2.gz VDFCOONVIJRAKJ-UHFFFAOYSA-N 1 3 345.462 4.033 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000590786388 1037167956 /nfs/dbraw/zinc/16/79/56/1037167956.db2.gz VDFCOONVIJRAKJ-UHFFFAOYSA-N 1 3 345.462 4.033 20 0 EIADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000569860855 1037181242 /nfs/dbraw/zinc/18/12/42/1037181242.db2.gz MSSZQMDBIDHUDI-FDFHNCONSA-N 1 3 344.543 4.084 20 0 EIADHO Cc1nc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000272419339 1037183449 /nfs/dbraw/zinc/18/34/49/1037183449.db2.gz NATYPDVVJZRJFA-LDLYASANSA-N 1 3 341.524 4.045 20 0 EIADHO Clc1ccc(C2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168373861 1037268973 /nfs/dbraw/zinc/26/89/73/1037268973.db2.gz WDOKKGVNIISBEM-UHFFFAOYSA-N 1 3 332.919 4.394 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001168420165 1037719290 /nfs/dbraw/zinc/71/92/90/1037719290.db2.gz JTBWVIILSAUBRS-HTAPYJJXSA-N 1 3 342.502 4.093 20 0 EIADHO COc1cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422717332 1037813023 /nfs/dbraw/zinc/81/30/23/1037813023.db2.gz KQLDEQYVZVUOHS-ULQDDVLXSA-N 1 3 342.483 4.051 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000422773958 1037830140 /nfs/dbraw/zinc/83/01/40/1037830140.db2.gz ZLXBJHIPXYZSQE-JPYJTQIMSA-N 1 3 345.490 4.483 20 0 EIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422783684 1037833330 /nfs/dbraw/zinc/83/33/30/1037833330.db2.gz OQVBGFXHUUCMSH-VQIMIIECSA-N 1 3 325.500 4.301 20 0 EIADHO CCC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422765899 1037833903 /nfs/dbraw/zinc/83/39/03/1037833903.db2.gz PRRYTCUECHCNKI-VWPQPMDRSA-N 1 3 336.479 4.373 20 0 EIADHO c1csc([C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)c1 ZINC000422796663 1037835988 /nfs/dbraw/zinc/83/59/88/1037835988.db2.gz KCJYFCAMMFELOX-PWIZWCRZSA-N 1 3 340.492 4.045 20 0 EIADHO CCc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422832311 1037842860 /nfs/dbraw/zinc/84/28/60/1037842860.db2.gz FPDWOPFJRICSAD-HNNXBMFYSA-N 1 3 325.500 4.040 20 0 EIADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422868785 1037855415 /nfs/dbraw/zinc/85/54/15/1037855415.db2.gz WAUGUVVCDYFZMO-UAFMIMERSA-N 1 3 349.588 4.031 20 0 EIADHO CC[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1cccc(Cl)c1 ZINC000422927384 1037870615 /nfs/dbraw/zinc/87/06/15/1037870615.db2.gz GKJPMZSJTQCCLK-SUMWQHHRSA-N 1 3 347.890 4.010 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(OC2CCCC2)cc1 ZINC000422948015 1037885646 /nfs/dbraw/zinc/88/56/46/1037885646.db2.gz RLMMWSBPDJUXMM-HNNXBMFYSA-N 1 3 339.483 4.021 20 0 EIADHO CC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422949947 1037886588 /nfs/dbraw/zinc/88/65/88/1037886588.db2.gz VBLGWQYNYIYOFX-BXWFABGCSA-N 1 3 328.481 4.045 20 0 EIADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422982772 1037895150 /nfs/dbraw/zinc/89/51/50/1037895150.db2.gz RGPSCLCPZWDWHV-GUYCJALGSA-N 1 3 331.891 4.174 20 0 EIADHO Cc1cc([C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C2CC2)ccc1F ZINC000423015957 1037902741 /nfs/dbraw/zinc/90/27/41/1037902741.db2.gz RXHUBUWRLAXTHD-VLIAUNLRSA-N 1 3 327.447 4.098 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423025269 1037910180 /nfs/dbraw/zinc/91/01/80/1037910180.db2.gz NVQNHXBYXLOIMQ-GFCCVEGCSA-N 1 3 347.865 4.024 20 0 EIADHO Cc1cccc(C)c1[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423041196 1037919614 /nfs/dbraw/zinc/91/96/14/1037919614.db2.gz WJSURXSWENLTEE-LQBOVUBWSA-N 1 3 336.479 4.210 20 0 EIADHO N[C@@H]1C[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000423095219 1037952638 /nfs/dbraw/zinc/95/26/38/1037952638.db2.gz LQOVSEIZJIOQAA-NBLCHNQSSA-N 1 3 330.834 4.402 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423093517 1037953945 /nfs/dbraw/zinc/95/39/45/1037953945.db2.gz HWBFPTYWWUIVQD-DDUZABMNSA-N 1 3 329.875 4.099 20 0 EIADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423101825 1037961571 /nfs/dbraw/zinc/96/15/71/1037961571.db2.gz DFRGJPBIGBFZBZ-RECXWPGBSA-N 1 3 336.479 4.072 20 0 EIADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423126484 1037972948 /nfs/dbraw/zinc/97/29/48/1037972948.db2.gz IVPJBMLHGHSKPK-YRNRMSPPSA-N 1 3 346.902 4.313 20 0 EIADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423125919 1037977262 /nfs/dbraw/zinc/97/72/62/1037977262.db2.gz IMMHZPPTEPZQCR-HSALFYBXSA-N 1 3 344.886 4.067 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000423105891 1037980802 /nfs/dbraw/zinc/98/08/02/1037980802.db2.gz JCNPTQBCQNICDJ-JKSUJKDBSA-N 1 3 341.499 4.090 20 0 EIADHO CN(CCCOc1cccc(C(C)(C)C)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000607358495 1038078602 /nfs/dbraw/zinc/07/86/02/1038078602.db2.gz PGUNULQIPFHEAM-SFHVURJKSA-N 1 3 332.532 4.027 20 0 EIADHO CN(CCCOc1cccc(C(C)(C)C)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358495 1038078628 /nfs/dbraw/zinc/07/86/28/1038078628.db2.gz PGUNULQIPFHEAM-SFHVURJKSA-N 1 3 332.532 4.027 20 0 EIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc(Br)cs1 ZINC000423293464 1038096072 /nfs/dbraw/zinc/09/60/72/1038096072.db2.gz RKBDMDIJOQPFMN-WDEREUQCSA-N 1 3 339.302 4.381 20 0 EIADHO COc1cc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)ccc1SC ZINC000423295902 1038123885 /nfs/dbraw/zinc/12/38/85/1038123885.db2.gz XSQAJXOUXNRECJ-UONOGXRCSA-N 1 3 330.497 4.288 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc2c1CCCN2 ZINC000423422164 1038211729 /nfs/dbraw/zinc/21/17/29/1038211729.db2.gz YKFWFZVBRHMVBX-AVRDEDQJSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc2c1CCCN2 ZINC000423422164 1038211741 /nfs/dbraw/zinc/21/17/41/1038211741.db2.gz YKFWFZVBRHMVBX-AVRDEDQJSA-N 1 3 349.522 4.045 20 0 EIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423407286 1038217859 /nfs/dbraw/zinc/21/78/59/1038217859.db2.gz ZQCSGTRXWYMMCC-LBPRGKRZSA-N 1 3 329.513 4.203 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423444784 1038225716 /nfs/dbraw/zinc/22/57/16/1038225716.db2.gz MCXAKZSBEREZHE-AVRDEDQJSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1ccc2c(c1)CCCN2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423444784 1038225719 /nfs/dbraw/zinc/22/57/19/1038225719.db2.gz MCXAKZSBEREZHE-AVRDEDQJSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1ccc2c(c1)CCCN2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423444784 1038225732 /nfs/dbraw/zinc/22/57/32/1038225732.db2.gz MCXAKZSBEREZHE-AVRDEDQJSA-N 1 3 349.522 4.045 20 0 EIADHO [NH3+]CCC[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000423499228 1038254094 /nfs/dbraw/zinc/25/40/94/1038254094.db2.gz IZZHRZVFEBWWQT-QZTJIDSGSA-N 1 3 330.472 4.432 20 0 EIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423499461 1038254126 /nfs/dbraw/zinc/25/41/26/1038254126.db2.gz AYPYWIDUSATFRY-OXQOHEQNSA-N 1 3 326.488 4.129 20 0 EIADHO COC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423499401 1038254421 /nfs/dbraw/zinc/25/44/21/1038254421.db2.gz AVHGZUQEQWDIAM-RTBURBONSA-N 1 3 332.875 4.097 20 0 EIADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1csc(-c2ccccc2F)n1 ZINC000423484311 1038260581 /nfs/dbraw/zinc/26/05/81/1038260581.db2.gz QQUFETQSNUWWRW-UONOGXRCSA-N 1 3 333.476 4.132 20 0 EIADHO C[C@@H](N[C@@H]1CSCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924850095 1038328696 /nfs/dbraw/zinc/32/86/96/1038328696.db2.gz QURGSSKUBFBGLA-FOIQADDNSA-N 1 3 326.509 4.387 20 0 EIADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490070176 1038330625 /nfs/dbraw/zinc/33/06/25/1038330625.db2.gz WRCXGXISGHLADO-SJORKVTESA-N 1 3 347.572 4.076 20 0 EIADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490070176 1038330643 /nfs/dbraw/zinc/33/06/43/1038330643.db2.gz WRCXGXISGHLADO-SJORKVTESA-N 1 3 347.572 4.076 20 0 EIADHO C[C@H]1CCCCN1CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424266222 1038762512 /nfs/dbraw/zinc/76/25/12/1038762512.db2.gz WPYQMWFMOSTQSA-PKOBYXMFSA-N 1 3 343.540 4.281 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424274180 1038781003 /nfs/dbraw/zinc/78/10/03/1038781003.db2.gz YHKAWVXTIVDURS-IBGZPJMESA-N 1 3 343.540 4.137 20 0 EIADHO CC(C)(C[NH2+][C@@H](Cc1ccncc1)c1cccs1)CN1CCCC1 ZINC000424280943 1038789399 /nfs/dbraw/zinc/78/93/99/1038789399.db2.gz MPLVFPGAFVMOKG-SFHVURJKSA-N 1 3 343.540 4.139 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000504906340 1038846547 /nfs/dbraw/zinc/84/65/47/1038846547.db2.gz WVCDQJSVIWMDGP-XSYGEPLQSA-N 1 3 330.516 4.022 20 0 EIADHO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OCC ZINC000539269213 1038905071 /nfs/dbraw/zinc/90/50/71/1038905071.db2.gz CAWSSLQGGLLHGU-WMZOPIPTSA-N 1 3 334.504 4.009 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000414802842 1038967449 /nfs/dbraw/zinc/96/74/49/1038967449.db2.gz BWYDXRVSWRKLBI-LLVKDONJSA-N 1 3 340.801 4.251 20 0 EIADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OCC(C)C ZINC000414809737 1039032830 /nfs/dbraw/zinc/03/28/30/1039032830.db2.gz MWVMWZOAINXSLI-MRXNPFEDSA-N 1 3 342.483 4.040 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000552043412 1039063566 /nfs/dbraw/zinc/06/35/66/1039063566.db2.gz LVAHWQDGHUGHOR-SRCQZFHVSA-N 1 3 342.405 4.109 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000552043412 1039063589 /nfs/dbraw/zinc/06/35/89/1039063589.db2.gz LVAHWQDGHUGHOR-SRCQZFHVSA-N 1 3 342.405 4.109 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000552045127 1039066600 /nfs/dbraw/zinc/06/66/00/1039066600.db2.gz YVBYIPJEXDEHAD-SFHVURJKSA-N 1 3 332.532 4.037 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000481298471 1039237693 /nfs/dbraw/zinc/23/76/93/1039237693.db2.gz INBDZTSAJOQWME-LAUBAEHRSA-N 1 3 344.449 4.180 20 0 EIADHO Cc1cc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc(C)c1F ZINC000481290636 1039241223 /nfs/dbraw/zinc/24/12/23/1039241223.db2.gz AGQRORYZLWVGDR-QGZVFWFLSA-N 1 3 344.474 4.234 20 0 EIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414833973 1039278319 /nfs/dbraw/zinc/27/83/19/1039278319.db2.gz GBLBUZXNPPQJKV-JXFKEZNVSA-N 1 3 345.531 4.024 20 0 EIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414833978 1039280197 /nfs/dbraw/zinc/28/01/97/1039280197.db2.gz GBLBUZXNPPQJKV-OXQOHEQNSA-N 1 3 345.531 4.024 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)c2sccc2C)C1 ZINC000481314191 1039284305 /nfs/dbraw/zinc/28/43/05/1039284305.db2.gz BNPWDZBOPYSXCH-RBUKOAKNSA-N 1 3 328.525 4.272 20 0 EIADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000513882637 1039343081 /nfs/dbraw/zinc/34/30/81/1039343081.db2.gz MYLNQFIQCCADMP-MSOLQXFVSA-N 1 3 328.491 4.256 20 0 EIADHO c1csc([C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000091726561 1039389813 /nfs/dbraw/zinc/38/98/13/1039389813.db2.gz STOUOHJOIGLDEG-OXQOHEQNSA-N 1 3 348.556 4.070 20 0 EIADHO Cc1ccc(C)c([C@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122306558 1039661184 /nfs/dbraw/zinc/66/11/84/1039661184.db2.gz UELMAHVDWDWIRY-SFHVURJKSA-N 1 3 326.484 4.095 20 0 EIADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000481669057 1039703412 /nfs/dbraw/zinc/70/34/12/1039703412.db2.gz KDMHJYXILWLHCI-FVQBIDKESA-N 1 3 328.422 4.099 20 0 EIADHO CCOCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000122480505 1039732369 /nfs/dbraw/zinc/73/23/69/1039732369.db2.gz JUBAHWPIDOMIQB-UHFFFAOYSA-N 1 3 336.564 4.360 20 0 EIADHO Fc1ccc([C@H](NCCCCC[NH+]2CCCC2)c2cccnc2)cc1 ZINC000550882954 1039810114 /nfs/dbraw/zinc/81/01/14/1039810114.db2.gz UDVPIZLAZNWBJJ-NRFANRHFSA-N 1 3 341.474 4.166 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000481909783 1039896499 /nfs/dbraw/zinc/89/64/99/1039896499.db2.gz PFMOXEYTTHUZDY-SFHVURJKSA-N 1 3 332.532 4.037 20 0 EIADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000481956887 1039913766 /nfs/dbraw/zinc/91/37/66/1039913766.db2.gz DZPZXAXJNDIZSH-ROUUACIJSA-N 1 3 326.484 4.256 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000482328903 1040181613 /nfs/dbraw/zinc/18/16/13/1040181613.db2.gz IVLIDVYIAYJZSV-QAPCUYQASA-N 1 3 340.458 4.449 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000668027540 1040223831 /nfs/dbraw/zinc/22/38/31/1040223831.db2.gz LJTFRRAABAJKHB-UHFFFAOYSA-N 1 3 341.524 4.179 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000668027540 1040223843 /nfs/dbraw/zinc/22/38/43/1040223843.db2.gz LJTFRRAABAJKHB-UHFFFAOYSA-N 1 3 341.524 4.179 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443012 1040251728 /nfs/dbraw/zinc/25/17/28/1040251728.db2.gz FCYNTBQBECHXDS-RBUKOAKNSA-N 1 3 328.525 4.353 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443012 1040251736 /nfs/dbraw/zinc/25/17/36/1040251736.db2.gz FCYNTBQBECHXDS-RBUKOAKNSA-N 1 3 328.525 4.353 20 0 EIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000482462790 1040272314 /nfs/dbraw/zinc/27/23/14/1040272314.db2.gz XMIQLEIDEPGICQ-HKUYNNGSSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000482462790 1040272334 /nfs/dbraw/zinc/27/23/34/1040272334.db2.gz XMIQLEIDEPGICQ-HKUYNNGSSA-N 1 3 328.525 4.272 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(CC)cc2)[C@H](C)C1 ZINC000479876915 1040740877 /nfs/dbraw/zinc/74/08/77/1040740877.db2.gz VJCIZYFQVPBEGG-OPYAIIAOSA-N 1 3 332.532 4.037 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(CC)cc2)[C@H](C)C1 ZINC000479876915 1040740891 /nfs/dbraw/zinc/74/08/91/1040740891.db2.gz VJCIZYFQVPBEGG-OPYAIIAOSA-N 1 3 332.532 4.037 20 0 EIADHO COc1cc(C)c([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000483186475 1040764594 /nfs/dbraw/zinc/76/45/94/1040764594.db2.gz UWQQKGYNCZKONE-KXBFYZLASA-N 1 3 336.520 4.029 20 0 EIADHO CC[N@@H+](Cc1sccc1OC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539862912 1040848925 /nfs/dbraw/zinc/84/89/25/1040848925.db2.gz QFUAQMYIXRHCNN-SFHVURJKSA-N 1 3 344.524 4.101 20 0 EIADHO CC[N@H+](Cc1sccc1OC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539862912 1040848933 /nfs/dbraw/zinc/84/89/33/1040848933.db2.gz QFUAQMYIXRHCNN-SFHVURJKSA-N 1 3 344.524 4.101 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485339 1040874322 /nfs/dbraw/zinc/87/43/22/1040874322.db2.gz RQPXRQZARCKAHI-FPOVZHCZSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485339 1040874336 /nfs/dbraw/zinc/87/43/36/1040874336.db2.gz RQPXRQZARCKAHI-FPOVZHCZSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485339 1040874337 /nfs/dbraw/zinc/87/43/37/1040874337.db2.gz RQPXRQZARCKAHI-FPOVZHCZSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485339 1040874338 /nfs/dbraw/zinc/87/43/38/1040874338.db2.gz RQPXRQZARCKAHI-FPOVZHCZSA-N 1 3 338.495 4.025 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436229208 1040977855 /nfs/dbraw/zinc/97/78/55/1040977855.db2.gz DLSFTVJJOSKCIR-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436229208 1040977872 /nfs/dbraw/zinc/97/78/72/1040977872.db2.gz DLSFTVJJOSKCIR-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735970 1040990949 /nfs/dbraw/zinc/99/09/49/1040990949.db2.gz XOWGQNLGAYOVEB-IPYPFGDCSA-N 1 3 328.472 4.177 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735970 1040990966 /nfs/dbraw/zinc/99/09/66/1040990966.db2.gz XOWGQNLGAYOVEB-IPYPFGDCSA-N 1 3 328.472 4.177 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729138 1040997327 /nfs/dbraw/zinc/99/73/27/1040997327.db2.gz OLWXYLCKDDCTBF-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729138 1040997354 /nfs/dbraw/zinc/99/73/54/1040997354.db2.gz OLWXYLCKDDCTBF-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCN1CCCC1 ZINC000480147766 1041005844 /nfs/dbraw/zinc/00/58/44/1041005844.db2.gz KYTYJCBSJRAXIG-AWEZNQCLSA-N 1 3 347.503 4.394 20 0 EIADHO C[N@@H+]1CCC[C@H](CNc2ccnc3ccccc32)[C@@H]1c1cccs1 ZINC000462880165 1041062758 /nfs/dbraw/zinc/06/27/58/1041062758.db2.gz AYCYIJGZNYDHIW-FOIQADDNSA-N 1 3 337.492 4.213 20 0 EIADHO C[N@H+]1CCC[C@H](CNc2ccnc3ccccc32)[C@@H]1c1cccs1 ZINC000462880165 1041062772 /nfs/dbraw/zinc/06/27/72/1041062772.db2.gz AYCYIJGZNYDHIW-FOIQADDNSA-N 1 3 337.492 4.213 20 0 EIADHO CCOc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1OC ZINC000924654655 1041088544 /nfs/dbraw/zinc/08/85/44/1041088544.db2.gz DVUBSUDTUKFKQT-MRXNPFEDSA-N 1 3 342.483 4.006 20 0 EIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000538163078 1041106259 /nfs/dbraw/zinc/10/62/59/1041106259.db2.gz PVHRFOXCJHKESP-GOEBONIOSA-N 1 3 344.421 4.153 20 0 EIADHO CCc1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000515805898 1041127825 /nfs/dbraw/zinc/12/78/25/1041127825.db2.gz KSFNTXBXSBHECB-UHFFFAOYSA-N 1 3 349.522 4.132 20 0 EIADHO CCc1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000515805898 1041127843 /nfs/dbraw/zinc/12/78/43/1041127843.db2.gz KSFNTXBXSBHECB-UHFFFAOYSA-N 1 3 349.522 4.132 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(Cl)c1Cl ZINC000484292345 1041196317 /nfs/dbraw/zinc/19/63/17/1041196317.db2.gz CVCIYOQSEOWRJX-OLZOCXBDSA-N 1 3 333.303 4.001 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2c1cccc2OC ZINC000480473251 1041326713 /nfs/dbraw/zinc/32/67/13/1041326713.db2.gz SNFDFLZJMDHDLU-NRFANRHFSA-N 1 3 338.495 4.314 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000480668809 1041461542 /nfs/dbraw/zinc/46/15/42/1041461542.db2.gz WOZCBRVWDMKCSV-LAVFITLUSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000480668809 1041461548 /nfs/dbraw/zinc/46/15/48/1041461548.db2.gz WOZCBRVWDMKCSV-LAVFITLUSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2(Cc3ccccc3)CC2)CC1 ZINC000480689174 1041472858 /nfs/dbraw/zinc/47/28/58/1041472858.db2.gz MBMGMIIJJJBMKF-RXVVDRJESA-N 1 3 326.528 4.394 20 0 EIADHO C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000538704671 1041496734 /nfs/dbraw/zinc/49/67/34/1041496734.db2.gz VTZKZYYHOUOBFC-QAPCUYQASA-N 1 3 341.524 4.021 20 0 EIADHO C[C@H](Cc1ccsc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541234372 1041859529 /nfs/dbraw/zinc/85/95/29/1041859529.db2.gz DXGODMGBKMCXES-XLIONFOSSA-N 1 3 328.525 4.133 20 0 EIADHO C[C@H](Cc1ccsc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541234372 1041859541 /nfs/dbraw/zinc/85/95/41/1041859541.db2.gz DXGODMGBKMCXES-XLIONFOSSA-N 1 3 328.525 4.133 20 0 EIADHO C[C@H](C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)CN(C)C ZINC000425945560 1042046125 /nfs/dbraw/zinc/04/61/25/1042046125.db2.gz RHVBOGOIZNXPCT-KMFMINBZSA-N 1 3 328.422 4.129 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000426289007 1042513954 /nfs/dbraw/zinc/51/39/54/1042513954.db2.gz FJHMJMMQTCHPLV-STZQEDGTSA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000426289007 1042513963 /nfs/dbraw/zinc/51/39/63/1042513963.db2.gz FJHMJMMQTCHPLV-STZQEDGTSA-N 1 3 344.543 4.099 20 0 EIADHO C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415005040 1042788161 /nfs/dbraw/zinc/78/81/61/1042788161.db2.gz OPBYEGCRVAZYDH-ZAAXVRCTSA-N 1 3 346.515 4.191 20 0 EIADHO C[C@H](N[C@H]1CCc2cc(F)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311145900 1042853625 /nfs/dbraw/zinc/85/36/25/1042853625.db2.gz ZLARZIMBKPEGNL-NBCNXNJRSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H](N[C@H]1CCc2cc(F)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311145900 1042853629 /nfs/dbraw/zinc/85/36/29/1042853629.db2.gz ZLARZIMBKPEGNL-NBCNXNJRSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H]([NH2+]Cc1ccnc2ccccc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000388842126 1043062357 /nfs/dbraw/zinc/06/23/57/1043062357.db2.gz YFOLSSDRRPBLHW-RXVVDRJESA-N 1 3 345.490 4.235 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000219151062 1043195060 /nfs/dbraw/zinc/19/50/60/1043195060.db2.gz UXJLPBQDWNPONE-AWEZNQCLSA-N 1 3 339.321 4.220 20 0 EIADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186320950 1043268455 /nfs/dbraw/zinc/26/84/55/1043268455.db2.gz HEWLSXITCBHJEJ-GCJKJVERSA-N 1 3 343.559 4.065 20 0 EIADHO Cc1cscc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000494448262 1043489956 /nfs/dbraw/zinc/48/99/56/1043489956.db2.gz FJLVDSWIAOSEGE-OWZKRDHZSA-N 1 3 326.509 4.342 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)[C@H](C)C2 ZINC000665273489 1043508997 /nfs/dbraw/zinc/50/89/97/1043508997.db2.gz XYEDBKUSCRSIGP-AAEGSUEWSA-N 1 3 348.490 4.074 20 0 EIADHO C[C@@H](NCc1cc2ccccc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681390519 1043731394 /nfs/dbraw/zinc/73/13/94/1043731394.db2.gz NDKONQWKLCBASK-XLIONFOSSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1cc2ccccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390519 1043731408 /nfs/dbraw/zinc/73/14/08/1043731408.db2.gz NDKONQWKLCBASK-XLIONFOSSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681390519 1043731423 /nfs/dbraw/zinc/73/14/23/1043731423.db2.gz NDKONQWKLCBASK-XLIONFOSSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1cc2ccccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681390521 1043731497 /nfs/dbraw/zinc/73/14/97/1043731497.db2.gz NDKONQWKLCBASK-YLJYHZDGSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1cc2ccccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390521 1043731506 /nfs/dbraw/zinc/73/15/06/1043731506.db2.gz NDKONQWKLCBASK-YLJYHZDGSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681390521 1043731518 /nfs/dbraw/zinc/73/15/18/1043731518.db2.gz NDKONQWKLCBASK-YLJYHZDGSA-N 1 3 333.479 4.168 20 0 EIADHO CC(C)[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000542487826 1043799136 /nfs/dbraw/zinc/79/91/36/1043799136.db2.gz HPTICCGNSLVHSQ-KXBFYZLASA-N 1 3 345.487 4.085 20 0 EIADHO C[NH+](C)Cc1cccc(CNCc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000731676592 1043814557 /nfs/dbraw/zinc/81/45/57/1043814557.db2.gz BQZJAEJTNZBWEV-UHFFFAOYSA-N 1 3 338.495 4.142 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1F ZINC000658166868 1043942653 /nfs/dbraw/zinc/94/26/53/1043942653.db2.gz QIPUZONAYIIFPI-NRFANRHFSA-N 1 3 341.474 4.174 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2cnn(C(C)C)c2)CC1)CC(C)C ZINC000521942355 1044094008 /nfs/dbraw/zinc/09/40/08/1044094008.db2.gz ISSSOSYYRRAHLK-UHFFFAOYSA-N 1 3 334.552 4.044 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2cnn(C(C)C)c2)CC1)CC(C)C ZINC000521942355 1044094027 /nfs/dbraw/zinc/09/40/27/1044094027.db2.gz ISSSOSYYRRAHLK-UHFFFAOYSA-N 1 3 334.552 4.044 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000474049026 1044297717 /nfs/dbraw/zinc/29/77/17/1044297717.db2.gz ZJQQSWRVVATHJF-HXUWFJFHSA-N 1 3 330.516 4.128 20 0 EIADHO c1coc([C@@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000326894897 1044324085 /nfs/dbraw/zinc/32/40/85/1044324085.db2.gz JEWCWBHSKWDJKL-NRFANRHFSA-N 1 3 333.435 4.023 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1 ZINC000348008046 1044361388 /nfs/dbraw/zinc/36/13/88/1044361388.db2.gz OESZMOOTNXPZQK-JXFKEZNVSA-N 1 3 342.531 4.198 20 0 EIADHO C[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000542518627 1044450268 /nfs/dbraw/zinc/45/02/68/1044450268.db2.gz YAQCJYSMFXEDPK-OFNKIYASSA-N 1 3 336.523 4.019 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000494880546 1044468030 /nfs/dbraw/zinc/46/80/30/1044468030.db2.gz SNLZLVMODBMLOP-OPYAIIAOSA-N 1 3 348.506 4.148 20 0 EIADHO CC[NH+]1CCC(CCN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543402731 1044525495 /nfs/dbraw/zinc/52/54/95/1044525495.db2.gz NARGIGBEIFUSKD-NRFANRHFSA-N 1 3 341.474 4.022 20 0 EIADHO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000474356180 1044880671 /nfs/dbraw/zinc/88/06/71/1044880671.db2.gz NBSCGXFVLUWUTL-UHFFFAOYSA-N 1 3 334.866 4.393 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166463882 1044973401 /nfs/dbraw/zinc/97/34/01/1044973401.db2.gz RPAJFLJHLSUMIE-IAGOWNOFSA-N 1 3 340.433 4.199 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166463882 1044973412 /nfs/dbraw/zinc/97/34/12/1044973412.db2.gz RPAJFLJHLSUMIE-IAGOWNOFSA-N 1 3 340.433 4.199 20 0 EIADHO CC(C)[N@H+](C)CCCNC1CC(c2cccc(Br)c2)C1 ZINC000232653163 1044983777 /nfs/dbraw/zinc/98/37/77/1044983777.db2.gz LSZCVYMRXBXVFP-UHFFFAOYSA-N 1 3 339.321 4.015 20 0 EIADHO CC(C)[N@@H+](C)CCCNC1CC(c2cccc(Br)c2)C1 ZINC000232653163 1044983786 /nfs/dbraw/zinc/98/37/86/1044983786.db2.gz LSZCVYMRXBXVFP-UHFFFAOYSA-N 1 3 339.321 4.015 20 0 EIADHO CC(C)N(C)CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000232653163 1044983794 /nfs/dbraw/zinc/98/37/94/1044983794.db2.gz LSZCVYMRXBXVFP-UHFFFAOYSA-N 1 3 339.321 4.015 20 0 EIADHO Cc1nc([C@H](C)N2CC[C@@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000923480071 1045132239 /nfs/dbraw/zinc/13/22/39/1045132239.db2.gz DULRNROEFBNKEI-UONOGXRCSA-N 1 3 333.863 4.035 20 0 EIADHO C[C@H]([NH2+]Cc1scnc1C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000487567672 1045227246 /nfs/dbraw/zinc/22/72/46/1045227246.db2.gz YJPUMVZNOLODDQ-MAUKXSAKSA-N 1 3 341.524 4.021 20 0 EIADHO C[C@@H]([NH2+]Cc1scnc1C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000487567670 1045228616 /nfs/dbraw/zinc/22/86/16/1045228616.db2.gz YJPUMVZNOLODDQ-CRAIPNDOSA-N 1 3 341.524 4.021 20 0 EIADHO Cc1ccc([C@@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000237410162 1045383729 /nfs/dbraw/zinc/38/37/29/1045383729.db2.gz VPZOSECVWQZCCH-QGZVFWFLSA-N 1 3 326.459 4.449 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1C(F)(F)F ZINC000768230541 1045761338 /nfs/dbraw/zinc/76/13/38/1045761338.db2.gz RGBPOUXGFCHVAV-UHFFFAOYSA-N 1 3 336.401 4.399 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(F)c1 ZINC000398050261 1045826725 /nfs/dbraw/zinc/82/67/25/1045826725.db2.gz XICDCJDPPBXVGM-LLGFUMIMSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(F)c1 ZINC000398050261 1045826730 /nfs/dbraw/zinc/82/67/30/1045826730.db2.gz XICDCJDPPBXVGM-LLGFUMIMSA-N 1 3 326.459 4.387 20 0 EIADHO FC(F)C1CC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000768686537 1045833050 /nfs/dbraw/zinc/83/30/50/1045833050.db2.gz NCZTVUOKXANLDS-UHFFFAOYSA-N 1 3 342.861 4.185 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000037150102 1046013019 /nfs/dbraw/zinc/01/30/19/1046013019.db2.gz OTAGMMKMWMZPQG-CQSZACIVSA-N 1 3 339.321 4.364 20 0 EIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000162584164 1046365402 /nfs/dbraw/zinc/36/54/02/1046365402.db2.gz GRYWMYYJDILCCK-HNNXBMFYSA-N 1 3 332.875 4.131 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000536678537 1046665528 /nfs/dbraw/zinc/66/55/28/1046665528.db2.gz CASQGRBTSJJWQA-IUODEOHRSA-N 1 3 346.849 4.104 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000536678537 1046665539 /nfs/dbraw/zinc/66/55/39/1046665539.db2.gz CASQGRBTSJJWQA-IUODEOHRSA-N 1 3 346.849 4.104 20 0 EIADHO c1ccc(COCCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000127433302 1046672199 /nfs/dbraw/zinc/67/21/99/1046672199.db2.gz RRSJIPVOLJZSES-UHFFFAOYSA-N 1 3 344.543 4.370 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3cc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379618870 1046709020 /nfs/dbraw/zinc/70/90/20/1046709020.db2.gz AULDSWBTRGOMNB-LAUBAEHRSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3cc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000379618870 1046709039 /nfs/dbraw/zinc/70/90/39/1046709039.db2.gz AULDSWBTRGOMNB-LAUBAEHRSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000536859342 1046826516 /nfs/dbraw/zinc/82/65/16/1046826516.db2.gz RZNWUVUMFNCUKQ-OTWHNJEPSA-N 1 3 340.511 4.380 20 0 EIADHO CC(C)C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000536858765 1046826918 /nfs/dbraw/zinc/82/69/18/1046826918.db2.gz RROCLULKLLAEJZ-KSZLIROESA-N 1 3 338.561 4.314 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000536880459 1046842490 /nfs/dbraw/zinc/84/24/90/1046842490.db2.gz BCTFRNNZNYPUDG-UHFFFAOYSA-N 1 3 329.315 4.388 20 0 EIADHO CC(C)(C)[NH+]1CCC(NCCc2cccc(Cl)c2Cl)CC1 ZINC000536880459 1046842493 /nfs/dbraw/zinc/84/24/93/1046842493.db2.gz BCTFRNNZNYPUDG-UHFFFAOYSA-N 1 3 329.315 4.388 20 0 EIADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000129558819 1047429970 /nfs/dbraw/zinc/42/99/70/1047429970.db2.gz XDIOEDIIAWMGDD-NVXWUHKLSA-N 1 3 332.454 4.352 20 0 EIADHO C[C@H](N[C@H](c1ccncc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898322424 1047616640 /nfs/dbraw/zinc/61/66/40/1047616640.db2.gz KZRGPLZIMLCPAU-WTOYTKOKSA-N 1 3 335.495 4.033 20 0 EIADHO C[C@H](N[C@H](c1ccncc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898322424 1047616654 /nfs/dbraw/zinc/61/66/54/1047616654.db2.gz KZRGPLZIMLCPAU-WTOYTKOKSA-N 1 3 335.495 4.033 20 0 EIADHO Clc1ccc(Cl)c(CNC2CCC3(C[NH2+]C3)CC2)c1Cl ZINC001246348564 1047922021 /nfs/dbraw/zinc/92/20/21/1047922021.db2.gz SCPKICLNVDOUDI-UHFFFAOYSA-N 1 3 333.690 4.269 20 0 EIADHO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000131736725 1048127662 /nfs/dbraw/zinc/12/76/62/1048127662.db2.gz SLCYCWBSCSUGOZ-FXAWDEMLSA-N 1 3 336.564 4.214 20 0 EIADHO CCc1ccc(-c2nc(CN(C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000844220471 1048225817 /nfs/dbraw/zinc/22/58/17/1048225817.db2.gz DRMXKHFREXUYLI-UHFFFAOYSA-N 1 3 329.513 4.074 20 0 EIADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCCOC2CCCCC2)C3)cc1 ZINC000499147823 1048355154 /nfs/dbraw/zinc/35/51/54/1048355154.db2.gz QTWSIFAEBHATIJ-MZADTFQBSA-N 1 3 342.527 4.121 20 0 EIADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCOC2CCCCC2)C3)cc1 ZINC000499147823 1048355170 /nfs/dbraw/zinc/35/51/70/1048355170.db2.gz QTWSIFAEBHATIJ-MZADTFQBSA-N 1 3 342.527 4.121 20 0 EIADHO Oc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499153566 1048362529 /nfs/dbraw/zinc/36/25/29/1048362529.db2.gz RVFXRCBDDJZJFB-NXWNEQKCSA-N 1 3 348.490 4.165 20 0 EIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171149490 1048482870 /nfs/dbraw/zinc/48/28/70/1048482870.db2.gz WOBJQIPDRAGXTI-HRCADAONSA-N 1 3 341.326 4.313 20 0 EIADHO COc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000809738164 1048510460 /nfs/dbraw/zinc/51/04/60/1048510460.db2.gz RTYOLRGORWNMFX-UHFFFAOYSA-N 1 3 332.875 4.042 20 0 EIADHO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cccc5cc[nH]c54)C[C@@H]3C2)cc1 ZINC001144712434 1048813651 /nfs/dbraw/zinc/81/36/51/1048813651.db2.gz XLAYIONMLXJDRA-VXKWHMMOSA-N 1 3 345.490 4.040 20 0 EIADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(CC[NH3+])cc1)CCS2 ZINC000817949448 1049065239 /nfs/dbraw/zinc/06/52/39/1049065239.db2.gz QXPOPEABAKGWPE-LJQANCHMSA-N 1 3 326.509 4.131 20 0 EIADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000817961133 1049070382 /nfs/dbraw/zinc/07/03/82/1049070382.db2.gz UTADKXXEELJCAZ-NTYOPAKOSA-N 1 3 344.543 4.047 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(SC(F)F)cc1 ZINC000817967984 1049073253 /nfs/dbraw/zinc/07/32/53/1049073253.db2.gz DQVAOHXAJUYRAQ-GFCCVEGCSA-N 1 3 334.435 4.455 20 0 EIADHO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001171353216 1049506361 /nfs/dbraw/zinc/50/63/61/1049506361.db2.gz FECBCHIXLRHQEL-IBGZPJMESA-N 1 3 348.481 4.066 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389389 1049601552 /nfs/dbraw/zinc/60/15/52/1049601552.db2.gz STKBZOJBHIFBSU-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389389 1049601568 /nfs/dbraw/zinc/60/15/68/1049601568.db2.gz STKBZOJBHIFBSU-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@H](C)C1 ZINC000081096714 1049625584 /nfs/dbraw/zinc/62/55/84/1049625584.db2.gz FJRCTWKZTARRIK-RDTXWAMCSA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@H](C)C1 ZINC000081096714 1049625593 /nfs/dbraw/zinc/62/55/93/1049625593.db2.gz FJRCTWKZTARRIK-RDTXWAMCSA-N 1 3 331.891 4.050 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171439395 1049692786 /nfs/dbraw/zinc/69/27/86/1049692786.db2.gz YKEDZPQBCRVPBI-GBESFXJTSA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171439395 1049692788 /nfs/dbraw/zinc/69/27/88/1049692788.db2.gz YKEDZPQBCRVPBI-GBESFXJTSA-N 1 3 330.491 4.022 20 0 EIADHO FC1(F)CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716629299 1049700979 /nfs/dbraw/zinc/70/09/79/1049700979.db2.gz YFYJBWDGYJSGDB-MANSERQUSA-N 1 3 334.454 4.207 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001171454970 1049710730 /nfs/dbraw/zinc/71/07/30/1049710730.db2.gz XXYISNKAVNGLTM-GHTZIAJQSA-N 1 3 344.449 4.105 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@@H](C)C1 ZINC000245416665 1049712922 /nfs/dbraw/zinc/71/29/22/1049712922.db2.gz FJRCTWKZTARRIK-KBXCAEBGSA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@@H](C)C1 ZINC000245416665 1049712942 /nfs/dbraw/zinc/71/29/42/1049712942.db2.gz FJRCTWKZTARRIK-KBXCAEBGSA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@@H](C)C1 ZINC000245416666 1049713668 /nfs/dbraw/zinc/71/36/68/1049713668.db2.gz FJRCTWKZTARRIK-KSSFIOAISA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@@H](C)C1 ZINC000245416666 1049713683 /nfs/dbraw/zinc/71/36/83/1049713683.db2.gz FJRCTWKZTARRIK-KSSFIOAISA-N 1 3 331.891 4.050 20 0 EIADHO CN1C(C)(C)CC([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1(C)C ZINC001171630301 1049762254 /nfs/dbraw/zinc/76/22/54/1049762254.db2.gz LTYTYQXRQJVFIA-UHFFFAOYSA-N 1 3 332.507 4.389 20 0 EIADHO COc1ccc([C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C2CC2)cc1 ZINC001171622869 1049767961 /nfs/dbraw/zinc/76/79/61/1049767961.db2.gz AUDRITFUUCMPNR-IBGZPJMESA-N 1 3 330.516 4.387 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CC1(C)C ZINC001171624834 1049768393 /nfs/dbraw/zinc/76/83/93/1049768393.db2.gz ZIFPUZRZTOENIV-QGZVFWFLSA-N 1 3 334.935 4.438 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1(C)C ZINC001171636457 1049779833 /nfs/dbraw/zinc/77/98/33/1049779833.db2.gz DSRZTUKTEHUPDA-LJQANCHMSA-N 1 3 330.516 4.181 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1(C)C ZINC001171636457 1049779840 /nfs/dbraw/zinc/77/98/40/1049779840.db2.gz DSRZTUKTEHUPDA-LJQANCHMSA-N 1 3 330.516 4.181 20 0 EIADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001171964289 1049825186 /nfs/dbraw/zinc/82/51/86/1049825186.db2.gz LXPGIXCVDNERRR-AWEZNQCLSA-N 1 3 340.433 4.230 20 0 EIADHO Cc1ccnc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962618 1049825351 /nfs/dbraw/zinc/82/53/51/1049825351.db2.gz CGXCOJPUNHNCOU-QUCCMNQESA-N 1 3 337.511 4.484 20 0 EIADHO Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC001172063062 1049850154 /nfs/dbraw/zinc/85/01/54/1049850154.db2.gz VXHVOYYYRINMCP-KOUNCHBCSA-N 1 3 335.495 4.065 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001172101922 1049855933 /nfs/dbraw/zinc/85/59/33/1049855933.db2.gz IFZYVMNGYGQUCZ-KOUNCHBCSA-N 1 3 348.490 4.023 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(c3ccc(F)cc3F)CC1)C2 ZINC001172129480 1049858510 /nfs/dbraw/zinc/85/85/10/1049858510.db2.gz AWGCJPVHDUXAMC-PIIMJCKOSA-N 1 3 334.454 4.160 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(c3ccc(F)cc3F)CC1)C2 ZINC001172129480 1049858512 /nfs/dbraw/zinc/85/85/12/1049858512.db2.gz AWGCJPVHDUXAMC-PIIMJCKOSA-N 1 3 334.454 4.160 20 0 EIADHO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172353290 1049893238 /nfs/dbraw/zinc/89/32/38/1049893238.db2.gz MRBISUBCKLSHFM-WOJBJXKFSA-N 1 3 344.543 4.178 20 0 EIADHO c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC001172557366 1049932524 /nfs/dbraw/zinc/93/25/24/1049932524.db2.gz PEBRNVKXJKUXFT-FGZHOGPDSA-N 1 3 349.522 4.220 20 0 EIADHO CC1(C)CC([NH2+]C2CCN(CC3CCCCC3)CC2)CC(C)(C)O1 ZINC001172652628 1049955857 /nfs/dbraw/zinc/95/58/57/1049955857.db2.gz BWDKMRVHDYCMDQ-UHFFFAOYSA-N 1 3 336.564 4.357 20 0 EIADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172729939 1049969210 /nfs/dbraw/zinc/96/92/10/1049969210.db2.gz OHGNATILXHKHMS-HXUWFJFHSA-N 1 3 334.548 4.065 20 0 EIADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172729939 1049969215 /nfs/dbraw/zinc/96/92/15/1049969215.db2.gz OHGNATILXHKHMS-HXUWFJFHSA-N 1 3 334.548 4.065 20 0 EIADHO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001172715250 1049972949 /nfs/dbraw/zinc/97/29/49/1049972949.db2.gz GRMNECHAXGCMBW-NRFANRHFSA-N 1 3 346.946 4.442 20 0 EIADHO Clc1ccc2c(c1)C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172715250 1049972951 /nfs/dbraw/zinc/97/29/51/1049972951.db2.gz GRMNECHAXGCMBW-NRFANRHFSA-N 1 3 346.946 4.442 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)C1 ZINC000246902580 1050005570 /nfs/dbraw/zinc/00/55/70/1050005570.db2.gz FWKAEEXJTUXSQM-MSOLQXFVSA-N 1 3 338.495 4.355 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000247090503 1050013290 /nfs/dbraw/zinc/01/32/90/1050013290.db2.gz NYURUBODSGXAKA-BXTJHSDWSA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000247090503 1050013293 /nfs/dbraw/zinc/01/32/93/1050013293.db2.gz NYURUBODSGXAKA-BXTJHSDWSA-N 1 3 344.524 4.242 20 0 EIADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccncc1 ZINC000247396946 1050023310 /nfs/dbraw/zinc/02/33/10/1050023310.db2.gz HHOBQLUNJLYZFJ-CEXWTWQISA-N 1 3 337.511 4.410 20 0 EIADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccncc1 ZINC000247396946 1050023315 /nfs/dbraw/zinc/02/33/15/1050023315.db2.gz HHOBQLUNJLYZFJ-CEXWTWQISA-N 1 3 337.511 4.410 20 0 EIADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCCS2 ZINC000249181285 1050094328 /nfs/dbraw/zinc/09/43/28/1050094328.db2.gz IIFXFDGMSHGQPO-LPHOPBHVSA-N 1 3 348.556 4.332 20 0 EIADHO Cc1ccc([C@H](NCc2ccccc2OCC[NH+](C)C)C2CC2)cc1 ZINC000091312908 1050254379 /nfs/dbraw/zinc/25/43/79/1050254379.db2.gz HTSBFJNKVIOTNT-QFIPXVFZSA-N 1 3 338.495 4.176 20 0 EIADHO C1=CC[C@H](CN2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)CC1 ZINC001173045668 1050270858 /nfs/dbraw/zinc/27/08/58/1050270858.db2.gz KVRGPQVDHSYNCN-IBGZPJMESA-N 1 3 346.559 4.136 20 0 EIADHO COc1ccc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC001177920120 1050328562 /nfs/dbraw/zinc/32/85/62/1050328562.db2.gz QOWRSFDKPXFVTA-YLJYHZDGSA-N 1 3 344.524 4.238 20 0 EIADHO COc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC001177920120 1050328573 /nfs/dbraw/zinc/32/85/73/1050328573.db2.gz QOWRSFDKPXFVTA-YLJYHZDGSA-N 1 3 344.524 4.238 20 0 EIADHO Cc1nn(C(C)C)c(C)c1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC001177961733 1050332735 /nfs/dbraw/zinc/33/27/35/1050332735.db2.gz MDTBJYKDVBKIIJ-KRWDZBQOSA-N 1 3 342.531 4.081 20 0 EIADHO c1ccc(OC2CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)cc1 ZINC001173200056 1050345227 /nfs/dbraw/zinc/34/52/27/1050345227.db2.gz KMCQLEVLCLKVCB-UHFFFAOYSA-N 1 3 342.527 4.373 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2ccc(F)cc2F)C[N@@H+]1Cc1ccccc1 ZINC001178207951 1050404569 /nfs/dbraw/zinc/40/45/69/1050404569.db2.gz JKLCUJDGELSWEZ-FUHWJXTLSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2ccc(F)cc2F)C[N@H+]1Cc1ccccc1 ZINC001178207951 1050404570 /nfs/dbraw/zinc/40/45/70/1050404570.db2.gz JKLCUJDGELSWEZ-FUHWJXTLSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2ccoc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001178330262 1050437484 /nfs/dbraw/zinc/43/74/84/1050437484.db2.gz ALMSVPXXIXCOGO-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H](NCc1cccc2ccoc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178330262 1050437498 /nfs/dbraw/zinc/43/74/98/1050437498.db2.gz ALMSVPXXIXCOGO-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H](NCc1cccc2ccoc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178330262 1050437511 /nfs/dbraw/zinc/43/75/11/1050437511.db2.gz ALMSVPXXIXCOGO-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001173550594 1050488356 /nfs/dbraw/zinc/48/83/56/1050488356.db2.gz MBDQHBDUDQOZBN-CQSZACIVSA-N 1 3 341.326 4.342 20 0 EIADHO CC[N@H+](CCCN[C@@H]1CCc2ccc(OC)cc2C1)C1CCCCC1 ZINC001179090990 1050630138 /nfs/dbraw/zinc/63/01/38/1050630138.db2.gz MVLUQULHJWRAJG-HXUWFJFHSA-N 1 3 344.543 4.187 20 0 EIADHO CC[N@@H+](CCCN[C@@H]1CCc2ccc(OC)cc2C1)C1CCCCC1 ZINC001179090990 1050630148 /nfs/dbraw/zinc/63/01/48/1050630148.db2.gz MVLUQULHJWRAJG-HXUWFJFHSA-N 1 3 344.543 4.187 20 0 EIADHO CC1(C)CCC[C@@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001179094885 1050631227 /nfs/dbraw/zinc/63/12/27/1050631227.db2.gz DIQFPJOPMADHCA-HXUWFJFHSA-N 1 3 329.532 4.100 20 0 EIADHO CC[NH+](CC)CCO[C@H]1CCN(C/C=C\c2cc(C)c(C)cc2C)C1 ZINC001180081737 1050877157 /nfs/dbraw/zinc/87/71/57/1050877157.db2.gz NLLAXUWXTMNCQD-BVGULUMVSA-N 1 3 344.543 4.058 20 0 EIADHO COc1ccc([C@H](C)[NH2+]CCCSC)cc1CN1CCCCC1 ZINC000182993547 1050926400 /nfs/dbraw/zinc/92/64/00/1050926400.db2.gz LOJJKYWDOSDGMM-INIZCTEOSA-N 1 3 336.545 4.085 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001180301651 1050943990 /nfs/dbraw/zinc/94/39/90/1050943990.db2.gz OUDFYHZMGVUPNG-AGOPTVSRSA-N 1 3 326.528 4.455 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001180821159 1051084259 /nfs/dbraw/zinc/08/42/59/1051084259.db2.gz WHOXGXCKSMNJNW-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C)CCc1cncc2ccccc21)N1CCCCC1 ZINC001180809153 1051087375 /nfs/dbraw/zinc/08/73/75/1051087375.db2.gz BDMZYUYXTYLOER-RBUKOAKNSA-N 1 3 339.527 4.410 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388774 1051188014 /nfs/dbraw/zinc/18/80/14/1051188014.db2.gz TVIZAXSSTPSNNB-DYVFJYSZSA-N 1 3 340.483 4.310 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388774 1051188019 /nfs/dbraw/zinc/18/80/19/1051188019.db2.gz TVIZAXSSTPSNNB-DYVFJYSZSA-N 1 3 340.483 4.310 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(SC(F)F)ccc32)CC[N@@H+]1C ZINC000775393149 1051199936 /nfs/dbraw/zinc/19/99/36/1051199936.db2.gz LNHQCZMULJIFDY-SUYBPPKGSA-N 1 3 340.483 4.451 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(SC(F)F)ccc32)CC[N@H+]1C ZINC000775393149 1051199942 /nfs/dbraw/zinc/19/99/42/1051199942.db2.gz LNHQCZMULJIFDY-SUYBPPKGSA-N 1 3 340.483 4.451 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1CN1CCCCC1 ZINC000775395817 1051211001 /nfs/dbraw/zinc/21/10/01/1051211001.db2.gz MKFJRVKWBZSWRZ-LPHOPBHVSA-N 1 3 348.556 4.227 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)ccc1OC ZINC000775398522 1051229147 /nfs/dbraw/zinc/22/91/47/1051229147.db2.gz AKWVPSSFMLKQPC-BZSNNMDCSA-N 1 3 348.531 4.003 20 0 EIADHO CCSc1cccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC001181488183 1051237812 /nfs/dbraw/zinc/23/78/12/1051237812.db2.gz SAOJGASRSIKKQU-UHFFFAOYSA-N 1 3 328.525 4.492 20 0 EIADHO Cc1cccc(CCCN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC001190651646 1051245245 /nfs/dbraw/zinc/24/52/45/1051245245.db2.gz OVXCPYRRULLHRW-QFIPXVFZSA-N 1 3 328.544 4.372 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311009196 1051453614 /nfs/dbraw/zinc/45/36/14/1051453614.db2.gz WXUZODRPQNQOLU-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2cc[nH]c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311009196 1051453631 /nfs/dbraw/zinc/45/36/31/1051453631.db2.gz WXUZODRPQNQOLU-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2cc[nH]c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311009196 1051453645 /nfs/dbraw/zinc/45/36/45/1051453645.db2.gz WXUZODRPQNQOLU-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO CC(C)CC1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495025 1051466116 /nfs/dbraw/zinc/46/61/16/1051466116.db2.gz FPDGBDFEECPWOZ-JOCHJYFZSA-N 1 3 344.543 4.036 20 0 EIADHO CC(C)CC1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495025 1051466124 /nfs/dbraw/zinc/46/61/24/1051466124.db2.gz FPDGBDFEECPWOZ-JOCHJYFZSA-N 1 3 344.543 4.036 20 0 EIADHO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311188771 1051470751 /nfs/dbraw/zinc/47/07/51/1051470751.db2.gz DJWVWNJTRNVTPU-ICSRJNTNSA-N 1 3 338.495 4.176 20 0 EIADHO CC1(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1(C)C ZINC000716674267 1051500315 /nfs/dbraw/zinc/50/03/15/1051500315.db2.gz XAOUHSXPEYKUCH-OTWHNJEPSA-N 1 3 326.528 4.311 20 0 EIADHO C[C@@H]1SCC[C@@H]1[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001182726495 1051689039 /nfs/dbraw/zinc/68/90/39/1051689039.db2.gz UBWVZDNFWOZPGK-HFSMHLIXSA-N 1 3 346.584 4.408 20 0 EIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001183093923 1051785338 /nfs/dbraw/zinc/78/53/38/1051785338.db2.gz HAORXWSGVHPCMQ-AZUAARDMSA-N 1 3 328.544 4.454 20 0 EIADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001183095482 1051787300 /nfs/dbraw/zinc/78/73/00/1051787300.db2.gz QFQVCZGBMOYIHX-IEBWSBKVSA-N 1 3 339.527 4.201 20 0 EIADHO CCc1ccccc1CCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972355 1051855107 /nfs/dbraw/zinc/85/51/07/1051855107.db2.gz AOJOUIMBHCXRFA-BJKOFHAPSA-N 1 3 348.534 4.245 20 0 EIADHO CCc1ccccc1CCN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972355 1051855115 /nfs/dbraw/zinc/85/51/15/1051855115.db2.gz AOJOUIMBHCXRFA-BJKOFHAPSA-N 1 3 348.534 4.245 20 0 EIADHO C[C@H]1C[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@@H+]1C ZINC000621765809 1051942631 /nfs/dbraw/zinc/94/26/31/1051942631.db2.gz FNJAWHFVKXRYNS-BBRMVZONSA-N 1 3 326.406 4.157 20 0 EIADHO C[C@H]1C[C@@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@H+]1C ZINC000621765809 1051942641 /nfs/dbraw/zinc/94/26/41/1051942641.db2.gz FNJAWHFVKXRYNS-BBRMVZONSA-N 1 3 326.406 4.157 20 0 EIADHO CCOc1ccc(CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001184142935 1051954439 /nfs/dbraw/zinc/95/44/39/1051954439.db2.gz NTWDKKNXMHLCIX-NQIIRXRSSA-N 1 3 344.543 4.261 20 0 EIADHO CCOc1ccc(CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001184142934 1051955052 /nfs/dbraw/zinc/95/50/52/1051955052.db2.gz NTWDKKNXMHLCIX-GHTZIAJQSA-N 1 3 344.543 4.261 20 0 EIADHO CC[NH+]1CCC(N[C@H](C)c2ccc(SCC(F)(F)F)cc2)CC1 ZINC000159262955 1051964704 /nfs/dbraw/zinc/96/47/04/1051964704.db2.gz UKGVUDQIMQHDPF-CYBMUJFWSA-N 1 3 346.462 4.476 20 0 EIADHO C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001184386273 1052001500 /nfs/dbraw/zinc/00/15/00/1052001500.db2.gz AMWFWTLGJPVKGC-ULLYJBBUSA-N 1 3 334.507 4.214 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2cc3ccccc3n2C)cc1 ZINC001177132240 1052233937 /nfs/dbraw/zinc/23/39/37/1052233937.db2.gz DDCHTPBLRGQKPV-UHFFFAOYSA-N 1 3 335.495 4.310 20 0 EIADHO c1cc(CNCCC[NH+](Cc2ccccc2)Cc2ccccc2)c[nH]1 ZINC000344773582 1052618053 /nfs/dbraw/zinc/61/80/53/1052618053.db2.gz OQMIDGTWNGQCIG-UHFFFAOYSA-N 1 3 333.479 4.197 20 0 EIADHO C[C@@H](NCc1cccc(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178042552 1052696635 /nfs/dbraw/zinc/69/66/35/1052696635.db2.gz DXYPIHIIHDKVLZ-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO Cc1cc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862460 1053107291 /nfs/dbraw/zinc/10/72/91/1053107291.db2.gz JAUMRKJKSPTQCJ-APWZRJJASA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862460 1053107303 /nfs/dbraw/zinc/10/73/03/1053107303.db2.gz JAUMRKJKSPTQCJ-APWZRJJASA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000381862460 1053107310 /nfs/dbraw/zinc/10/73/10/1053107310.db2.gz JAUMRKJKSPTQCJ-APWZRJJASA-N 1 3 328.525 4.365 20 0 EIADHO C[C@H]([NH2+]Cc1cc(Cl)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000382062854 1053137991 /nfs/dbraw/zinc/13/79/91/1053137991.db2.gz PYXCHVBJSWHZOZ-HOCLYGCPSA-N 1 3 334.916 4.402 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)ccn1 ZINC000850516350 1053278565 /nfs/dbraw/zinc/27/85/65/1053278565.db2.gz BTOSQUNGOSPLGX-BHDDXSALSA-N 1 3 341.543 4.242 20 0 EIADHO Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383507519 1053346567 /nfs/dbraw/zinc/34/65/67/1053346567.db2.gz KMZPZKCAKOAWAU-MJGOQNOKSA-N 1 3 326.459 4.134 20 0 EIADHO C[NH+](C)C1(C)CCC(N[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000866516849 1053765622 /nfs/dbraw/zinc/76/56/22/1053765622.db2.gz DDWJUJRUCKELBR-VEDCXYSMSA-N 1 3 341.474 4.163 20 0 EIADHO [NH3+]CC[C@@H]1CN(c2ccc(F)c(CN3CCCC3)c2)c2ccccc21 ZINC001168548397 1053804422 /nfs/dbraw/zinc/80/44/22/1053804422.db2.gz MPRDDIFYKMPONN-MRXNPFEDSA-N 1 3 339.458 4.006 20 0 EIADHO CCC(C)(C)CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599656 1054091975 /nfs/dbraw/zinc/09/19/75/1054091975.db2.gz MPWIMWCBAVISCC-HXUWFJFHSA-N 1 3 347.547 4.201 20 0 EIADHO CCC(C)(C)CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599656 1054091985 /nfs/dbraw/zinc/09/19/85/1054091985.db2.gz MPWIMWCBAVISCC-HXUWFJFHSA-N 1 3 347.547 4.201 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000863547723 1055227913 /nfs/dbraw/zinc/22/79/13/1055227913.db2.gz RTPONCALGPQUEE-FGTMMUONSA-N 1 3 347.453 4.437 20 0 EIADHO Cc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1Cl ZINC000542698327 1055838410 /nfs/dbraw/zinc/83/84/10/1055838410.db2.gz NLBGYCGFTAWJBI-MRXNPFEDSA-N 1 3 346.902 4.440 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474710957 1055997216 /nfs/dbraw/zinc/99/72/16/1055997216.db2.gz JZUPHWQZICZLLK-NJINODPHSA-N 1 3 334.470 4.454 20 0 EIADHO C[C@@H](c1cccc(Br)c1)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162478 1060672960 /nfs/dbraw/zinc/67/29/60/1060672960.db2.gz TZKBJVHQKJIXTQ-SJWGOKEGSA-N 1 3 337.305 4.067 20 0 EIADHO C[C@@H](c1cccc(Br)c1)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162478 1060672963 /nfs/dbraw/zinc/67/29/63/1060672963.db2.gz TZKBJVHQKJIXTQ-SJWGOKEGSA-N 1 3 337.305 4.067 20 0 EIADHO CC[NH+]1CCC(N[C@@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001169222072 1060699397 /nfs/dbraw/zinc/69/93/97/1060699397.db2.gz ZTAHAAGMIHEMOV-HNNXBMFYSA-N 1 3 347.503 4.169 20 0 EIADHO CC[NH+]1CCC(N2CCC(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001169265002 1060709987 /nfs/dbraw/zinc/70/99/87/1060709987.db2.gz KIGPMKQSAUNVMF-UHFFFAOYSA-N 1 3 340.433 4.369 20 0 EIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298246606 519781544 /nfs/dbraw/zinc/78/15/44/519781544.db2.gz CZDIKVSLOYNNEH-QGZVFWFLSA-N 1 3 339.483 4.188 20 0 EIADHO CC(C)Oc1ccc2nccc(N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000450259157 1032375784 /nfs/dbraw/zinc/37/57/84/1032375784.db2.gz DWETXRYXEHNEBT-UHFFFAOYSA-N 1 3 339.483 4.087 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430153505 1018881852 /nfs/dbraw/zinc/88/18/52/1018881852.db2.gz YKIUTYASICHIHX-QWSHFYNQSA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430153505 1018881860 /nfs/dbraw/zinc/88/18/60/1018881860.db2.gz YKIUTYASICHIHX-QWSHFYNQSA-N 1 3 338.417 4.136 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)cc2C)c1 ZINC000414083595 1021822330 /nfs/dbraw/zinc/82/23/30/1021822330.db2.gz WIZMHSLHFNHTTI-QGZVFWFLSA-N 1 3 326.484 4.306 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)cc2C)c1 ZINC000414083595 1021822334 /nfs/dbraw/zinc/82/23/34/1021822334.db2.gz WIZMHSLHFNHTTI-QGZVFWFLSA-N 1 3 326.484 4.306 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC2 ZINC000398017869 1021898286 /nfs/dbraw/zinc/89/82/86/1021898286.db2.gz IIXQUYISKOXQAP-FDDCHVKYSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC2 ZINC000398017869 1021898289 /nfs/dbraw/zinc/89/82/89/1021898289.db2.gz IIXQUYISKOXQAP-FDDCHVKYSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000089553668 1021929558 /nfs/dbraw/zinc/92/95/58/1021929558.db2.gz KRQVOGNXGQSGER-HUUCEWRRSA-N 1 3 329.513 4.191 20 0 EIADHO COc1ccccc1[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089554974 1021933549 /nfs/dbraw/zinc/93/35/49/1021933549.db2.gz LDWRYKZKUPTYLC-VGSWGCGISA-N 1 3 338.495 4.105 20 0 EIADHO c1csc(C[N@H+]2CCC[C@H](CNCc3cc4ccccc4[nH]3)C2)c1 ZINC000683927049 1021990780 /nfs/dbraw/zinc/99/07/80/1021990780.db2.gz PSFIHQRAUXPDSN-MRXNPFEDSA-N 1 3 339.508 4.231 20 0 EIADHO c1csc(C[N@@H+]2CCC[C@H](CNCc3cc4ccccc4[nH]3)C2)c1 ZINC000683927049 1021990792 /nfs/dbraw/zinc/99/07/92/1021990792.db2.gz PSFIHQRAUXPDSN-MRXNPFEDSA-N 1 3 339.508 4.231 20 0 EIADHO c1csc(C[N@H+]2CCC[C@@H](CNCc3cc4ccccc4[nH]3)C2)c1 ZINC000683927047 1021991486 /nfs/dbraw/zinc/99/14/86/1021991486.db2.gz PSFIHQRAUXPDSN-INIZCTEOSA-N 1 3 339.508 4.231 20 0 EIADHO c1csc(C[N@@H+]2CCC[C@@H](CNCc3cc4ccccc4[nH]3)C2)c1 ZINC000683927047 1021991501 /nfs/dbraw/zinc/99/15/01/1021991501.db2.gz PSFIHQRAUXPDSN-INIZCTEOSA-N 1 3 339.508 4.231 20 0 EIADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(C)c1 ZINC000580453511 1022039447 /nfs/dbraw/zinc/03/94/47/1022039447.db2.gz AXTKGGCYSVYMLK-FQEVSTJZSA-N 1 3 326.484 4.176 20 0 EIADHO C[C@]1(CNCc2cccc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000310940637 1022676617 /nfs/dbraw/zinc/67/66/17/1022676617.db2.gz WAPMIJIMYZVXIW-JOCHJYFZSA-N 1 3 333.479 4.170 20 0 EIADHO C[C@]1(CNCc2cccc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310940637 1022676625 /nfs/dbraw/zinc/67/66/25/1022676625.db2.gz WAPMIJIMYZVXIW-JOCHJYFZSA-N 1 3 333.479 4.170 20 0 EIADHO C[C@@H]([NH2+]CCc1c(F)cccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000402101121 1022801355 /nfs/dbraw/zinc/80/13/55/1022801355.db2.gz VGCRZWLMUXDAJU-SJLPKXTDSA-N 1 3 344.449 4.008 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)cs1 ZINC000581326323 1023025108 /nfs/dbraw/zinc/02/51/08/1023025108.db2.gz TWKUHOPVVGUNGE-GGPKGHCWSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)cs1 ZINC000581326323 1023025126 /nfs/dbraw/zinc/02/51/26/1023025126.db2.gz TWKUHOPVVGUNGE-GGPKGHCWSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)cc2)cs1 ZINC000581326323 1023025140 /nfs/dbraw/zinc/02/51/40/1023025140.db2.gz TWKUHOPVVGUNGE-GGPKGHCWSA-N 1 3 341.524 4.081 20 0 EIADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(Br)s1 ZINC000376561716 1023031874 /nfs/dbraw/zinc/03/18/74/1023031874.db2.gz NRFDVCPCRDOXSC-PNESKVBLSA-N 1 3 343.334 4.178 20 0 EIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672598 1023254665 /nfs/dbraw/zinc/25/46/65/1023254665.db2.gz OJELGPNBPZUIOD-SIKLNZKXSA-N 1 3 335.495 4.035 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672598 1023254676 /nfs/dbraw/zinc/25/46/76/1023254676.db2.gz OJELGPNBPZUIOD-SIKLNZKXSA-N 1 3 335.495 4.035 20 0 EIADHO Cc1ccc(OC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)cc1C ZINC000472752452 1023502128 /nfs/dbraw/zinc/50/21/28/1023502128.db2.gz PRBCORPVTCIALI-IBGZPJMESA-N 1 3 330.516 4.021 20 0 EIADHO CSC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(F)(F)F)cc1 ZINC000581903437 1023856392 /nfs/dbraw/zinc/85/63/92/1023856392.db2.gz BLUJUVRUFXTDBG-OAHLLOKOSA-N 1 3 348.478 4.287 20 0 EIADHO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC[C@H]3CCCN3C)cc2)cs1 ZINC000341588624 1023895432 /nfs/dbraw/zinc/89/54/32/1023895432.db2.gz BXJBIMBPUBSSLY-RDTXWAMCSA-N 1 3 329.513 4.253 20 0 EIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1C(F)(F)F ZINC000131766848 1023970910 /nfs/dbraw/zinc/97/09/10/1023970910.db2.gz IFDAJTRZXYREGR-FFHGMXDLSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1C(F)(F)F ZINC000131766848 1023970917 /nfs/dbraw/zinc/97/09/17/1023970917.db2.gz IFDAJTRZXYREGR-FFHGMXDLSA-N 1 3 326.406 4.371 20 0 EIADHO CC[N@@H+]1CC[C@H](NCc2cc(-c3ccc(OC)cc3)cs2)[C@@H](C)C1 ZINC000468875893 1024090562 /nfs/dbraw/zinc/09/05/62/1024090562.db2.gz FVRLAIMYTCSMFV-YWZLYKJASA-N 1 3 344.524 4.244 20 0 EIADHO CC[N@H+]1CC[C@H](NCc2cc(-c3ccc(OC)cc3)cs2)[C@@H](C)C1 ZINC000468875893 1024090579 /nfs/dbraw/zinc/09/05/79/1024090579.db2.gz FVRLAIMYTCSMFV-YWZLYKJASA-N 1 3 344.524 4.244 20 0 EIADHO CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481310 1024825601 /nfs/dbraw/zinc/82/56/01/1024825601.db2.gz MWFKQSDJOWAXQU-LVCYWYKZSA-N 1 3 337.511 4.205 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2cccn2CCC(C)C)c1 ZINC000236879791 1024837025 /nfs/dbraw/zinc/83/70/25/1024837025.db2.gz YQJALTQLTZWKSQ-UHFFFAOYSA-N 1 3 327.516 4.276 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2cccn2CCC(C)C)c1 ZINC000236879791 1024837027 /nfs/dbraw/zinc/83/70/27/1024837027.db2.gz YQJALTQLTZWKSQ-UHFFFAOYSA-N 1 3 327.516 4.276 20 0 EIADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295634 1025045989 /nfs/dbraw/zinc/04/59/89/1025045989.db2.gz VYYDMTBTTWHOLV-VQIMIIECSA-N 1 3 339.483 4.114 20 0 EIADHO C[C@@H]1CCCN(Cc2csc(Cc3ccccc3)n2)[C@@H]1CCC[NH3+] ZINC000662311692 1025062762 /nfs/dbraw/zinc/06/27/62/1025062762.db2.gz CYGDAGYFFWUZPX-VQIMIIECSA-N 1 3 343.540 4.073 20 0 EIADHO C[C@@H](c1nc2ccccc2o1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000181188323 1025121656 /nfs/dbraw/zinc/12/16/56/1025121656.db2.gz BOJAGAPLYNNUAI-KRWDZBQOSA-N 1 3 341.499 4.477 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156899291 1025722153 /nfs/dbraw/zinc/72/21/53/1025722153.db2.gz LLVBLDOIXNHRTQ-QGZVFWFLSA-N 1 3 348.531 4.015 20 0 EIADHO Cc1ncsc1-c1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000657295916 1025740271 /nfs/dbraw/zinc/74/02/71/1025740271.db2.gz NVVNJHNWSBPOAF-UHFFFAOYSA-N 1 3 329.513 4.084 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001167837436 1025848485 /nfs/dbraw/zinc/84/84/85/1025848485.db2.gz KBKWXNQPJWVJCD-TZIWHRDSSA-N 1 3 332.532 4.053 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N(Cc1cc(C)no1)Cc1ccccc1 ZINC001167841999 1025892768 /nfs/dbraw/zinc/89/27/68/1025892768.db2.gz VNSWKQRDVBZVTP-LJQANCHMSA-N 1 3 343.515 4.496 20 0 EIADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Oc2cccnc2)cc1 ZINC000344090900 1025997436 /nfs/dbraw/zinc/99/74/36/1025997436.db2.gz JPIJOTDWBMGIDZ-SJLPKXTDSA-N 1 3 325.456 4.009 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000319795727 1026059979 /nfs/dbraw/zinc/05/99/79/1026059979.db2.gz ILYXPCPFROKSEX-OAHLLOKOSA-N 1 3 326.431 4.061 20 0 EIADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000319795726 1026061233 /nfs/dbraw/zinc/06/12/33/1026061233.db2.gz ILYXPCPFROKSEX-HNNXBMFYSA-N 1 3 326.431 4.061 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657336895 1026160473 /nfs/dbraw/zinc/16/04/73/1026160473.db2.gz ZTPOZPXOAVHCDV-UHFFFAOYSA-N 1 3 343.540 4.473 20 0 EIADHO CCCC[N@H+](C)CC1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000506867955 1026476621 /nfs/dbraw/zinc/47/66/21/1026476621.db2.gz PMOYYSUDJWOAFV-CSKARUKUSA-N 1 3 330.516 4.152 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000506867955 1026476629 /nfs/dbraw/zinc/47/66/29/1026476629.db2.gz PMOYYSUDJWOAFV-CSKARUKUSA-N 1 3 330.516 4.152 20 0 EIADHO Cc1ccccc1CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432673079 1026710006 /nfs/dbraw/zinc/71/00/06/1026710006.db2.gz VRSVDMOTHNCYRX-IBGZPJMESA-N 1 3 326.509 4.201 20 0 EIADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000507440094 1026795768 /nfs/dbraw/zinc/79/57/68/1026795768.db2.gz HEBNQILQBPJIHC-KRWDZBQOSA-N 1 3 343.540 4.083 20 0 EIADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000507440094 1026795773 /nfs/dbraw/zinc/79/57/73/1026795773.db2.gz HEBNQILQBPJIHC-KRWDZBQOSA-N 1 3 343.540 4.083 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2cccc3ccccc32)C[C@@H]1C ZINC001167589377 1026860212 /nfs/dbraw/zinc/86/02/12/1026860212.db2.gz DKKYOBPXNIBJDQ-AZUAARDMSA-N 1 3 340.511 4.413 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2cccc3ccccc32)C[C@@H]1C ZINC001167589377 1026860217 /nfs/dbraw/zinc/86/02/17/1026860217.db2.gz DKKYOBPXNIBJDQ-AZUAARDMSA-N 1 3 340.511 4.413 20 0 EIADHO c1ccc2c(CC[NH2+]C3CCN(C4CCCCC4)CC3)ccnc2c1 ZINC000657589724 1027210161 /nfs/dbraw/zinc/21/01/61/1027210161.db2.gz GNBUPJWCBFYESP-UHFFFAOYSA-N 1 3 337.511 4.164 20 0 EIADHO c1ccc2c(CCNC3CC[NH+](C4CCCCC4)CC3)ccnc2c1 ZINC000657589724 1027210178 /nfs/dbraw/zinc/21/01/78/1027210178.db2.gz GNBUPJWCBFYESP-UHFFFAOYSA-N 1 3 337.511 4.164 20 0 EIADHO Cc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000441418643 1027534978 /nfs/dbraw/zinc/53/49/78/1027534978.db2.gz VJCLNCPTNWRQEA-KNQAVFIVSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000441418643 1027534988 /nfs/dbraw/zinc/53/49/88/1027534988.db2.gz VJCLNCPTNWRQEA-KNQAVFIVSA-N 1 3 342.527 4.021 20 0 EIADHO C[N@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167996090 1027845298 /nfs/dbraw/zinc/84/52/98/1027845298.db2.gz WQTXUWKNLDYTLH-OJGPNISVSA-N 1 3 328.544 4.292 20 0 EIADHO C[N@@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC001167996090 1027845306 /nfs/dbraw/zinc/84/53/06/1027845306.db2.gz WQTXUWKNLDYTLH-OJGPNISVSA-N 1 3 328.544 4.292 20 0 EIADHO Cc1ccc2cc(CNCc3cccc(C[NH+]4CCCC4)c3)ccc2n1 ZINC000189242061 1028108196 /nfs/dbraw/zinc/10/81/96/1028108196.db2.gz YESZZZBQNZBEHW-UHFFFAOYSA-N 1 3 345.490 4.429 20 0 EIADHO [NH3+]C[C@H]1CC[C@H](N[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000635006784 1028816606 /nfs/dbraw/zinc/81/66/06/1028816606.db2.gz STYJOTJLWPXRPS-XERREHJYSA-N 1 3 335.451 4.024 20 0 EIADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000522973586 1029139437 /nfs/dbraw/zinc/13/94/37/1029139437.db2.gz BRQKXHXEUKHIBU-XJKSGUPXSA-N 1 3 328.447 4.305 20 0 EIADHO CCOc1cccc2cc([C@H](C)NCc3ccccc3C[NH2+]C)oc21 ZINC000650757499 1029204309 /nfs/dbraw/zinc/20/43/09/1029204309.db2.gz YHYOSOCMTKGABA-HNNXBMFYSA-N 1 3 338.451 4.402 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(Br)c1 ZINC000650759072 1029218063 /nfs/dbraw/zinc/21/80/63/1029218063.db2.gz CLBBGKOCBMIBGH-ZDUSSCGKSA-N 1 3 333.273 4.019 20 0 EIADHO CN(C)[C@@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000475212272 1029443792 /nfs/dbraw/zinc/44/37/92/1029443792.db2.gz UQQQGHYKWUEKTB-GOSISDBHSA-N 1 3 342.449 4.444 20 0 EIADHO CN(C)[C@@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000475212272 1029443797 /nfs/dbraw/zinc/44/37/97/1029443797.db2.gz UQQQGHYKWUEKTB-GOSISDBHSA-N 1 3 342.449 4.444 20 0 EIADHO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCN1C ZINC000525207852 1029514945 /nfs/dbraw/zinc/51/49/45/1029514945.db2.gz RFDBKVYVIQJXKK-WMLDXEAASA-N 1 3 336.907 4.234 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000657841280 1029753779 /nfs/dbraw/zinc/75/37/79/1029753779.db2.gz OPFNPJMHCNKEAE-JSGCOSHPSA-N 1 3 348.840 4.221 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000657841275 1029754812 /nfs/dbraw/zinc/75/48/12/1029754812.db2.gz OPFNPJMHCNKEAE-GXTWGEPZSA-N 1 3 348.840 4.221 20 0 EIADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000708528741 1029813128 /nfs/dbraw/zinc/81/31/28/1029813128.db2.gz IGKGJNJDPDFCDV-GOEBONIOSA-N 1 3 334.916 4.259 20 0 EIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000093398259 1030002123 /nfs/dbraw/zinc/00/21/23/1030002123.db2.gz KBAYEMORCRGJAB-HOTGVXAUSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000093398259 1030002148 /nfs/dbraw/zinc/00/21/48/1030002148.db2.gz KBAYEMORCRGJAB-HOTGVXAUSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(F)c(F)c2)CC1 ZINC000530329387 1030318198 /nfs/dbraw/zinc/31/81/98/1030318198.db2.gz XQBLYLKXRKAWKH-QRWLVFNGSA-N 1 3 336.470 4.140 20 0 EIADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001168168622 1030395879 /nfs/dbraw/zinc/39/58/79/1030395879.db2.gz SWMSMBIFBHEBHZ-QGZVFWFLSA-N 1 3 342.914 4.307 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000548851782 1030634304 /nfs/dbraw/zinc/63/43/04/1030634304.db2.gz FHCPGEDZZOCZAD-BAAYTWLHSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@H]1CCC[N@H+](C)C1 ZINC000548851782 1030634322 /nfs/dbraw/zinc/63/43/22/1030634322.db2.gz FHCPGEDZZOCZAD-BAAYTWLHSA-N 1 3 326.406 4.040 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCc2cc(F)ccc21 ZINC000398107406 1030697841 /nfs/dbraw/zinc/69/78/41/1030697841.db2.gz BYHHGMZJGWHUQN-NPFVIJTESA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCc2cc(F)ccc21 ZINC000398107406 1030697859 /nfs/dbraw/zinc/69/78/59/1030697859.db2.gz BYHHGMZJGWHUQN-NPFVIJTESA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCc2c1cccc2F ZINC000398131415 1030712843 /nfs/dbraw/zinc/71/28/43/1030712843.db2.gz JQSJITNNAOJIFK-URZJWIJPSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCc2c1cccc2F ZINC000398131415 1030712875 /nfs/dbraw/zinc/71/28/75/1030712875.db2.gz JQSJITNNAOJIFK-URZJWIJPSA-N 1 3 338.470 4.313 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)c1O ZINC000398182632 1030732957 /nfs/dbraw/zinc/73/29/57/1030732957.db2.gz KKMMTTGOQHOVJI-GHTZIAJQSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)c1O ZINC000398182632 1030732973 /nfs/dbraw/zinc/73/29/73/1030732973.db2.gz KKMMTTGOQHOVJI-GHTZIAJQSA-N 1 3 338.495 4.009 20 0 EIADHO C[C@H]1C[C@H](CCNCc2ccncc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000527685980 1030825055 /nfs/dbraw/zinc/82/50/55/1030825055.db2.gz YXODXBHFAPMKOC-WMZOPIPTSA-N 1 3 343.902 4.125 20 0 EIADHO C[C@H]1C[C@H](CCNCc2ccncc2Cl)C[N@H+]1Cc1ccccc1 ZINC000527685980 1030825063 /nfs/dbraw/zinc/82/50/63/1030825063.db2.gz YXODXBHFAPMKOC-WMZOPIPTSA-N 1 3 343.902 4.125 20 0 EIADHO C[C@@H]1[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000658164471 1030861315 /nfs/dbraw/zinc/86/13/15/1030861315.db2.gz DKGAFRGGTXBZIQ-CDNPAEQRSA-N 1 3 349.522 4.075 20 0 EIADHO CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000658167270 1030864296 /nfs/dbraw/zinc/86/42/96/1030864296.db2.gz RHWCYTXXCATXIP-QFIPXVFZSA-N 1 3 349.522 4.306 20 0 EIADHO Cc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)s1 ZINC000658167372 1030864744 /nfs/dbraw/zinc/86/47/44/1030864744.db2.gz RTUDPDAVYKFGEO-MRXNPFEDSA-N 1 3 343.540 4.323 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000532454364 1031089341 /nfs/dbraw/zinc/08/93/41/1031089341.db2.gz UBJVEHSEDJIFEM-SFHVURJKSA-N 1 3 338.495 4.499 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CNCc2csc(C)c2)cc1 ZINC000449081643 1031437135 /nfs/dbraw/zinc/43/71/35/1031437135.db2.gz GVKAWHGWKXUZJW-UHFFFAOYSA-N 1 3 332.513 4.067 20 0 EIADHO CC[NH+]1CCC(CCN[C@@H](C)c2sccc2Br)CC1 ZINC000531724580 1031526554 /nfs/dbraw/zinc/52/65/54/1031526554.db2.gz DVNFTFYXDFZOHU-LBPRGKRZSA-N 1 3 345.350 4.283 20 0 EIADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)cc2ccccc21 ZINC000449218387 1031551138 /nfs/dbraw/zinc/55/11/38/1031551138.db2.gz HUSXAPJNLJCEKQ-UHFFFAOYSA-N 1 3 334.463 4.200 20 0 EIADHO C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000449231325 1031561557 /nfs/dbraw/zinc/56/15/57/1031561557.db2.gz DGUQYEXVNBSWJX-HQHQBECKSA-N 1 3 348.575 4.499 20 0 EIADHO C[C@H](CCCc1cccnc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000453121901 1031616306 /nfs/dbraw/zinc/61/63/06/1031616306.db2.gz DJFLALDBKIWIFR-GOSISDBHSA-N 1 3 329.532 4.180 20 0 EIADHO CC1(C)CN(Cc2cccnc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413592 1031695779 /nfs/dbraw/zinc/69/57/79/1031695779.db2.gz JLEQUDOGHOUGMZ-QFIPXVFZSA-N 1 3 349.522 4.204 20 0 EIADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000453335189 1031860414 /nfs/dbraw/zinc/86/04/14/1031860414.db2.gz DCPGHNOQYOZINF-DLZDZTESSA-N 1 3 328.500 4.239 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000512646591 1033613369 /nfs/dbraw/zinc/61/33/69/1033613369.db2.gz BMWAUGSCCQIEGO-VNTMZGSJSA-N 1 3 348.481 4.455 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C)c(O)c(C)c2)c1 ZINC000513109432 1034600274 /nfs/dbraw/zinc/60/02/74/1034600274.db2.gz BMHNUSKWWXAVDV-UHFFFAOYSA-N 1 3 326.484 4.141 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(-c3cccs3)cc1)C2 ZINC000513127017 1034604293 /nfs/dbraw/zinc/60/42/93/1034604293.db2.gz BHDNWNKRCWAIFK-DFNIBXOVSA-N 1 3 326.509 4.472 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(-c3cccs3)cc1)C2 ZINC000513127017 1034604308 /nfs/dbraw/zinc/60/43/08/1034604308.db2.gz BHDNWNKRCWAIFK-DFNIBXOVSA-N 1 3 326.509 4.472 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC1(c2cccc(Cl)c2)CCC1 ZINC000647804619 1034892577 /nfs/dbraw/zinc/89/25/77/1034892577.db2.gz VVUFPVWOGWZJPC-AWEZNQCLSA-N 1 3 329.875 4.232 20 0 EIADHO CCC(CC)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000513414543 1034933457 /nfs/dbraw/zinc/93/34/57/1034933457.db2.gz OHAVKTNDUUTKGT-CTNGQTDRSA-N 1 3 336.564 4.357 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2ccc(Cl)o2)C[N@@H+]1Cc1ccccc1 ZINC000513501542 1034999478 /nfs/dbraw/zinc/99/94/78/1034999478.db2.gz TVTQRHXIURNJQL-NVXWUHKLSA-N 1 3 332.875 4.323 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2ccc(Cl)o2)C[N@H+]1Cc1ccccc1 ZINC000513501542 1034999493 /nfs/dbraw/zinc/99/94/93/1034999493.db2.gz TVTQRHXIURNJQL-NVXWUHKLSA-N 1 3 332.875 4.323 20 0 EIADHO CC(=O)c1c(C)cc(C)c(CN2CCC(CCC[NH+](C)C)CC2)c1C ZINC000501773283 1035575976 /nfs/dbraw/zinc/57/59/76/1035575976.db2.gz IHJVLVAMSQITRG-UHFFFAOYSA-N 1 3 344.543 4.368 20 0 EIADHO Clc1ccc(O[C@@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168387287 1036677268 /nfs/dbraw/zinc/67/72/68/1036677268.db2.gz BUFDHBPKDKPAAK-HXUWFJFHSA-N 1 3 348.918 4.058 20 0 EIADHO Clc1ccc(O[C@@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168387287 1036677284 /nfs/dbraw/zinc/67/72/84/1036677284.db2.gz BUFDHBPKDKPAAK-HXUWFJFHSA-N 1 3 348.918 4.058 20 0 EIADHO C[C@H](NC/C=C\c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486472921 1036722050 /nfs/dbraw/zinc/72/20/50/1036722050.db2.gz DPKARZYRVMHYLF-BAZGULGGSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H](NC/C=C\c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486472921 1036722074 /nfs/dbraw/zinc/72/20/74/1036722074.db2.gz DPKARZYRVMHYLF-BAZGULGGSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486472921 1036722095 /nfs/dbraw/zinc/72/20/95/1036722095.db2.gz DPKARZYRVMHYLF-BAZGULGGSA-N 1 3 338.470 4.339 20 0 EIADHO COc1ccc([C@@H](NCc2ccc(C[NH+](C)C)cc2)C(C)C)c(F)c1 ZINC000421821080 1036774389 /nfs/dbraw/zinc/77/43/89/1036774389.db2.gz PJCXECNPHJEGEO-NRFANRHFSA-N 1 3 344.474 4.383 20 0 EIADHO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccncc1Cl ZINC000421829451 1036790190 /nfs/dbraw/zinc/79/01/90/1036790190.db2.gz HYXYFXYFLNOXJZ-BQFCYCMXSA-N 1 3 343.902 4.439 20 0 EIADHO C[N@H+](Cc1ccccc1C(F)(F)F)C1CCN(CC2CC2)CC1 ZINC001168390967 1036798800 /nfs/dbraw/zinc/79/88/00/1036798800.db2.gz JNYPCDBYBOMZHG-UHFFFAOYSA-N 1 3 326.406 4.012 20 0 EIADHO C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCN(CC2CC2)CC1 ZINC001168390967 1036798829 /nfs/dbraw/zinc/79/88/29/1036798829.db2.gz JNYPCDBYBOMZHG-UHFFFAOYSA-N 1 3 326.406 4.012 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000486688126 1036817067 /nfs/dbraw/zinc/81/70/67/1036817067.db2.gz FRQZZPGSNQLYQH-UHFFFAOYSA-N 1 3 325.431 4.049 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000486688126 1036817070 /nfs/dbraw/zinc/81/70/70/1036817070.db2.gz FRQZZPGSNQLYQH-UHFFFAOYSA-N 1 3 325.431 4.049 20 0 EIADHO Clc1cccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)c1 ZINC001168393172 1036863917 /nfs/dbraw/zinc/86/39/17/1036863917.db2.gz YCARNENRDOKQNZ-UHFFFAOYSA-N 1 3 348.918 4.058 20 0 EIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C)ccc1OC ZINC000589999647 1036918206 /nfs/dbraw/zinc/91/82/06/1036918206.db2.gz QCCUKKFXZJKWBQ-UHFFFAOYSA-N 1 3 326.484 4.087 20 0 EIADHO c1ccc(C[NH+]2CCCCC2)c(CNc2ccnc3ccccc32)c1 ZINC000599447496 1037009308 /nfs/dbraw/zinc/00/93/08/1037009308.db2.gz HUNWBYGGRHBCKP-UHFFFAOYSA-N 1 3 331.463 4.255 20 0 EIADHO C[C@H](CC[NH+](C)C)NCc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611165 1037116409 /nfs/dbraw/zinc/11/64/09/1037116409.db2.gz CUPJTYFZSIPCJT-GOSISDBHSA-N 1 3 335.495 4.119 20 0 EIADHO C[C@@H](CC[NH+](C)C)NCc1cn(Cc2ccccc2)c2ccccc12 ZINC000590611166 1037116992 /nfs/dbraw/zinc/11/69/92/1037116992.db2.gz CUPJTYFZSIPCJT-SFHVURJKSA-N 1 3 335.495 4.119 20 0 EIADHO CC[N@@H+]1CC[C@@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000590611659 1037117947 /nfs/dbraw/zinc/11/79/47/1037117947.db2.gz QWDWCPSWLLBFCK-FQEVSTJZSA-N 1 3 347.506 4.121 20 0 EIADHO CC[N@H+]1CC[C@@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000590611659 1037117958 /nfs/dbraw/zinc/11/79/58/1037117958.db2.gz QWDWCPSWLLBFCK-FQEVSTJZSA-N 1 3 347.506 4.121 20 0 EIADHO CCN1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000590611659 1037117968 /nfs/dbraw/zinc/11/79/68/1037117968.db2.gz QWDWCPSWLLBFCK-FQEVSTJZSA-N 1 3 347.506 4.121 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000590786192 1037167677 /nfs/dbraw/zinc/16/76/77/1037167677.db2.gz GLIBYOGFLSKQEB-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000590786192 1037167682 /nfs/dbraw/zinc/16/76/82/1037167682.db2.gz GLIBYOGFLSKQEB-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000569860856 1037180938 /nfs/dbraw/zinc/18/09/38/1037180938.db2.gz MSSZQMDBIDHUDI-YPAWHYETSA-N 1 3 344.543 4.084 20 0 EIADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000569860853 1037182489 /nfs/dbraw/zinc/18/24/89/1037182489.db2.gz MSSZQMDBIDHUDI-BHDDXSALSA-N 1 3 344.543 4.084 20 0 EIADHO CCc1ncc(CN2CCC(CC[N@@H+](CC)CC(C)C)CC2)s1 ZINC000573167389 1037385394 /nfs/dbraw/zinc/38/53/94/1037385394.db2.gz FSLUDRAIVBVXNV-UHFFFAOYSA-N 1 3 337.577 4.286 20 0 EIADHO CCc1ncc(CN2CCC(CC[N@H+](CC)CC(C)C)CC2)s1 ZINC000573167389 1037385413 /nfs/dbraw/zinc/38/54/13/1037385413.db2.gz FSLUDRAIVBVXNV-UHFFFAOYSA-N 1 3 337.577 4.286 20 0 EIADHO CC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)(C)c1ccccc1 ZINC000422784782 1037832018 /nfs/dbraw/zinc/83/20/18/1037832018.db2.gz OOGXLQYJNQUZEW-UZLBHIALSA-N 1 3 325.500 4.256 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000422800113 1037835679 /nfs/dbraw/zinc/83/56/79/1037835679.db2.gz AUMPSWPXEUKPHC-NEPJUHHUSA-N 1 3 337.389 4.279 20 0 EIADHO Cc1cc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000422808549 1037837870 /nfs/dbraw/zinc/83/78/70/1037837870.db2.gz OJLLKCGUGLPRQZ-ADLFWFRXSA-N 1 3 342.508 4.271 20 0 EIADHO Cc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000422792023 1037839225 /nfs/dbraw/zinc/83/92/25/1037839225.db2.gz ZABIKJFVKNZBET-WEYGHZABSA-N 1 3 336.479 4.210 20 0 EIADHO COc1ccccc1[C@H](CC(C)C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422825938 1037841044 /nfs/dbraw/zinc/84/10/44/1037841044.db2.gz QFLMOVBVDAIJPA-UZLBHIALSA-N 1 3 341.499 4.295 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422917703 1037878002 /nfs/dbraw/zinc/87/80/02/1037878002.db2.gz FPTGOHCMEGEUTJ-LBPRGKRZSA-N 1 3 349.881 4.270 20 0 EIADHO CC1(C)C[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000422993381 1037891133 /nfs/dbraw/zinc/89/11/33/1037891133.db2.gz SRTPNRIENPSQBF-SXWKCWPCSA-N 1 3 348.490 4.255 20 0 EIADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422982773 1037895627 /nfs/dbraw/zinc/89/56/27/1037895627.db2.gz RGPSCLCPZWDWHV-SUMWQHHRSA-N 1 3 331.891 4.174 20 0 EIADHO Clc1ccc(CSCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000423017265 1037902513 /nfs/dbraw/zinc/90/25/13/1037902513.db2.gz OEZBINNCUPKZFE-YIONKMFJSA-N 1 3 345.339 4.099 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(C)C ZINC000423076754 1037942659 /nfs/dbraw/zinc/94/26/59/1037942659.db2.gz ZPWIFXYKNHDVQF-VQIMIIECSA-N 1 3 325.500 4.014 20 0 EIADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092032 1037952723 /nfs/dbraw/zinc/95/27/23/1037952723.db2.gz AGAWQGSOEJUFCY-QSPRXWTASA-N 1 3 326.406 4.201 20 0 EIADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423096955 1037953366 /nfs/dbraw/zinc/95/33/66/1037953366.db2.gz QDQQPIQVEYPUSB-OTRWWLKZSA-N 1 3 326.406 4.059 20 0 EIADHO FC(F)(F)c1cccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000423107102 1037983400 /nfs/dbraw/zinc/98/34/00/1037983400.db2.gz PGOSBYKHDLFFOF-DLBZAZTESA-N 1 3 326.406 4.278 20 0 EIADHO CCSc1ccc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423181473 1038035709 /nfs/dbraw/zinc/03/57/09/1038035709.db2.gz CXYPWNUSYKBOMJ-MRXNPFEDSA-N 1 3 329.513 4.024 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000423288929 1038093260 /nfs/dbraw/zinc/09/32/60/1038093260.db2.gz AAUDJRCGKOJMEP-ACJLOTCBSA-N 1 3 330.859 4.363 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCN1 ZINC000423385836 1038194932 /nfs/dbraw/zinc/19/49/32/1038194932.db2.gz RCCHAWSARPKDGS-YYQUZTFQSA-N 1 3 326.406 4.072 20 0 EIADHO c1cc(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)cc2c1C[NH2+]C2 ZINC000423390641 1038199535 /nfs/dbraw/zinc/19/95/35/1038199535.db2.gz PARCWPZPOSKXJY-JOCHJYFZSA-N 1 3 348.490 4.172 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423405604 1038215244 /nfs/dbraw/zinc/21/52/44/1038215244.db2.gz YCYKHMIYOMEPSR-UVBJJODRSA-N 1 3 333.476 4.178 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423405602 1038216232 /nfs/dbraw/zinc/21/62/32/1038216232.db2.gz YCYKHMIYOMEPSR-IUIKQTSFSA-N 1 3 333.476 4.178 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2c1CCCN2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423411313 1038220113 /nfs/dbraw/zinc/22/01/13/1038220113.db2.gz FJGYTBZHSOWLGY-GHTZIAJQSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1cccc2c1CCCN2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423411313 1038220135 /nfs/dbraw/zinc/22/01/35/1038220135.db2.gz FJGYTBZHSOWLGY-GHTZIAJQSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1cccc2c1CCCN2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423411313 1038220171 /nfs/dbraw/zinc/22/01/71/1038220171.db2.gz FJGYTBZHSOWLGY-GHTZIAJQSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccccc1Br ZINC000423461583 1038240111 /nfs/dbraw/zinc/24/01/11/1038240111.db2.gz SYDZGXLSRIDLPS-KSSFIOAISA-N 1 3 347.300 4.256 20 0 EIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1OC(F)F ZINC000423497349 1038254552 /nfs/dbraw/zinc/25/45/52/1038254552.db2.gz GQSRXIZLNHLLKX-YOEHRIQHSA-N 1 3 334.410 4.419 20 0 EIADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000423519998 1038273620 /nfs/dbraw/zinc/27/36/20/1038273620.db2.gz VTUJVVITMJSKSM-NRXGSXMXSA-N 1 3 332.850 4.286 20 0 EIADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490070174 1038332054 /nfs/dbraw/zinc/33/20/54/1038332054.db2.gz WRCXGXISGHLADO-IRXDYDNUSA-N 1 3 347.572 4.076 20 0 EIADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490070174 1038332067 /nfs/dbraw/zinc/33/20/67/1038332067.db2.gz WRCXGXISGHLADO-IRXDYDNUSA-N 1 3 347.572 4.076 20 0 EIADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000594786051 1038401848 /nfs/dbraw/zinc/40/18/48/1038401848.db2.gz ISDGXNRSXYNHSL-AWEZNQCLSA-N 1 3 334.916 4.500 20 0 EIADHO C[N@H+]1CCC[C@@H](CNCc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000594786051 1038401875 /nfs/dbraw/zinc/40/18/75/1038401875.db2.gz ISDGXNRSXYNHSL-AWEZNQCLSA-N 1 3 334.916 4.500 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000490269970 1038417391 /nfs/dbraw/zinc/41/73/91/1038417391.db2.gz FJHMJMMQTCHPLV-COPCDDAFSA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000490269970 1038417400 /nfs/dbraw/zinc/41/74/00/1038417400.db2.gz FJHMJMMQTCHPLV-COPCDDAFSA-N 1 3 344.543 4.099 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@H](C(C)(C)C)C3)CC2)C1 ZINC000539064331 1038808849 /nfs/dbraw/zinc/80/88/49/1038808849.db2.gz AJXYNXNAEJYTCX-GTAWCEEGSA-N 1 3 336.564 4.213 20 0 EIADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OCC ZINC000539269210 1038903746 /nfs/dbraw/zinc/90/37/46/1038903746.db2.gz CAWSSLQGGLLHGU-AEFFLSMTSA-N 1 3 334.504 4.009 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccc(OC)c1 ZINC000120447867 1039108452 /nfs/dbraw/zinc/10/84/52/1039108452.db2.gz DBWLVLLDQQCKLW-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000513882638 1039344883 /nfs/dbraw/zinc/34/48/83/1039344883.db2.gz MYLNQFIQCCADMP-QZTJIDSGSA-N 1 3 328.491 4.256 20 0 EIADHO C[N@@H+]1CCC[C@@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000555598317 1039425163 /nfs/dbraw/zinc/42/51/63/1039425163.db2.gz XTCHPSXKTQDHJU-GOSISDBHSA-N 1 3 338.948 4.240 20 0 EIADHO C[N@H+]1CCC[C@@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000555598317 1039425205 /nfs/dbraw/zinc/42/52/05/1039425205.db2.gz XTCHPSXKTQDHJU-GOSISDBHSA-N 1 3 338.948 4.240 20 0 EIADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000481669059 1039702112 /nfs/dbraw/zinc/70/21/12/1039702112.db2.gz KDMHJYXILWLHCI-KBMXLJTQSA-N 1 3 328.422 4.099 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000481734910 1039800140 /nfs/dbraw/zinc/80/01/40/1039800140.db2.gz XPIFMUXVOPGPFB-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000481734910 1039800150 /nfs/dbraw/zinc/80/01/50/1039800150.db2.gz XPIFMUXVOPGPFB-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO CSc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007503 1039861675 /nfs/dbraw/zinc/86/16/75/1039861675.db2.gz PDDBFXQQLZHQQE-UYAOXDASSA-N 1 3 326.509 4.334 20 0 EIADHO CSc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007503 1039861682 /nfs/dbraw/zinc/86/16/82/1039861682.db2.gz PDDBFXQQLZHQQE-UYAOXDASSA-N 1 3 326.509 4.334 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000551030155 1039886593 /nfs/dbraw/zinc/88/65/93/1039886593.db2.gz YNZGAFKZAWPTDG-MRXNPFEDSA-N 1 3 344.474 4.130 20 0 EIADHO Cc1cc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)ccc1F ZINC000553104204 1039991593 /nfs/dbraw/zinc/99/15/93/1039991593.db2.gz OXXJKYSYFWTFKY-LLGFUMIMSA-N 1 3 348.506 4.064 20 0 EIADHO Cc1cc([C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C2CC2)ccc1F ZINC000553104202 1039992922 /nfs/dbraw/zinc/99/29/22/1039992922.db2.gz OXXJKYSYFWTFKY-CBGDNZLLSA-N 1 3 348.506 4.064 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000514637713 1040074811 /nfs/dbraw/zinc/07/48/11/1040074811.db2.gz SLUWKGAHGLSIGF-XLIONFOSSA-N 1 3 343.559 4.300 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443009 1040251464 /nfs/dbraw/zinc/25/14/64/1040251464.db2.gz FCYNTBQBECHXDS-OALUTQOASA-N 1 3 328.525 4.353 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443009 1040251474 /nfs/dbraw/zinc/25/14/74/1040251474.db2.gz FCYNTBQBECHXDS-OALUTQOASA-N 1 3 328.525 4.353 20 0 EIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000482462793 1040272884 /nfs/dbraw/zinc/27/28/84/1040272884.db2.gz XMIQLEIDEPGICQ-PKOBYXMFSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000482462793 1040272902 /nfs/dbraw/zinc/27/29/02/1040272902.db2.gz XMIQLEIDEPGICQ-PKOBYXMFSA-N 1 3 328.525 4.272 20 0 EIADHO CCOc1ccc([C@H]2CCCN2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667487941 1040349469 /nfs/dbraw/zinc/34/94/69/1040349469.db2.gz MIKXVVQYRIQUBK-OAQYLSRUSA-N 1 3 348.450 4.003 20 0 EIADHO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667487941 1040349484 /nfs/dbraw/zinc/34/94/84/1040349484.db2.gz MIKXVVQYRIQUBK-OAQYLSRUSA-N 1 3 348.450 4.003 20 0 EIADHO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2ccncc2)cc1 ZINC000667487941 1040349501 /nfs/dbraw/zinc/34/95/01/1040349501.db2.gz MIKXVVQYRIQUBK-OAQYLSRUSA-N 1 3 348.450 4.003 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000482647707 1040408212 /nfs/dbraw/zinc/40/82/12/1040408212.db2.gz BMAQCEUHBIJGKV-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000482647707 1040408217 /nfs/dbraw/zinc/40/82/17/1040408217.db2.gz BMAQCEUHBIJGKV-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000668194369 1040644834 /nfs/dbraw/zinc/64/48/34/1040644834.db2.gz GMMAYUGHHPIXDZ-HXUWFJFHSA-N 1 3 341.524 4.036 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000668194369 1040644842 /nfs/dbraw/zinc/64/48/42/1040644842.db2.gz GMMAYUGHHPIXDZ-HXUWFJFHSA-N 1 3 341.524 4.036 20 0 EIADHO COc1cc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1SC ZINC000483204028 1040758721 /nfs/dbraw/zinc/75/87/21/1040758721.db2.gz RXSIJQNSJBXHRJ-RDTXWAMCSA-N 1 3 338.561 4.434 20 0 EIADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1OCC ZINC000480134181 1040997595 /nfs/dbraw/zinc/99/75/95/1040997595.db2.gz GGIRSNLFLDHERS-QGZVFWFLSA-N 1 3 334.504 4.011 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729137 1040998173 /nfs/dbraw/zinc/99/81/73/1040998173.db2.gz OLWXYLCKDDCTBF-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729137 1040998198 /nfs/dbraw/zinc/99/81/98/1040998198.db2.gz OLWXYLCKDDCTBF-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO CCN1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436282146 1041026776 /nfs/dbraw/zinc/02/67/76/1041026776.db2.gz QJNZACHVZSAAFW-GFCCVEGCSA-N 1 3 334.813 4.180 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000538103101 1041058046 /nfs/dbraw/zinc/05/80/46/1041058046.db2.gz UCVDGXKNAXNMFA-OFNKIYASSA-N 1 3 334.507 4.292 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000484280793 1041184634 /nfs/dbraw/zinc/18/46/34/1041184634.db2.gz TXDAZEMWWUPJOA-TZMCWYRMSA-N 1 3 333.303 4.001 20 0 EIADHO CCCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000540170832 1041214211 /nfs/dbraw/zinc/21/42/11/1041214211.db2.gz PQQFQAZQSDWNND-QRVBRYPASA-N 1 3 348.531 4.015 20 0 EIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCC(C)(C)C)c1ccccc1O2 ZINC000538295098 1041245869 /nfs/dbraw/zinc/24/58/69/1041245869.db2.gz YIGOWHYRAUUDSO-GOSISDBHSA-N 1 3 330.516 4.391 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484476812 1041270084 /nfs/dbraw/zinc/27/00/84/1041270084.db2.gz WPKQSXCAKRUKGY-CFVMTHIKSA-N 1 3 330.394 4.109 20 0 EIADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000554722030 1041363963 /nfs/dbraw/zinc/36/39/63/1041363963.db2.gz DJVVFMKVCLMZRO-BRWVUGGUSA-N 1 3 340.433 4.075 20 0 EIADHO COc1ccc([C@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1OC ZINC000924796830 1041394366 /nfs/dbraw/zinc/39/43/66/1041394366.db2.gz DIAWULFSVSFOLK-HOTGVXAUSA-N 1 3 342.483 4.177 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480668808 1041462182 /nfs/dbraw/zinc/46/21/82/1041462182.db2.gz WOZCBRVWDMKCSV-BZZMCLGOSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480668808 1041462188 /nfs/dbraw/zinc/46/21/88/1041462188.db2.gz WOZCBRVWDMKCSV-BZZMCLGOSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000538721710 1041493121 /nfs/dbraw/zinc/49/31/21/1041493121.db2.gz YWYFATFWPYQESG-QGZVFWFLSA-N 1 3 346.563 4.184 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000538721710 1041493123 /nfs/dbraw/zinc/49/31/23/1041493123.db2.gz YWYFATFWPYQESG-QGZVFWFLSA-N 1 3 346.563 4.184 20 0 EIADHO C[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040588 1041616901 /nfs/dbraw/zinc/61/69/01/1041616901.db2.gz DNZHJXOMVWBMAS-AOIWGVFYSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040588 1041616907 /nfs/dbraw/zinc/61/69/07/1041616907.db2.gz DNZHJXOMVWBMAS-AOIWGVFYSA-N 1 3 341.474 4.172 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870894 1041791108 /nfs/dbraw/zinc/79/11/08/1041791108.db2.gz QSAFYVMVNDUNRS-MRXNPFEDSA-N 1 3 349.569 4.084 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870894 1041791115 /nfs/dbraw/zinc/79/11/15/1041791115.db2.gz QSAFYVMVNDUNRS-MRXNPFEDSA-N 1 3 349.569 4.084 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425945127 1042033803 /nfs/dbraw/zinc/03/38/03/1042033803.db2.gz JOLZMWAQPTXENL-CHWSQXEVSA-N 1 3 335.492 4.106 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168438782 1042061318 /nfs/dbraw/zinc/06/13/18/1042061318.db2.gz ODZJDEQHKCYARD-SFTDATJTSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168438782 1042061322 /nfs/dbraw/zinc/06/13/22/1042061322.db2.gz ODZJDEQHKCYARD-SFTDATJTSA-N 1 3 330.491 4.023 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258745 1042436647 /nfs/dbraw/zinc/43/66/47/1042436647.db2.gz TYDROYGRANIVFW-AVRDEDQJSA-N 1 3 338.495 4.038 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258745 1042436655 /nfs/dbraw/zinc/43/66/55/1042436655.db2.gz TYDROYGRANIVFW-AVRDEDQJSA-N 1 3 338.495 4.038 20 0 EIADHO Fc1ccc(CSCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964574 1042639422 /nfs/dbraw/zinc/63/94/22/1042639422.db2.gz SVQZWUFVVGPDHI-IHWFROFDSA-N 1 3 348.531 4.054 20 0 EIADHO Fc1ccc(CSCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964574 1042639425 /nfs/dbraw/zinc/63/94/25/1042639425.db2.gz SVQZWUFVVGPDHI-IHWFROFDSA-N 1 3 348.531 4.054 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCC2=Cc3ccccc3OC2)cc1 ZINC000518770258 1042685410 /nfs/dbraw/zinc/68/54/10/1042685410.db2.gz FVRNLOJCADOALG-UHFFFAOYSA-N 1 3 336.479 4.094 20 0 EIADHO C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415005037 1042788145 /nfs/dbraw/zinc/78/81/45/1042788145.db2.gz OPBYEGCRVAZYDH-MOXGXCLJSA-N 1 3 346.515 4.191 20 0 EIADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000311007386 1042849936 /nfs/dbraw/zinc/84/99/36/1042849936.db2.gz WOYAWOMPCPZDHJ-VNTMZGSJSA-N 1 3 348.481 4.312 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(-c2cccs2)cc1 ZINC000665238150 1043139192 /nfs/dbraw/zinc/13/91/92/1043139192.db2.gz RPFIMRRVYFZMQD-AWEZNQCLSA-N 1 3 337.492 4.428 20 0 EIADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000347851107 1043215529 /nfs/dbraw/zinc/21/55/29/1043215529.db2.gz LOJSNAJSQLJNCZ-INIZCTEOSA-N 1 3 338.923 4.224 20 0 EIADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000186320983 1043268137 /nfs/dbraw/zinc/26/81/37/1043268137.db2.gz HEWLSXITCBHJEJ-XMSQKQJNSA-N 1 3 343.559 4.065 20 0 EIADHO CCC[N@H+](C)C[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674008001 1043285320 /nfs/dbraw/zinc/28/53/20/1043285320.db2.gz VODYWMWFEQKFOG-QGZVFWFLSA-N 1 3 342.449 4.302 20 0 EIADHO CCC[N@@H+](C)C[C@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674008001 1043285331 /nfs/dbraw/zinc/28/53/31/1043285331.db2.gz VODYWMWFEQKFOG-QGZVFWFLSA-N 1 3 342.449 4.302 20 0 EIADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000520974167 1043459522 /nfs/dbraw/zinc/45/95/22/1043459522.db2.gz RSXKKVMIKSUDEI-AWEZNQCLSA-N 1 3 334.916 4.500 20 0 EIADHO C[N@H+]1CCC[C@@H](CNCc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000520974167 1043459530 /nfs/dbraw/zinc/45/95/30/1043459530.db2.gz RSXKKVMIKSUDEI-AWEZNQCLSA-N 1 3 334.916 4.500 20 0 EIADHO CCCCN1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000521831460 1044000650 /nfs/dbraw/zinc/00/06/50/1044000650.db2.gz UXEIXIIKORLSLW-UHFFFAOYSA-N 1 3 330.516 4.362 20 0 EIADHO C[C@@H]1CC(NCC2(c3ccccn3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017574 1044309441 /nfs/dbraw/zinc/30/94/41/1044309441.db2.gz BDQWSGDSSPVRDP-RTBURBONSA-N 1 3 349.522 4.144 20 0 EIADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000069645320 1044368786 /nfs/dbraw/zinc/36/87/86/1044368786.db2.gz SRNHPZSJNZNYES-HNNXBMFYSA-N 1 3 332.875 4.131 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc21 ZINC000327016915 1044402989 /nfs/dbraw/zinc/40/29/89/1044402989.db2.gz HMJOJOWVVUOPHZ-WMZOPIPTSA-N 1 3 335.495 4.387 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc21 ZINC000327016915 1044403008 /nfs/dbraw/zinc/40/30/08/1044403008.db2.gz HMJOJOWVVUOPHZ-WMZOPIPTSA-N 1 3 335.495 4.387 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3c2ccc(OC)c3F)c1 ZINC000675728664 1044460133 /nfs/dbraw/zinc/46/01/33/1044460133.db2.gz SRVJWOIRWZOWOG-IBGZPJMESA-N 1 3 342.458 4.063 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3c2ccc(OC)c3F)c1 ZINC000675728664 1044460150 /nfs/dbraw/zinc/46/01/50/1044460150.db2.gz SRVJWOIRWZOWOG-IBGZPJMESA-N 1 3 342.458 4.063 20 0 EIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728290 1044461299 /nfs/dbraw/zinc/46/12/99/1044461299.db2.gz FVLGTTIIQYEYGU-JXFKEZNVSA-N 1 3 325.500 4.255 20 0 EIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728290 1044461303 /nfs/dbraw/zinc/46/13/03/1044461303.db2.gz FVLGTTIIQYEYGU-JXFKEZNVSA-N 1 3 325.500 4.255 20 0 EIADHO CC[NH+]1CCC(CCN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000543402734 1044523728 /nfs/dbraw/zinc/52/37/28/1044523728.db2.gz NARGIGBEIFUSKD-OAQYLSRUSA-N 1 3 341.474 4.022 20 0 EIADHO Clc1cccc2c1SCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000360434019 1044713369 /nfs/dbraw/zinc/71/33/69/1044713369.db2.gz REBJESFCTWZBRT-QGZVFWFLSA-N 1 3 336.932 4.341 20 0 EIADHO C[NH+](C)Cc1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000428863295 1044759598 /nfs/dbraw/zinc/75/95/98/1044759598.db2.gz XXPUTYXZRAUQDQ-UHFFFAOYSA-N 1 3 328.403 4.118 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000509069619 1045055955 /nfs/dbraw/zinc/05/59/55/1045055955.db2.gz LDCIJLFNCAIJGV-FYYLOGMGSA-N 1 3 334.507 4.235 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000509069619 1045055963 /nfs/dbraw/zinc/05/59/63/1045055963.db2.gz LDCIJLFNCAIJGV-FYYLOGMGSA-N 1 3 334.507 4.235 20 0 EIADHO Cc1nc([C@H](C)N2CC[C@H](C[NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000923494881 1045135839 /nfs/dbraw/zinc/13/58/39/1045135839.db2.gz PYRMSXMOXSPFOQ-DUVNUKRYSA-N 1 3 347.890 4.281 20 0 EIADHO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000542567526 1045334215 /nfs/dbraw/zinc/33/42/15/1045334215.db2.gz ZTSCPPKJVFINIK-SOUVJXGZSA-N 1 3 328.422 4.271 20 0 EIADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nc(C(C)(C)C)cs1 ZINC000459401755 1046597222 /nfs/dbraw/zinc/59/72/22/1046597222.db2.gz DXMOQFSKLMGSPV-CQSZACIVSA-N 1 3 344.528 4.155 20 0 EIADHO C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000459434932 1046646100 /nfs/dbraw/zinc/64/61/00/1046646100.db2.gz VOBYAXYGIDRIDZ-CYBMUJFWSA-N 1 3 333.838 4.194 20 0 EIADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000536777235 1046772604 /nfs/dbraw/zinc/77/26/04/1046772604.db2.gz QZPHIAKSIAOZFX-INIZCTEOSA-N 1 3 349.588 4.431 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000536860580 1046828307 /nfs/dbraw/zinc/82/83/07/1046828307.db2.gz YXDMWRCWYDDBLW-ZNMIVQPWSA-N 1 3 342.886 4.019 20 0 EIADHO CC(C)CCC[C@@H](C)[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001170079618 1047064995 /nfs/dbraw/zinc/06/49/95/1047064995.db2.gz DYXMDFFDFCIEHM-LJQANCHMSA-N 1 3 346.563 4.065 20 0 EIADHO CCCN1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556406672 1047737747 /nfs/dbraw/zinc/73/77/47/1047737747.db2.gz ARFGFIVIOCYXKK-UHFFFAOYSA-N 1 3 349.931 4.428 20 0 EIADHO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000824775079 1047935364 /nfs/dbraw/zinc/93/53/64/1047935364.db2.gz YFVHBNRDGSHPJV-XIRDDKMYSA-N 1 3 341.326 4.071 20 0 EIADHO CCCCN1CCC([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136942202 1047966501 /nfs/dbraw/zinc/96/65/01/1047966501.db2.gz ZHFGWUJUOAJULM-UHFFFAOYSA-N 1 3 340.458 4.027 20 0 EIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136942202 1047966536 /nfs/dbraw/zinc/96/65/36/1047966536.db2.gz ZHFGWUJUOAJULM-UHFFFAOYSA-N 1 3 340.458 4.027 20 0 EIADHO COc1ccc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1OC ZINC000556871737 1048089814 /nfs/dbraw/zinc/08/98/14/1048089814.db2.gz WSCZTVCTFHVERA-MAUKXSAKSA-N 1 3 336.520 4.029 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887850 1048099691 /nfs/dbraw/zinc/09/96/91/1048099691.db2.gz MGQXTUWWPAZQGA-QXAKKESOSA-N 1 3 334.454 4.065 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887850 1048099706 /nfs/dbraw/zinc/09/97/06/1048099706.db2.gz MGQXTUWWPAZQGA-QXAKKESOSA-N 1 3 334.454 4.065 20 0 EIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171149489 1048483053 /nfs/dbraw/zinc/48/30/53/1048483053.db2.gz WOBJQIPDRAGXTI-BZUAXINKSA-N 1 3 341.326 4.313 20 0 EIADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(N4CCCCC4)ccn3)c2c1 ZINC001171164795 1048606986 /nfs/dbraw/zinc/60/69/86/1048606986.db2.gz HDLLYRAUYKRJCD-KRWDZBQOSA-N 1 3 348.494 4.214 20 0 EIADHO C[C@@H]1C[C@H](NCc2cccc3cc[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000237492675 1048952834 /nfs/dbraw/zinc/95/28/34/1048952834.db2.gz JOSAJMPZFNWJTB-DYESRHJHSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@H](NCc2cccc3cc[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000237492675 1048952844 /nfs/dbraw/zinc/95/28/44/1048952844.db2.gz JOSAJMPZFNWJTB-DYESRHJHSA-N 1 3 333.479 4.311 20 0 EIADHO CCCN(Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246846794 1049022401 /nfs/dbraw/zinc/02/24/01/1049022401.db2.gz QBOGFYHJWBYZPK-MRXNPFEDSA-N 1 3 339.321 4.192 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000817900667 1049056224 /nfs/dbraw/zinc/05/62/24/1049056224.db2.gz UYNHKSFFUVJSKB-GXTWGEPZSA-N 1 3 325.481 4.475 20 0 EIADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCC2 ZINC000817907246 1049057288 /nfs/dbraw/zinc/05/72/88/1049057288.db2.gz SVICRDOEFWQJBA-JFJYTDJESA-N 1 3 348.490 4.082 20 0 EIADHO C[C@H]([NH3+])C[C@H](C)NCCCN1c2ccccc2Sc2ccccc21 ZINC000817913013 1049059474 /nfs/dbraw/zinc/05/94/74/1049059474.db2.gz TYPAKHZJVZHTOH-HOTGVXAUSA-N 1 3 341.524 4.395 20 0 EIADHO CC(C)c1cccc2c1OCCC[C@H]2NCc1ccc(CC[NH3+])cc1 ZINC000817947373 1049064452 /nfs/dbraw/zinc/06/44/52/1049064452.db2.gz CZEZBJIWDHZNOC-OAQYLSRUSA-N 1 3 338.495 4.315 20 0 EIADHO [NH3+]CCc1ccc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000817949954 1049067408 /nfs/dbraw/zinc/06/74/08/1049067408.db2.gz UVTOHZXKXZPIAM-QGZVFWFLSA-N 1 3 335.278 4.272 20 0 EIADHO [NH3+]CCc1ccc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000817949953 1049067627 /nfs/dbraw/zinc/06/76/27/1049067627.db2.gz UVTOHZXKXZPIAM-KRWDZBQOSA-N 1 3 335.278 4.272 20 0 EIADHO COc1cc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])ccc1SC(F)F ZINC000817960104 1049069227 /nfs/dbraw/zinc/06/92/27/1049069227.db2.gz KNYMNEZWLGMZAZ-UBHSHLNASA-N 1 3 344.471 4.178 20 0 EIADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000817967838 1049072614 /nfs/dbraw/zinc/07/26/14/1049072614.db2.gz CSNFXXATLNUJKQ-BBRMVZONSA-N 1 3 326.456 4.110 20 0 EIADHO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000817979526 1049078574 /nfs/dbraw/zinc/07/85/74/1049078574.db2.gz LHUMWABOQUDGKC-QILLFSRXSA-N 1 3 338.536 4.029 20 0 EIADHO C[C@@H](CSC(C)(C)C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000817979526 1049078582 /nfs/dbraw/zinc/07/85/82/1049078582.db2.gz LHUMWABOQUDGKC-QILLFSRXSA-N 1 3 338.536 4.029 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001170677633 1049466780 /nfs/dbraw/zinc/46/67/80/1049466780.db2.gz QUWLADJSYQXHDA-IBGZPJMESA-N 1 3 348.481 4.066 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001170677633 1049466788 /nfs/dbraw/zinc/46/67/88/1049466788.db2.gz QUWLADJSYQXHDA-IBGZPJMESA-N 1 3 348.481 4.066 20 0 EIADHO Fc1cccc2c1CC[C@@H](N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001171434021 1049674311 /nfs/dbraw/zinc/67/43/11/1049674311.db2.gz PMPLLEMGYBUIAV-RTBURBONSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171434021 1049674324 /nfs/dbraw/zinc/67/43/24/1049674324.db2.gz PMPLLEMGYBUIAV-RTBURBONSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171434021 1049674339 /nfs/dbraw/zinc/67/43/39/1049674339.db2.gz PMPLLEMGYBUIAV-RTBURBONSA-N 1 3 330.491 4.023 20 0 EIADHO FC1(F)CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716704540 1049703608 /nfs/dbraw/zinc/70/36/08/1049703608.db2.gz GIHUGJXMZINIDQ-RDGPPVDQSA-N 1 3 334.454 4.065 20 0 EIADHO C[NH+](C)CC[C@H](N[C@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001171454972 1049708890 /nfs/dbraw/zinc/70/88/90/1049708890.db2.gz XXYISNKAVNGLTM-RXVVDRJESA-N 1 3 344.449 4.105 20 0 EIADHO CN1C(C)(C)CC([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC1(C)C ZINC001171628572 1049762566 /nfs/dbraw/zinc/76/25/66/1049762566.db2.gz BLJNBYMPXYPFIP-UHFFFAOYSA-N 1 3 348.375 4.358 20 0 EIADHO C[C@H](N)c1ncc(-c2ccccc2)n1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623867 1049767820 /nfs/dbraw/zinc/76/78/20/1049767820.db2.gz HZJBJDYGHXOAFN-HNNXBMFYSA-N 1 3 340.515 4.394 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1(C)C ZINC001171640035 1049779960 /nfs/dbraw/zinc/77/99/60/1049779960.db2.gz ZXYCUUNCSIXLQH-GOSISDBHSA-N 1 3 332.557 4.428 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCSC[C@@H]2c2ccccc2)CC1(C)C ZINC001171640035 1049779963 /nfs/dbraw/zinc/77/99/63/1049779963.db2.gz ZXYCUUNCSIXLQH-GOSISDBHSA-N 1 3 332.557 4.428 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CC(F)(F)C2)ccc1OC ZINC000813872734 1049827732 /nfs/dbraw/zinc/82/77/32/1049827732.db2.gz KFINHISYUGGLFQ-AWEZNQCLSA-N 1 3 340.458 4.233 20 0 EIADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC000813881283 1049830434 /nfs/dbraw/zinc/83/04/34/1049830434.db2.gz NELUWNOIFSTXJW-XSLAUPDRSA-N 1 3 335.495 4.318 20 0 EIADHO C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976988 1049836973 /nfs/dbraw/zinc/83/69/73/1049836973.db2.gz PLFBORXZKNMHSO-AEFFLSMTSA-N 1 3 336.470 4.407 20 0 EIADHO C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976988 1049836974 /nfs/dbraw/zinc/83/69/74/1049836974.db2.gz PLFBORXZKNMHSO-AEFFLSMTSA-N 1 3 336.470 4.407 20 0 EIADHO CN(C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171014369 1049841321 /nfs/dbraw/zinc/84/13/21/1049841321.db2.gz YYMBIIVXFTWQNB-HXUWFJFHSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171014369 1049841326 /nfs/dbraw/zinc/84/13/26/1049841326.db2.gz YYMBIIVXFTWQNB-HXUWFJFHSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001171014369 1049841330 /nfs/dbraw/zinc/84/13/30/1049841330.db2.gz YYMBIIVXFTWQNB-HXUWFJFHSA-N 1 3 344.518 4.412 20 0 EIADHO Cc1ccncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061098 1049841851 /nfs/dbraw/zinc/84/18/51/1049841851.db2.gz FNIOUNMDWPGFEB-KOUNCHBCSA-N 1 3 335.495 4.065 20 0 EIADHO CN(C[C@@H]1CCCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076441 1049844726 /nfs/dbraw/zinc/84/47/26/1049844726.db2.gz YOKNTWVFPLFCQJ-LRSLUSHPSA-N 1 3 342.527 4.073 20 0 EIADHO CN(C[C@@H]1CCCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076441 1049844729 /nfs/dbraw/zinc/84/47/29/1049844729.db2.gz YOKNTWVFPLFCQJ-LRSLUSHPSA-N 1 3 342.527 4.073 20 0 EIADHO CC(C)[N@H+]([C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(C)(C)CN ZINC001172079168 1049846716 /nfs/dbraw/zinc/84/67/16/1049846716.db2.gz MPWZEBRRXDPQCZ-AERCQKQUSA-N 1 3 343.559 4.020 20 0 EIADHO CC(C)[N@@H+]([C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(C)(C)CN ZINC001172079168 1049846719 /nfs/dbraw/zinc/84/67/19/1049846719.db2.gz MPWZEBRRXDPQCZ-AERCQKQUSA-N 1 3 343.559 4.020 20 0 EIADHO C[N@H+](Cc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069523 1049852431 /nfs/dbraw/zinc/85/24/31/1049852431.db2.gz QURDBUGSCQTPRB-KOUNCHBCSA-N 1 3 335.495 4.099 20 0 EIADHO C[N@@H+](Cc1ccncc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069523 1049852432 /nfs/dbraw/zinc/85/24/32/1049852432.db2.gz QURDBUGSCQTPRB-KOUNCHBCSA-N 1 3 335.495 4.099 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC001172105745 1049856944 /nfs/dbraw/zinc/85/69/44/1049856944.db2.gz KARUCVQYMGEBFW-MUJYYYPQSA-N 1 3 346.824 4.464 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC001172104766 1049857008 /nfs/dbraw/zinc/85/70/08/1049857008.db2.gz FZVDUDLMWFEPMS-VDNDLQMASA-N 1 3 337.305 4.115 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001172104766 1049857014 /nfs/dbraw/zinc/85/70/14/1049857014.db2.gz FZVDUDLMWFEPMS-VDNDLQMASA-N 1 3 337.305 4.115 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC001172108182 1049857030 /nfs/dbraw/zinc/85/70/30/1049857030.db2.gz REOSQAJJWQODAB-SJWGOKEGSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC001172108182 1049857031 /nfs/dbraw/zinc/85/70/31/1049857031.db2.gz REOSQAJJWQODAB-SJWGOKEGSA-N 1 3 326.406 4.371 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000246902203 1050005290 /nfs/dbraw/zinc/00/52/90/1050005290.db2.gz FLKUXUWKOIVNGJ-CHWSQXEVSA-N 1 3 345.350 4.282 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000248410270 1050055849 /nfs/dbraw/zinc/05/58/49/1050055849.db2.gz XWFVSDGZTDXWMT-LXZJYRNTSA-N 1 3 344.543 4.430 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000248410269 1050055913 /nfs/dbraw/zinc/05/59/13/1050055913.db2.gz XWFVSDGZTDXWMT-AJYBTWMASA-N 1 3 344.543 4.430 20 0 EIADHO c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001177181039 1050164552 /nfs/dbraw/zinc/16/45/52/1050164552.db2.gz UTAGWSPLQGVONQ-IBGZPJMESA-N 1 3 326.528 4.493 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(NCc2cc3ccccc3n2C)CC1 ZINC001177315287 1050189948 /nfs/dbraw/zinc/18/99/48/1050189948.db2.gz SOSXPGDPWBYOLW-UHFFFAOYSA-N 1 3 347.506 4.241 20 0 EIADHO C[C@@H](CSc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC001172881693 1050223152 /nfs/dbraw/zinc/22/31/52/1050223152.db2.gz HOXNYGBYSAZFRG-HNNXBMFYSA-N 1 3 326.937 4.286 20 0 EIADHO C1CCC2(CC1)CCC([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001173119125 1050315881 /nfs/dbraw/zinc/31/58/81/1050315881.db2.gz XGWJJEXZTVKMOM-KESTWPANSA-N 1 3 334.548 4.113 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000253355222 1050454662 /nfs/dbraw/zinc/45/46/62/1050454662.db2.gz FBVDPBPAPAFXNI-CHWSQXEVSA-N 1 3 345.350 4.282 20 0 EIADHO Cc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1Oc1ccccc1 ZINC001206209689 1050536360 /nfs/dbraw/zinc/53/63/60/1050536360.db2.gz IBHJEAWSWLQLRE-OALUTQOASA-N 1 3 328.431 4.049 20 0 EIADHO Cc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1Oc1ccccc1 ZINC001206209689 1050536371 /nfs/dbraw/zinc/53/63/71/1050536371.db2.gz IBHJEAWSWLQLRE-OALUTQOASA-N 1 3 328.431 4.049 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccsc2)ccc1OC ZINC000182423740 1050651129 /nfs/dbraw/zinc/65/11/29/1050651129.db2.gz JPMMXTUSPBJOBI-HNNXBMFYSA-N 1 3 332.513 4.449 20 0 EIADHO CC(C)[C@@H](CN[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC001179636701 1050745631 /nfs/dbraw/zinc/74/56/31/1050745631.db2.gz KLKVFUZTLXWNQM-NHCUHLMSSA-N 1 3 325.500 4.104 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378985 1051170308 /nfs/dbraw/zinc/17/03/08/1051170308.db2.gz OTMRNVPXJFQJPN-CXAGYDPISA-N 1 3 340.483 4.310 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378985 1051170315 /nfs/dbraw/zinc/17/03/15/1051170315.db2.gz OTMRNVPXJFQJPN-CXAGYDPISA-N 1 3 340.483 4.310 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378985 1051170321 /nfs/dbraw/zinc/17/03/21/1051170321.db2.gz OTMRNVPXJFQJPN-CXAGYDPISA-N 1 3 340.483 4.310 20 0 EIADHO c1cc2cc(CNC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000385729274 1051174285 /nfs/dbraw/zinc/17/42/85/1051174285.db2.gz KHFVLPPQPCPLAU-FQEVSTJZSA-N 1 3 333.479 4.170 20 0 EIADHO c1cc2cc(CNC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000385729274 1051174292 /nfs/dbraw/zinc/17/42/92/1051174292.db2.gz KHFVLPPQPCPLAU-FQEVSTJZSA-N 1 3 333.479 4.170 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388772 1051187034 /nfs/dbraw/zinc/18/70/34/1051187034.db2.gz TVIZAXSSTPSNNB-CXAGYDPISA-N 1 3 340.483 4.310 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388772 1051187038 /nfs/dbraw/zinc/18/70/38/1051187038.db2.gz TVIZAXSSTPSNNB-CXAGYDPISA-N 1 3 340.483 4.310 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)NCCC(F)(F)F)ccc1OC ZINC000775394585 1051209359 /nfs/dbraw/zinc/20/93/59/1051209359.db2.gz GFTTZUSNJYAWDW-ZDUSSCGKSA-N 1 3 332.410 4.140 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)ccc1OC ZINC000775398524 1051228162 /nfs/dbraw/zinc/22/81/62/1051228162.db2.gz AKWVPSSFMLKQPC-FGTMMUONSA-N 1 3 348.531 4.003 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H](C)c2ccc[nH]2)ccc1OC ZINC000775425329 1051316977 /nfs/dbraw/zinc/31/69/77/1051316977.db2.gz XTDBTCFPNWNQAY-HOTGVXAUSA-N 1 3 329.488 4.277 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158102938 1051709719 /nfs/dbraw/zinc/70/97/19/1051709719.db2.gz BFFSAQLGOJJYKT-KBPBESRZSA-N 1 3 328.472 4.036 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158102938 1051709740 /nfs/dbraw/zinc/70/97/40/1051709740.db2.gz BFFSAQLGOJJYKT-KBPBESRZSA-N 1 3 328.472 4.036 20 0 EIADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001183094091 1051785540 /nfs/dbraw/zinc/78/55/40/1051785540.db2.gz HAORXWSGVHPCMQ-UYAOXDASSA-N 1 3 328.544 4.454 20 0 EIADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001183094090 1051786798 /nfs/dbraw/zinc/78/67/98/1051786798.db2.gz HAORXWSGVHPCMQ-QUCCMNQESA-N 1 3 328.544 4.454 20 0 EIADHO CCc1noc(C)c1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158979129 1051803836 /nfs/dbraw/zinc/80/38/36/1051803836.db2.gz JONILGCIXCHSLZ-MRXNPFEDSA-N 1 3 333.520 4.022 20 0 EIADHO CCc1noc(C)c1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158979129 1051803838 /nfs/dbraw/zinc/80/38/38/1051803838.db2.gz JONILGCIXCHSLZ-MRXNPFEDSA-N 1 3 333.520 4.022 20 0 EIADHO CCc1ccccc1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001193095557 1051876259 /nfs/dbraw/zinc/87/62/59/1051876259.db2.gz YWBAEHCFDNRNQZ-MOJGAOKDSA-N 1 3 336.523 4.495 20 0 EIADHO CCc1ccccc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001193095557 1051876263 /nfs/dbraw/zinc/87/62/63/1051876263.db2.gz YWBAEHCFDNRNQZ-MOJGAOKDSA-N 1 3 336.523 4.495 20 0 EIADHO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)C[N@H+](C)CC ZINC001193974318 1052035458 /nfs/dbraw/zinc/03/54/58/1052035458.db2.gz BOIUGEMZNICWEB-RTBURBONSA-N 1 3 340.939 4.062 20 0 EIADHO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)C[N@@H+](C)CC ZINC001193974318 1052035463 /nfs/dbraw/zinc/03/54/63/1052035463.db2.gz BOIUGEMZNICWEB-RTBURBONSA-N 1 3 340.939 4.062 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C(C)(C)O)cc1 ZINC000296680146 1052091274 /nfs/dbraw/zinc/09/12/74/1052091274.db2.gz IDKCSJMJXKRKCW-UHFFFAOYSA-N 1 3 340.511 4.046 20 0 EIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385673 1052641989 /nfs/dbraw/zinc/64/19/89/1052641989.db2.gz XZRGTOWCEFICPH-WMLDXEAASA-N 1 3 338.442 4.128 20 0 EIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385673 1052641992 /nfs/dbraw/zinc/64/19/92/1052641992.db2.gz XZRGTOWCEFICPH-WMLDXEAASA-N 1 3 338.442 4.128 20 0 EIADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656913 1052697997 /nfs/dbraw/zinc/69/79/97/1052697997.db2.gz FMWKFQBMRXWOLV-QZFKAFNDSA-N 1 3 338.442 4.013 20 0 EIADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656913 1052697999 /nfs/dbraw/zinc/69/79/99/1052697999.db2.gz FMWKFQBMRXWOLV-QZFKAFNDSA-N 1 3 338.442 4.013 20 0 EIADHO Clc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178254337 1052703245 /nfs/dbraw/zinc/70/32/45/1052703245.db2.gz KDAYTCXPFVDXTJ-SFHVURJKSA-N 1 3 334.891 4.018 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCN1CCCC1 ZINC000178414034 1052706094 /nfs/dbraw/zinc/70/60/94/1052706094.db2.gz BSAOBPCDYVFEFT-HNNXBMFYSA-N 1 3 329.513 4.255 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000623866515 1052825005 /nfs/dbraw/zinc/82/50/05/1052825005.db2.gz YQOTVWTZTDGIBY-LCLWPZTBSA-N 1 3 348.531 4.445 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000623866515 1052825006 /nfs/dbraw/zinc/82/50/06/1052825006.db2.gz YQOTVWTZTDGIBY-LCLWPZTBSA-N 1 3 348.531 4.445 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000624120498 1052867475 /nfs/dbraw/zinc/86/74/75/1052867475.db2.gz ALQHHGVSMURXMY-CABCVRRESA-N 1 3 344.421 4.010 20 0 EIADHO C[C@H]1C[C@@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@@H+]1C ZINC000181798911 1052898355 /nfs/dbraw/zinc/89/83/55/1052898355.db2.gz KQODMOVTXGVFBR-BBRMVZONSA-N 1 3 349.931 4.078 20 0 EIADHO C[C@H]1C[C@@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@H+]1C ZINC000181798911 1052898357 /nfs/dbraw/zinc/89/83/57/1052898357.db2.gz KQODMOVTXGVFBR-BBRMVZONSA-N 1 3 349.931 4.078 20 0 EIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000195138984 1053052533 /nfs/dbraw/zinc/05/25/33/1053052533.db2.gz HNOFEUCVUDALQA-SIKLNZKXSA-N 1 3 335.495 4.045 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000195138984 1053052538 /nfs/dbraw/zinc/05/25/38/1053052538.db2.gz HNOFEUCVUDALQA-SIKLNZKXSA-N 1 3 335.495 4.045 20 0 EIADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000381195274 1053057551 /nfs/dbraw/zinc/05/75/51/1053057551.db2.gz ZVBSNEPYWJPDKP-FKBYEOEOSA-N 1 3 344.543 4.082 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)ccn1 ZINC000850516353 1053279116 /nfs/dbraw/zinc/27/91/16/1053279116.db2.gz BTOSQUNGOSPLGX-YPAWHYETSA-N 1 3 341.543 4.242 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2ccoc2)ccc1OC ZINC000850532320 1053294978 /nfs/dbraw/zinc/29/49/78/1053294978.db2.gz SJCDDAPECJLKGG-INIZCTEOSA-N 1 3 330.472 4.023 20 0 EIADHO CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000386416531 1053713743 /nfs/dbraw/zinc/71/37/43/1053713743.db2.gz YTOLFOWGZUAATJ-WIYYLYMNSA-N 1 3 338.495 4.086 20 0 EIADHO C[NH+](C)CCCC(C)(C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000387363695 1053892481 /nfs/dbraw/zinc/89/24/81/1053892481.db2.gz VGWIXOSNDKQINH-UHFFFAOYSA-N 1 3 335.492 4.159 20 0 EIADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559698 1054084295 /nfs/dbraw/zinc/08/42/95/1054084295.db2.gz SMUOPAJPWAIMNW-WIYYLYMNSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559698 1054084307 /nfs/dbraw/zinc/08/43/07/1054084307.db2.gz SMUOPAJPWAIMNW-WIYYLYMNSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)(C)[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC001198799942 1054272214 /nfs/dbraw/zinc/27/22/14/1054272214.db2.gz GFCOXHSTTMXWMR-OAQYLSRUSA-N 1 3 344.543 4.310 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC001199336845 1054388753 /nfs/dbraw/zinc/38/87/53/1054388753.db2.gz YJBHKSNGDUFIBC-CQSZACIVSA-N 1 3 344.421 4.171 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC001199336845 1054388761 /nfs/dbraw/zinc/38/87/61/1054388761.db2.gz YJBHKSNGDUFIBC-CQSZACIVSA-N 1 3 344.421 4.171 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(SC(F)F)cc1 ZINC000858490897 1054499490 /nfs/dbraw/zinc/49/94/90/1054499490.db2.gz RUNKDZPYWUVZSI-UONOGXRCSA-N 1 3 328.472 4.384 20 0 EIADHO Nc1c(Cl)cccc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000876901247 1054980487 /nfs/dbraw/zinc/98/04/87/1054980487.db2.gz AMGXMKTXVWKYEQ-UHFFFAOYSA-N 1 3 343.902 4.198 20 0 EIADHO CN(C)[C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)CC1 ZINC000429552929 1055130433 /nfs/dbraw/zinc/13/04/33/1055130433.db2.gz ZRYMFNYZUWLLLV-LJQANCHMSA-N 1 3 326.484 4.025 20 0 EIADHO CN(C)[C@@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)CC1 ZINC000429552929 1055130436 /nfs/dbraw/zinc/13/04/36/1055130436.db2.gz ZRYMFNYZUWLLLV-LJQANCHMSA-N 1 3 326.484 4.025 20 0 EIADHO CN(C)[C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)CC1 ZINC000429552928 1055131084 /nfs/dbraw/zinc/13/10/84/1055131084.db2.gz ZRYMFNYZUWLLLV-IBGZPJMESA-N 1 3 326.484 4.025 20 0 EIADHO CN(C)[C@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)CC1 ZINC000429552928 1055131090 /nfs/dbraw/zinc/13/10/90/1055131090.db2.gz ZRYMFNYZUWLLLV-IBGZPJMESA-N 1 3 326.484 4.025 20 0 EIADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)sc1Br ZINC000623657313 1055533964 /nfs/dbraw/zinc/53/39/64/1055533964.db2.gz NKFOECRTFJJQEL-OLZOCXBDSA-N 1 3 345.350 4.202 20 0 EIADHO CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCCC[NH+](C)C ZINC000742734056 1058747623 /nfs/dbraw/zinc/74/76/23/1058747623.db2.gz CPCNCAINWLMUNS-UHFFFAOYSA-N 1 3 348.922 4.081 20 0 EIADHO CC[N@H+](C[C@H]1CC1(Cl)Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743873774 1059191882 /nfs/dbraw/zinc/19/18/82/1059191882.db2.gz VCRGOBKRBQMJMO-IAGOWNOFSA-N 1 3 341.326 4.024 20 0 EIADHO CC[N@@H+](C[C@H]1CC1(Cl)Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743873774 1059191906 /nfs/dbraw/zinc/19/19/06/1059191906.db2.gz VCRGOBKRBQMJMO-IAGOWNOFSA-N 1 3 341.326 4.024 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001169092641 1060633148 /nfs/dbraw/zinc/63/31/48/1060633148.db2.gz BYPCNYVCMSFGNR-XYYAHUGASA-N 1 3 332.797 4.074 20 0 EIADHO Cc1ccc(C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC001169109014 1060657633 /nfs/dbraw/zinc/65/76/33/1060657633.db2.gz GCLNYHFHOLMSNX-BJESRGMDSA-N 1 3 334.507 4.494 20 0 EIADHO Cc1ccc(C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC001169109014 1060657635 /nfs/dbraw/zinc/65/76/35/1060657635.db2.gz GCLNYHFHOLMSNX-BJESRGMDSA-N 1 3 334.507 4.494 20 0 EIADHO CC1(C)C[C@@H](Nc2cc(CN3CCCCC3)ccn2)C[C@](C)(C[NH3+])C1 ZINC001169140942 1060659795 /nfs/dbraw/zinc/65/97/95/1060659795.db2.gz ICECNJSBYUWCRV-NQIIRXRSSA-N 1 3 344.547 4.023 20 0 EIADHO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC[C@H]2CCCCN2C)CC1 ZINC000532726849 1032278083 /nfs/dbraw/zinc/27/80/83/1032278083.db2.gz GPYQFUPCQCROKB-LJQANCHMSA-N 1 3 337.511 4.440 20 0 EIADHO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC[C@H]2CCCCN2C)CC1 ZINC000532726849 1032278096 /nfs/dbraw/zinc/27/80/96/1032278096.db2.gz GPYQFUPCQCROKB-LJQANCHMSA-N 1 3 337.511 4.440 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000760161691 1032484686 /nfs/dbraw/zinc/48/46/86/1032484686.db2.gz ZDVFOMBJNWWUQH-OLZOCXBDSA-N 1 3 344.330 4.347 20 0 EIADHO CC(C)Oc1ccc2nccc(N3CCC4(CCC[N@@H+]4C)CC3)c2c1 ZINC000450422179 1032492684 /nfs/dbraw/zinc/49/26/84/1032492684.db2.gz UPGACUYKNWQYTH-UHFFFAOYSA-N 1 3 339.483 4.087 20 0 EIADHO CC(C)Oc1ccc2nccc(N3CCC4(CCC[N@H+]4C)CC3)c2c1 ZINC000450422179 1032492687 /nfs/dbraw/zinc/49/26/87/1032492687.db2.gz UPGACUYKNWQYTH-UHFFFAOYSA-N 1 3 339.483 4.087 20 0 EIADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCCC1(F)F ZINC000450455629 1032511441 /nfs/dbraw/zinc/51/14/41/1032511441.db2.gz OFYUOHGZROAWRC-MOPGFXCFSA-N 1 3 336.470 4.266 20 0 EIADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCCC1(F)F ZINC000450455629 1032511448 /nfs/dbraw/zinc/51/14/48/1032511448.db2.gz OFYUOHGZROAWRC-MOPGFXCFSA-N 1 3 336.470 4.266 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760169508 1032541996 /nfs/dbraw/zinc/54/19/96/1032541996.db2.gz FTABMJUJTZZBEF-GFCCVEGCSA-N 1 3 344.330 4.491 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2ccc(C(C)=O)cc2)CC1)CC1CC1 ZINC000450654973 1032624088 /nfs/dbraw/zinc/62/40/88/1032624088.db2.gz SLSXARYVDGNLSW-UHFFFAOYSA-N 1 3 342.527 4.223 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2ccc(C(C)=O)cc2)CC1)CC1CC1 ZINC000450654973 1032624102 /nfs/dbraw/zinc/62/41/02/1032624102.db2.gz SLSXARYVDGNLSW-UHFFFAOYSA-N 1 3 342.527 4.223 20 0 EIADHO c1ccc(CSCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535627063 1020013697 /nfs/dbraw/zinc/01/36/97/1020013697.db2.gz RPBWSOVUWQQMQL-FPOVZHCZSA-N 1 3 344.568 4.259 20 0 EIADHO c1ccc(CSCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535627063 1020013713 /nfs/dbraw/zinc/01/37/13/1020013713.db2.gz RPBWSOVUWQQMQL-FPOVZHCZSA-N 1 3 344.568 4.259 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000180122735 1020063164 /nfs/dbraw/zinc/06/31/64/1020063164.db2.gz HBULNHDZYBLIAO-UHFFFAOYSA-N 1 3 340.515 4.021 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000180122735 1020063176 /nfs/dbraw/zinc/06/31/76/1020063176.db2.gz HBULNHDZYBLIAO-UHFFFAOYSA-N 1 3 340.515 4.021 20 0 EIADHO CCc1cnc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)s1 ZINC000340492278 1021137455 /nfs/dbraw/zinc/13/74/55/1021137455.db2.gz YMOHLYXJBKKDMV-UHFFFAOYSA-N 1 3 343.540 4.238 20 0 EIADHO CCc1cnc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000340492278 1021137461 /nfs/dbraw/zinc/13/74/61/1021137461.db2.gz YMOHLYXJBKKDMV-UHFFFAOYSA-N 1 3 343.540 4.238 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000125826724 1021310888 /nfs/dbraw/zinc/31/08/88/1021310888.db2.gz UOBHUIYPOZZHSX-LSDHHAIUSA-N 1 3 326.431 4.059 20 0 EIADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184742 1022060904 /nfs/dbraw/zinc/06/09/04/1022060904.db2.gz OGHHKRXIAGNJHC-HOTGVXAUSA-N 1 3 329.513 4.193 20 0 EIADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184742 1022060921 /nfs/dbraw/zinc/06/09/21/1022060921.db2.gz OGHHKRXIAGNJHC-HOTGVXAUSA-N 1 3 329.513 4.193 20 0 EIADHO c1sc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000647542954 1022779232 /nfs/dbraw/zinc/77/92/32/1022779232.db2.gz FGGLESDVRQDVKT-QZTJIDSGSA-N 1 3 341.524 4.022 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CSC)cc1CN1CCCCC1 ZINC000182995937 1022839151 /nfs/dbraw/zinc/83/91/51/1022839151.db2.gz RIBHBZONMAPQAY-HOTGVXAUSA-N 1 3 336.545 4.083 20 0 EIADHO COc1cccc(SCCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000660257465 1023396094 /nfs/dbraw/zinc/39/60/94/1023396094.db2.gz TZZSCRKNKKBFNG-SJORKVTESA-N 1 3 348.556 4.030 20 0 EIADHO COc1cccc(SCCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000660257465 1023396106 /nfs/dbraw/zinc/39/61/06/1023396106.db2.gz TZZSCRKNKKBFNG-SJORKVTESA-N 1 3 348.556 4.030 20 0 EIADHO Fc1ccc([C@H](NCC2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415087965 1023437179 /nfs/dbraw/zinc/43/71/79/1023437179.db2.gz WSADBPQYNAQLQC-IBGZPJMESA-N 1 3 332.850 4.158 20 0 EIADHO C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118178 1023517058 /nfs/dbraw/zinc/51/70/58/1023517058.db2.gz SNSVTIFQPIFYKD-KYJSFNMBSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118178 1023517071 /nfs/dbraw/zinc/51/70/71/1023517071.db2.gz SNSVTIFQPIFYKD-KYJSFNMBSA-N 1 3 340.433 4.225 20 0 EIADHO c1nc(-c2ccccc2)sc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785968 1023536826 /nfs/dbraw/zinc/53/68/26/1023536826.db2.gz OMPUKQUGCOIHLW-GOSISDBHSA-N 1 3 341.524 4.022 20 0 EIADHO CCCN1CCC([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000510469317 1023767298 /nfs/dbraw/zinc/76/72/98/1023767298.db2.gz MJWBLLWXGVWOES-UHFFFAOYSA-N 1 3 346.849 4.248 20 0 EIADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000510469317 1023767306 /nfs/dbraw/zinc/76/73/06/1023767306.db2.gz MJWBLLWXGVWOES-UHFFFAOYSA-N 1 3 346.849 4.248 20 0 EIADHO Cc1nc(-c2ccc([C@H](C)[NH2+]CC[C@H]3CCCN3C)cc2)cs1 ZINC000341588621 1023895663 /nfs/dbraw/zinc/89/56/63/1023895663.db2.gz BXJBIMBPUBSSLY-KBXCAEBGSA-N 1 3 329.513 4.253 20 0 EIADHO Cc1nc(-c2ccc([C@@H](C)[NH2+]CC[C@@H]3CCCN3C)cc2)cs1 ZINC000341588622 1023895804 /nfs/dbraw/zinc/89/58/04/1023895804.db2.gz BXJBIMBPUBSSLY-KDOFPFPSSA-N 1 3 329.513 4.253 20 0 EIADHO Cc1ccc2[nH]c(CN3CCC(C[NH+]4CCCC4)CC3)cc2c1C ZINC000473137034 1024368158 /nfs/dbraw/zinc/36/81/58/1024368158.db2.gz FZUOAKUNNJAPEO-UHFFFAOYSA-N 1 3 325.500 4.093 20 0 EIADHO CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000548481308 1024825235 /nfs/dbraw/zinc/82/52/35/1024825235.db2.gz MWFKQSDJOWAXQU-LQWHRVPQSA-N 1 3 337.511 4.205 20 0 EIADHO C[C@@H]1CCCN(Cc2csc(-c3cccs3)n2)[C@@H]1CCC[NH3+] ZINC000662312390 1025067412 /nfs/dbraw/zinc/06/74/12/1025067412.db2.gz FTCQKGBBHYNHCV-UKRRQHHQSA-N 1 3 335.542 4.211 20 0 EIADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CCS2 ZINC000187029178 1025169182 /nfs/dbraw/zinc/16/91/82/1025169182.db2.gz XRWNHAUAWVVWOU-LJQANCHMSA-N 1 3 330.541 4.304 20 0 EIADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466259 1025390974 /nfs/dbraw/zinc/39/09/74/1025390974.db2.gz QDVIOSJHQTXFLR-FUHWJXTLSA-N 1 3 326.484 4.075 20 0 EIADHO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466260 1025392605 /nfs/dbraw/zinc/39/26/05/1025392605.db2.gz QDVIOSJHQTXFLR-SJLPKXTDSA-N 1 3 326.484 4.075 20 0 EIADHO CC(C)n1c2ccccc2nc1[C@@H]1CCCN1CC1CC[NH+](C)CC1 ZINC000892034302 1025454821 /nfs/dbraw/zinc/45/48/21/1025454821.db2.gz LUSDRTKUXYCPCT-FQEVSTJZSA-N 1 3 340.515 4.096 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001167837434 1025848711 /nfs/dbraw/zinc/84/87/11/1025848711.db2.gz KBKWXNQPJWVJCD-FPOVZHCZSA-N 1 3 332.532 4.053 20 0 EIADHO COc1ccc(CC(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167975122 1026222423 /nfs/dbraw/zinc/22/24/23/1026222423.db2.gz HWNNVURRPKKIAU-IHWFROFDSA-N 1 3 342.527 4.011 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)C1 ZINC000163260647 1026361785 /nfs/dbraw/zinc/36/17/85/1026361785.db2.gz FQFHKBRGBWPGMZ-GXTWGEPZSA-N 1 3 335.542 4.172 20 0 EIADHO FC(F)(F)[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167982120 1026385257 /nfs/dbraw/zinc/38/52/57/1026385257.db2.gz XNDFWDURSKPDRT-ZZCJBCQWSA-N 1 3 330.438 4.103 20 0 EIADHO Clc1ccc([C@@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167982177 1026389680 /nfs/dbraw/zinc/38/96/80/1026389680.db2.gz ZLDWSDAWESBIHG-OLPBJYBYSA-N 1 3 330.903 4.191 20 0 EIADHO Clc1ccc([C@@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167982177 1026389697 /nfs/dbraw/zinc/38/96/97/1026389697.db2.gz ZLDWSDAWESBIHG-OLPBJYBYSA-N 1 3 330.903 4.191 20 0 EIADHO c1cc(Sc2ccccn2)oc1CNCCCCC[NH+]1CCCC1 ZINC000550265749 1026445451 /nfs/dbraw/zinc/44/54/51/1026445451.db2.gz CCMYSDUYFLTLQW-UHFFFAOYSA-N 1 3 345.512 4.182 20 0 EIADHO Cc1ccncc1CNCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000279546391 1026502352 /nfs/dbraw/zinc/50/23/52/1026502352.db2.gz AVKFHHNQEBVPHL-UHFFFAOYSA-N 1 3 345.490 4.408 20 0 EIADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474600111 1027289601 /nfs/dbraw/zinc/28/96/01/1027289601.db2.gz UIQPZCKZDSNJLO-LJISPDSOSA-N 1 3 326.937 4.215 20 0 EIADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000441331237 1027467982 /nfs/dbraw/zinc/46/79/82/1027467982.db2.gz NMXPITKARPHRJM-GOEBONIOSA-N 1 3 326.431 4.155 20 0 EIADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000441331237 1027467990 /nfs/dbraw/zinc/46/79/90/1027467990.db2.gz NMXPITKARPHRJM-GOEBONIOSA-N 1 3 326.431 4.155 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441399029 1027519450 /nfs/dbraw/zinc/51/94/50/1027519450.db2.gz UEJKRHDGQKEZTK-TZIWHRDSSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441399029 1027519467 /nfs/dbraw/zinc/51/94/67/1027519467.db2.gz UEJKRHDGQKEZTK-TZIWHRDSSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000441418646 1027537282 /nfs/dbraw/zinc/53/72/82/1027537282.db2.gz VJCLNCPTNWRQEA-UGKGYDQZSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000441418646 1027537301 /nfs/dbraw/zinc/53/73/01/1027537301.db2.gz VJCLNCPTNWRQEA-UGKGYDQZSA-N 1 3 342.527 4.021 20 0 EIADHO C[C@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1)CN1CCCCC1 ZINC000320904089 1027543418 /nfs/dbraw/zinc/54/34/18/1027543418.db2.gz CLRMOYYJAYHBIG-HUUCEWRRSA-N 1 3 326.431 4.061 20 0 EIADHO CC(C)OC1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000090772059 1027583407 /nfs/dbraw/zinc/58/34/07/1027583407.db2.gz YHNWNNLOVFKNPK-QXWDQEIOSA-N 1 3 336.564 4.355 20 0 EIADHO c1ccc(C[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995500 1027775253 /nfs/dbraw/zinc/77/52/53/1027775253.db2.gz HTIJQYCABLVOIZ-JYEDNEFCSA-N 1 3 338.539 4.347 20 0 EIADHO c1ccc(C[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995500 1027775260 /nfs/dbraw/zinc/77/52/60/1027775260.db2.gz HTIJQYCABLVOIZ-JYEDNEFCSA-N 1 3 338.539 4.347 20 0 EIADHO Cc1ccc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)ccc2n1 ZINC000189236027 1028090401 /nfs/dbraw/zinc/09/04/01/1028090401.db2.gz JCGMRZXXQIFNMK-UHFFFAOYSA-N 1 3 345.490 4.429 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281380517 1028553138 /nfs/dbraw/zinc/55/31/38/1028553138.db2.gz XERIULIHOLIKLO-NRFANRHFSA-N 1 3 341.474 4.303 20 0 EIADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000346860193 1028796760 /nfs/dbraw/zinc/79/67/60/1028796760.db2.gz JASNXCIVUBDZEX-AEFFLSMTSA-N 1 3 334.504 4.009 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000346870255 1028802739 /nfs/dbraw/zinc/80/27/39/1028802739.db2.gz LSLLFWLRJBCPSN-ZWKOTPCHSA-N 1 3 340.515 4.096 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009890 1028816968 /nfs/dbraw/zinc/81/69/68/1028816968.db2.gz IFQGDPFMGZPDMO-ILXRZTDVSA-N 1 3 331.529 4.156 20 0 EIADHO COCCC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(F)cc1 ZINC000281880157 1028906377 /nfs/dbraw/zinc/90/63/77/1028906377.db2.gz GDLNGWTXJXLZPT-FXAWDEMLSA-N 1 3 336.495 4.003 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](c1ccccc1OC)C1CCCC1 ZINC000650756968 1029199243 /nfs/dbraw/zinc/19/92/43/1029199243.db2.gz LFLVUYHBHNHSRR-JOCHJYFZSA-N 1 3 338.495 4.436 20 0 EIADHO CC[C@H](NCc1ccccc1C[NH2+]C)c1ccccc1OC(F)F ZINC000650758662 1029214776 /nfs/dbraw/zinc/21/47/76/1029214776.db2.gz VERWNNJBQMIZDK-KRWDZBQOSA-N 1 3 334.410 4.248 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000650758655 1029216395 /nfs/dbraw/zinc/21/63/95/1029216395.db2.gz UYIQNVRYUWZZJF-ZDUSSCGKSA-N 1 3 338.373 4.155 20 0 EIADHO C(c1nc2c(s1)CNCC2)[NH+](C1CCCCC1)C1CCCCC1 ZINC001204611484 1029356602 /nfs/dbraw/zinc/35/66/02/1029356602.db2.gz NXXSKIHMPGSEFC-UHFFFAOYSA-N 1 3 333.545 4.256 20 0 EIADHO CC(C)CCn1cccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475218836 1029451523 /nfs/dbraw/zinc/45/15/23/1029451523.db2.gz HDWPIZNTEYGBSX-OAQYLSRUSA-N 1 3 339.527 4.146 20 0 EIADHO Cc1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000475282813 1029495848 /nfs/dbraw/zinc/49/58/48/1029495848.db2.gz HCVUGGKCSCYXAX-HXUWFJFHSA-N 1 3 345.490 4.155 20 0 EIADHO Cc1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000475282813 1029495853 /nfs/dbraw/zinc/49/58/53/1029495853.db2.gz HCVUGGKCSCYXAX-HXUWFJFHSA-N 1 3 345.490 4.155 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2s1 ZINC000446817221 1029580451 /nfs/dbraw/zinc/58/04/51/1029580451.db2.gz GYDWWPGMKKJUJB-IXDOHACOSA-N 1 3 346.540 4.441 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000584380786 1029794914 /nfs/dbraw/zinc/79/49/14/1029794914.db2.gz SDKIMIKXQCNPAK-IRLDBZIGSA-N 1 3 344.543 4.084 20 0 EIADHO C[N@@H+]1CC[C@@H](CNC/C=C/c2ccc(F)c(F)c2)[C@H]1c1cccs1 ZINC000375751957 1029859896 /nfs/dbraw/zinc/85/98/96/1029859896.db2.gz YWUBBPJFJMGRDR-WKSODWKVSA-N 1 3 348.462 4.322 20 0 EIADHO C[N@H+]1CC[C@@H](CNC/C=C/c2ccc(F)c(F)c2)[C@H]1c1cccs1 ZINC000375751957 1029859898 /nfs/dbraw/zinc/85/98/98/1029859898.db2.gz YWUBBPJFJMGRDR-WKSODWKVSA-N 1 3 348.462 4.322 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](c1cccnc1)C(C)C ZINC000091267501 1029882208 /nfs/dbraw/zinc/88/22/08/1029882208.db2.gz AYBHOYDVJADNOQ-OAQYLSRUSA-N 1 3 325.500 4.410 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](c2cccnc2)C(C)C)c1 ZINC000091287805 1029883193 /nfs/dbraw/zinc/88/31/93/1029883193.db2.gz VPZVMLOQTJAYCD-OAQYLSRUSA-N 1 3 325.500 4.410 20 0 EIADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000525783783 1030016766 /nfs/dbraw/zinc/01/67/66/1030016766.db2.gz OSPBEGWBHKDXRO-MRXNPFEDSA-N 1 3 331.891 4.194 20 0 EIADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000525783783 1030016780 /nfs/dbraw/zinc/01/67/80/1030016780.db2.gz OSPBEGWBHKDXRO-MRXNPFEDSA-N 1 3 331.891 4.194 20 0 EIADHO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(CO)c1 ZINC000121857226 1030462872 /nfs/dbraw/zinc/46/28/72/1030462872.db2.gz GHVJHCXJVAJRRL-MSOLQXFVSA-N 1 3 338.495 4.055 20 0 EIADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657932151 1030637472 /nfs/dbraw/zinc/63/74/72/1030637472.db2.gz UQPQMHBWDDNADY-HOTGVXAUSA-N 1 3 331.529 4.315 20 0 EIADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657932151 1030637485 /nfs/dbraw/zinc/63/74/85/1030637485.db2.gz UQPQMHBWDDNADY-HOTGVXAUSA-N 1 3 331.529 4.315 20 0 EIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000658069669 1030816241 /nfs/dbraw/zinc/81/62/41/1030816241.db2.gz QDGQQZVPZPUWFK-INIZCTEOSA-N 1 3 349.950 4.019 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(NCc2cccc3cc[nH]c32)CC1 ZINC000237732946 1030861942 /nfs/dbraw/zinc/86/19/42/1030861942.db2.gz GKLHQJSNOKJNGH-UHFFFAOYSA-N 1 3 333.479 4.231 20 0 EIADHO CCc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658166699 1030863179 /nfs/dbraw/zinc/86/31/79/1030863179.db2.gz OCUIZAOQUFEQRY-SFHVURJKSA-N 1 3 337.511 4.207 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000658166902 1030863348 /nfs/dbraw/zinc/86/33/48/1030863348.db2.gz WCFZTIYSXBLIOX-IBGZPJMESA-N 1 3 329.513 4.096 20 0 EIADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168351 1030866077 /nfs/dbraw/zinc/86/60/77/1030866077.db2.gz WFJMFANYZRDFMI-SFTDATJTSA-N 1 3 329.532 4.098 20 0 EIADHO Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000658240088 1030898769 /nfs/dbraw/zinc/89/87/69/1030898769.db2.gz XSYQYZFFSBKZDS-GJPOJAMWSA-N 1 3 348.490 4.165 20 0 EIADHO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320001 1030978299 /nfs/dbraw/zinc/97/82/99/1030978299.db2.gz LPPXBLLDTCDEFJ-FPOVZHCZSA-N 1 3 349.522 4.343 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cncs1 ZINC000658319530 1030980903 /nfs/dbraw/zinc/98/09/03/1030980903.db2.gz FYEQZJAXPOQXRL-AEFFLSMTSA-N 1 3 341.524 4.096 20 0 EIADHO COc1cccc2c(CNC[C@H]3CCC[N@@H+](C(C)C)C3)cccc12 ZINC000449133311 1031469888 /nfs/dbraw/zinc/46/98/88/1031469888.db2.gz XXYBMWXJHQAYMA-QGZVFWFLSA-N 1 3 326.484 4.058 20 0 EIADHO COc1cccc2c(CNC[C@H]3CCC[N@H+](C(C)C)C3)cccc12 ZINC000449133311 1031469893 /nfs/dbraw/zinc/46/98/93/1031469893.db2.gz XXYBMWXJHQAYMA-QGZVFWFLSA-N 1 3 326.484 4.058 20 0 EIADHO COc1cccc2c(C[NH2+]C[C@H]3CCCN(C(C)C)C3)cccc12 ZINC000449133311 1031469901 /nfs/dbraw/zinc/46/99/01/1031469901.db2.gz XXYBMWXJHQAYMA-QGZVFWFLSA-N 1 3 326.484 4.058 20 0 EIADHO Cc1cc2c(cc1C)[C@@H](NCc1cccc(C[NH+](C)C)c1)CCCO2 ZINC000123660552 1031478027 /nfs/dbraw/zinc/47/80/27/1031478027.db2.gz QWBNFKILVCRLGK-NRFANRHFSA-N 1 3 338.495 4.369 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)C1 ZINC000163300209 1031592083 /nfs/dbraw/zinc/59/20/83/1031592083.db2.gz CRFXGBNMRHHHBP-STQMWFEESA-N 1 3 344.471 4.002 20 0 EIADHO C1CCC(N2CCC([NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)CC1 ZINC000127370871 1031687941 /nfs/dbraw/zinc/68/79/41/1031687941.db2.gz VXTUOKZDZKSZBV-IBGZPJMESA-N 1 3 334.548 4.255 20 0 EIADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(CC(C)C)CC1)CCCO2 ZINC000531941888 1031852198 /nfs/dbraw/zinc/85/21/98/1031852198.db2.gz PLSIPKRFGQALHB-FQEVSTJZSA-N 1 3 330.516 4.227 20 0 EIADHO CC(C)CN1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894165847 1034453493 /nfs/dbraw/zinc/45/34/93/1034453493.db2.gz IFTRUDAZZJQFSF-UHFFFAOYSA-N 1 3 337.920 4.160 20 0 EIADHO COc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000513472901 1034977255 /nfs/dbraw/zinc/97/72/55/1034977255.db2.gz NXWPPDIIKVBTLJ-UHFFFAOYSA-N 1 3 338.495 4.100 20 0 EIADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C4CCSCC4)[C@@H]3C2)cc1 ZINC000513683639 1035100844 /nfs/dbraw/zinc/10/08/44/1035100844.db2.gz LUBPYKMVIWMFOB-TYPHKJRUSA-N 1 3 344.568 4.162 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC1CC[NH+](C2CC2)CC1 ZINC000501419090 1035440196 /nfs/dbraw/zinc/44/01/96/1035440196.db2.gz FQNARMIUJUEDCK-WYMLVPIESA-N 1 3 338.417 4.325 20 0 EIADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CC3 ZINC000491043100 1035794379 /nfs/dbraw/zinc/79/43/79/1035794379.db2.gz YZIYFYSDOWEDAL-ZWKOTPCHSA-N 1 3 339.527 4.044 20 0 EIADHO Fc1ccccc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485480909 1035944911 /nfs/dbraw/zinc/94/49/11/1035944911.db2.gz ZLVRHAPOSSBUAV-UHFFFAOYSA-N 1 3 338.470 4.314 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000502722506 1036559135 /nfs/dbraw/zinc/55/91/35/1036559135.db2.gz KLQBCSGZAJVHIM-LJQANCHMSA-N 1 3 332.919 4.474 20 0 EIADHO Fc1ccc(CC2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c(F)c1 ZINC001168389156 1036736725 /nfs/dbraw/zinc/73/67/25/1036736725.db2.gz KOBHHNCKOMDBAQ-UHFFFAOYSA-N 1 3 348.481 4.094 20 0 EIADHO CC(C)c1ncc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486565878 1036770418 /nfs/dbraw/zinc/77/04/18/1036770418.db2.gz NIVSOSPRXLQRMF-AEFFLSMTSA-N 1 3 343.540 4.267 20 0 EIADHO Fc1ccc2cc(CNCc3cccc(C[NH+]4CCCC4)c3)[nH]c2c1 ZINC000486681617 1036815722 /nfs/dbraw/zinc/81/57/22/1036815722.db2.gz OGOGWUSZNFFHNJ-UHFFFAOYSA-N 1 3 337.442 4.193 20 0 EIADHO CCOc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cc1F ZINC000486962090 1036921492 /nfs/dbraw/zinc/92/14/92/1036921492.db2.gz CMUMPEBXECDNMS-UHFFFAOYSA-N 1 3 344.474 4.354 20 0 EIADHO CCOc1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cc1F ZINC000486962090 1036921511 /nfs/dbraw/zinc/92/15/11/1036921511.db2.gz CMUMPEBXECDNMS-UHFFFAOYSA-N 1 3 344.474 4.354 20 0 EIADHO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272298752 1037152949 /nfs/dbraw/zinc/15/29/49/1037152949.db2.gz GNLATBODLQRPQL-CMKODMSKSA-N 1 3 340.515 4.025 20 0 EIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488434579 1037591829 /nfs/dbraw/zinc/59/18/29/1037591829.db2.gz JEAZSXIEQXQFOE-UFYCRDLUSA-N 1 3 346.584 4.061 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001168420166 1037718814 /nfs/dbraw/zinc/71/88/14/1037718814.db2.gz JTBWVIILSAUBRS-JTSKRJEESA-N 1 3 342.502 4.093 20 0 EIADHO Cc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422713322 1037811736 /nfs/dbraw/zinc/81/17/36/1037811736.db2.gz PNLPDRHYECLCMQ-RBDMOPTHSA-N 1 3 336.479 4.210 20 0 EIADHO CCSc1ccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422722897 1037816339 /nfs/dbraw/zinc/81/63/39/1037816339.db2.gz ZBXFOQKZDPZQGZ-ZIAGYGMSSA-N 1 3 329.513 4.373 20 0 EIADHO Cc1cccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000422747214 1037823359 /nfs/dbraw/zinc/82/33/59/1037823359.db2.gz PMTVXJZNPUUBNG-UCNVEGJOSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1ccc(C(C)C)cc1 ZINC000422771327 1037831386 /nfs/dbraw/zinc/83/13/86/1037831386.db2.gz XYRKCYQSUAMGAZ-INIZCTEOSA-N 1 3 325.500 4.256 20 0 EIADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CC[NH2+]CC[C@@H]3C)cc2)cs1 ZINC000422800630 1037835906 /nfs/dbraw/zinc/83/59/06/1037835906.db2.gz CLWURUFELMMDFY-SUNYJGFJSA-N 1 3 329.513 4.157 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000422882149 1037852210 /nfs/dbraw/zinc/85/22/10/1037852210.db2.gz AIEACCXUAHPHTI-KRWDZBQOSA-N 1 3 345.490 4.409 20 0 EIADHO c1sc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422914468 1037868310 /nfs/dbraw/zinc/86/83/10/1037868310.db2.gz UHXUVEMTMONYPW-KZNAEPCWSA-N 1 3 347.572 4.244 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC000422993811 1037890995 /nfs/dbraw/zinc/89/09/95/1037890995.db2.gz GIIMKFLOJCHRTA-KRWDZBQOSA-N 1 3 325.500 4.242 20 0 EIADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422974245 1037892804 /nfs/dbraw/zinc/89/28/04/1037892804.db2.gz QQCCNPFJCGUWQA-KDOFPFPSSA-N 1 3 327.472 4.114 20 0 EIADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423096953 1037955172 /nfs/dbraw/zinc/95/51/72/1037955172.db2.gz QDQQPIQVEYPUSB-MUIFIZLQSA-N 1 3 326.406 4.059 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423097015 1037958327 /nfs/dbraw/zinc/95/83/27/1037958327.db2.gz QJNHEDXUPGNJPC-UYCDIGJJSA-N 1 3 347.865 4.180 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000423105888 1037979839 /nfs/dbraw/zinc/97/98/39/1037979839.db2.gz JCNPTQBCQNICDJ-CVEARBPZSA-N 1 3 341.499 4.090 20 0 EIADHO Cc1cc2c(cc1C)[C@@H](NCCC[NH2+]Cc1cccnc1)CCS2 ZINC000423193304 1038050001 /nfs/dbraw/zinc/05/00/01/1038050001.db2.gz WZKADPVJTHXAGU-IBGZPJMESA-N 1 3 341.524 4.005 20 0 EIADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423217806 1038063000 /nfs/dbraw/zinc/06/30/00/1038063000.db2.gz QMHYFKGHOJJRQT-INWMFGNUSA-N 1 3 330.394 4.014 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000423293338 1038097676 /nfs/dbraw/zinc/09/76/76/1038097676.db2.gz QZURVEFUAMXDHG-QVKFZJNVSA-N 1 3 336.479 4.199 20 0 EIADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423350124 1038163132 /nfs/dbraw/zinc/16/31/32/1038163132.db2.gz WXMZEWAKKQWDGH-WMLDXEAASA-N 1 3 328.422 4.006 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)c(F)c1 ZINC000423386069 1038196888 /nfs/dbraw/zinc/19/68/88/1038196888.db2.gz LXAYHOYJGJFISL-LLVKDONJSA-N 1 3 349.247 4.042 20 0 EIADHO C[C@@H](CCCc1cccnc1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395189 1038202993 /nfs/dbraw/zinc/20/29/93/1038202993.db2.gz NGESZXGOKITFQF-JTSKRJEESA-N 1 3 333.479 4.236 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423411314 1038219417 /nfs/dbraw/zinc/21/94/17/1038219417.db2.gz FJGYTBZHSOWLGY-NQIIRXRSSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1cccc2c1CCCN2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423411314 1038219441 /nfs/dbraw/zinc/21/94/41/1038219441.db2.gz FJGYTBZHSOWLGY-NQIIRXRSSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1cccc2c1CCCN2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423411314 1038219461 /nfs/dbraw/zinc/21/94/61/1038219461.db2.gz FJGYTBZHSOWLGY-NQIIRXRSSA-N 1 3 349.522 4.045 20 0 EIADHO Clc1cc2c(c(Cl)c1)CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423407280 1038219599 /nfs/dbraw/zinc/21/95/99/1038219599.db2.gz ZPRZZTYPCLXGCV-SFHVURJKSA-N 1 3 333.262 4.374 20 0 EIADHO Cc1c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423521105 1038273209 /nfs/dbraw/zinc/27/32/09/1038273209.db2.gz SDWFVKKERHJLCC-DNVCBOLYSA-N 1 3 328.504 4.077 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000490269971 1038418678 /nfs/dbraw/zinc/41/86/78/1038418678.db2.gz FJHMJMMQTCHPLV-NYVOZVTQSA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000490269971 1038418692 /nfs/dbraw/zinc/41/86/92/1038418692.db2.gz FJHMJMMQTCHPLV-NYVOZVTQSA-N 1 3 344.543 4.099 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424266220 1038764798 /nfs/dbraw/zinc/76/47/98/1038764798.db2.gz WPYQMWFMOSTQSA-MJGOQNOKSA-N 1 3 343.540 4.281 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424274181 1038782622 /nfs/dbraw/zinc/78/26/22/1038782622.db2.gz YHKAWVXTIVDURS-LJQANCHMSA-N 1 3 343.540 4.137 20 0 EIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000539219803 1038889463 /nfs/dbraw/zinc/88/94/63/1038889463.db2.gz RPLQFWCNJZHTPT-GOSISDBHSA-N 1 3 345.575 4.003 20 0 EIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000539219803 1038889468 /nfs/dbraw/zinc/88/94/68/1038889468.db2.gz RPLQFWCNJZHTPT-GOSISDBHSA-N 1 3 345.575 4.003 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2cccc(Br)c2)C1 ZINC000481024774 1038965757 /nfs/dbraw/zinc/96/57/57/1038965757.db2.gz NJPQJONRZQKKHC-PBHICJAKSA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2cccc(Br)c2)C1 ZINC000481024774 1038965771 /nfs/dbraw/zinc/96/57/71/1038965771.db2.gz NJPQJONRZQKKHC-PBHICJAKSA-N 1 3 339.321 4.222 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000414810484 1039054818 /nfs/dbraw/zinc/05/48/18/1039054818.db2.gz OGDHSMLUOPCZDN-LLVKDONJSA-N 1 3 326.337 4.154 20 0 EIADHO CC[N@H+](CCCN1CCCC1)C/C(C)=C/c1ccccc1COC ZINC000552042704 1039060769 /nfs/dbraw/zinc/06/07/69/1039060769.db2.gz XLVRVVPIPIMEFB-KNTRCKAVSA-N 1 3 330.516 4.044 20 0 EIADHO CC[N@@H+](CCCN1CCCC1)C/C(C)=C/c1ccccc1COC ZINC000552042704 1039060790 /nfs/dbraw/zinc/06/07/90/1039060790.db2.gz XLVRVVPIPIMEFB-KNTRCKAVSA-N 1 3 330.516 4.044 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000120448046 1039114143 /nfs/dbraw/zinc/11/41/43/1039114143.db2.gz SKYIQRDBUVPWBA-INIZCTEOSA-N 1 3 340.467 4.108 20 0 EIADHO COc1ccc([C@H](C)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000481318209 1039270606 /nfs/dbraw/zinc/27/06/06/1039270606.db2.gz ZYXGZTQYHKSHQM-SFHVURJKSA-N 1 3 338.495 4.319 20 0 EIADHO CCOCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000514103471 1039611489 /nfs/dbraw/zinc/61/14/89/1039611489.db2.gz CIONWXYZOWWFHF-BHIFYINESA-N 1 3 344.543 4.084 20 0 EIADHO CCc1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000122403967 1039704856 /nfs/dbraw/zinc/70/48/56/1039704856.db2.gz YUJMMDVGSLRQSQ-HNNXBMFYSA-N 1 3 332.513 4.102 20 0 EIADHO Clc1sc(Cl)c2c1CCC[C@@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643536948 1039747506 /nfs/dbraw/zinc/74/75/06/1039747506.db2.gz XLZAWOZYFUOROT-QWRGUYRKSA-N 1 3 331.312 4.164 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1 ZINC000537651888 1039847848 /nfs/dbraw/zinc/84/78/48/1039847848.db2.gz NLZBGUXNTMHVGN-SFHVURJKSA-N 1 3 339.527 4.445 20 0 EIADHO CCOCc1ccccc1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550999063 1039863022 /nfs/dbraw/zinc/86/30/22/1039863022.db2.gz HZLMNVCMSLYODK-FCHUYYIVSA-N 1 3 338.495 4.148 20 0 EIADHO CCOCc1ccccc1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550999063 1039863027 /nfs/dbraw/zinc/86/30/27/1039863027.db2.gz HZLMNVCMSLYODK-FCHUYYIVSA-N 1 3 338.495 4.148 20 0 EIADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC1CC([NH+]2CCCCC2)C1 ZINC000481992055 1039937358 /nfs/dbraw/zinc/93/73/58/1039937358.db2.gz NCXGELLZVLPKMP-OOHWJJMZSA-N 1 3 340.433 4.243 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133277 1040028251 /nfs/dbraw/zinc/02/82/51/1040028251.db2.gz IXPFWZXKRSIRKW-HZPDHXFCSA-N 1 3 332.488 4.450 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133277 1040028272 /nfs/dbraw/zinc/02/82/72/1040028272.db2.gz IXPFWZXKRSIRKW-HZPDHXFCSA-N 1 3 332.488 4.450 20 0 EIADHO C[C@H](C[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890640 1040327403 /nfs/dbraw/zinc/32/74/03/1040327403.db2.gz KVYNOJCNKJXPKN-HFTRVMKXSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890640 1040327428 /nfs/dbraw/zinc/32/74/28/1040327428.db2.gz KVYNOJCNKJXPKN-HFTRVMKXSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000479468652 1040394138 /nfs/dbraw/zinc/39/41/38/1040394138.db2.gz ZFMWULRPQZTNRE-GOEBONIOSA-N 1 3 348.412 4.277 20 0 EIADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995348 1040405334 /nfs/dbraw/zinc/40/53/34/1040405334.db2.gz KPBCCIVWCZSQBF-RHSMWYFYSA-N 1 3 340.433 4.291 20 0 EIADHO c1sc(CNCCC[NH2+]Cc2cccnc2)cc1-c1ccccc1 ZINC000414871925 1040521202 /nfs/dbraw/zinc/52/12/02/1040521202.db2.gz FGJASTGASDZIQF-UHFFFAOYSA-N 1 3 337.492 4.080 20 0 EIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000540083803 1041101211 /nfs/dbraw/zinc/10/12/11/1041101211.db2.gz KBAYEMORCRGJAB-JKSUJKDBSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000540083803 1041101224 /nfs/dbraw/zinc/10/12/24/1041101224.db2.gz KBAYEMORCRGJAB-JKSUJKDBSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484470337 1041245922 /nfs/dbraw/zinc/24/59/22/1041245922.db2.gz RZTYJGSHOKXDLL-NUEKZKHPSA-N 1 3 344.421 4.151 20 0 EIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484470334 1041246443 /nfs/dbraw/zinc/24/64/43/1041246443.db2.gz RZTYJGSHOKXDLL-BPUTZDHNSA-N 1 3 344.421 4.151 20 0 EIADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000540199437 1041257064 /nfs/dbraw/zinc/25/70/64/1041257064.db2.gz VIFGBWPMPRMFLN-SFHVURJKSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000540199437 1041257083 /nfs/dbraw/zinc/25/70/83/1041257083.db2.gz VIFGBWPMPRMFLN-SFHVURJKSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000540199437 1041257098 /nfs/dbraw/zinc/25/70/98/1041257098.db2.gz VIFGBWPMPRMFLN-SFHVURJKSA-N 1 3 340.433 4.369 20 0 EIADHO Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463117245 1041355062 /nfs/dbraw/zinc/35/50/62/1041355062.db2.gz SIBXFFBLAWUNSU-HSZRJFAPSA-N 1 3 334.507 4.279 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463207404 1041420318 /nfs/dbraw/zinc/42/03/18/1041420318.db2.gz SQVYGBXETXBYRB-RXVVDRJESA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463207404 1041420325 /nfs/dbraw/zinc/42/03/25/1041420325.db2.gz SQVYGBXETXBYRB-RXVVDRJESA-N 1 3 338.495 4.146 20 0 EIADHO c1ccc(CC[NH+]2CCC(NC3(c4ccccc4)CCC3)CC2)cc1 ZINC000540764297 1041668775 /nfs/dbraw/zinc/66/87/75/1041668775.db2.gz BDKOWYXZKVRMJV-UHFFFAOYSA-N 1 3 334.507 4.363 20 0 EIADHO C[C@@H]([NH2+]CCCCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000437784866 1041908912 /nfs/dbraw/zinc/90/89/12/1041908912.db2.gz KZZOXKLAYQHDDO-WOJBJXKFSA-N 1 3 344.543 4.478 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425940902 1042017965 /nfs/dbraw/zinc/01/79/65/1042017965.db2.gz IMTSLCUOQVCUBP-OLZOCXBDSA-N 1 3 335.492 4.106 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541603533 1042038508 /nfs/dbraw/zinc/03/85/08/1042038508.db2.gz WICIHGNPRGVDDH-BBTUJRGHSA-N 1 3 326.528 4.034 20 0 EIADHO c1ccc(OCCCCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000438100029 1042049151 /nfs/dbraw/zinc/04/91/51/1042049151.db2.gz YEJNBWKHWKYFNO-HXUWFJFHSA-N 1 3 330.516 4.186 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168438773 1042066444 /nfs/dbraw/zinc/06/64/44/1042066444.db2.gz ODZJDEQHKCYARD-NHCUHLMSSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168438773 1042066446 /nfs/dbraw/zinc/06/64/46/1042066446.db2.gz ODZJDEQHKCYARD-NHCUHLMSSA-N 1 3 330.491 4.023 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCN1 ZINC000414948183 1042335784 /nfs/dbraw/zinc/33/57/84/1042335784.db2.gz LSSXKIUVIMZOES-VDNDLQMASA-N 1 3 326.406 4.072 20 0 EIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(Br)c1 ZINC000173307045 1042563661 /nfs/dbraw/zinc/56/36/61/1042563661.db2.gz UAYWQWZNJMXBNN-CQSZACIVSA-N 1 3 347.300 4.362 20 0 EIADHO FC(F)(F)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167964760 1042684857 /nfs/dbraw/zinc/68/48/57/1042684857.db2.gz XNDFWDURSKPDRT-QLQQRZLESA-N 1 3 330.438 4.103 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099003 1042827793 /nfs/dbraw/zinc/82/77/93/1042827793.db2.gz WRNMJHGYJZREEX-WIYYLYMNSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099003 1042827795 /nfs/dbraw/zinc/82/77/95/1042827795.db2.gz WRNMJHGYJZREEX-WIYYLYMNSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099000 1042827997 /nfs/dbraw/zinc/82/79/97/1042827997.db2.gz WRNMJHGYJZREEX-GHTZIAJQSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099000 1042827998 /nfs/dbraw/zinc/82/79/98/1042827998.db2.gz WRNMJHGYJZREEX-GHTZIAJQSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099001 1042828121 /nfs/dbraw/zinc/82/81/21/1042828121.db2.gz WRNMJHGYJZREEX-NQIIRXRSSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099001 1042828124 /nfs/dbraw/zinc/82/81/24/1042828124.db2.gz WRNMJHGYJZREEX-NQIIRXRSSA-N 1 3 326.459 4.389 20 0 EIADHO COc1cccc([C@H](C)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310834918 1042846823 /nfs/dbraw/zinc/84/68/23/1042846823.db2.gz MNDLSVZJQVJYQR-UEXGIBASSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310834918 1042846826 /nfs/dbraw/zinc/84/68/26/1042846826.db2.gz MNDLSVZJQVJYQR-UEXGIBASSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310834920 1042846838 /nfs/dbraw/zinc/84/68/38/1042846838.db2.gz MNDLSVZJQVJYQR-WAOWUJCRSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310834920 1042846839 /nfs/dbraw/zinc/84/68/39/1042846839.db2.gz MNDLSVZJQVJYQR-WAOWUJCRSA-N 1 3 338.495 4.256 20 0 EIADHO CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000311069187 1042852182 /nfs/dbraw/zinc/85/21/82/1042852182.db2.gz YRHGWQOOVUJSEN-HXUWFJFHSA-N 1 3 338.495 4.086 20 0 EIADHO C[C@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311130343 1042853971 /nfs/dbraw/zinc/85/39/71/1042853971.db2.gz WJBKMGOAOKRSBJ-PKOBYXMFSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311524981 1042861577 /nfs/dbraw/zinc/86/15/77/1042861577.db2.gz JZUIOWKBHLHJBI-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2ncccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311524981 1042861579 /nfs/dbraw/zinc/86/15/79/1042861579.db2.gz JZUIOWKBHLHJBI-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2ncccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311524981 1042861581 /nfs/dbraw/zinc/86/15/81/1042861581.db2.gz JZUIOWKBHLHJBI-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311609394 1042862756 /nfs/dbraw/zinc/86/27/56/1042862756.db2.gz DZEDYWIJGNPCND-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO Fc1ccc(C[C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001168005140 1042958167 /nfs/dbraw/zinc/95/81/67/1042958167.db2.gz GPWLLWTUNYLQMQ-IZCSPVGOSA-N 1 3 342.502 4.238 20 0 EIADHO Fc1ccc(C[C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001168005140 1042958176 /nfs/dbraw/zinc/95/81/76/1042958176.db2.gz GPWLLWTUNYLQMQ-IZCSPVGOSA-N 1 3 342.502 4.238 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000727467173 1043226838 /nfs/dbraw/zinc/22/68/38/1043226838.db2.gz PDGPBBOYCSBVEX-UHFFFAOYSA-N 1 3 333.479 4.366 20 0 EIADHO C[C@H]([NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC001168011833 1043351914 /nfs/dbraw/zinc/35/19/14/1043351914.db2.gz SWLIBAJODVIKML-KURKYZTESA-N 1 3 338.495 4.484 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000171051735 1043414379 /nfs/dbraw/zinc/41/43/79/1043414379.db2.gz FPDHLEKKKIHOQI-UHFFFAOYSA-N 1 3 336.479 4.092 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000171051735 1043414389 /nfs/dbraw/zinc/41/43/89/1043414389.db2.gz FPDHLEKKKIHOQI-UHFFFAOYSA-N 1 3 336.479 4.092 20 0 EIADHO CCCc1csc(CNCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000494340557 1043420505 /nfs/dbraw/zinc/42/05/05/1043420505.db2.gz UILZEKOVFUNUDP-UHFFFAOYSA-N 1 3 349.569 4.159 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)[C@H](C)C2 ZINC000665273491 1043510361 /nfs/dbraw/zinc/51/03/61/1043510361.db2.gz XYEDBKUSCRSIGP-LNKMKMDRSA-N 1 3 348.490 4.074 20 0 EIADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000665281333 1043670279 /nfs/dbraw/zinc/67/02/79/1043670279.db2.gz ZTJFDEFOZWIQRQ-CVEARBPZSA-N 1 3 329.513 4.151 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000474033789 1043691619 /nfs/dbraw/zinc/69/16/19/1043691619.db2.gz LUTFVOUQTQHRJI-JXFKEZNVSA-N 1 3 330.516 4.128 20 0 EIADHO COCCC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000442633210 1043772806 /nfs/dbraw/zinc/77/28/06/1043772806.db2.gz CDGXCWBEZAATNH-YLJYHZDGSA-N 1 3 336.495 4.148 20 0 EIADHO COCCC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(F)cc1 ZINC000442861302 1043863968 /nfs/dbraw/zinc/86/39/68/1043863968.db2.gz UBHCUHSEWDENDT-XLIONFOSSA-N 1 3 336.495 4.148 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000521822714 1044013919 /nfs/dbraw/zinc/01/39/19/1044013919.db2.gz HXIYEWYXWZMHOM-UHFFFAOYSA-N 1 3 336.479 4.094 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1 ZINC000348008051 1044362149 /nfs/dbraw/zinc/36/21/49/1044362149.db2.gz OESZMOOTNXPZQK-OXJNMPFZSA-N 1 3 342.531 4.198 20 0 EIADHO C[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000542518628 1044450655 /nfs/dbraw/zinc/45/06/55/1044450655.db2.gz YAQCJYSMFXEDPK-REWPJTCUSA-N 1 3 336.523 4.019 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000675790080 1044502638 /nfs/dbraw/zinc/50/26/38/1044502638.db2.gz RCMADJNBHUDIDA-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000675790080 1044502655 /nfs/dbraw/zinc/50/26/55/1044502655.db2.gz RCMADJNBHUDIDA-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000675812759 1044511863 /nfs/dbraw/zinc/51/18/63/1044511863.db2.gz XZWOCBJGCSFOIL-OAQYLSRUSA-N 1 3 329.532 4.413 20 0 EIADHO C[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)CN1CCCCC1 ZINC000494926699 1044524400 /nfs/dbraw/zinc/52/44/00/1044524400.db2.gz YSMOKHMCHGJFCK-LQWHRVPQSA-N 1 3 348.506 4.005 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000675897599 1044543626 /nfs/dbraw/zinc/54/36/26/1044543626.db2.gz HEQAPAHQZUHIOA-WMZOPIPTSA-N 1 3 340.433 4.054 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000675897599 1044543636 /nfs/dbraw/zinc/54/36/36/1044543636.db2.gz HEQAPAHQZUHIOA-WMZOPIPTSA-N 1 3 340.433 4.054 20 0 EIADHO CS[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)(C)C ZINC000543412105 1044553885 /nfs/dbraw/zinc/55/38/85/1044553885.db2.gz VQRKGHXMMJSPKU-RYQLBKOJSA-N 1 3 326.594 4.397 20 0 EIADHO C[C@H](NCc1ccncc1OCC[NH+](C)C)c1cccc2ccccc21 ZINC000676052754 1044618348 /nfs/dbraw/zinc/61/83/48/1044618348.db2.gz PZRJRHKQFJXQBG-KRWDZBQOSA-N 1 3 349.478 4.026 20 0 EIADHO CC1([NH+]2CCC2)CCC(NCc2ncc(-c3ccccc3)s2)CC1 ZINC000922845746 1044992580 /nfs/dbraw/zinc/99/25/80/1044992580.db2.gz SOOPZCBVRPRKBB-UHFFFAOYSA-N 1 3 341.524 4.307 20 0 EIADHO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000542567523 1045330925 /nfs/dbraw/zinc/33/09/25/1045330925.db2.gz ZTSCPPKJVFINIK-KKUMJFAQSA-N 1 3 328.422 4.271 20 0 EIADHO Cc1c2[nH]cnc2ccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170332331 1046002593 /nfs/dbraw/zinc/00/25/93/1046002593.db2.gz CXSVLQLDIUIZFG-LDLYASANSA-N 1 3 346.478 4.479 20 0 EIADHO Cc1c2[nH]cnc2ccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170332331 1046002611 /nfs/dbraw/zinc/00/26/11/1046002611.db2.gz CXSVLQLDIUIZFG-LDLYASANSA-N 1 3 346.478 4.479 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3ccc(O)cc3)cc2)C1 ZINC000237687915 1046302422 /nfs/dbraw/zinc/30/24/22/1046302422.db2.gz UEEOZPLUKWFLFZ-HDICACEKSA-N 1 3 338.495 4.160 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ccc(O)cc3)cc2)C1 ZINC000237687915 1046302436 /nfs/dbraw/zinc/30/24/36/1046302436.db2.gz UEEOZPLUKWFLFZ-HDICACEKSA-N 1 3 338.495 4.160 20 0 EIADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OCC ZINC000125985557 1046408240 /nfs/dbraw/zinc/40/82/40/1046408240.db2.gz VVTYGTIODRYDLR-QZTJIDSGSA-N 1 3 348.531 4.255 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@H]1C ZINC000536659333 1046609312 /nfs/dbraw/zinc/60/93/12/1046609312.db2.gz WUPZOLPGGRKQMT-AEFFLSMTSA-N 1 3 326.484 4.153 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@H]1C ZINC000536659333 1046609323 /nfs/dbraw/zinc/60/93/23/1046609323.db2.gz WUPZOLPGGRKQMT-AEFFLSMTSA-N 1 3 326.484 4.153 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000379615158 1046700974 /nfs/dbraw/zinc/70/09/74/1046700974.db2.gz AFXKGXWHSUNYHN-RXVVDRJESA-N 1 3 338.495 4.152 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000379615158 1046700992 /nfs/dbraw/zinc/70/09/92/1046700992.db2.gz AFXKGXWHSUNYHN-RXVVDRJESA-N 1 3 338.495 4.152 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3ncccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644942 1046736674 /nfs/dbraw/zinc/73/66/74/1046736674.db2.gz HLTZUMXKXGYXQU-AVRDEDQJSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3ncccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379644942 1046736687 /nfs/dbraw/zinc/73/66/87/1046736687.db2.gz HLTZUMXKXGYXQU-AVRDEDQJSA-N 1 3 345.490 4.378 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379641557 1046746046 /nfs/dbraw/zinc/74/60/46/1046746046.db2.gz YKEBXQKZHBLVLA-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379641557 1046746059 /nfs/dbraw/zinc/74/60/59/1046746059.db2.gz YKEBXQKZHBLVLA-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379657625 1046759391 /nfs/dbraw/zinc/75/93/91/1046759391.db2.gz UAPVFNOKVQHUJN-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379657625 1046759398 /nfs/dbraw/zinc/75/93/98/1046759398.db2.gz UAPVFNOKVQHUJN-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2c1 ZINC000536859343 1046827204 /nfs/dbraw/zinc/82/72/04/1046827204.db2.gz RZNWUVUMFNCUKQ-QRVBRYPASA-N 1 3 340.511 4.380 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806127151 1047146949 /nfs/dbraw/zinc/14/69/49/1047146949.db2.gz ASEIAXDIUYQRAX-GOSISDBHSA-N 1 3 343.902 4.354 20 0 EIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788530229 1047227889 /nfs/dbraw/zinc/22/78/89/1047227889.db2.gz WQMDQLIXXPNGJY-DLBZAZTESA-N 1 3 339.483 4.012 20 0 EIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788530229 1047227877 /nfs/dbraw/zinc/22/78/77/1047227877.db2.gz WQMDQLIXXPNGJY-DLBZAZTESA-N 1 3 339.483 4.012 20 0 EIADHO C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc[nH]c(=O)c1 ZINC000788582304 1047235265 /nfs/dbraw/zinc/23/52/65/1047235265.db2.gz GJFQWPYFIFWTKA-KRWDZBQOSA-N 1 3 339.483 4.014 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000327729804 1047393099 /nfs/dbraw/zinc/39/30/99/1047393099.db2.gz CTONRHIGORYBRN-QFIPXVFZSA-N 1 3 338.495 4.401 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119576 1047472674 /nfs/dbraw/zinc/47/26/74/1047472674.db2.gz AMKZVECWNUIPEJ-JENIJYKNSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119576 1047472683 /nfs/dbraw/zinc/47/26/83/1047472683.db2.gz AMKZVECWNUIPEJ-JENIJYKNSA-N 1 3 341.474 4.172 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)cc1CN1CCCCC1 ZINC000790494933 1047599414 /nfs/dbraw/zinc/59/94/14/1047599414.db2.gz HHQPFBAWSPKIGF-SJORKVTESA-N 1 3 348.556 4.085 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000556857536 1048075441 /nfs/dbraw/zinc/07/54/41/1048075441.db2.gz CKSDQMAWLNNSAC-WSTZPKSXSA-N 1 3 346.563 4.379 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000556857536 1048075452 /nfs/dbraw/zinc/07/54/52/1048075452.db2.gz CKSDQMAWLNNSAC-WSTZPKSXSA-N 1 3 346.563 4.379 20 0 EIADHO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000131736947 1048129200 /nfs/dbraw/zinc/12/92/00/1048129200.db2.gz SLCYCWBSCSUGOZ-XLIONFOSSA-N 1 3 336.564 4.214 20 0 EIADHO C[C@H](CCN1CCC[C@]2(CC2(F)F)C1)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437265 1048333345 /nfs/dbraw/zinc/33/33/45/1048333345.db2.gz MTLKTALOLQNCTL-PMPSAXMXSA-N 1 3 348.428 4.007 20 0 EIADHO C[C@H](CCN1CCC[C@]2(CC2(F)F)C1)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437265 1048333356 /nfs/dbraw/zinc/33/33/56/1048333356.db2.gz MTLKTALOLQNCTL-PMPSAXMXSA-N 1 3 348.428 4.007 20 0 EIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947291 1049063139 /nfs/dbraw/zinc/06/31/39/1049063139.db2.gz BJBGXBPUNNCFNG-ZDUSSCGKSA-N 1 3 331.529 4.101 20 0 EIADHO CC[C@H](NCc1ccc(CC[NH3+])cc1)c1cc(Cl)ccc1OC ZINC000817949934 1049067119 /nfs/dbraw/zinc/06/71/19/1049067119.db2.gz ULGPVYFNQPVYOA-SFHVURJKSA-N 1 3 332.875 4.091 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000817963151 1049068398 /nfs/dbraw/zinc/06/83/98/1049068398.db2.gz ORRGITQTQWGEDJ-GHMZBOCLSA-N 1 3 338.282 4.446 20 0 EIADHO COc1c(C)cc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000817967780 1049071915 /nfs/dbraw/zinc/07/19/15/1049071915.db2.gz BPXLIPONTLTOSM-ZDUSSCGKSA-N 1 3 330.859 4.111 20 0 EIADHO NC1(c2ccccc2)CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170911153 1049186050 /nfs/dbraw/zinc/18/60/50/1049186050.db2.gz UDJHERJZCDKWJE-GOSISDBHSA-N 1 3 340.898 4.147 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170910714 1049186407 /nfs/dbraw/zinc/18/64/07/1049186407.db2.gz NRERSHJGMIKKPW-KRWDZBQOSA-N 1 3 334.935 4.440 20 0 EIADHO C[NH+](C)CC[C@H](N[C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001170657877 1049342612 /nfs/dbraw/zinc/34/26/12/1049342612.db2.gz HICFQHHXLDIOAL-NQIIRXRSSA-N 1 3 344.449 4.105 20 0 EIADHO Cc1cc([C@@H](C)NCCOCC[NH2+][C@H](C)c2cc(C)oc2C)c(C)o1 ZINC000348098007 1049416394 /nfs/dbraw/zinc/41/63/94/1049416394.db2.gz XXUGYFGNHLZWOH-HZPDHXFCSA-N 1 3 348.487 4.124 20 0 EIADHO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)(F)F ZINC000716680011 1049702373 /nfs/dbraw/zinc/70/23/73/1049702373.db2.gz PKASZECXGJWRAE-DKIMLUQUSA-N 1 3 340.433 4.218 20 0 EIADHO COc1ccccc1CC1([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCC1 ZINC001171626909 1049769514 /nfs/dbraw/zinc/76/95/14/1049769514.db2.gz GSDMZEGATOXJFB-UHFFFAOYSA-N 1 3 344.543 4.401 20 0 EIADHO Cc1ccc(OC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171635954 1049776753 /nfs/dbraw/zinc/77/67/53/1049776753.db2.gz AJFNDITWTKFJOW-UHFFFAOYSA-N 1 3 344.543 4.490 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1(C)C ZINC001171639984 1049778638 /nfs/dbraw/zinc/77/86/38/1049778638.db2.gz XPQDKCGZUGCJEG-GOSISDBHSA-N 1 3 347.572 4.290 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1(C)C ZINC001171639984 1049778641 /nfs/dbraw/zinc/77/86/41/1049778641.db2.gz XPQDKCGZUGCJEG-GOSISDBHSA-N 1 3 347.572 4.290 20 0 EIADHO C[NH+]1C(C)(C)CC(N2CCC[C@@H](Sc3ccncc3)C2)CC1(C)C ZINC001171639984 1049778652 /nfs/dbraw/zinc/77/86/52/1049778652.db2.gz XPQDKCGZUGCJEG-GOSISDBHSA-N 1 3 347.572 4.290 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(Sc3ccncc3)CC2)CC1(C)C ZINC001171640034 1049778864 /nfs/dbraw/zinc/77/88/64/1049778864.db2.gz ZWMPKWUURBPJSS-UHFFFAOYSA-N 1 3 347.572 4.290 20 0 EIADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982475 1049838690 /nfs/dbraw/zinc/83/86/90/1049838690.db2.gz IWZYHZHKJYLVAZ-UYAOXDASSA-N 1 3 337.511 4.484 20 0 EIADHO Cc1ccccc1[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccncc1 ZINC001172099946 1049850103 /nfs/dbraw/zinc/85/01/03/1049850103.db2.gz NVKSIITYDMAWCP-XWSHUIEDSA-N 1 3 335.495 4.084 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCc3cc(C(F)(F)F)ccc3C1)C2 ZINC001172127996 1049853336 /nfs/dbraw/zinc/85/33/36/1049853336.db2.gz NHDHFFCBBXHHQZ-BCDXTJNWSA-N 1 3 338.417 4.079 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCc3cc(C(F)(F)F)ccc3C1)C2 ZINC001172127996 1049853339 /nfs/dbraw/zinc/85/33/39/1049853339.db2.gz NHDHFFCBBXHHQZ-BCDXTJNWSA-N 1 3 338.417 4.079 20 0 EIADHO c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)CS2 ZINC001172203693 1049863751 /nfs/dbraw/zinc/86/37/51/1049863751.db2.gz VDCHGTQUHDFXGG-OALUTQOASA-N 1 3 330.541 4.044 20 0 EIADHO c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)CS2 ZINC001172203693 1049863753 /nfs/dbraw/zinc/86/37/53/1049863753.db2.gz VDCHGTQUHDFXGG-OALUTQOASA-N 1 3 330.541 4.044 20 0 EIADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CS2 ZINC001172205716 1049864667 /nfs/dbraw/zinc/86/46/67/1049864667.db2.gz WXNBQBGCMKYDED-HXUWFJFHSA-N 1 3 344.568 4.338 20 0 EIADHO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172353289 1049893196 /nfs/dbraw/zinc/89/31/96/1049893196.db2.gz MRBISUBCKLSHFM-VQTJNVASSA-N 1 3 344.543 4.178 20 0 EIADHO CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172353287 1049893527 /nfs/dbraw/zinc/89/35/27/1049893527.db2.gz MRBISUBCKLSHFM-PMACEKPBSA-N 1 3 344.543 4.178 20 0 EIADHO [NH3+]C1(c2ccc(F)cc2)CCN([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172558226 1049932694 /nfs/dbraw/zinc/93/26/94/1049932694.db2.gz UJPXKLNUXKGLRE-NQIIRXRSSA-N 1 3 338.470 4.412 20 0 EIADHO [NH3+]C1(c2cccc(F)c2)CCN([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172558888 1049933429 /nfs/dbraw/zinc/93/34/29/1049933429.db2.gz XZZHGVKDBYIPIB-WIYYLYMNSA-N 1 3 338.470 4.412 20 0 EIADHO CC1(C)CC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC(C)(C)O1 ZINC001172654516 1049957140 /nfs/dbraw/zinc/95/71/40/1049957140.db2.gz FGXYRJANJSIAIT-KRWDZBQOSA-N 1 3 334.548 4.133 20 0 EIADHO c1cncc(CN2CCC(C[NH2+]C3CCC4(CCCC4)CC3)CC2)c1 ZINC001172727766 1049968063 /nfs/dbraw/zinc/96/80/63/1049968063.db2.gz PZIJTQOGUPJQAX-UHFFFAOYSA-N 1 3 341.543 4.386 20 0 EIADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000246431116 1049972089 /nfs/dbraw/zinc/97/20/89/1049972089.db2.gz NYCFYHUGMNNSSP-RWQQGDIJSA-N 1 3 328.500 4.141 20 0 EIADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000247003844 1050009692 /nfs/dbraw/zinc/00/96/92/1050009692.db2.gz KVIRHUJTDJHUEY-XNJGSVPQSA-N 1 3 349.316 4.071 20 0 EIADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000247003844 1050009699 /nfs/dbraw/zinc/00/96/99/1050009699.db2.gz KVIRHUJTDJHUEY-XNJGSVPQSA-N 1 3 349.316 4.071 20 0 EIADHO CCOc1c(Cl)cccc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001177299248 1050180809 /nfs/dbraw/zinc/18/08/09/1050180809.db2.gz METZTIGLMJEHSP-MRXNPFEDSA-N 1 3 338.923 4.340 20 0 EIADHO CCOc1c(Cl)cccc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001177299248 1050180814 /nfs/dbraw/zinc/18/08/14/1050180814.db2.gz METZTIGLMJEHSP-MRXNPFEDSA-N 1 3 338.923 4.340 20 0 EIADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172852004 1050190766 /nfs/dbraw/zinc/19/07/66/1050190766.db2.gz MWDOSMKMWVKZIY-CQSZACIVSA-N 1 3 338.898 4.407 20 0 EIADHO C[C@H](Cc1c(F)cccc1Cl)NC1CC[NH+](C2CCCC2)CC1 ZINC001172852004 1050190779 /nfs/dbraw/zinc/19/07/79/1050190779.db2.gz MWDOSMKMWVKZIY-CQSZACIVSA-N 1 3 338.898 4.407 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091317623 1050252859 /nfs/dbraw/zinc/25/28/59/1050252859.db2.gz QTRRGCDIQZEWAX-NRFANRHFSA-N 1 3 348.506 4.148 20 0 EIADHO CC[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC001177668758 1050274802 /nfs/dbraw/zinc/27/48/02/1050274802.db2.gz CNHNQGRCNOUQAM-VXKWHMMOSA-N 1 3 336.523 4.334 20 0 EIADHO CC[NH+](CC)C1CCC(NCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001173109818 1050307523 /nfs/dbraw/zinc/30/75/23/1050307523.db2.gz HSWZRPMPYXJHRJ-UHFFFAOYSA-N 1 3 345.462 4.223 20 0 EIADHO C[C@]1(C[NH3+])CCCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001206311255 1050334270 /nfs/dbraw/zinc/33/42/70/1050334270.db2.gz LHWMRYRKLHGIHB-HNNXBMFYSA-N 1 3 334.813 4.310 20 0 EIADHO C[N@H+](C1CCOCC1)C1CCN([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344312 1050433817 /nfs/dbraw/zinc/43/38/17/1050433817.db2.gz VAVLZDUYYSAVCA-NRFANRHFSA-N 1 3 348.575 4.455 20 0 EIADHO C[N@@H+](C1CCOCC1)C1CCN([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344312 1050433824 /nfs/dbraw/zinc/43/38/24/1050433824.db2.gz VAVLZDUYYSAVCA-NRFANRHFSA-N 1 3 348.575 4.455 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC[C@H]1CCCN1C ZINC001173540379 1050475775 /nfs/dbraw/zinc/47/57/75/1050475775.db2.gz WMLPRIWYNPAOML-UKRRQHHQSA-N 1 3 329.315 4.388 20 0 EIADHO Cc1cc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C)c1-c1ccc(F)cc1 ZINC001206211316 1050531423 /nfs/dbraw/zinc/53/14/23/1050531423.db2.gz NJZHDJAOCWXFKH-PMACEKPBSA-N 1 3 344.449 4.371 20 0 EIADHO C[C@@H]1C[C@H](N(C)Cc2cccc3c[nH]nc32)CC[N@@H+]1Cc1ccccc1 ZINC000093318220 1050559694 /nfs/dbraw/zinc/55/96/94/1050559694.db2.gz HDEIUPFRWFGURN-DYESRHJHSA-N 1 3 348.494 4.048 20 0 EIADHO C[C@@H]1C[C@H](N(C)Cc2cccc3c[nH]nc32)CC[N@H+]1Cc1ccccc1 ZINC000093318220 1050559700 /nfs/dbraw/zinc/55/97/00/1050559700.db2.gz HDEIUPFRWFGURN-DYESRHJHSA-N 1 3 348.494 4.048 20 0 EIADHO COc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001179205095 1050649754 /nfs/dbraw/zinc/64/97/54/1050649754.db2.gz JHIUIRRSTJJVLO-LAUBAEHRSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001179205095 1050649757 /nfs/dbraw/zinc/64/97/57/1050649757.db2.gz JHIUIRRSTJJVLO-LAUBAEHRSA-N 1 3 338.495 4.146 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccccc1N(C)C ZINC000093942348 1050723211 /nfs/dbraw/zinc/72/32/11/1050723211.db2.gz KKPAILRFHCQAGF-GOSISDBHSA-N 1 3 339.527 4.444 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccccc1N(C)C ZINC000093942348 1050723227 /nfs/dbraw/zinc/72/32/27/1050723227.db2.gz KKPAILRFHCQAGF-GOSISDBHSA-N 1 3 339.527 4.444 20 0 EIADHO CC[NH+](CC)CCO[C@H]1CCN(C/C=C/c2cc(C)c(C)cc2C)C1 ZINC001180081740 1050877135 /nfs/dbraw/zinc/87/71/35/1050877135.db2.gz NLLAXUWXTMNCQD-UVIRAJKCSA-N 1 3 344.543 4.058 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]CCCSC)cc1CN1CCCCC1 ZINC000182993564 1050926816 /nfs/dbraw/zinc/92/68/16/1050926816.db2.gz LOJJKYWDOSDGMM-MRXNPFEDSA-N 1 3 336.545 4.085 20 0 EIADHO CC(C)(C)[C@@]1(C[N@@H+]2CCCSCC2)CCN(Cc2ccccc2)C1 ZINC001180739737 1051071197 /nfs/dbraw/zinc/07/11/97/1051071197.db2.gz GVIAHDHXLKCABX-OAQYLSRUSA-N 1 3 346.584 4.364 20 0 EIADHO CC(C)(C)[C@@]1(C[N@H+]2CCCSCC2)CCN(Cc2ccccc2)C1 ZINC001180739737 1051071209 /nfs/dbraw/zinc/07/12/09/1051071209.db2.gz GVIAHDHXLKCABX-OAQYLSRUSA-N 1 3 346.584 4.364 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)Cc2ccco2)ccc1OC ZINC000775365987 1051134911 /nfs/dbraw/zinc/13/49/11/1051134911.db2.gz RTAJJTMJTSOFIH-SJORKVTESA-N 1 3 344.499 4.412 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccc(C)nc2)ccc1OC ZINC000775377075 1051157087 /nfs/dbraw/zinc/15/70/87/1051157087.db2.gz FZKKQEUTFMSUCI-QGZVFWFLSA-N 1 3 341.499 4.091 20 0 EIADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775380437 1051175320 /nfs/dbraw/zinc/17/53/20/1051175320.db2.gz IPQFGRPCLISZLH-MLGOLLRUSA-N 1 3 328.472 4.309 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1CN1CCCCC1 ZINC000775397085 1051211362 /nfs/dbraw/zinc/21/13/62/1051211362.db2.gz SZUZXDFVXOFMRC-LPHOPBHVSA-N 1 3 348.556 4.227 20 0 EIADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181427051 1051222126 /nfs/dbraw/zinc/22/21/26/1051222126.db2.gz IYMXGDLRTYFZEB-HNNXBMFYSA-N 1 3 342.449 4.348 20 0 EIADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccc1 ZINC000716654490 1051277000 /nfs/dbraw/zinc/27/70/00/1051277000.db2.gz HYVSFXPFRWMOLX-HMNCIZAVSA-N 1 3 334.507 4.433 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2OC)ccc1OC ZINC000775416050 1051289245 /nfs/dbraw/zinc/28/92/45/1051289245.db2.gz CWDTYNUTRUWUJF-QRFRQXIXSA-N 1 3 348.531 4.003 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158099145 1051710130 /nfs/dbraw/zinc/71/01/30/1051710130.db2.gz QPGLTDHJYHYLNR-DOTOQJQBSA-N 1 3 343.540 4.419 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158099145 1051710142 /nfs/dbraw/zinc/71/01/42/1051710142.db2.gz QPGLTDHJYHYLNR-DOTOQJQBSA-N 1 3 343.540 4.419 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158121834 1051715059 /nfs/dbraw/zinc/71/50/59/1051715059.db2.gz ILBNBCXINLRJFN-ZFWWWQNUSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158121834 1051715076 /nfs/dbraw/zinc/71/50/76/1051715076.db2.gz ILBNBCXINLRJFN-ZFWWWQNUSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1cc(C)cc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716715832 1051831303 /nfs/dbraw/zinc/83/13/03/1051831303.db2.gz YCFMFOGATKESSX-ZRBLBEILSA-N 1 3 334.507 4.446 20 0 EIADHO Cc1cc(C)cc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716715832 1051831309 /nfs/dbraw/zinc/83/13/09/1051831309.db2.gz YCFMFOGATKESSX-ZRBLBEILSA-N 1 3 334.507 4.446 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2cc[nH]c2c1 ZINC001193091731 1051874716 /nfs/dbraw/zinc/87/47/16/1051874716.db2.gz BHDIIDPAQQWFPA-CYGODWOOSA-N 1 3 347.506 4.414 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc2cc[nH]c2c1 ZINC001193091731 1051874721 /nfs/dbraw/zinc/87/47/21/1051874721.db2.gz BHDIIDPAQQWFPA-CYGODWOOSA-N 1 3 347.506 4.414 20 0 EIADHO CC[NH+]1CCC(N[C@@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000159305588 1051974514 /nfs/dbraw/zinc/97/45/14/1051974514.db2.gz YBNNYZJMNOIRLO-BLLLJJGKSA-N 1 3 337.305 4.071 20 0 EIADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001194505163 1052162417 /nfs/dbraw/zinc/16/24/17/1052162417.db2.gz LPCUOZOSZNNFBC-SFHVURJKSA-N 1 3 340.433 4.056 20 0 EIADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001194505163 1052162421 /nfs/dbraw/zinc/16/24/21/1052162421.db2.gz LPCUOZOSZNNFBC-SFHVURJKSA-N 1 3 340.433 4.056 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339069032 1052551760 /nfs/dbraw/zinc/55/17/60/1052551760.db2.gz QJXPYHUQLBFOPO-SVFBPWRDSA-N 1 3 330.516 4.008 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000177836388 1052691471 /nfs/dbraw/zinc/69/14/71/1052691471.db2.gz MDUOHUVGOKYRQE-HOTGVXAUSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)C[NH+]1CCC(N[C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000177836388 1052691477 /nfs/dbraw/zinc/69/14/77/1052691477.db2.gz MDUOHUVGOKYRQE-HOTGVXAUSA-N 1 3 345.556 4.498 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000623649504 1052696075 /nfs/dbraw/zinc/69/60/75/1052696075.db2.gz XMZFYAAONQTKLM-UHFFFAOYSA-N 1 3 329.532 4.054 20 0 EIADHO C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000178087758 1052698026 /nfs/dbraw/zinc/69/80/26/1052698026.db2.gz FSEGMWQZFVOECQ-BTYIYWSLSA-N 1 3 342.458 4.104 20 0 EIADHO Cc1csc([C@H](C)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000623924197 1052839058 /nfs/dbraw/zinc/83/90/58/1052839058.db2.gz VLRCZIRXESRYOW-LNLFQRSKSA-N 1 3 343.540 4.403 20 0 EIADHO Cc1csc([C@H](C)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000623924197 1052839062 /nfs/dbraw/zinc/83/90/62/1052839062.db2.gz VLRCZIRXESRYOW-LNLFQRSKSA-N 1 3 343.540 4.403 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121279 1052867195 /nfs/dbraw/zinc/86/71/95/1052867195.db2.gz SCYUWCGFGVJXEN-OWCLPIDISA-N 1 3 331.529 4.110 20 0 EIADHO C[C@@H]1C[C@@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@@H+]1C ZINC000181798891 1052898431 /nfs/dbraw/zinc/89/84/31/1052898431.db2.gz KQODMOVTXGVFBR-CJNGLKHVSA-N 1 3 349.931 4.078 20 0 EIADHO C[C@@H]1C[C@@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@H+]1C ZINC000181798891 1052898433 /nfs/dbraw/zinc/89/84/33/1052898433.db2.gz KQODMOVTXGVFBR-CJNGLKHVSA-N 1 3 349.931 4.078 20 0 EIADHO C[C@@H]1C[C@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@@H+]1C ZINC000181798849 1052898540 /nfs/dbraw/zinc/89/85/40/1052898540.db2.gz KQODMOVTXGVFBR-CZUORRHYSA-N 1 3 349.931 4.078 20 0 EIADHO C[C@@H]1C[C@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@H+]1C ZINC000181798849 1052898543 /nfs/dbraw/zinc/89/85/43/1052898543.db2.gz KQODMOVTXGVFBR-CZUORRHYSA-N 1 3 349.931 4.078 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850440024 1053214237 /nfs/dbraw/zinc/21/42/37/1053214237.db2.gz RNSHLZCYVKEMBB-MRXNPFEDSA-N 1 3 328.500 4.069 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)ccc1OC ZINC000850536859 1053301635 /nfs/dbraw/zinc/30/16/35/1053301635.db2.gz OIFQRZBCIHYKGG-KBXCAEBGSA-N 1 3 340.458 4.233 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000383360170 1053329399 /nfs/dbraw/zinc/32/93/99/1053329399.db2.gz SHQAORAQKSFPSW-RDJZCZTQSA-N 1 3 330.422 4.138 20 0 EIADHO C[NH+](C)C1(C)CCC(NCc2csc(-c3cccs3)n2)CC1 ZINC000865765857 1053588211 /nfs/dbraw/zinc/58/82/11/1053588211.db2.gz PEDXYDCSDVSQOZ-UHFFFAOYSA-N 1 3 335.542 4.224 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](c2ccccn2)C(C)C)cc1 ZINC000866219473 1053654991 /nfs/dbraw/zinc/65/49/91/1053654991.db2.gz PGQHNFRVJCXAEZ-NRFANRHFSA-N 1 3 325.500 4.410 20 0 EIADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000386686416 1053820470 /nfs/dbraw/zinc/82/04/70/1053820470.db2.gz ZCRDBFWRGGDAMF-LVCYWYKZSA-N 1 3 338.495 4.084 20 0 EIADHO CN(Cc1ccccc1)C[C@H](C[NH+]1CCC(F)CC1)c1ccccc1 ZINC001197334867 1053887080 /nfs/dbraw/zinc/88/70/80/1053887080.db2.gz CSJOEXMKQJEXSH-OAQYLSRUSA-N 1 3 340.486 4.336 20 0 EIADHO c1ccc(CCC[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672753 1054873033 /nfs/dbraw/zinc/87/30/33/1054873033.db2.gz XEWPHMPDEHYQPR-GOTSBHOMSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCC[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672753 1054873042 /nfs/dbraw/zinc/87/30/42/1054873042.db2.gz XEWPHMPDEHYQPR-GOTSBHOMSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672753 1054873049 /nfs/dbraw/zinc/87/30/49/1054873049.db2.gz XEWPHMPDEHYQPR-GOTSBHOMSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001201672753 1054873053 /nfs/dbraw/zinc/87/30/53/1054873053.db2.gz XEWPHMPDEHYQPR-GOTSBHOMSA-N 1 3 334.507 4.073 20 0 EIADHO C[C@@H](c1cccc(Br)c1)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162477 1060674014 /nfs/dbraw/zinc/67/40/14/1060674014.db2.gz TZKBJVHQKJIXTQ-KKBVYLPWSA-N 1 3 337.305 4.067 20 0 EIADHO C[C@@H](c1cccc(Br)c1)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162477 1060674021 /nfs/dbraw/zinc/67/40/21/1060674021.db2.gz TZKBJVHQKJIXTQ-KKBVYLPWSA-N 1 3 337.305 4.067 20 0 EIADHO CC[NH+](CC)Cc1cccc(NC2CCN(c3ccncc3)CC2)c1 ZINC000297885466 520758280 /nfs/dbraw/zinc/75/82/80/520758280.db2.gz QRDKSVBCYUUKIT-UHFFFAOYSA-N 1 3 338.499 4.004 20 0 EIADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN(CC(C)C)CC1)CCCO2 ZINC000532198168 1032084132 /nfs/dbraw/zinc/08/41/32/1032084132.db2.gz KJSQLKGZMYBWHP-HXUWFJFHSA-N 1 3 330.516 4.227 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225076 1032102715 /nfs/dbraw/zinc/10/27/15/1032102715.db2.gz KFTFQOYVURGCFD-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225076 1032102728 /nfs/dbraw/zinc/10/27/28/1032102728.db2.gz KFTFQOYVURGCFD-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO Clc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533077436 1032476758 /nfs/dbraw/zinc/47/67/58/1032476758.db2.gz BMXLLAHCDCNYPG-OXJNMPFZSA-N 1 3 348.918 4.058 20 0 EIADHO Clc1ccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533077436 1032476772 /nfs/dbraw/zinc/47/67/72/1032476772.db2.gz BMXLLAHCDCNYPG-OXJNMPFZSA-N 1 3 348.918 4.058 20 0 EIADHO Clc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533077437 1032478337 /nfs/dbraw/zinc/47/83/37/1032478337.db2.gz BMXLLAHCDCNYPG-OXQOHEQNSA-N 1 3 348.918 4.058 20 0 EIADHO Clc1ccc(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533077437 1032478349 /nfs/dbraw/zinc/47/83/49/1032478349.db2.gz BMXLLAHCDCNYPG-OXQOHEQNSA-N 1 3 348.918 4.058 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430153504 1018881448 /nfs/dbraw/zinc/88/14/48/1018881448.db2.gz YKIUTYASICHIHX-KAPURRDVSA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430153504 1018881450 /nfs/dbraw/zinc/88/14/50/1018881450.db2.gz YKIUTYASICHIHX-KAPURRDVSA-N 1 3 338.417 4.136 20 0 EIADHO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000643546133 1018898348 /nfs/dbraw/zinc/89/83/48/1018898348.db2.gz JEGOLFQUIZYMDL-SOUVJXGZSA-N 1 3 329.513 4.053 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000643546133 1018898355 /nfs/dbraw/zinc/89/83/55/1018898355.db2.gz JEGOLFQUIZYMDL-SOUVJXGZSA-N 1 3 329.513 4.053 20 0 EIADHO c1ccc(CSCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535627065 1020012329 /nfs/dbraw/zinc/01/23/29/1020012329.db2.gz RPBWSOVUWQQMQL-TZIWHRDSSA-N 1 3 344.568 4.259 20 0 EIADHO c1ccc(CSCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535627065 1020012345 /nfs/dbraw/zinc/01/23/45/1020012345.db2.gz RPBWSOVUWQQMQL-TZIWHRDSSA-N 1 3 344.568 4.259 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000037786356 1020268616 /nfs/dbraw/zinc/26/86/16/1020268616.db2.gz GKXYIHWWUWSOGE-ZDUSSCGKSA-N 1 3 339.321 4.363 20 0 EIADHO Cc1ccc(-c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)s2)cc1C ZINC000655779209 1020951911 /nfs/dbraw/zinc/95/19/11/1020951911.db2.gz FTOTZXDDLBNAOT-AYHJJNSGSA-N 1 3 341.524 4.142 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000340466007 1021068701 /nfs/dbraw/zinc/06/87/01/1021068701.db2.gz KHFFKUFMLNFWLY-OAQYLSRUSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000340466007 1021068711 /nfs/dbraw/zinc/06/87/11/1021068711.db2.gz KHFFKUFMLNFWLY-OAQYLSRUSA-N 1 3 338.495 4.400 20 0 EIADHO C([C@H]1CCCN(CC2([C@@H]3CCCCO3)CCC2)C1)[NH+]1CCCCCC1 ZINC001167326742 1021129550 /nfs/dbraw/zinc/12/95/50/1021129550.db2.gz PZNQJMKXBZEGJD-RTWAWAEBSA-N 1 3 348.575 4.314 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000340519543 1021187655 /nfs/dbraw/zinc/18/76/55/1021187655.db2.gz MLMXSXZAJOOEDF-QFIPXVFZSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000340519543 1021187673 /nfs/dbraw/zinc/18/76/73/1021187673.db2.gz MLMXSXZAJOOEDF-QFIPXVFZSA-N 1 3 338.495 4.400 20 0 EIADHO C[C@H]1CCC[N@H+](CCCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225597 1021779838 /nfs/dbraw/zinc/77/98/38/1021779838.db2.gz UTMDEGDQYQEHMI-HKUYNNGSSA-N 1 3 332.536 4.133 20 0 EIADHO C[C@H]1CCC[N@@H+](CCCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225597 1021779856 /nfs/dbraw/zinc/77/98/56/1021779856.db2.gz UTMDEGDQYQEHMI-HKUYNNGSSA-N 1 3 332.536 4.133 20 0 EIADHO C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000089553666 1021930856 /nfs/dbraw/zinc/93/08/56/1021930856.db2.gz KRQVOGNXGQSGER-LSDHHAIUSA-N 1 3 329.513 4.191 20 0 EIADHO CN(C/C=C\C[N@H+](C)Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000613391078 1021938838 /nfs/dbraw/zinc/93/88/38/1021938838.db2.gz JCXIERXLPYNVKR-ARJAWSKDSA-N 1 3 330.422 4.085 20 0 EIADHO CN(C/C=C\C[N@@H+](C)Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000613391078 1021938852 /nfs/dbraw/zinc/93/88/52/1021938852.db2.gz JCXIERXLPYNVKR-ARJAWSKDSA-N 1 3 330.422 4.085 20 0 EIADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1csc(-c2ccccc2)n1 ZINC000414147440 1021966062 /nfs/dbraw/zinc/96/60/62/1021966062.db2.gz MGIWSMGSQIOFBC-OAHLLOKOSA-N 1 3 329.513 4.335 20 0 EIADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1csc(-c2ccccc2)n1 ZINC000414147440 1021966073 /nfs/dbraw/zinc/96/60/73/1021966073.db2.gz MGIWSMGSQIOFBC-OAHLLOKOSA-N 1 3 329.513 4.335 20 0 EIADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(C)c1 ZINC000580453512 1022038894 /nfs/dbraw/zinc/03/88/94/1022038894.db2.gz AXTKGGCYSVYMLK-HXUWFJFHSA-N 1 3 326.484 4.176 20 0 EIADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000171126294 1022072714 /nfs/dbraw/zinc/07/27/14/1022072714.db2.gz YOVYXWQNXUUGAF-OAHLLOKOSA-N 1 3 348.437 4.146 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)ccc1OC ZINC000180259727 1022455324 /nfs/dbraw/zinc/45/53/24/1022455324.db2.gz WHGGJTYQMFRZNY-YLJYHZDGSA-N 1 3 348.531 4.147 20 0 EIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000378407956 1022805281 /nfs/dbraw/zinc/80/52/81/1022805281.db2.gz YRZPDMJZTKPXAI-VQTJNVASSA-N 1 3 336.564 4.214 20 0 EIADHO Fc1ccc([C@@H]2C[C@H]([NH2+]C3CCN(C4CCCC4)CC3)CCO2)cc1 ZINC000363863315 1022867382 /nfs/dbraw/zinc/86/73/82/1022867382.db2.gz KMJMBPYEJWDPPE-CTNGQTDRSA-N 1 3 346.490 4.042 20 0 EIADHO CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924600432 1023332203 /nfs/dbraw/zinc/33/22/03/1023332203.db2.gz STNHVQYKPADABV-JKSUJKDBSA-N 1 3 339.483 4.118 20 0 EIADHO C[C@@H]1C[C@H](NCc2cccc3c2CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000415046494 1023409880 /nfs/dbraw/zinc/40/98/80/1023409880.db2.gz ZTYLDQFIAXMZEM-WIYYLYMNSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@@H]1C[C@H](NCc2cccc3c2CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000415046494 1023409882 /nfs/dbraw/zinc/40/98/82/1023409882.db2.gz ZTYLDQFIAXMZEM-WIYYLYMNSA-N 1 3 349.522 4.187 20 0 EIADHO C[N@@H+]1CCCC2(CCN(CCc3ccccc3C(F)(F)F)CC2)C1 ZINC001279244561 1023571743 /nfs/dbraw/zinc/57/17/43/1023571743.db2.gz PQJUFDNESURYFC-UHFFFAOYSA-N 1 3 340.433 4.056 20 0 EIADHO C[N@H+]1CCCC2(CCN(CCc3ccccc3C(F)(F)F)CC2)C1 ZINC001279244561 1023571750 /nfs/dbraw/zinc/57/17/50/1023571750.db2.gz PQJUFDNESURYFC-UHFFFAOYSA-N 1 3 340.433 4.056 20 0 EIADHO CC[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OC(F)F ZINC000341626502 1023963779 /nfs/dbraw/zinc/96/37/79/1023963779.db2.gz MRFQITXWHDRONF-GOEBONIOSA-N 1 3 326.431 4.203 20 0 EIADHO CC[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OC(F)F ZINC000341626480 1023964204 /nfs/dbraw/zinc/96/42/04/1023964204.db2.gz MRFQITXWHDRONF-GDBMZVCRSA-N 1 3 326.431 4.203 20 0 EIADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000510750060 1024390757 /nfs/dbraw/zinc/39/07/57/1024390757.db2.gz LBFUXINEVUZRLL-OAHLLOKOSA-N 1 3 336.470 4.283 20 0 EIADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295629 1025046527 /nfs/dbraw/zinc/04/65/27/1025046527.db2.gz VYYDMTBTTWHOLV-LPHOPBHVSA-N 1 3 339.483 4.114 20 0 EIADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000342084238 1025152209 /nfs/dbraw/zinc/15/22/09/1025152209.db2.gz BBUNNMOLOJFGFL-MRXNPFEDSA-N 1 3 338.923 4.224 20 0 EIADHO CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000162585860 1025158647 /nfs/dbraw/zinc/15/86/47/1025158647.db2.gz QVBLUBKEUBGELE-FQEVSTJZSA-N 1 3 330.447 4.007 20 0 EIADHO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466258 1025392673 /nfs/dbraw/zinc/39/26/73/1025392673.db2.gz QDVIOSJHQTXFLR-AEFFLSMTSA-N 1 3 326.484 4.075 20 0 EIADHO c1ccc2cc(CCNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)ccc2c1 ZINC001167965835 1025517337 /nfs/dbraw/zinc/51/73/37/1025517337.db2.gz NNJDDZCCCOVTPV-NOTZXAQLSA-N 1 3 334.507 4.377 20 0 EIADHO c1ccc2cc(CCNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ccc2c1 ZINC001167965835 1025517353 /nfs/dbraw/zinc/51/73/53/1025517353.db2.gz NNJDDZCCCOVTPV-NOTZXAQLSA-N 1 3 334.507 4.377 20 0 EIADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001167505553 1025541200 /nfs/dbraw/zinc/54/12/00/1025541200.db2.gz UIQRYNRAPBHQBI-HXUWFJFHSA-N 1 3 326.459 4.088 20 0 EIADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001167505553 1025541228 /nfs/dbraw/zinc/54/12/28/1025541228.db2.gz UIQRYNRAPBHQBI-HXUWFJFHSA-N 1 3 326.459 4.088 20 0 EIADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000156750791 1025601971 /nfs/dbraw/zinc/60/19/71/1025601971.db2.gz KONLRZOCZDDPFA-DLBZAZTESA-N 1 3 330.516 4.184 20 0 EIADHO C[C@@H]1C[N@H+](CCCNCc2ccc(-c3ccccc3)s2)CCCO1 ZINC000432349052 1025716724 /nfs/dbraw/zinc/71/67/24/1025716724.db2.gz UNEWOBXUTRPNNO-QGZVFWFLSA-N 1 3 344.524 4.006 20 0 EIADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(-c3ccccc3)s2)CCCO1 ZINC000432349052 1025716744 /nfs/dbraw/zinc/71/67/44/1025716744.db2.gz UNEWOBXUTRPNNO-QGZVFWFLSA-N 1 3 344.524 4.006 20 0 EIADHO Cc1ccccc1CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167975867 1026305090 /nfs/dbraw/zinc/30/50/90/1026305090.db2.gz XVQNVGAUVQQFQN-SEJPIABJSA-N 1 3 326.528 4.311 20 0 EIADHO Clc1ccc([C@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167982174 1026390367 /nfs/dbraw/zinc/39/03/67/1026390367.db2.gz ZLDWSDAWESBIHG-DGDSNLKDSA-N 1 3 330.903 4.191 20 0 EIADHO Clc1ccc([C@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167982174 1026390385 /nfs/dbraw/zinc/39/03/85/1026390385.db2.gz ZLDWSDAWESBIHG-DGDSNLKDSA-N 1 3 330.903 4.191 20 0 EIADHO CCOc1ccc([C@H](CC)NC2CC[NH+](C3CC3)CC2)cc1OCC ZINC000119718804 1026396653 /nfs/dbraw/zinc/39/66/53/1026396653.db2.gz XQMQZGBHOMWVNE-IBGZPJMESA-N 1 3 346.515 4.152 20 0 EIADHO CN(C)C1CC[NH+](CC(C)(C)Sc2ccc(Cl)cc2)CC1 ZINC001207295624 1026644813 /nfs/dbraw/zinc/64/48/13/1026644813.db2.gz WXCZJTLRJOARDA-UHFFFAOYSA-N 1 3 326.937 4.237 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2cccc3ccccc32)C[C@@H]1C ZINC001167589379 1026859786 /nfs/dbraw/zinc/85/97/86/1026859786.db2.gz DKKYOBPXNIBJDQ-ICSRJNTNSA-N 1 3 340.511 4.413 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)CCCOc2cccc3ccccc32)C[C@@H]1C ZINC001167589379 1026859789 /nfs/dbraw/zinc/85/97/89/1026859789.db2.gz DKKYOBPXNIBJDQ-ICSRJNTNSA-N 1 3 340.511 4.413 20 0 EIADHO COc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000112517471 1027580343 /nfs/dbraw/zinc/58/03/43/1027580343.db2.gz YOYCDGRUTBEDHD-AWEZNQCLSA-N 1 3 332.875 4.261 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000112518304 1027580512 /nfs/dbraw/zinc/58/05/12/1027580512.db2.gz JIRUASIORHBROA-OAHLLOKOSA-N 1 3 330.422 4.411 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000426167855 1027832117 /nfs/dbraw/zinc/83/21/17/1027832117.db2.gz WQUBAGWRJZTJHK-UHFFFAOYSA-N 1 3 335.561 4.355 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000520460116 1028046989 /nfs/dbraw/zinc/04/69/89/1028046989.db2.gz XUCYOUUHUYTUOZ-APIJFGDWSA-N 1 3 326.937 4.213 20 0 EIADHO CCc1nc2c(s1)[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)CCC2 ZINC000123944861 1028152729 /nfs/dbraw/zinc/15/27/29/1028152729.db2.gz NPNRYQAFVSKFMU-KRWDZBQOSA-N 1 3 343.540 4.324 20 0 EIADHO CCc1nc2c(s1)[C@@H](NCc1cccc(C[N@H+](C)CC)c1)CCC2 ZINC000123944861 1028152747 /nfs/dbraw/zinc/15/27/47/1028152747.db2.gz NPNRYQAFVSKFMU-KRWDZBQOSA-N 1 3 343.540 4.324 20 0 EIADHO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cncc(F)c1 ZINC000124717875 1028292091 /nfs/dbraw/zinc/29/20/91/1028292091.db2.gz WYOBNXHURKUDDL-VDXVPGQCSA-N 1 3 341.474 4.028 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281360506 1028560260 /nfs/dbraw/zinc/56/02/60/1028560260.db2.gz WBDDSZXMVHDTHW-OAQYLSRUSA-N 1 3 341.474 4.302 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281360506 1028560300 /nfs/dbraw/zinc/56/03/00/1028560300.db2.gz WBDDSZXMVHDTHW-OAQYLSRUSA-N 1 3 341.474 4.302 20 0 EIADHO Cc1ccccc1C1(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000650740556 1029044492 /nfs/dbraw/zinc/04/44/92/1029044492.db2.gz MRBOPODWOUBXLX-UNMCSNQZSA-N 1 3 348.490 4.220 20 0 EIADHO Cc1ccccc1C1(N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000647316280 1029423452 /nfs/dbraw/zinc/42/34/52/1029423452.db2.gz YVAFGJLBNJDKTG-SFHVURJKSA-N 1 3 338.495 4.275 20 0 EIADHO CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475218834 1029453160 /nfs/dbraw/zinc/45/31/60/1029453160.db2.gz HDWPIZNTEYGBSX-NRFANRHFSA-N 1 3 339.527 4.146 20 0 EIADHO CC(C)COc1ccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166534644 1029524273 /nfs/dbraw/zinc/52/42/73/1029524273.db2.gz GKTMFPVRUSMESE-WOJBJXKFSA-N 1 3 344.543 4.215 20 0 EIADHO CC(C)COc1ccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166534644 1029524282 /nfs/dbraw/zinc/52/42/82/1029524282.db2.gz GKTMFPVRUSMESE-WOJBJXKFSA-N 1 3 344.543 4.215 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000584380787 1029795298 /nfs/dbraw/zinc/79/52/98/1029795298.db2.gz SDKIMIKXQCNPAK-RBBKRZOGSA-N 1 3 344.543 4.084 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000091287734 1029882377 /nfs/dbraw/zinc/88/23/77/1029882377.db2.gz QKFXDEDQGIWJGV-SUMWQHHRSA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000091287734 1029882378 /nfs/dbraw/zinc/88/23/78/1029882378.db2.gz QKFXDEDQGIWJGV-SUMWQHHRSA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000091287734 1029882380 /nfs/dbraw/zinc/88/23/80/1029882380.db2.gz QKFXDEDQGIWJGV-SUMWQHHRSA-N 1 3 326.406 4.088 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](c2cccnc2)C(C)C)cc1 ZINC000091267346 1029882501 /nfs/dbraw/zinc/88/25/01/1029882501.db2.gz QCCYUGGNFVMXJV-NRFANRHFSA-N 1 3 325.500 4.410 20 0 EIADHO CC(C)[C@@H](NCc1ccccc1C[N@H+](C)C(C)C)c1cccnc1 ZINC000091285233 1029882636 /nfs/dbraw/zinc/88/26/36/1029882636.db2.gz SDUTVYCMARHVRD-OAQYLSRUSA-N 1 3 325.500 4.409 20 0 EIADHO CC(C)[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1cccnc1 ZINC000091285233 1029882639 /nfs/dbraw/zinc/88/26/39/1029882639.db2.gz SDUTVYCMARHVRD-OAQYLSRUSA-N 1 3 325.500 4.409 20 0 EIADHO CCc1ncc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000093006740 1029963245 /nfs/dbraw/zinc/96/32/45/1029963245.db2.gz VKEURDRAKNKGMF-UHFFFAOYSA-N 1 3 343.540 4.050 20 0 EIADHO CCc1ncc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000093006740 1029963275 /nfs/dbraw/zinc/96/32/75/1029963275.db2.gz VKEURDRAKNKGMF-UHFFFAOYSA-N 1 3 343.540 4.050 20 0 EIADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601018 1030220723 /nfs/dbraw/zinc/22/07/23/1030220723.db2.gz OLWXYLCKDDCTBF-WAOWUJCRSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601018 1030220742 /nfs/dbraw/zinc/22/07/42/1030220742.db2.gz OLWXYLCKDDCTBF-WAOWUJCRSA-N 1 3 338.495 4.399 20 0 EIADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000685455690 1030341778 /nfs/dbraw/zinc/34/17/78/1030341778.db2.gz LFXUHYOGVFTFRB-LJQWKTEUSA-N 1 3 344.543 4.283 20 0 EIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000527232754 1030586721 /nfs/dbraw/zinc/58/67/21/1030586721.db2.gz NULCXCHTZSDAFQ-QZTJIDSGSA-N 1 3 344.543 4.431 20 0 EIADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1 ZINC000122383793 1030811660 /nfs/dbraw/zinc/81/16/60/1030811660.db2.gz ZHZORKFKELUTLS-IBGZPJMESA-N 1 3 330.447 4.007 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2ccncc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000527685974 1030825506 /nfs/dbraw/zinc/82/55/06/1030825506.db2.gz YXODXBHFAPMKOC-AEFFLSMTSA-N 1 3 343.902 4.125 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2ccncc2Cl)C[N@H+]1Cc1ccccc1 ZINC000527685974 1030825510 /nfs/dbraw/zinc/82/55/10/1030825510.db2.gz YXODXBHFAPMKOC-AEFFLSMTSA-N 1 3 343.902 4.125 20 0 EIADHO C[C@@H]1[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000658164474 1030860374 /nfs/dbraw/zinc/86/03/74/1030860374.db2.gz DKGAFRGGTXBZIQ-OFAXGOBFSA-N 1 3 349.522 4.075 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165408 1030862586 /nfs/dbraw/zinc/86/25/86/1030862586.db2.gz JJXMOPFVKZXLCA-GCJKJVERSA-N 1 3 349.522 4.440 20 0 EIADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)[C@@H](C)C2 ZINC000658168497 1030866255 /nfs/dbraw/zinc/86/62/55/1030866255.db2.gz XNBGJWUZTURZRU-MBSDFSHPSA-N 1 3 349.522 4.125 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccoc1 ZINC000531719686 1031520177 /nfs/dbraw/zinc/52/01/77/1031520177.db2.gz BDUKLOVQIQUWBW-HNNXBMFYSA-N 1 3 332.875 4.496 20 0 EIADHO CC[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000453153554 1031630182 /nfs/dbraw/zinc/63/01/82/1031630182.db2.gz VKGGJTCVKCEZRL-OSZJIOELSA-N 1 3 337.511 4.279 20 0 EIADHO CC[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000453153554 1031630199 /nfs/dbraw/zinc/63/01/99/1031630199.db2.gz VKGGJTCVKCEZRL-OSZJIOELSA-N 1 3 337.511 4.279 20 0 EIADHO CC1(C)CN(Cc2ccncc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449417512 1031702407 /nfs/dbraw/zinc/70/24/07/1031702407.db2.gz YOTGVOHOVWQSCD-JOCHJYFZSA-N 1 3 349.522 4.204 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000512646590 1033612755 /nfs/dbraw/zinc/61/27/55/1033612755.db2.gz BMWAUGSCCQIEGO-LWYYNNOASA-N 1 3 348.481 4.455 20 0 EIADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512653433 1033622308 /nfs/dbraw/zinc/62/23/08/1033622308.db2.gz FHIFODHMDTVILA-RCCFBDPRSA-N 1 3 340.433 4.219 20 0 EIADHO CC1CC[NH+](C[C@H]2CCCN(CC3CCC(F)(F)CC3)C2)CC1 ZINC001307440779 1033751224 /nfs/dbraw/zinc/75/12/24/1033751224.db2.gz SUVIIVWKPJMILI-GOSISDBHSA-N 1 3 328.491 4.256 20 0 EIADHO C[NH+](C)CCOc1cccc(CNCc2ccc(C(C)(C)C)cc2)c1 ZINC000512814162 1034006059 /nfs/dbraw/zinc/00/60/59/1034006059.db2.gz CPIFLONGAMKHFZ-UHFFFAOYSA-N 1 3 340.511 4.214 20 0 EIADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000501005033 1035343590 /nfs/dbraw/zinc/34/35/90/1035343590.db2.gz CTUBBFDHVKKOFB-NRFANRHFSA-N 1 3 345.575 4.170 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000501380169 1035434427 /nfs/dbraw/zinc/43/44/27/1035434427.db2.gz CUIZLRKKNOWIDT-BAAYTWLHSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000501380169 1035434431 /nfs/dbraw/zinc/43/44/31/1035434431.db2.gz CUIZLRKKNOWIDT-BAAYTWLHSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000501380169 1035434435 /nfs/dbraw/zinc/43/44/35/1035434435.db2.gz CUIZLRKKNOWIDT-BAAYTWLHSA-N 1 3 338.417 4.183 20 0 EIADHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccnc(Cl)c1 ZINC000156215116 1035515273 /nfs/dbraw/zinc/51/52/73/1035515273.db2.gz XGOBLZSYEQHTTG-JKSUJKDBSA-N 1 3 331.891 4.296 20 0 EIADHO [NH3+]C[C@@H]1CN([C@@H]2CCc3c2cccc3Cl)C[C@H]1c1ccccc1 ZINC000420315846 1035515700 /nfs/dbraw/zinc/51/57/00/1035515700.db2.gz MVQOMNXGDPLRQU-MOXGXCLJSA-N 1 3 326.871 4.002 20 0 EIADHO Cc1cc2cc(CN[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH]1 ZINC000575202762 1035723369 /nfs/dbraw/zinc/72/33/69/1035723369.db2.gz AQWWFFCBOLAPDP-JTSKRJEESA-N 1 3 347.506 4.477 20 0 EIADHO Cc1cc2cc(CN[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)ccc2[nH]1 ZINC000575202762 1035723377 /nfs/dbraw/zinc/72/33/77/1035723377.db2.gz AQWWFFCBOLAPDP-JTSKRJEESA-N 1 3 347.506 4.477 20 0 EIADHO CC1(c2ccccc2)CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000668513838 1036029219 /nfs/dbraw/zinc/02/92/19/1036029219.db2.gz YAXLEJOUGYKLJK-UHFFFAOYSA-N 1 3 349.522 4.004 20 0 EIADHO Cc1ccc(-c2nc(CNC3CCC([NH+](C)C)CC3)cs2)cc1 ZINC000421365743 1036311129 /nfs/dbraw/zinc/31/11/29/1036311129.db2.gz AUNLWHFVWTUYMX-UHFFFAOYSA-N 1 3 329.513 4.081 20 0 EIADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421824897 1036781217 /nfs/dbraw/zinc/78/12/17/1036781217.db2.gz KWJSWFBUNOFSSH-INIZCTEOSA-N 1 3 343.902 4.298 20 0 EIADHO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccncc1Cl ZINC000421829452 1036790840 /nfs/dbraw/zinc/79/08/40/1036790840.db2.gz HYXYFXYFLNOXJZ-RYRKJORJSA-N 1 3 343.902 4.439 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccnc(Cl)c2)cc1 ZINC000163567652 1036833422 /nfs/dbraw/zinc/83/34/22/1036833422.db2.gz PPURYLJFPQAXPM-OAHLLOKOSA-N 1 3 331.891 4.428 20 0 EIADHO CC1CC[NH+](Cc2cccc(CNC/C=C/c3ccncc3)c2)CC1 ZINC000487278500 1037091634 /nfs/dbraw/zinc/09/16/34/1037091634.db2.gz OCVGEHJFLNDWEJ-ZZXKWVIFSA-N 1 3 335.495 4.117 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000272265916 1037147032 /nfs/dbraw/zinc/14/70/32/1037147032.db2.gz AKVPTBQQKHUFBX-BXWFABGCSA-N 1 3 343.902 4.296 20 0 EIADHO C[NH+](C)CC[C@H](NCc1ccc(OCC(F)(F)F)cc1)C(C)(C)C ZINC000604771096 1037509449 /nfs/dbraw/zinc/50/94/49/1037509449.db2.gz VQRYHKUBSBOORM-INIZCTEOSA-N 1 3 346.437 4.084 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000422718234 1037812926 /nfs/dbraw/zinc/81/29/26/1037812926.db2.gz PMSBLRFWBQWYJS-JLTOFOAXSA-N 1 3 327.447 4.180 20 0 EIADHO N[C@H]1C[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)c2ccccc21 ZINC000422776630 1037829893 /nfs/dbraw/zinc/82/98/93/1037829893.db2.gz AQSXDIDIHNCRAT-RBUKOAKNSA-N 1 3 335.476 4.087 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1ccc(C(C)C)cc1 ZINC000422771333 1037831178 /nfs/dbraw/zinc/83/11/78/1037831178.db2.gz XYRKCYQSUAMGAZ-MRXNPFEDSA-N 1 3 325.500 4.256 20 0 EIADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422783679 1037833258 /nfs/dbraw/zinc/83/32/58/1037833258.db2.gz OQVBGFXHUUCMSH-APWZRJJASA-N 1 3 325.500 4.301 20 0 EIADHO COc1ccc([C@@H](C)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311123376 1037858105 /nfs/dbraw/zinc/85/81/05/1037858105.db2.gz HPZJHEKDDHEXNG-XMSQKQJNSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311123376 1037858108 /nfs/dbraw/zinc/85/81/08/1037858108.db2.gz HPZJHEKDDHEXNG-XMSQKQJNSA-N 1 3 338.495 4.258 20 0 EIADHO Cc1cccc(C2(C[NH2+][C@@H](C)c3ccc(CN)nc3C)CCCC2)c1 ZINC000422901760 1037863931 /nfs/dbraw/zinc/86/39/31/1037863931.db2.gz CDTFPPRMIMQZED-KRWDZBQOSA-N 1 3 337.511 4.320 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC000422993812 1037891344 /nfs/dbraw/zinc/89/13/44/1037891344.db2.gz GIIMKFLOJCHRTA-QGZVFWFLSA-N 1 3 325.500 4.242 20 0 EIADHO Fc1ccc(Oc2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000423001585 1037897963 /nfs/dbraw/zinc/89/79/63/1037897963.db2.gz IBJINKVJDWWQRU-DFNIBXOVSA-N 1 3 340.442 4.033 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423053862 1037941849 /nfs/dbraw/zinc/94/18/49/1037941849.db2.gz BDXMTFATCAZZOL-JSGCOSHPSA-N 1 3 325.481 4.475 20 0 EIADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092030 1037955283 /nfs/dbraw/zinc/95/52/83/1037955283.db2.gz AGAWQGSOEJUFCY-HJWJTTGWSA-N 1 3 326.406 4.201 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000423126403 1037968675 /nfs/dbraw/zinc/96/86/75/1037968675.db2.gz ISIBCJAIYCFURJ-XHDPSFHLSA-N 1 3 335.904 4.292 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000423105890 1037983778 /nfs/dbraw/zinc/98/37/78/1037983778.db2.gz JCNPTQBCQNICDJ-HZPDHXFCSA-N 1 3 341.499 4.090 20 0 EIADHO C[NH+]1CCC(C)(CNCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000503921339 1038002481 /nfs/dbraw/zinc/00/24/81/1038002481.db2.gz QJJMWMIJPJIGTR-UHFFFAOYSA-N 1 3 334.813 4.180 20 0 EIADHO [NH3+][C@@H]1C[C@@H](N2CCC(Cc3cccc(F)c3F)CC2)c2ccccc21 ZINC000423153207 1038004899 /nfs/dbraw/zinc/00/48/99/1038004899.db2.gz GXSWJBUFXHHVMU-WOJBJXKFSA-N 1 3 342.433 4.364 20 0 EIADHO CC(C)[C@H](NCCC[NH2+]Cc1cccnc1)c1cc2ccccc2o1 ZINC000423193124 1038051057 /nfs/dbraw/zinc/05/10/57/1038051057.db2.gz WOXCAMJWAYTFBU-NRFANRHFSA-N 1 3 337.467 4.294 20 0 EIADHO COc1ccc([C@@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423250938 1038081967 /nfs/dbraw/zinc/08/19/67/1038081967.db2.gz RFVGDDFBRUHGGO-MGPUTAFESA-N 1 3 344.886 4.027 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(Br)s2)cc1 ZINC000423290317 1038092566 /nfs/dbraw/zinc/09/25/66/1038092566.db2.gz CUVGXUFCAPPGSY-GHMZBOCLSA-N 1 3 339.302 4.381 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000423291259 1038094553 /nfs/dbraw/zinc/09/45/53/1038094553.db2.gz HNJXBVDDVOFYND-SCLBCKFNSA-N 1 3 330.859 4.363 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000423290071 1038095228 /nfs/dbraw/zinc/09/52/28/1038095228.db2.gz CHEOENVLQACINH-OLZOCXBDSA-N 1 3 338.373 4.456 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCN1 ZINC000423380571 1038194677 /nfs/dbraw/zinc/19/46/77/1038194677.db2.gz MZAYVAXNNPGAOH-JWZBEHFJSA-N 1 3 326.406 4.072 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)(F)F)cc1 ZINC000423376805 1038205915 /nfs/dbraw/zinc/20/59/15/1038205915.db2.gz JBRSHNQRXRFSLU-GFCCVEGCSA-N 1 3 336.357 4.039 20 0 EIADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423478947 1038249824 /nfs/dbraw/zinc/24/98/24/1038249824.db2.gz UYKHXSSPDUXXCQ-UONOGXRCSA-N 1 3 335.904 4.168 20 0 EIADHO C[C@@H]([NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)[C@H](C)N ZINC000423454646 1038252945 /nfs/dbraw/zinc/25/29/45/1038252945.db2.gz ZHRIHOYPAZFEAQ-MISXGVKJSA-N 1 3 335.904 4.166 20 0 EIADHO COc1ccc2c(c1)[C@@H](N[C@H](CCC[NH3+])c1ccccc1)CCS2 ZINC000423503166 1038256323 /nfs/dbraw/zinc/25/63/23/1038256323.db2.gz FLWHCTGYZJUSLW-MOPGFXCFSA-N 1 3 342.508 4.302 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424378988 1038839325 /nfs/dbraw/zinc/83/93/25/1038839325.db2.gz UUGOOVIVNZRSCW-HFBAOOFYSA-N 1 3 333.476 4.178 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000480887606 1038853976 /nfs/dbraw/zinc/85/39/76/1038853976.db2.gz FMIFRNMICOYHPG-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000480887606 1038853978 /nfs/dbraw/zinc/85/39/78/1038853978.db2.gz FMIFRNMICOYHPG-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO CCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000539252281 1038896684 /nfs/dbraw/zinc/89/66/84/1038896684.db2.gz ILKJDAFIPRPSJX-WMZOPIPTSA-N 1 3 334.504 4.009 20 0 EIADHO Cc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)sc1Br ZINC000414801846 1038983009 /nfs/dbraw/zinc/98/30/09/1038983009.db2.gz ARRFINOBKCPPCC-NSHDSACASA-N 1 3 339.302 4.129 20 0 EIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(c3ccccn3)CCC2)CC1 ZINC000552099517 1039157952 /nfs/dbraw/zinc/15/79/52/1039157952.db2.gz LLIRUVLYCGTCOQ-ICSRJNTNSA-N 1 3 341.543 4.136 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC000481294924 1039230185 /nfs/dbraw/zinc/23/01/85/1039230185.db2.gz MZQGGPMAXWLLAT-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO Cc1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)cc1C ZINC000122323640 1039643112 /nfs/dbraw/zinc/64/31/12/1039643112.db2.gz LPDAIRYUKFSSCT-SFHVURJKSA-N 1 3 326.484 4.095 20 0 EIADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cc(C)ccc1OC ZINC000093370292 1039673671 /nfs/dbraw/zinc/67/36/71/1039673671.db2.gz JGMRUGHSMRUHJX-HXUWFJFHSA-N 1 3 326.484 4.306 20 0 EIADHO Cc1cc(C)c([C@H](C)NCc2ccccc2OCC[NH+](C)C)cc1C ZINC000481727217 1039791579 /nfs/dbraw/zinc/79/15/79/1039791579.db2.gz PJVSVAVHCHLQSH-IBGZPJMESA-N 1 3 340.511 4.403 20 0 EIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414857189 1039896805 /nfs/dbraw/zinc/89/68/05/1039896805.db2.gz BSZWFETYWWLFRL-QGZVFWFLSA-N 1 3 345.531 4.168 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000482323921 1040168626 /nfs/dbraw/zinc/16/86/26/1040168626.db2.gz UJJGFRKNQMULGQ-QVKFZJNVSA-N 1 3 326.459 4.301 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000482323921 1040168665 /nfs/dbraw/zinc/16/86/65/1040168665.db2.gz UJJGFRKNQMULGQ-QVKFZJNVSA-N 1 3 326.459 4.301 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000482434323 1040242941 /nfs/dbraw/zinc/24/29/41/1040242941.db2.gz FNKLMMJLDYXELO-HKUYNNGSSA-N 1 3 326.459 4.041 20 0 EIADHO c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482439907 1040247221 /nfs/dbraw/zinc/24/72/21/1040247221.db2.gz PRLVUBOUXBUQHI-AZUAARDMSA-N 1 3 340.536 4.280 20 0 EIADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482456275 1040254799 /nfs/dbraw/zinc/25/47/99/1040254799.db2.gz ZGWQUNFJGWFIJH-XQFWAAQXSA-N 1 3 334.507 4.074 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461734 1040367970 /nfs/dbraw/zinc/36/79/70/1040367970.db2.gz DLJDMMGEBSUECV-SIKLNZKXSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461734 1040367990 /nfs/dbraw/zinc/36/79/90/1040367990.db2.gz DLJDMMGEBSUECV-SIKLNZKXSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000479461027 1040369164 /nfs/dbraw/zinc/36/91/64/1040369164.db2.gz AQMLGMKUMBHULA-GHTZIAJQSA-N 1 3 341.474 4.030 20 0 EIADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995350 1040404397 /nfs/dbraw/zinc/40/43/97/1040404397.db2.gz KPBCCIVWCZSQBF-YOEHRIQHSA-N 1 3 340.433 4.291 20 0 EIADHO c1ccc(N2CCC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000483123058 1040715924 /nfs/dbraw/zinc/71/59/24/1040715924.db2.gz DDNJJLAUXSOVBJ-FQEVSTJZSA-N 1 3 341.543 4.042 20 0 EIADHO C[C@]1(CNCc2cccc3cnccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000311581911 1040733772 /nfs/dbraw/zinc/73/37/72/1040733772.db2.gz DAEGVTZCQOBTKN-HSZRJFAPSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@]1(CNCc2cccc3cnccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000311581911 1040733783 /nfs/dbraw/zinc/73/37/83/1040733783.db2.gz DAEGVTZCQOBTKN-HSZRJFAPSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000480160224 1041015948 /nfs/dbraw/zinc/01/59/48/1041015948.db2.gz OAEHRQGQDBIPNG-AWEZNQCLSA-N 1 3 328.472 4.180 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097058 1041046827 /nfs/dbraw/zinc/04/68/27/1041046827.db2.gz OHMYDKFSQMEMBG-QRWLVFNGSA-N 1 3 344.499 4.407 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097058 1041046842 /nfs/dbraw/zinc/04/68/42/1041046842.db2.gz OHMYDKFSQMEMBG-QRWLVFNGSA-N 1 3 344.499 4.407 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000480244552 1041100979 /nfs/dbraw/zinc/10/09/79/1041100979.db2.gz VMXBQDHDJWRSKK-OPAMFIHVSA-N 1 3 338.470 4.445 20 0 EIADHO CCC[NH+]1CCC(NCC(C)(C)c2c(F)cccc2Cl)CC1 ZINC000538159302 1041101947 /nfs/dbraw/zinc/10/19/47/1041101947.db2.gz OFFFZAXHWCGVRT-UHFFFAOYSA-N 1 3 326.887 4.221 20 0 EIADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCCO2 ZINC000540189586 1041233443 /nfs/dbraw/zinc/23/34/43/1041233443.db2.gz BFBGRXNCYJNBMA-IBGZPJMESA-N 1 3 330.516 4.370 20 0 EIADHO CCO[C@@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000484479136 1041273087 /nfs/dbraw/zinc/27/30/87/1041273087.db2.gz WJUXPSMOQLDIFH-NRFANRHFSA-N 1 3 336.564 4.359 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301593 1041352295 /nfs/dbraw/zinc/35/22/95/1041352295.db2.gz LQUYJOUCDUESDK-SJKOYZFVSA-N 1 3 327.299 4.376 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301593 1041352304 /nfs/dbraw/zinc/35/23/04/1041352304.db2.gz LQUYJOUCDUESDK-SJKOYZFVSA-N 1 3 327.299 4.376 20 0 EIADHO CCCC[N@H+](C)CC1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000480519959 1041365822 /nfs/dbraw/zinc/36/58/22/1041365822.db2.gz CBIXSJCVQRPZIX-UHFFFAOYSA-N 1 3 330.516 4.012 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000480519959 1041365836 /nfs/dbraw/zinc/36/58/36/1041365836.db2.gz CBIXSJCVQRPZIX-UHFFFAOYSA-N 1 3 330.516 4.012 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463207405 1041419461 /nfs/dbraw/zinc/41/94/61/1041419461.db2.gz SQVYGBXETXBYRB-WIYYLYMNSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463207405 1041419467 /nfs/dbraw/zinc/41/94/67/1041419467.db2.gz SQVYGBXETXBYRB-WIYYLYMNSA-N 1 3 338.495 4.146 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000643514086 1041425281 /nfs/dbraw/zinc/42/52/81/1041425281.db2.gz VIONZFNEGGVANK-IERDGZPVSA-N 1 3 346.478 4.059 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000480733986 1041496824 /nfs/dbraw/zinc/49/68/24/1041496824.db2.gz BLHRAZKPJLFGAW-BRWVUGGUSA-N 1 3 338.948 4.427 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480733986 1041496836 /nfs/dbraw/zinc/49/68/36/1041496836.db2.gz BLHRAZKPJLFGAW-BRWVUGGUSA-N 1 3 338.948 4.427 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000538738293 1041512650 /nfs/dbraw/zinc/51/26/50/1041512650.db2.gz LRPRUKRMVPGWLD-YLJYHZDGSA-N 1 3 330.516 4.170 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000538738293 1041512665 /nfs/dbraw/zinc/51/26/65/1041512665.db2.gz LRPRUKRMVPGWLD-YLJYHZDGSA-N 1 3 330.516 4.170 20 0 EIADHO CCN(Cc1ccc(OC)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538761882 1041536651 /nfs/dbraw/zinc/53/66/51/1041536651.db2.gz IUEOQTNFRBUIQR-OAQYLSRUSA-N 1 3 338.495 4.039 20 0 EIADHO CCN(Cc1ccc(OC)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538761882 1041536661 /nfs/dbraw/zinc/53/66/61/1041536661.db2.gz IUEOQTNFRBUIQR-OAQYLSRUSA-N 1 3 338.495 4.039 20 0 EIADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(SCC(F)(F)F)cc1 ZINC000425935969 1041980134 /nfs/dbraw/zinc/98/01/34/1041980134.db2.gz KJRPJGDNHSLIEN-QWHCGFSZSA-N 1 3 334.451 4.189 20 0 EIADHO FC1(F)CC(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000425940695 1042017390 /nfs/dbraw/zinc/01/73/90/1042017390.db2.gz XNIPNMOUVJKIMA-SLFFLAALSA-N 1 3 348.481 4.312 20 0 EIADHO COc1ccc2oc([C@@H](C)[NH2+]CC[C@H]3CCCCN3C)c(C)c2c1 ZINC000541653726 1042058480 /nfs/dbraw/zinc/05/84/80/1042058480.db2.gz PFBJTIKVSWWYTE-HZPDHXFCSA-N 1 3 330.472 4.275 20 0 EIADHO CCN(C)C[C@@H]1CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000464792244 1042169569 /nfs/dbraw/zinc/16/95/69/1042169569.db2.gz WCRXDXGUHJTXFC-HNNXBMFYSA-N 1 3 326.937 4.096 20 0 EIADHO CCN(C)C[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000464792244 1042169575 /nfs/dbraw/zinc/16/95/75/1042169575.db2.gz WCRXDXGUHJTXFC-HNNXBMFYSA-N 1 3 326.937 4.096 20 0 EIADHO C[N@H+](CCSc1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464833802 1042180441 /nfs/dbraw/zinc/18/04/41/1042180441.db2.gz GCIMVBJBGAPILU-HXUWFJFHSA-N 1 3 340.536 4.233 20 0 EIADHO C[N@@H+](CCSc1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464833802 1042180444 /nfs/dbraw/zinc/18/04/44/1042180444.db2.gz GCIMVBJBGAPILU-HXUWFJFHSA-N 1 3 340.536 4.233 20 0 EIADHO CC(C)N1CCC([N@H+](C)Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506372529 1042360597 /nfs/dbraw/zinc/36/05/97/1042360597.db2.gz WBGHLXCUEGGEEE-UHFFFAOYSA-N 1 3 330.447 4.390 20 0 EIADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000506372529 1042360606 /nfs/dbraw/zinc/36/06/06/1042360606.db2.gz WBGHLXCUEGGEEE-UHFFFAOYSA-N 1 3 330.447 4.390 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000518765609 1042675522 /nfs/dbraw/zinc/67/55/22/1042675522.db2.gz QCKCQNXWVRMDBT-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000518765609 1042675530 /nfs/dbraw/zinc/67/55/30/1042675530.db2.gz QCKCQNXWVRMDBT-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000518765609 1042675537 /nfs/dbraw/zinc/67/55/37/1042675537.db2.gz QCKCQNXWVRMDBT-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000518765609 1042675544 /nfs/dbraw/zinc/67/55/44/1042675544.db2.gz QCKCQNXWVRMDBT-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO c1ccc2c(c1)C=C(CNCc1ccc(C[NH+]3CCCCC3)cc1)CO2 ZINC000518771226 1042678933 /nfs/dbraw/zinc/67/89/33/1042678933.db2.gz NBFQDZYLEBAJJC-UHFFFAOYSA-N 1 3 348.490 4.238 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cccc2c1NCCC2 ZINC000894386174 1042712468 /nfs/dbraw/zinc/71/24/68/1042712468.db2.gz ZXQSLXROIIZDGQ-UHFFFAOYSA-N 1 3 337.511 4.175 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cccc2c1NCCC2 ZINC000894386174 1042712476 /nfs/dbraw/zinc/71/24/76/1042712476.db2.gz ZXQSLXROIIZDGQ-UHFFFAOYSA-N 1 3 337.511 4.175 20 0 EIADHO c1csc(C[N@H+]2CCC[C@@H](CNc3ccnc4ccccc43)C2)c1 ZINC000518893855 1042742156 /nfs/dbraw/zinc/74/21/56/1042742156.db2.gz ILTDTPPHBCAOLA-INIZCTEOSA-N 1 3 337.492 4.042 20 0 EIADHO c1csc(C[N@@H+]2CCC[C@@H](CNc3ccnc4ccccc43)C2)c1 ZINC000518893855 1042742168 /nfs/dbraw/zinc/74/21/68/1042742168.db2.gz ILTDTPPHBCAOLA-INIZCTEOSA-N 1 3 337.492 4.042 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000493075094 1042811210 /nfs/dbraw/zinc/81/12/10/1042811210.db2.gz BIOFOMOEGYKOMV-FGZHOGPDSA-N 1 3 340.511 4.031 20 0 EIADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309710701 1042819349 /nfs/dbraw/zinc/81/93/49/1042819349.db2.gz JESXOHUZMZRMCF-SJLPKXTDSA-N 1 3 328.525 4.483 20 0 EIADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309710701 1042819352 /nfs/dbraw/zinc/81/93/52/1042819352.db2.gz JESXOHUZMZRMCF-SJLPKXTDSA-N 1 3 328.525 4.483 20 0 EIADHO CC[NH+]1CCC(N[C@H](C)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000310322394 1042834502 /nfs/dbraw/zinc/83/45/02/1042834502.db2.gz FZZNQZVZCSCTJT-GOSISDBHSA-N 1 3 338.495 4.401 20 0 EIADHO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000310970366 1042848456 /nfs/dbraw/zinc/84/84/56/1042848456.db2.gz DDQQVYWGAWSCGW-AZUAARDMSA-N 1 3 338.495 4.176 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311064193 1042851450 /nfs/dbraw/zinc/85/14/50/1042851450.db2.gz JCQRFOBBWYZVPE-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311609396 1042862581 /nfs/dbraw/zinc/86/25/81/1042862581.db2.gz DZEDYWIJGNPCND-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168007760 1043024128 /nfs/dbraw/zinc/02/41/28/1043024128.db2.gz UJTWBFCUJKDXST-VPTLXERWSA-N 1 3 344.449 4.496 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1CNCc1cccc(C[NH+](C)C)c1 ZINC000190817439 1043039626 /nfs/dbraw/zinc/03/96/26/1043039626.db2.gz UBVXCYXOOMCTED-UHFFFAOYSA-N 1 3 336.401 4.365 20 0 EIADHO Cc1cncc([C@@H](C)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000184278800 1043086977 /nfs/dbraw/zinc/08/69/77/1043086977.db2.gz UWRVKOANJQPJJY-PKOBYXMFSA-N 1 3 337.511 4.473 20 0 EIADHO Cc1cncc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000184278800 1043086989 /nfs/dbraw/zinc/08/69/89/1043086989.db2.gz UWRVKOANJQPJJY-PKOBYXMFSA-N 1 3 337.511 4.473 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000219151142 1043193904 /nfs/dbraw/zinc/19/39/04/1043193904.db2.gz UXJLPBQDWNPONE-CQSZACIVSA-N 1 3 339.321 4.220 20 0 EIADHO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC001168011834 1043352372 /nfs/dbraw/zinc/35/23/72/1043352372.db2.gz SWLIBAJODVIKML-NYUBLWNDSA-N 1 3 338.495 4.484 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cccnc2c1 ZINC000674067644 1043385938 /nfs/dbraw/zinc/38/59/38/1043385938.db2.gz MRFXEFYUGRPDEB-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cccnc2c1 ZINC000674067644 1043385945 /nfs/dbraw/zinc/38/59/45/1043385945.db2.gz MRFXEFYUGRPDEB-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO Clc1cccc2c1C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001168707179 1043895266 /nfs/dbraw/zinc/89/52/66/1043895266.db2.gz KCYJLMGCIRMGAX-KRWDZBQOSA-N 1 3 332.919 4.194 20 0 EIADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001168707179 1043895269 /nfs/dbraw/zinc/89/52/69/1043895269.db2.gz KCYJLMGCIRMGAX-KRWDZBQOSA-N 1 3 332.919 4.194 20 0 EIADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000658168044 1043948567 /nfs/dbraw/zinc/94/85/67/1043948567.db2.gz RRSFPPIESVSVLD-IBGZPJMESA-N 1 3 337.511 4.261 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000521953779 1044101694 /nfs/dbraw/zinc/10/16/94/1044101694.db2.gz UHQSPJDISMSSFI-UHFFFAOYSA-N 1 3 331.463 4.042 20 0 EIADHO C[C@H](NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1cccc(N)c1 ZINC001168026956 1044722011 /nfs/dbraw/zinc/72/20/11/1044722011.db2.gz MPVSXSRFJAWQRC-BZSNNMDCSA-N 1 3 337.511 4.361 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC1CC[NH+](C2CC2)CC1 ZINC000673599494 1044858766 /nfs/dbraw/zinc/85/87/66/1044858766.db2.gz XWQAXESQCHBZEQ-SDNWHVSQSA-N 1 3 338.417 4.325 20 0 EIADHO Fc1ccccc1C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000191693369 1044915266 /nfs/dbraw/zinc/91/52/66/1044915266.db2.gz QZVQIMHCSYXDAF-HTAPYJJXSA-N 1 3 338.470 4.183 20 0 EIADHO Fc1ccccc1C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000191693369 1044915279 /nfs/dbraw/zinc/91/52/79/1044915279.db2.gz QZVQIMHCSYXDAF-HTAPYJJXSA-N 1 3 338.470 4.183 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cscc1Br ZINC000512148701 1044968753 /nfs/dbraw/zinc/96/87/53/1044968753.db2.gz XVWISMMKMHIPOS-CYBMUJFWSA-N 1 3 345.350 4.255 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cscc1Br ZINC000512148701 1044968771 /nfs/dbraw/zinc/96/87/71/1044968771.db2.gz XVWISMMKMHIPOS-CYBMUJFWSA-N 1 3 345.350 4.255 20 0 EIADHO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc2ccccc21 ZINC000495478653 1045154135 /nfs/dbraw/zinc/15/41/35/1045154135.db2.gz DGWCXVOJPCNJOJ-GOSISDBHSA-N 1 3 338.495 4.135 20 0 EIADHO C[C@@H]([NH2+]Cc1scnc1C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000487567673 1045228281 /nfs/dbraw/zinc/22/82/81/1045228281.db2.gz YJPUMVZNOLODDQ-QAPCUYQASA-N 1 3 341.524 4.021 20 0 EIADHO C[C@H]([NH3+])[C@@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261658760 1046131739 /nfs/dbraw/zinc/13/17/39/1046131739.db2.gz BLLDDEIDVFBFJL-MAUKXSAKSA-N 1 3 344.449 4.156 20 0 EIADHO COc1ccc(-c2ccccc2C)cc1CNCC1=CC[N@H+](C)CC1 ZINC000459459451 1046697628 /nfs/dbraw/zinc/69/76/28/1046697628.db2.gz HQGLMZGFCPJDBB-UHFFFAOYSA-N 1 3 336.479 4.022 20 0 EIADHO COc1ccc(-c2ccccc2C)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000459459451 1046697636 /nfs/dbraw/zinc/69/76/36/1046697636.db2.gz HQGLMZGFCPJDBB-UHFFFAOYSA-N 1 3 336.479 4.022 20 0 EIADHO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459467879 1046703890 /nfs/dbraw/zinc/70/38/90/1046703890.db2.gz QQUSBCWKZZXLKD-IYVCXYCASA-N 1 3 326.528 4.349 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3ncccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644944 1046738541 /nfs/dbraw/zinc/73/85/41/1046738541.db2.gz HLTZUMXKXGYXQU-PGRDOPGGSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3ncccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379644944 1046738553 /nfs/dbraw/zinc/73/85/53/1046738553.db2.gz HLTZUMXKXGYXQU-PGRDOPGGSA-N 1 3 345.490 4.378 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379641554 1046746787 /nfs/dbraw/zinc/74/67/87/1046746787.db2.gz YKEBXQKZHBLVLA-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379641554 1046746804 /nfs/dbraw/zinc/74/68/04/1046746804.db2.gz YKEBXQKZHBLVLA-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)[C@@H](C)C1 ZINC000536853816 1046823278 /nfs/dbraw/zinc/82/32/78/1046823278.db2.gz VKXIFJNBZJUDMT-RXVVDRJESA-N 1 3 338.495 4.086 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCCO[C@H]2CCCc3ccccc32)CC1 ZINC000536871351 1046835302 /nfs/dbraw/zinc/83/53/02/1046835302.db2.gz QYVPPLZUCULGGR-NRFANRHFSA-N 1 3 344.543 4.323 20 0 EIADHO Fc1ccc(CC[NH2+]C2CCN(CC3CCCCC3)CC2)cc1F ZINC000786940225 1046889229 /nfs/dbraw/zinc/88/92/29/1046889229.db2.gz RBQKPCUJTXLOIW-UHFFFAOYSA-N 1 3 336.470 4.142 20 0 EIADHO Fc1ccc(CCNC2CC[NH+](CC3CCCCC3)CC2)cc1F ZINC000786940225 1046889226 /nfs/dbraw/zinc/88/92/26/1046889226.db2.gz RBQKPCUJTXLOIW-UHFFFAOYSA-N 1 3 336.470 4.142 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000806131036 1047155358 /nfs/dbraw/zinc/15/53/58/1047155358.db2.gz FPYYJZKDYWFBBI-GOSISDBHSA-N 1 3 343.902 4.352 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000806131036 1047155359 /nfs/dbraw/zinc/15/53/59/1047155359.db2.gz FPYYJZKDYWFBBI-GOSISDBHSA-N 1 3 343.902 4.352 20 0 EIADHO C[C@H](N[C@H](c1ccncc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898322422 1047615089 /nfs/dbraw/zinc/61/50/89/1047615089.db2.gz KZRGPLZIMLCPAU-HSQYWUDLSA-N 1 3 335.495 4.033 20 0 EIADHO C[C@H](N[C@H](c1ccncc1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898322422 1047615098 /nfs/dbraw/zinc/61/50/98/1047615098.db2.gz KZRGPLZIMLCPAU-HSQYWUDLSA-N 1 3 335.495 4.033 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000537517095 1047665889 /nfs/dbraw/zinc/66/58/89/1047665889.db2.gz YIEATYIHOJMBGC-IBGZPJMESA-N 1 3 342.527 4.236 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000537517095 1047665891 /nfs/dbraw/zinc/66/58/91/1047665891.db2.gz YIEATYIHOJMBGC-IBGZPJMESA-N 1 3 342.527 4.236 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000556857533 1048074729 /nfs/dbraw/zinc/07/47/29/1048074729.db2.gz CKSDQMAWLNNSAC-GGPKGHCWSA-N 1 3 346.563 4.379 20 0 EIADHO Clc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171105369 1048200607 /nfs/dbraw/zinc/20/06/07/1048200607.db2.gz SWFIDBONIJLUNA-LJQANCHMSA-N 1 3 332.919 4.194 20 0 EIADHO CN(C/C=C\c1ccc(F)cc1F)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738705 1048511119 /nfs/dbraw/zinc/51/11/19/1048511119.db2.gz GBFYCXWNTZAZAV-PLNGDYQASA-N 1 3 330.422 4.172 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC(F)F)cc1 ZINC000809739152 1048511181 /nfs/dbraw/zinc/51/11/81/1048511181.db2.gz ZBPTWQYGXIRZAF-UHFFFAOYSA-N 1 3 348.437 4.024 20 0 EIADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(N4CCCCC4)ccn3)c2c1 ZINC001171164796 1048606316 /nfs/dbraw/zinc/60/63/16/1048606316.db2.gz HDLLYRAUYKRJCD-QGZVFWFLSA-N 1 3 348.494 4.214 20 0 EIADHO C[C@H](NCc1cc2ccccc2o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133772982 1048804813 /nfs/dbraw/zinc/80/48/13/1048804813.db2.gz RLQAFIZVMWXVJQ-INIZCTEOSA-N 1 3 338.451 4.224 20 0 EIADHO ClC1(Cl)C[C@@H]1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000846106060 1048823426 /nfs/dbraw/zinc/82/34/26/1048823426.db2.gz XEIHATLXEYNZOJ-AWEZNQCLSA-N 1 3 333.347 4.347 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1(C)C ZINC001171349276 1049501100 /nfs/dbraw/zinc/50/11/00/1049501100.db2.gz HNXQYSDOQXXJRK-HNNXBMFYSA-N 1 3 336.470 4.063 20 0 EIADHO CCCCC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000773069311 1049564729 /nfs/dbraw/zinc/56/47/29/1049564729.db2.gz NXNBSPAQALVQKW-FDFHNCONSA-N 1 3 344.543 4.275 20 0 EIADHO Fc1cccc2c1CC[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001171419776 1049656274 /nfs/dbraw/zinc/65/62/74/1049656274.db2.gz UWLNMZPOMAETSC-PXNSSMCTSA-N 1 3 342.502 4.093 20 0 EIADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)(F)F ZINC000716680027 1049701714 /nfs/dbraw/zinc/70/17/14/1049701714.db2.gz PKASZECXGJWRAE-UBDQQSCGSA-N 1 3 340.433 4.218 20 0 EIADHO Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001171559564 1049755343 /nfs/dbraw/zinc/75/53/43/1049755343.db2.gz IKUHLHKDQPUXOV-HXUWFJFHSA-N 1 3 326.528 4.239 20 0 EIADHO COc1cccc([C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C2CC2)c1 ZINC001171630485 1049761903 /nfs/dbraw/zinc/76/19/03/1049761903.db2.gz OYAFFYYEHKEFOY-LJQANCHMSA-N 1 3 330.516 4.387 20 0 EIADHO CN1C(C)(C)CC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC001171626822 1049769362 /nfs/dbraw/zinc/76/93/62/1049769362.db2.gz CIPYSNBPORCRCH-UHFFFAOYSA-N 1 3 332.507 4.389 20 0 EIADHO C[C@H](CN)C[N@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648206 1049769416 /nfs/dbraw/zinc/76/94/16/1049769416.db2.gz QNVULFCTQMFYHT-BZOOQXSSSA-N 1 3 339.321 4.002 20 0 EIADHO C[C@H](CN)C[N@@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648206 1049769420 /nfs/dbraw/zinc/76/94/20/1049769420.db2.gz QNVULFCTQMFYHT-BZOOQXSSSA-N 1 3 339.321 4.002 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1(C)C ZINC001171640036 1049779338 /nfs/dbraw/zinc/77/93/38/1049779338.db2.gz ZXYCUUNCSIXLQH-SFHVURJKSA-N 1 3 332.557 4.428 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCSC[C@H]2c2ccccc2)CC1(C)C ZINC001171640036 1049779349 /nfs/dbraw/zinc/77/93/49/1049779349.db2.gz ZXYCUUNCSIXLQH-SFHVURJKSA-N 1 3 332.557 4.428 20 0 EIADHO Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001170997067 1049807527 /nfs/dbraw/zinc/80/75/27/1049807527.db2.gz QMHYUUJDASMPIQ-RBUKOAKNSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001170997067 1049807530 /nfs/dbraw/zinc/80/75/30/1049807530.db2.gz QMHYUUJDASMPIQ-RBUKOAKNSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001170997062 1049808121 /nfs/dbraw/zinc/80/81/21/1049808121.db2.gz QMHYUUJDASMPIQ-MOPGFXCFSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001170997062 1049808123 /nfs/dbraw/zinc/80/81/23/1049808123.db2.gz QMHYUUJDASMPIQ-MOPGFXCFSA-N 1 3 330.491 4.023 20 0 EIADHO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245725350 1049838546 /nfs/dbraw/zinc/83/85/46/1049838546.db2.gz PIOQHRLTOHCOBX-HUUJSLGLSA-N 1 3 336.479 4.442 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3cc(Br)ccc31)C2 ZINC001172104952 1049857602 /nfs/dbraw/zinc/85/76/02/1049857602.db2.gz FDJSZGYSRQHTBC-XLMAVXFVSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3cc(Br)ccc31)C2 ZINC001172104952 1049857603 /nfs/dbraw/zinc/85/76/03/1049857603.db2.gz FDJSZGYSRQHTBC-XLMAVXFVSA-N 1 3 349.316 4.041 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](CC(C)C)c2cccc(F)c2)CC1 ZINC001172246847 1049872256 /nfs/dbraw/zinc/87/22/56/1049872256.db2.gz XBESEDUEWBCENS-FQEVSTJZSA-N 1 3 336.495 4.003 20 0 EIADHO Fc1c(CNCCCCCCC[NH+]2CCCC2)ccnc1Cl ZINC000823813095 1049876937 /nfs/dbraw/zinc/87/69/37/1049876937.db2.gz VQRJUXLSRRIADS-UHFFFAOYSA-N 1 3 327.875 4.010 20 0 EIADHO C[C@H](CN[C@@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+]1CCCC1 ZINC000247046273 1050011395 /nfs/dbraw/zinc/01/13/95/1050011395.db2.gz NABFLIATXLWRBM-PMPSAXMXSA-N 1 3 331.529 4.110 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)CN1CCCC1 ZINC000247046273 1050011399 /nfs/dbraw/zinc/01/13/99/1050011399.db2.gz NABFLIATXLWRBM-PMPSAXMXSA-N 1 3 331.529 4.110 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000089513054 1050120855 /nfs/dbraw/zinc/12/08/55/1050120855.db2.gz JRASQKAWYHOMAD-CYBMUJFWSA-N 1 3 344.421 4.499 20 0 EIADHO c1ccc(CC2CCC(N3CCC([NH+]4CCCC4)CC3)CC2)cc1 ZINC001172823550 1050163562 /nfs/dbraw/zinc/16/35/62/1050163562.db2.gz VOLAHZRCNMXTEW-UHFFFAOYSA-N 1 3 326.528 4.348 20 0 EIADHO c1ccc(CC2CCC([NH+]3CCC(N4CCCC4)CC3)CC2)cc1 ZINC001172823550 1050163565 /nfs/dbraw/zinc/16/35/65/1050163565.db2.gz VOLAHZRCNMXTEW-UHFFFAOYSA-N 1 3 326.528 4.348 20 0 EIADHO Cc1c(Cl)cccc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC001177244943 1050173253 /nfs/dbraw/zinc/17/32/53/1050173253.db2.gz JUEUBXGGSSASLS-UHFFFAOYSA-N 1 3 328.887 4.186 20 0 EIADHO Cc1c(Cl)cccc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC001177244943 1050173267 /nfs/dbraw/zinc/17/32/67/1050173267.db2.gz JUEUBXGGSSASLS-UHFFFAOYSA-N 1 3 328.887 4.186 20 0 EIADHO N[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@@H]1F ZINC001206187038 1050266460 /nfs/dbraw/zinc/26/64/60/1050266460.db2.gz SPPOBVFIHDKCNA-OALUTQOASA-N 1 3 348.849 4.394 20 0 EIADHO N[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@@H]1F ZINC001206187038 1050266469 /nfs/dbraw/zinc/26/64/69/1050266469.db2.gz SPPOBVFIHDKCNA-OALUTQOASA-N 1 3 348.849 4.394 20 0 EIADHO CC[NH+](CC)C1CCC(NCc2c(F)ccc(Cl)c2F)CC1 ZINC001173105853 1050308153 /nfs/dbraw/zinc/30/81/53/1050308153.db2.gz WZLHQZPWNNSCND-UHFFFAOYSA-N 1 3 330.850 4.361 20 0 EIADHO Cc1nn(C(C)C)c(C)c1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC001177961739 1050332819 /nfs/dbraw/zinc/33/28/19/1050332819.db2.gz MDTBJYKDVBKIIJ-QGZVFWFLSA-N 1 3 342.531 4.081 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2ccoc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001178330263 1050436460 /nfs/dbraw/zinc/43/64/60/1050436460.db2.gz ALMSVPXXIXCOGO-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](NCc1cccc2ccoc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178330263 1050436462 /nfs/dbraw/zinc/43/64/62/1050436462.db2.gz ALMSVPXXIXCOGO-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](NCc1cccc2ccoc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178330263 1050436469 /nfs/dbraw/zinc/43/64/69/1050436469.db2.gz ALMSVPXXIXCOGO-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO CCSC[C@H](C)N1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173316896 1050438565 /nfs/dbraw/zinc/43/85/65/1050438565.db2.gz ZXJXFAKGJBTVDR-AZUAARDMSA-N 1 3 332.557 4.116 20 0 EIADHO CCSC[C@H](C)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173316896 1050438568 /nfs/dbraw/zinc/43/85/68/1050438568.db2.gz ZXJXFAKGJBTVDR-AZUAARDMSA-N 1 3 332.557 4.116 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1CN1CCCCC1 ZINC000182212413 1050543916 /nfs/dbraw/zinc/54/39/16/1050543916.db2.gz CMYQPMGHEHYNMZ-GOSISDBHSA-N 1 3 348.531 4.147 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378988 1051169837 /nfs/dbraw/zinc/16/98/37/1051169837.db2.gz OTMRNVPXJFQJPN-SUMWQHHRSA-N 1 3 340.483 4.310 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378988 1051169842 /nfs/dbraw/zinc/16/98/42/1051169842.db2.gz OTMRNVPXJFQJPN-SUMWQHHRSA-N 1 3 340.483 4.310 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378988 1051169854 /nfs/dbraw/zinc/16/98/54/1051169854.db2.gz OTMRNVPXJFQJPN-SUMWQHHRSA-N 1 3 340.483 4.310 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2cnn(C3CCC3)c2)CC1)CC(C)C ZINC001181514231 1051243704 /nfs/dbraw/zinc/24/37/04/1051243704.db2.gz BQIHNLHFNJCVPQ-UHFFFAOYSA-N 1 3 346.563 4.188 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2cnn(C3CCC3)c2)CC1)CC(C)C ZINC001181514231 1051243714 /nfs/dbraw/zinc/24/37/14/1051243714.db2.gz BQIHNLHFNJCVPQ-UHFFFAOYSA-N 1 3 346.563 4.188 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)C1 ZINC000163221303 1051251923 /nfs/dbraw/zinc/25/19/23/1051251923.db2.gz AXVUSPKFOGBSMF-UONOGXRCSA-N 1 3 328.472 4.036 20 0 EIADHO Cc1c(C)c(C)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1C ZINC001191444109 1051460527 /nfs/dbraw/zinc/46/05/27/1051460527.db2.gz IEJFIRAZNXXCQP-OAQYLSRUSA-N 1 3 328.544 4.392 20 0 EIADHO Cc1c(C)c(C)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1C ZINC001191444109 1051460534 /nfs/dbraw/zinc/46/05/34/1051460534.db2.gz IEJFIRAZNXXCQP-OAQYLSRUSA-N 1 3 328.544 4.392 20 0 EIADHO c1ccc(CN2CC=C(Nc3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC001175506361 1051640677 /nfs/dbraw/zinc/64/06/77/1051640677.db2.gz WFLMYABRCFHLPI-UHFFFAOYSA-N 1 3 347.506 4.484 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000157653768 1051661523 /nfs/dbraw/zinc/66/15/23/1051661523.db2.gz NYURUBODSGXAKA-STXHMFSFSA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000157653768 1051661532 /nfs/dbraw/zinc/66/15/32/1051661532.db2.gz NYURUBODSGXAKA-STXHMFSFSA-N 1 3 344.524 4.242 20 0 EIADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001182783854 1051710609 /nfs/dbraw/zinc/71/06/09/1051710609.db2.gz YNGAHHOHLUMWKK-SFTDATJTSA-N 1 3 329.532 4.242 20 0 EIADHO CCN1CCN(c2ccc(Nc3cc[nH+]c(C4CCC4)c3)cc2)CC1 ZINC001175782683 1051783205 /nfs/dbraw/zinc/78/32/05/1051783205.db2.gz USSUCMCKWUIVIF-UHFFFAOYSA-N 1 3 336.483 4.235 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](NC/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414913735 1051982855 /nfs/dbraw/zinc/98/28/55/1051982855.db2.gz JPUQDRZYYVKOQO-HEPPIXLFSA-N 1 3 336.479 4.138 20 0 EIADHO Cc1cccc2c(CC[NH2+]C3CCN(C4CCCCC4)CC3)c[nH]c21 ZINC000164400873 1052028816 /nfs/dbraw/zinc/02/88/16/1052028816.db2.gz SNZJFMWNOYTKGT-UHFFFAOYSA-N 1 3 339.527 4.406 20 0 EIADHO COc1cc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C ZINC000580514612 1052072832 /nfs/dbraw/zinc/07/28/32/1052072832.db2.gz YLPRAZMBMRAQEM-SFHVURJKSA-N 1 3 338.495 4.319 20 0 EIADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001194505162 1052161885 /nfs/dbraw/zinc/16/18/85/1052161885.db2.gz LPCUOZOSZNNFBC-GOSISDBHSA-N 1 3 340.433 4.056 20 0 EIADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1ccc(C(F)(F)F)cc1)C2 ZINC001194505162 1052161891 /nfs/dbraw/zinc/16/18/91/1052161891.db2.gz LPCUOZOSZNNFBC-GOSISDBHSA-N 1 3 340.433 4.056 20 0 EIADHO C[N@@H+]1CCC[C@]2(CCN(CCCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC001194641023 1052183168 /nfs/dbraw/zinc/18/31/68/1052183168.db2.gz LEEWUXXFUFXLRO-QFIPXVFZSA-N 1 3 344.543 4.171 20 0 EIADHO C[N@H+]1CCC[C@]2(CCN(CCCOc3cccc(C(C)(C)C)c3)C2)C1 ZINC001194641023 1052183172 /nfs/dbraw/zinc/18/31/72/1052183172.db2.gz LEEWUXXFUFXLRO-QFIPXVFZSA-N 1 3 344.543 4.171 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339068804 1052551690 /nfs/dbraw/zinc/55/16/90/1052551690.db2.gz QJXPYHUQLBFOPO-SBHAEUEKSA-N 1 3 330.516 4.008 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000177836368 1052691864 /nfs/dbraw/zinc/69/18/64/1052691864.db2.gz MDUOHUVGOKYRQE-CVEARBPZSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)C[NH+]1CCC(N[C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000177836368 1052691866 /nfs/dbraw/zinc/69/18/66/1052691866.db2.gz MDUOHUVGOKYRQE-CVEARBPZSA-N 1 3 345.556 4.498 20 0 EIADHO C[C@H](NCc1ccc(Cl)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177860653 1052692895 /nfs/dbraw/zinc/69/28/95/1052692895.db2.gz XCIOSVLSBNLMNX-ZDUSSCGKSA-N 1 3 338.904 4.193 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ncc(Br)s1 ZINC000179188281 1052725688 /nfs/dbraw/zinc/72/56/88/1052725688.db2.gz ZFPKRJWWROMTIG-VXGBXAGGSA-N 1 3 348.354 4.067 20 0 EIADHO Cc1csc([C@H](C)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000623880876 1052830158 /nfs/dbraw/zinc/83/01/58/1052830158.db2.gz WWOOBUNKQQCVMJ-AWEZNQCLSA-N 1 3 335.542 4.076 20 0 EIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623989946 1052851428 /nfs/dbraw/zinc/85/14/28/1052851428.db2.gz NGUQOCCOLRWRJV-GOSISDBHSA-N 1 3 340.515 4.004 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000624121277 1052867518 /nfs/dbraw/zinc/86/75/18/1052867518.db2.gz SCYUWCGFGVJXEN-HRCADAONSA-N 1 3 331.529 4.110 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862483 1053106726 /nfs/dbraw/zinc/10/67/26/1053106726.db2.gz JAUMRKJKSPTQCJ-QFBILLFUSA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862483 1053106740 /nfs/dbraw/zinc/10/67/40/1053106740.db2.gz JAUMRKJKSPTQCJ-QFBILLFUSA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000381862483 1053106754 /nfs/dbraw/zinc/10/67/54/1053106754.db2.gz JAUMRKJKSPTQCJ-QFBILLFUSA-N 1 3 328.525 4.365 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000775628273 1053222569 /nfs/dbraw/zinc/22/25/69/1053222569.db2.gz QSTOMFVCZAVHFI-ICSRJNTNSA-N 1 3 347.506 4.383 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000383360166 1053329989 /nfs/dbraw/zinc/32/99/89/1053329989.db2.gz SHQAORAQKSFPSW-NVXWUHKLSA-N 1 3 330.422 4.138 20 0 EIADHO c1ccc(CC2CC[NH+](CCCN3CCC34CCCC4)CC2)cc1 ZINC001195843944 1053503771 /nfs/dbraw/zinc/50/37/71/1053503771.db2.gz WOVDNVLCJJNLMF-UHFFFAOYSA-N 1 3 326.528 4.350 20 0 EIADHO c1cc2ccc(CNC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000386050268 1053574764 /nfs/dbraw/zinc/57/47/64/1053574764.db2.gz BUGQAOJMHWNZCK-FQEVSTJZSA-N 1 3 333.479 4.170 20 0 EIADHO c1cc2ccc(CNC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000386050268 1053574776 /nfs/dbraw/zinc/57/47/76/1053574776.db2.gz BUGQAOJMHWNZCK-FQEVSTJZSA-N 1 3 333.479 4.170 20 0 EIADHO Clc1nc2ccccc2cc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852754085 1053611067 /nfs/dbraw/zinc/61/10/67/1053611067.db2.gz ONSJDEYCIBUDEF-KRWDZBQOSA-N 1 3 343.902 4.100 20 0 EIADHO Fc1ccc([C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283345 1053664548 /nfs/dbraw/zinc/66/45/48/1053664548.db2.gz BIJOXOQOUJZNKH-AVRDEDQJSA-N 1 3 338.470 4.389 20 0 EIADHO Fc1ccc([C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283345 1053664559 /nfs/dbraw/zinc/66/45/59/1053664559.db2.gz BIJOXOQOUJZNKH-AVRDEDQJSA-N 1 3 338.470 4.389 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000121110005 1053766740 /nfs/dbraw/zinc/76/67/40/1053766740.db2.gz HHLRBCFUCMNSMK-LPHOPBHVSA-N 1 3 348.531 4.145 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000121109671 1053767493 /nfs/dbraw/zinc/76/74/93/1053767493.db2.gz HHLRBCFUCMNSMK-QFBILLFUSA-N 1 3 348.531 4.145 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515146 1053853799 /nfs/dbraw/zinc/85/37/99/1053853799.db2.gz AYHXBRLUSRFHAI-LAUBAEHRSA-N 1 3 326.459 4.041 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515146 1053853806 /nfs/dbraw/zinc/85/38/06/1053853806.db2.gz AYHXBRLUSRFHAI-LAUBAEHRSA-N 1 3 326.459 4.041 20 0 EIADHO COc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC001199376636 1054400721 /nfs/dbraw/zinc/40/07/21/1054400721.db2.gz MZDYBGJLAIYNKA-UHFFFAOYSA-N 1 3 338.495 4.066 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(SC(F)F)cc1 ZINC000858490898 1054498455 /nfs/dbraw/zinc/49/84/55/1054498455.db2.gz RUNKDZPYWUVZSI-ZIAGYGMSSA-N 1 3 328.472 4.384 20 0 EIADHO C[C@H]([NH2+]C/C=C\c1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001201705274 1054882827 /nfs/dbraw/zinc/88/28/27/1054882827.db2.gz XGJFNCNFSCXVHX-SHRNERHNSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H](CC[NH2+]Cc1cc2nc(Cl)ccc2s1)N1CCCCC1 ZINC001201962953 1054968089 /nfs/dbraw/zinc/96/80/89/1054968089.db2.gz KHDJKCPFZKYODU-CYBMUJFWSA-N 1 3 337.920 4.304 20 0 EIADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000475220694 1056296444 /nfs/dbraw/zinc/29/64/44/1056296444.db2.gz QJDCZERQKXQGRN-QQFBHYJXSA-N 1 3 334.470 4.455 20 0 EIADHO Cc1n[nH]cc1[C@H](C)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000180072791 1058344385 /nfs/dbraw/zinc/34/43/85/1058344385.db2.gz KWEMRMGXQSVATM-INIZCTEOSA-N 1 3 348.494 4.298 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000388244821 1060277782 /nfs/dbraw/zinc/27/77/82/1060277782.db2.gz FRQWUVJKBABADU-OAQYLSRUSA-N 1 3 345.490 4.237 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000388244821 1060277819 /nfs/dbraw/zinc/27/78/19/1060277819.db2.gz FRQWUVJKBABADU-OAQYLSRUSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000388982827 1060283245 /nfs/dbraw/zinc/28/32/45/1060283245.db2.gz RCJPPVGROIXVEJ-JPYJTQIMSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2cnccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388982827 1060283275 /nfs/dbraw/zinc/28/32/75/1060283275.db2.gz RCJPPVGROIXVEJ-JPYJTQIMSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2cnccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388982827 1060283299 /nfs/dbraw/zinc/28/32/99/1060283299.db2.gz RCJPPVGROIXVEJ-JPYJTQIMSA-N 1 3 345.490 4.235 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)C2 ZINC001169091391 1060643642 /nfs/dbraw/zinc/64/36/42/1060643642.db2.gz QBYJQMRCNWLOOS-ZSOGYDGISA-N 1 3 330.419 4.013 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3nc(-c4ccccc4)oc3c1)C2 ZINC001169118103 1060646478 /nfs/dbraw/zinc/64/64/78/1060646478.db2.gz DQJOGEGAMXSKRF-LDLYASANSA-N 1 3 347.462 4.210 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Br)s1 ZINC000038003494 202081213 /nfs/dbraw/zinc/08/12/13/202081213.db2.gz QZHJLTCTJVYFRI-LLVKDONJSA-N 1 3 345.350 4.424 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529575082 1032456136 /nfs/dbraw/zinc/45/61/36/1032456136.db2.gz PTTVBMCICXBFGK-AEFFLSMTSA-N 1 3 336.470 4.312 20 0 EIADHO C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529565054 1032458410 /nfs/dbraw/zinc/45/84/10/1032458410.db2.gz DBTZLGYNZXFUNZ-UHFFFAOYSA-N 1 3 333.479 4.264 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000121298637 1032625148 /nfs/dbraw/zinc/62/51/48/1032625148.db2.gz ADSMFFUVCAJAEV-DBVUQKKJSA-N 1 3 336.495 4.003 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000121298637 1032625159 /nfs/dbraw/zinc/62/51/59/1032625159.db2.gz ADSMFFUVCAJAEV-DBVUQKKJSA-N 1 3 336.495 4.003 20 0 EIADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1F ZINC000643546707 1018896851 /nfs/dbraw/zinc/89/68/51/1018896851.db2.gz TUEZKMLWPLHCBB-LNLFQRSKSA-N 1 3 346.490 4.125 20 0 EIADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548979 1018933178 /nfs/dbraw/zinc/93/31/78/1018933178.db2.gz YMLFKCHVMASXPX-PBHICJAKSA-N 1 3 340.433 4.291 20 0 EIADHO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000549032162 1022160308 /nfs/dbraw/zinc/16/03/08/1022160308.db2.gz LNPKMDUPMZZCSE-ZBFHGGJFSA-N 1 3 328.422 4.075 20 0 EIADHO CCCCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000580637148 1022333035 /nfs/dbraw/zinc/33/30/35/1022333035.db2.gz VTGTXIGXFLRKPC-YOFSQIOKSA-N 1 3 330.516 4.313 20 0 EIADHO CCCCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000580637148 1022333064 /nfs/dbraw/zinc/33/30/64/1022333064.db2.gz VTGTXIGXFLRKPC-YOFSQIOKSA-N 1 3 330.516 4.313 20 0 EIADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000564435585 1022395301 /nfs/dbraw/zinc/39/53/01/1022395301.db2.gz JMNJOAOUXSCSLL-CABCVRRESA-N 1 3 328.422 4.130 20 0 EIADHO Cc1nc([C@@H](C)NCC2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000378206378 1022516883 /nfs/dbraw/zinc/51/68/83/1022516883.db2.gz YZNMDDBVWMBZDD-MRXNPFEDSA-N 1 3 343.540 4.057 20 0 EIADHO c1sc(-c2ccccc2)nc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543412 1022794585 /nfs/dbraw/zinc/79/45/85/1022794585.db2.gz MXXAHMSQWSYYQT-ZWKOTPCHSA-N 1 3 341.524 4.022 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)cs1 ZINC000581326326 1023023535 /nfs/dbraw/zinc/02/35/35/1023023535.db2.gz TWKUHOPVVGUNGE-QWFCFKBJSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)cs1 ZINC000581326326 1023023550 /nfs/dbraw/zinc/02/35/50/1023023550.db2.gz TWKUHOPVVGUNGE-QWFCFKBJSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cc2)cs1 ZINC000581326326 1023023562 /nfs/dbraw/zinc/02/35/62/1023023562.db2.gz TWKUHOPVVGUNGE-QWFCFKBJSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1ccccc1SC[C@H](C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001167457588 1023099689 /nfs/dbraw/zinc/09/96/89/1023099689.db2.gz FXWIEXUNKHSYHR-MJGOQNOKSA-N 1 3 332.557 4.141 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347038 1023274486 /nfs/dbraw/zinc/27/44/86/1023274486.db2.gz VOFFRVCFZYDUPB-AFQPOQBFSA-N 1 3 332.557 4.483 20 0 EIADHO COc1ccc([C@@H](NCC2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415095227 1023440516 /nfs/dbraw/zinc/44/05/16/1023440516.db2.gz YYTZWIRAPHQSKL-HXUWFJFHSA-N 1 3 344.886 4.027 20 0 EIADHO Cc1nc(-c2ccc([C@H](C)[NH2+]CC[C@@H]3CCCN3C)cc2)cs1 ZINC000341588623 1023895626 /nfs/dbraw/zinc/89/56/26/1023895626.db2.gz BXJBIMBPUBSSLY-KSSFIOAISA-N 1 3 329.513 4.253 20 0 EIADHO COc1c(C)cc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1Cl ZINC000796684179 1024007548 /nfs/dbraw/zinc/00/75/48/1024007548.db2.gz PVGJTQZBALUYER-OAHLLOKOSA-N 1 3 338.923 4.428 20 0 EIADHO C[NH2+]CC1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000430923619 1024229373 /nfs/dbraw/zinc/22/93/73/1024229373.db2.gz FHEMHXKWXHKGAJ-UHFFFAOYSA-N 1 3 346.421 4.189 20 0 EIADHO O=C1CCCC12CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000661961650 1024781275 /nfs/dbraw/zinc/78/12/75/1024781275.db2.gz OQYAHABNPZHORP-UHFFFAOYSA-N 1 3 340.511 4.008 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000092381130 1024799517 /nfs/dbraw/zinc/79/95/17/1024799517.db2.gz CYMSLEPYBZWFCY-UHFFFAOYSA-N 1 3 335.542 4.035 20 0 EIADHO CC(C)Oc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123681629 1025329927 /nfs/dbraw/zinc/32/99/27/1025329927.db2.gz UNQUCVRONAYIRS-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467335 1025397151 /nfs/dbraw/zinc/39/71/51/1025397151.db2.gz DWCAFYHQDXYNPX-WMZOPIPTSA-N 1 3 332.557 4.051 20 0 EIADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000643458559 1025555854 /nfs/dbraw/zinc/55/58/54/1025555854.db2.gz DJLKVDJHTPWSFU-WGBDABJCSA-N 1 3 346.359 4.003 20 0 EIADHO Fc1c(Cl)cccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167978529 1026346300 /nfs/dbraw/zinc/34/63/00/1026346300.db2.gz OKXAADOLDMUNIS-ALOPSCKCSA-N 1 3 336.882 4.017 20 0 EIADHO Fc1c(Cl)cccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978529 1026346311 /nfs/dbraw/zinc/34/63/11/1026346311.db2.gz OKXAADOLDMUNIS-ALOPSCKCSA-N 1 3 336.882 4.017 20 0 EIADHO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000507447448 1026796758 /nfs/dbraw/zinc/79/67/58/1026796758.db2.gz HUIWZBCSJJATQT-WFXMLNOXSA-N 1 3 337.511 4.205 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000474483090 1027120144 /nfs/dbraw/zinc/12/01/44/1027120144.db2.gz SBSIELAPTJGYQV-IAGOWNOFSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000474483090 1027120160 /nfs/dbraw/zinc/12/01/60/1027120160.db2.gz SBSIELAPTJGYQV-IAGOWNOFSA-N 1 3 345.556 4.500 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166278200 1027251205 /nfs/dbraw/zinc/25/12/05/1027251205.db2.gz PSHBKXVINBBEIP-VQTJNVASSA-N 1 3 340.536 4.289 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166278200 1027251229 /nfs/dbraw/zinc/25/12/29/1027251229.db2.gz PSHBKXVINBBEIP-VQTJNVASSA-N 1 3 340.536 4.289 20 0 EIADHO c1ccc2c(c1)cccc2C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611672 1027283158 /nfs/dbraw/zinc/28/31/58/1027283158.db2.gz CBCCVEDOJSYCFM-UHFFFAOYSA-N 1 3 345.490 4.237 20 0 EIADHO CCCc1nc(C)c(CN2CCC(CCC[NH+](CC)CC)CC2)o1 ZINC000428361353 1027661966 /nfs/dbraw/zinc/66/19/66/1027661966.db2.gz MGWMMDDTTFXQGC-UHFFFAOYSA-N 1 3 335.536 4.270 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648120 1027843478 /nfs/dbraw/zinc/84/34/78/1027843478.db2.gz RIYKVYBVUJUIQP-QUCCMNQESA-N 1 3 326.509 4.331 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648120 1027843481 /nfs/dbraw/zinc/84/34/81/1027843481.db2.gz RIYKVYBVUJUIQP-QUCCMNQESA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648120 1027843484 /nfs/dbraw/zinc/84/34/84/1027843484.db2.gz RIYKVYBVUJUIQP-QUCCMNQESA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@@H]21 ZINC001167648120 1027843491 /nfs/dbraw/zinc/84/34/91/1027843491.db2.gz RIYKVYBVUJUIQP-QUCCMNQESA-N 1 3 326.509 4.331 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000280995070 1028314298 /nfs/dbraw/zinc/31/42/98/1028314298.db2.gz XETVQZPTLZQUOZ-OFNKIYASSA-N 1 3 349.522 4.077 20 0 EIADHO CCN(CC)CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001167663680 1028388048 /nfs/dbraw/zinc/38/80/48/1028388048.db2.gz IZRPEONMCDBPHO-RTWAWAEBSA-N 1 3 332.532 4.087 20 0 EIADHO CCN(CC)CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001167663680 1028388068 /nfs/dbraw/zinc/38/80/68/1028388068.db2.gz IZRPEONMCDBPHO-RTWAWAEBSA-N 1 3 332.532 4.087 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001167663680 1028388081 /nfs/dbraw/zinc/38/80/81/1028388081.db2.gz IZRPEONMCDBPHO-RTWAWAEBSA-N 1 3 332.532 4.087 20 0 EIADHO CCN(CC)CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001167663681 1028389498 /nfs/dbraw/zinc/38/94/98/1028389498.db2.gz IZRPEONMCDBPHO-SFTDATJTSA-N 1 3 332.532 4.087 20 0 EIADHO CCN(CC)CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001167663681 1028389517 /nfs/dbraw/zinc/38/95/17/1028389517.db2.gz IZRPEONMCDBPHO-SFTDATJTSA-N 1 3 332.532 4.087 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001167663681 1028389535 /nfs/dbraw/zinc/38/95/35/1028389535.db2.gz IZRPEONMCDBPHO-SFTDATJTSA-N 1 3 332.532 4.087 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991942 1028711595 /nfs/dbraw/zinc/71/15/95/1028711595.db2.gz XJEAHAHGWWJEEX-BETUJISGSA-N 1 3 349.466 4.010 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991942 1028711617 /nfs/dbraw/zinc/71/16/17/1028711617.db2.gz XJEAHAHGWWJEEX-BETUJISGSA-N 1 3 349.466 4.010 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000281644675 1028821805 /nfs/dbraw/zinc/82/18/05/1028821805.db2.gz PEJBTUTTXLYPJY-YHUYYLMFSA-N 1 3 339.310 4.456 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1Cl ZINC000281644675 1028821808 /nfs/dbraw/zinc/82/18/08/1028821808.db2.gz PEJBTUTTXLYPJY-YHUYYLMFSA-N 1 3 339.310 4.456 20 0 EIADHO [NH3+]Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)c(F)c1 ZINC000650754227 1029172171 /nfs/dbraw/zinc/17/21/71/1029172171.db2.gz DJTJQVOYCDDFLK-HXUWFJFHSA-N 1 3 330.422 4.445 20 0 EIADHO Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000168503190 1029485737 /nfs/dbraw/zinc/48/57/37/1029485737.db2.gz RCRJDIVGLIYOLL-IAGOWNOFSA-N 1 3 344.474 4.486 20 0 EIADHO CCCN1CCC([NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000525180952 1029499244 /nfs/dbraw/zinc/49/92/44/1029499244.db2.gz PIONWNUCBXCBGL-UHFFFAOYSA-N 1 3 338.495 4.326 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)F ZINC000647319347 1029521783 /nfs/dbraw/zinc/52/17/83/1029521783.db2.gz WVDMGSMTBDSFAC-GDAAHCPNSA-N 1 3 336.470 4.168 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)OCc1ccccc1 ZINC000475313366 1029525728 /nfs/dbraw/zinc/52/57/28/1029525728.db2.gz PDYWFZLWAWGFBN-DYXWJJEUSA-N 1 3 344.543 4.224 20 0 EIADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cccnc1Cl ZINC000090775351 1029869658 /nfs/dbraw/zinc/86/96/58/1029869658.db2.gz NGPSEJAPHDRHSE-KLAILNCOSA-N 1 3 335.923 4.429 20 0 EIADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(Oc4ccccc4)o3)C2)CC1 ZINC000685462860 1030343449 /nfs/dbraw/zinc/34/34/49/1030343449.db2.gz VFXUMRJATBYWMD-GOSISDBHSA-N 1 3 340.467 4.236 20 0 EIADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708566638 1030384579 /nfs/dbraw/zinc/38/45/79/1030384579.db2.gz RHWMYNHBYYZAGA-DBXWQHBBSA-N 1 3 340.486 4.114 20 0 EIADHO C[C@H](NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(CO)c1 ZINC000121856865 1030461577 /nfs/dbraw/zinc/46/15/77/1030461577.db2.gz GHVJHCXJVAJRRL-ROUUACIJSA-N 1 3 338.495 4.055 20 0 EIADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657932147 1030637219 /nfs/dbraw/zinc/63/72/19/1030637219.db2.gz UQPQMHBWDDNADY-CVEARBPZSA-N 1 3 331.529 4.315 20 0 EIADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657932147 1030637227 /nfs/dbraw/zinc/63/72/27/1030637227.db2.gz UQPQMHBWDDNADY-CVEARBPZSA-N 1 3 331.529 4.315 20 0 EIADHO C[C@H]([NH2+]CCCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000527354936 1030661728 /nfs/dbraw/zinc/66/17/28/1030661728.db2.gz OAFPUEYSCGKFCQ-RBUKOAKNSA-N 1 3 330.516 4.088 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657999293 1030767588 /nfs/dbraw/zinc/76/75/88/1030767588.db2.gz TXCYQKJMBFALSV-NVXWUHKLSA-N 1 3 345.437 4.192 20 0 EIADHO C[C@@H]1[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000658164475 1030860971 /nfs/dbraw/zinc/86/09/71/1030860971.db2.gz DKGAFRGGTXBZIQ-TZYHBYERSA-N 1 3 349.522 4.075 20 0 EIADHO Cc1ccsc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164786 1030861043 /nfs/dbraw/zinc/86/10/43/1030861043.db2.gz FLTIBAHKVITGRB-MRXNPFEDSA-N 1 3 329.513 4.014 20 0 EIADHO Cc1ccccc1C1CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658166845 1030861960 /nfs/dbraw/zinc/86/19/60/1030861960.db2.gz QBFAKALMCLUMCQ-UHFFFAOYSA-N 1 3 349.522 4.138 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000658166905 1030863139 /nfs/dbraw/zinc/86/31/39/1030863139.db2.gz WCFZTIYSXBLIOX-LJQANCHMSA-N 1 3 329.513 4.096 20 0 EIADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)[C@H](C)C2 ZINC000658168495 1030866001 /nfs/dbraw/zinc/86/60/01/1030866001.db2.gz XNBGJWUZTURZRU-JPYJTQIMSA-N 1 3 349.522 4.125 20 0 EIADHO C[NH+]1CCC(CN2CC[C@@H](c3cccc(Cl)c3Cl)C2)CC1 ZINC001207399062 1031055105 /nfs/dbraw/zinc/05/51/05/1031055105.db2.gz XMBDHENVRNCGAS-CQSZACIVSA-N 1 3 327.299 4.125 20 0 EIADHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCc2ccccc21 ZINC000532446487 1031082910 /nfs/dbraw/zinc/08/29/10/1031082910.db2.gz CMWPFEJCCNHKJL-NRFANRHFSA-N 1 3 338.495 4.184 20 0 EIADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(CO)c1 ZINC000305665113 1031213951 /nfs/dbraw/zinc/21/39/51/1031213951.db2.gz TZOQSYYUZNMIRA-GOSISDBHSA-N 1 3 338.495 4.016 20 0 EIADHO CC(C)[C@@H](O)C1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453172014 1031680952 /nfs/dbraw/zinc/68/09/52/1031680952.db2.gz GAAZVVRKCUTCQO-GOSISDBHSA-N 1 3 338.580 4.052 20 0 EIADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234215 1031757242 /nfs/dbraw/zinc/75/72/42/1031757242.db2.gz ZQBOSQKDUWOVQR-LEWJYISDSA-N 1 3 337.511 4.423 20 0 EIADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234215 1031757258 /nfs/dbraw/zinc/75/72/58/1031757258.db2.gz ZQBOSQKDUWOVQR-LEWJYISDSA-N 1 3 337.511 4.423 20 0 EIADHO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000178634845 1033361024 /nfs/dbraw/zinc/36/10/24/1033361024.db2.gz CQONWVJOVPAQLN-INIZCTEOSA-N 1 3 343.902 4.298 20 0 EIADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512653431 1033619401 /nfs/dbraw/zinc/61/94/01/1033619401.db2.gz FHIFODHMDTVILA-KZNAEPCWSA-N 1 3 340.433 4.219 20 0 EIADHO CC1CC[NH+](C[C@@H]2CCCN(CC3CCC(F)(F)CC3)C2)CC1 ZINC001307440786 1033780495 /nfs/dbraw/zinc/78/04/95/1033780495.db2.gz SUVIIVWKPJMILI-SFHVURJKSA-N 1 3 328.491 4.256 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000333272943 1034575135 /nfs/dbraw/zinc/57/51/35/1034575135.db2.gz KUXZVRLSFPOMMK-OAGGEKHMSA-N 1 3 345.487 4.186 20 0 EIADHO Cc1cc([C@H](C)NCc2ccc(C[NH3+])cc2)sc1Br ZINC000576465963 1034619359 /nfs/dbraw/zinc/61/93/59/1034619359.db2.gz PKKICDYUQDVISQ-NSHDSACASA-N 1 3 339.302 4.129 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000575200896 1035721895 /nfs/dbraw/zinc/72/18/95/1035721895.db2.gz NNZCQPBRGJCWMR-SPEDKVCISA-N 1 3 344.543 4.352 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000575200896 1035721915 /nfs/dbraw/zinc/72/19/15/1035721915.db2.gz NNZCQPBRGJCWMR-SPEDKVCISA-N 1 3 344.543 4.352 20 0 EIADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CC3 ZINC000491043097 1035793335 /nfs/dbraw/zinc/79/33/35/1035793335.db2.gz YZIYFYSDOWEDAL-MSOLQXFVSA-N 1 3 339.527 4.044 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090592 1035939113 /nfs/dbraw/zinc/93/91/13/1035939113.db2.gz GHUSSRTXJLVXLT-KBXCAEBGSA-N 1 3 332.488 4.326 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090592 1035939138 /nfs/dbraw/zinc/93/91/38/1035939138.db2.gz GHUSSRTXJLVXLT-KBXCAEBGSA-N 1 3 332.488 4.326 20 0 EIADHO c1nc2cc(CNCc3ccccc3C[NH+]3CCCCCC3)ccc2[nH]1 ZINC000602908853 1036660756 /nfs/dbraw/zinc/66/07/56/1036660756.db2.gz CBWZQVRUDQTGNU-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO c1nc2ccc(CNCc3ccccc3C[NH+]3CCCCCC3)cc2[nH]1 ZINC000602908853 1036660771 /nfs/dbraw/zinc/66/07/71/1036660771.db2.gz CBWZQVRUDQTGNU-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO C[C@H](NC/C=C\c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486472922 1036722851 /nfs/dbraw/zinc/72/28/51/1036722851.db2.gz DPKARZYRVMHYLF-KWBXCNMKSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H](NC/C=C\c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486472922 1036722883 /nfs/dbraw/zinc/72/28/83/1036722883.db2.gz DPKARZYRVMHYLF-KWBXCNMKSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486472922 1036722908 /nfs/dbraw/zinc/72/29/08/1036722908.db2.gz DPKARZYRVMHYLF-KWBXCNMKSA-N 1 3 338.470 4.339 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000486699032 1036820704 /nfs/dbraw/zinc/82/07/04/1036820704.db2.gz WCOUPBKLLJCZBZ-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000486699032 1036820705 /nfs/dbraw/zinc/82/07/05/1036820705.db2.gz WCOUPBKLLJCZBZ-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000486935521 1036907145 /nfs/dbraw/zinc/90/71/45/1036907145.db2.gz JKOJRLHJEKUGPQ-BQHGXPCASA-N 1 3 335.495 4.117 20 0 EIADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000486935521 1036907176 /nfs/dbraw/zinc/90/71/76/1036907176.db2.gz JKOJRLHJEKUGPQ-BQHGXPCASA-N 1 3 335.495 4.117 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272265920 1037148356 /nfs/dbraw/zinc/14/83/56/1037148356.db2.gz AKVPTBQQKHUFBX-FRQCXROJSA-N 1 3 343.902 4.296 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418428 1037572066 /nfs/dbraw/zinc/57/20/66/1037572066.db2.gz XMICPRCWBUUDIR-ZYSHUDEJSA-N 1 3 332.557 4.484 20 0 EIADHO c1ccc2cc(OCCN3CCC(C[NH+]4CCCC4)CC3)ccc2c1 ZINC000488423749 1037576413 /nfs/dbraw/zinc/57/64/13/1037576413.db2.gz YHJNOBZNWBMWON-UHFFFAOYSA-N 1 3 338.495 4.026 20 0 EIADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000573596136 1037596215 /nfs/dbraw/zinc/59/62/15/1037596215.db2.gz CXUZOHUXCCXLCQ-XBNGYDHASA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000573596136 1037596220 /nfs/dbraw/zinc/59/62/20/1037596220.db2.gz CXUZOHUXCCXLCQ-XBNGYDHASA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000573596136 1037596233 /nfs/dbraw/zinc/59/62/33/1037596233.db2.gz CXUZOHUXCCXLCQ-XBNGYDHASA-N 1 3 340.433 4.430 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422734212 1037809471 /nfs/dbraw/zinc/80/94/71/1037809471.db2.gz SJCJTKZTEVKKAC-CYBMUJFWSA-N 1 3 331.891 4.131 20 0 EIADHO CCc1ccc([C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422759574 1037820950 /nfs/dbraw/zinc/82/09/50/1037820950.db2.gz FPXNKDCIYIGWQN-IIBYNOLFSA-N 1 3 325.500 4.459 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000422773959 1037830802 /nfs/dbraw/zinc/83/08/02/1037830802.db2.gz ZLXBJHIPXYZSQE-MBSDFSHPSA-N 1 3 345.490 4.483 20 0 EIADHO C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCCCC1)C1C[NH2+]C1 ZINC000422778716 1037833297 /nfs/dbraw/zinc/83/32/97/1037833297.db2.gz DWNVKWFCUGZZDD-AWEZNQCLSA-N 1 3 340.433 4.105 20 0 EIADHO Cc1cc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000422808552 1037838213 /nfs/dbraw/zinc/83/82/13/1037838213.db2.gz OJLLKCGUGLPRQZ-QMIHWGKISA-N 1 3 342.508 4.271 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000422789894 1037839398 /nfs/dbraw/zinc/83/93/98/1037839398.db2.gz XCZAVJYORMPLGE-VXGBXAGGSA-N 1 3 348.288 4.023 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000422789888 1037840675 /nfs/dbraw/zinc/84/06/75/1037840675.db2.gz XCZAVJYORMPLGE-NWDGAFQWSA-N 1 3 348.288 4.023 20 0 EIADHO Cc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000422792021 1037840693 /nfs/dbraw/zinc/84/06/93/1037840693.db2.gz ZABIKJFVKNZBET-RBDMOPTHSA-N 1 3 336.479 4.210 20 0 EIADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422868786 1037855765 /nfs/dbraw/zinc/85/57/65/1037855765.db2.gz WAUGUVVCDYFZMO-VNTMZGSJSA-N 1 3 349.588 4.031 20 0 EIADHO c1sc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422914467 1037868638 /nfs/dbraw/zinc/86/86/38/1037868638.db2.gz UHXUVEMTMONYPW-KURKYZTESA-N 1 3 347.572 4.244 20 0 EIADHO CC[C@@H](CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414706130 1037887983 /nfs/dbraw/zinc/88/79/83/1037887983.db2.gz AABSGHUCWCBEAR-UGKGYDQZSA-N 1 3 337.511 4.220 20 0 EIADHO CCC(C)(C)c1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423001885 1037897362 /nfs/dbraw/zinc/89/73/62/1037897362.db2.gz ITSWDRABASBDKH-HNNXBMFYSA-N 1 3 325.500 4.387 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(C(C)C)cc1 ZINC000423023355 1037906098 /nfs/dbraw/zinc/90/60/98/1037906098.db2.gz JQFXIDNPUIWJBM-HZPDHXFCSA-N 1 3 325.500 4.254 20 0 EIADHO CC(C)c1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423050403 1037912416 /nfs/dbraw/zinc/91/24/16/1037912416.db2.gz LDUURPAKVMHHGF-RBBKRZOGSA-N 1 3 336.479 4.156 20 0 EIADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423041195 1037918573 /nfs/dbraw/zinc/91/85/73/1037918573.db2.gz WJSURXSWENLTEE-KPLVRAHFSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1cccc(C)c1[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423041194 1037921162 /nfs/dbraw/zinc/92/11/62/1037921162.db2.gz WJSURXSWENLTEE-JLMWRMLUSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000423041300 1037921756 /nfs/dbraw/zinc/92/17/56/1037921756.db2.gz IQKMGNLQVHBJLD-QGZVFWFLSA-N 1 3 337.511 4.302 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423050781 1037938937 /nfs/dbraw/zinc/93/89/37/1037938937.db2.gz MAUOOPCMMYSTRD-WMZOPIPTSA-N 1 3 337.511 4.400 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)C(C)C ZINC000423076651 1037940256 /nfs/dbraw/zinc/94/02/56/1037940256.db2.gz ZPWIFXYKNHDVQF-APWZRJJASA-N 1 3 325.500 4.014 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423097014 1037959197 /nfs/dbraw/zinc/95/91/97/1037959197.db2.gz QJNHEDXUPGNJPC-LJSZUPLFSA-N 1 3 347.865 4.180 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423152418 1038002677 /nfs/dbraw/zinc/00/26/77/1038002677.db2.gz DZJKQPQIASUSLD-BLVKFPJESA-N 1 3 347.865 4.443 20 0 EIADHO Fc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423248553 1038079430 /nfs/dbraw/zinc/07/94/30/1038079430.db2.gz NIDLYUCAVUZDIU-LIRRHRJNSA-N 1 3 332.850 4.158 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000423288930 1038092916 /nfs/dbraw/zinc/09/29/16/1038092916.db2.gz AAUDJRCGKOJMEP-FZKQIMNGSA-N 1 3 330.859 4.363 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000423296591 1038121383 /nfs/dbraw/zinc/12/13/83/1038121383.db2.gz ZMBLLRLHJWGMQU-STQMWFEESA-N 1 3 338.373 4.456 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000423296589 1038123457 /nfs/dbraw/zinc/12/34/57/1038123457.db2.gz ZMBLLRLHJWGMQU-OLZOCXBDSA-N 1 3 338.373 4.456 20 0 EIADHO Fc1ccc([C@@H](NCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423344572 1038135136 /nfs/dbraw/zinc/13/51/36/1038135136.db2.gz NCSDUDJWJRYNGV-IBGZPJMESA-N 1 3 330.834 4.078 20 0 EIADHO COc1ccccc1[C@H](NCc1ccc2c(c1)C[NH2+]C2)C1CCCC1 ZINC000423373552 1038156220 /nfs/dbraw/zinc/15/62/20/1038156220.db2.gz HRFYEBNQLPZAQV-JOCHJYFZSA-N 1 3 336.479 4.320 20 0 EIADHO Clc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423363658 1038178609 /nfs/dbraw/zinc/17/86/09/1038178609.db2.gz AEKWDMRWQRSHDF-QGZVFWFLSA-N 1 3 330.884 4.270 20 0 EIADHO C[C@H](CCCc1cccnc1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395191 1038200719 /nfs/dbraw/zinc/20/07/19/1038200719.db2.gz NGESZXGOKITFQF-VGOFRKELSA-N 1 3 333.479 4.236 20 0 EIADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423406514 1038215175 /nfs/dbraw/zinc/21/51/75/1038215175.db2.gz UTIVOXCIPPJCER-VDEYCQILSA-N 1 3 340.433 4.319 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423411316 1038217155 /nfs/dbraw/zinc/21/71/55/1038217155.db2.gz FJGYTBZHSOWLGY-WIYYLYMNSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1cccc2c1CCCN2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423411316 1038217180 /nfs/dbraw/zinc/21/71/80/1038217180.db2.gz FJGYTBZHSOWLGY-WIYYLYMNSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1cccc2c1CCCN2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423411316 1038217203 /nfs/dbraw/zinc/21/72/03/1038217203.db2.gz FJGYTBZHSOWLGY-WIYYLYMNSA-N 1 3 349.522 4.045 20 0 EIADHO COc1ccc([C@H](N[C@@H]2CC[C@@H](C[NH3+])C2)c2ccccc2Cl)cc1 ZINC000423502046 1038257686 /nfs/dbraw/zinc/25/76/86/1038257686.db2.gz JMFRYYKHUKJWOY-KKVAFCGZSA-N 1 3 344.886 4.155 20 0 EIADHO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423494876 1038263847 /nfs/dbraw/zinc/26/38/47/1038263847.db2.gz BEXHCSXIFJWMMN-AOMKIAJQSA-N 1 3 348.494 4.094 20 0 EIADHO c1c2ccccc2oc1[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423491001 1038263883 /nfs/dbraw/zinc/26/38/83/1038263883.db2.gz YLLOWEYSGOLUGW-NQIIRXRSSA-N 1 3 335.451 4.039 20 0 EIADHO COc1ccc(Cl)cc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423514006 1038270955 /nfs/dbraw/zinc/27/09/55/1038270955.db2.gz WCUSJERTUIECRU-KSSFIOAISA-N 1 3 332.875 4.479 20 0 EIADHO C[C@H](CC[NH2+][C@@H](Cc1ccncc1)c1cccs1)N1CCCCC1 ZINC000424279990 1038789771 /nfs/dbraw/zinc/78/97/71/1038789771.db2.gz LDFMJCRJYHBWOY-MJGOQNOKSA-N 1 3 343.540 4.281 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424378989 1038839810 /nfs/dbraw/zinc/83/98/10/1038839810.db2.gz UUGOOVIVNZRSCW-IUIKQTSFSA-N 1 3 333.476 4.178 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201328 1038878791 /nfs/dbraw/zinc/87/87/91/1038878791.db2.gz WTWIIUSWZHCSHY-KSSFIOAISA-N 1 3 340.433 4.478 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201328 1038878793 /nfs/dbraw/zinc/87/87/93/1038878793.db2.gz WTWIIUSWZHCSHY-KSSFIOAISA-N 1 3 340.433 4.478 20 0 EIADHO CC(C)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539214309 1038885440 /nfs/dbraw/zinc/88/54/40/1038885440.db2.gz HOMNIUOWRUXXNS-GOSISDBHSA-N 1 3 345.487 4.083 20 0 EIADHO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OCC ZINC000539269211 1038901426 /nfs/dbraw/zinc/90/14/26/1038901426.db2.gz CAWSSLQGGLLHGU-FUHWJXTLSA-N 1 3 334.504 4.009 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000552043413 1039064583 /nfs/dbraw/zinc/06/45/83/1039064583.db2.gz LVAHWQDGHUGHOR-VMGRFDJRSA-N 1 3 342.405 4.109 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000552043413 1039064609 /nfs/dbraw/zinc/06/46/09/1039064609.db2.gz LVAHWQDGHUGHOR-VMGRFDJRSA-N 1 3 342.405 4.109 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000552045126 1039067734 /nfs/dbraw/zinc/06/77/34/1039067734.db2.gz YVBYIPJEXDEHAD-GOSISDBHSA-N 1 3 332.532 4.037 20 0 EIADHO Cc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000414815874 1039094850 /nfs/dbraw/zinc/09/48/50/1039094850.db2.gz YQFZQYJVIJEGPA-CYBMUJFWSA-N 1 3 333.273 4.067 20 0 EIADHO CCOc1c(Cl)cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414816036 1039099495 /nfs/dbraw/zinc/09/94/95/1039099495.db2.gz YXOTVILUBCFHBI-ZDUSSCGKSA-N 1 3 348.874 4.057 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3c2cccc3OC)c1 ZINC000481295306 1039229190 /nfs/dbraw/zinc/22/91/90/1039229190.db2.gz OHYHUWXAXNYELX-OAQYLSRUSA-N 1 3 338.495 4.314 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000481298673 1039232990 /nfs/dbraw/zinc/23/29/90/1039232990.db2.gz INBDZTSAJOQWME-UWJYYQICSA-N 1 3 344.449 4.180 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000481322924 1039291424 /nfs/dbraw/zinc/29/14/24/1039291424.db2.gz NYEMHFXCEYJGSL-HZSPNIEDSA-N 1 3 345.314 4.081 20 0 EIADHO CCOCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514103473 1039609259 /nfs/dbraw/zinc/60/92/59/1039609259.db2.gz CIONWXYZOWWFHF-YPAWHYETSA-N 1 3 344.543 4.084 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(CC)s2)[C@@H](C)C1 ZINC000122343852 1039656260 /nfs/dbraw/zinc/65/62/60/1039656260.db2.gz VJBVKJMUFCTYPB-JZXOWHBKSA-N 1 3 338.561 4.098 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(CC)s2)[C@@H](C)C1 ZINC000122343852 1039656275 /nfs/dbraw/zinc/65/62/75/1039656275.db2.gz VJBVKJMUFCTYPB-JZXOWHBKSA-N 1 3 338.561 4.098 20 0 EIADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000481669493 1039707287 /nfs/dbraw/zinc/70/72/87/1039707287.db2.gz KDMHJYXILWLHCI-VNQPRFMTSA-N 1 3 328.422 4.099 20 0 EIADHO Cc1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc(C)c1O ZINC000552635020 1039718889 /nfs/dbraw/zinc/71/88/89/1039718889.db2.gz VISIOLFNAYJYBM-UHFFFAOYSA-N 1 3 338.495 4.285 20 0 EIADHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1OC(C)C ZINC000537648873 1039826914 /nfs/dbraw/zinc/82/69/14/1039826914.db2.gz WTJRQQVXZLYPJF-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO C[NH+](C)CC1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000482067491 1039995400 /nfs/dbraw/zinc/99/54/00/1039995400.db2.gz JERXOCZZOLXBKB-UHFFFAOYSA-N 1 3 329.315 4.200 20 0 EIADHO CC(C)=CCC[C@H](C)CCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000482141708 1040049556 /nfs/dbraw/zinc/04/95/56/1040049556.db2.gz KXFSMXPDTQZBGV-FDFHNCONSA-N 1 3 349.607 4.249 20 0 EIADHO CC(C)=CCC[C@H](C)CCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000482141708 1040049566 /nfs/dbraw/zinc/04/95/66/1040049566.db2.gz KXFSMXPDTQZBGV-FDFHNCONSA-N 1 3 349.607 4.249 20 0 EIADHO CC(C)=CCC[C@H](C)CCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000482141707 1040050286 /nfs/dbraw/zinc/05/02/86/1040050286.db2.gz KXFSMXPDTQZBGV-BHDDXSALSA-N 1 3 349.607 4.249 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000482355200 1040196164 /nfs/dbraw/zinc/19/61/64/1040196164.db2.gz FKRXCVUQOCIMEU-LSDHHAIUSA-N 1 3 344.421 4.356 20 0 EIADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482455385 1040265078 /nfs/dbraw/zinc/26/50/78/1040265078.db2.gz YMTMZFLTWBKIGT-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482455385 1040265094 /nfs/dbraw/zinc/26/50/94/1040265094.db2.gz YMTMZFLTWBKIGT-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482455385 1040265107 /nfs/dbraw/zinc/26/51/07/1040265107.db2.gz YMTMZFLTWBKIGT-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482455386 1040265891 /nfs/dbraw/zinc/26/58/91/1040265891.db2.gz YMTMZFLTWBKIGT-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482455386 1040265907 /nfs/dbraw/zinc/26/59/07/1040265907.db2.gz YMTMZFLTWBKIGT-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482455386 1040265927 /nfs/dbraw/zinc/26/59/27/1040265927.db2.gz YMTMZFLTWBKIGT-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO C[C@H](C[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890644 1040328754 /nfs/dbraw/zinc/32/87/54/1040328754.db2.gz KVYNOJCNKJXPKN-UWWQBHOKSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CCC[C@H]2CN(C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890644 1040328770 /nfs/dbraw/zinc/32/87/70/1040328770.db2.gz KVYNOJCNKJXPKN-UWWQBHOKSA-N 1 3 340.433 4.225 20 0 EIADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995161 1040407667 /nfs/dbraw/zinc/40/76/67/1040407667.db2.gz FABOVAMCWQDFGN-JBACZVJFSA-N 1 3 342.527 4.374 20 0 EIADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000924781862 1040542445 /nfs/dbraw/zinc/54/24/45/1040542445.db2.gz KKGQBNAUADSOPB-IRLDBZIGSA-N 1 3 344.543 4.254 20 0 EIADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000924781864 1040547883 /nfs/dbraw/zinc/54/78/83/1040547883.db2.gz KKGQBNAUADSOPB-RBBKRZOGSA-N 1 3 344.543 4.254 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000479876917 1040738980 /nfs/dbraw/zinc/73/89/80/1040738980.db2.gz VJCIZYFQVPBEGG-WFXMLNOXSA-N 1 3 332.532 4.037 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000479876917 1040738992 /nfs/dbraw/zinc/73/89/92/1040738992.db2.gz VJCIZYFQVPBEGG-WFXMLNOXSA-N 1 3 332.532 4.037 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479878153 1040739585 /nfs/dbraw/zinc/73/95/85/1040739585.db2.gz ZMESQPRHZXTOPX-CYBMUJFWSA-N 1 3 349.519 4.496 20 0 EIADHO COc1cc(C)c([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000483186474 1040762774 /nfs/dbraw/zinc/76/27/74/1040762774.db2.gz UWQQKGYNCZKONE-HNAYVOBHSA-N 1 3 336.520 4.029 20 0 EIADHO Cc1cc(NC2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2[nH+]1 ZINC000515501784 1040807537 /nfs/dbraw/zinc/80/75/37/1040807537.db2.gz JUJGGUGLSBVCRQ-UHFFFAOYSA-N 1 3 349.453 4.181 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@H](C)C1 ZINC000539835706 1040829647 /nfs/dbraw/zinc/82/96/47/1040829647.db2.gz PAMZFRRVIUKVTQ-VQIMIIECSA-N 1 3 343.540 4.281 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@H](C)C1 ZINC000539835706 1040829654 /nfs/dbraw/zinc/82/96/54/1040829654.db2.gz PAMZFRRVIUKVTQ-VQIMIIECSA-N 1 3 343.540 4.281 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485345 1040875630 /nfs/dbraw/zinc/87/56/30/1040875630.db2.gz RQPXRQZARCKAHI-TZIWHRDSSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485345 1040875639 /nfs/dbraw/zinc/87/56/39/1040875639.db2.gz RQPXRQZARCKAHI-TZIWHRDSSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485345 1040875642 /nfs/dbraw/zinc/87/56/42/1040875642.db2.gz RQPXRQZARCKAHI-TZIWHRDSSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc4ccccc43)CC[C@H]21 ZINC000483485345 1040875644 /nfs/dbraw/zinc/87/56/44/1040875644.db2.gz RQPXRQZARCKAHI-TZIWHRDSSA-N 1 3 338.495 4.025 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537952087 1040920873 /nfs/dbraw/zinc/92/08/73/1040920873.db2.gz PJKBCEQAMVFONV-XMSQKQJNSA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537952087 1040920899 /nfs/dbraw/zinc/92/08/99/1040920899.db2.gz PJKBCEQAMVFONV-XMSQKQJNSA-N 1 3 338.495 4.004 20 0 EIADHO Fc1ccc(CC2(C[NH2+]C3CCN(C4CCCC4)CC3)CC2)cc1 ZINC000539969691 1040969850 /nfs/dbraw/zinc/96/98/50/1040969850.db2.gz RLVDHHGHJKFLNV-UHFFFAOYSA-N 1 3 330.491 4.145 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC000436241146 1040991815 /nfs/dbraw/zinc/99/18/15/1040991815.db2.gz QNCYICSGDBNDEB-JRFVFWCSSA-N 1 3 348.534 4.477 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000480147767 1041004692 /nfs/dbraw/zinc/00/46/92/1041004692.db2.gz KYTYJCBSJRAXIG-CQSZACIVSA-N 1 3 347.503 4.394 20 0 EIADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCCC2 ZINC000483841132 1041040329 /nfs/dbraw/zinc/04/03/29/1041040329.db2.gz VWMCBVHQELTRHW-PMACEKPBSA-N 1 3 334.548 4.111 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)c2c[nH]c3ccccc32)C1 ZINC000462889311 1041051225 /nfs/dbraw/zinc/05/12/25/1041051225.db2.gz SJINKFOZHFMYAK-SJORKVTESA-N 1 3 327.516 4.156 20 0 EIADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000436299783 1041068309 /nfs/dbraw/zinc/06/83/09/1041068309.db2.gz HKHPKHDORIPZHP-PZJWPPBQSA-N 1 3 326.528 4.394 20 0 EIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000538163079 1041107347 /nfs/dbraw/zinc/10/73/47/1041107347.db2.gz PVHRFOXCJHKESP-HOCLYGCPSA-N 1 3 344.421 4.153 20 0 EIADHO Cc1ccccc1OCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463063899 1041300334 /nfs/dbraw/zinc/30/03/34/1041300334.db2.gz FTFGNRQFWPGFJU-FPOVZHCZSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccccc1OCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463063899 1041300351 /nfs/dbraw/zinc/30/03/51/1041300351.db2.gz FTFGNRQFWPGFJU-FPOVZHCZSA-N 1 3 338.495 4.017 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445708 1041305168 /nfs/dbraw/zinc/30/51/68/1041305168.db2.gz OMUYKTOXCRVFEZ-FOIQADDNSA-N 1 3 328.431 4.048 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445708 1041305183 /nfs/dbraw/zinc/30/51/83/1041305183.db2.gz OMUYKTOXCRVFEZ-FOIQADDNSA-N 1 3 328.431 4.048 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1 ZINC000480738063 1041499244 /nfs/dbraw/zinc/49/92/44/1041499244.db2.gz PUASIIQRUKAHSA-KRWDZBQOSA-N 1 3 344.474 4.397 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000480741238 1041515156 /nfs/dbraw/zinc/51/51/56/1041515156.db2.gz NDCDCQYYPXYPLZ-RVKKMQEKSA-N 1 3 326.509 4.495 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480741238 1041515162 /nfs/dbraw/zinc/51/51/62/1041515162.db2.gz NDCDCQYYPXYPLZ-RVKKMQEKSA-N 1 3 326.509 4.495 20 0 EIADHO CC(C)(C)[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@@H]2C(C)(C)C)COC1 ZINC000541071929 1041798148 /nfs/dbraw/zinc/79/81/48/1041798148.db2.gz RDLDVISRDQIQPI-QZTJIDSGSA-N 1 3 336.564 4.024 20 0 EIADHO CC(C)(C)[C@H]1CCCN1CC1(C[N@H+]2CCC[C@@H]2C(C)(C)C)COC1 ZINC000541071929 1041798154 /nfs/dbraw/zinc/79/81/54/1041798154.db2.gz RDLDVISRDQIQPI-QZTJIDSGSA-N 1 3 336.564 4.024 20 0 EIADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000509443741 1042065854 /nfs/dbraw/zinc/06/58/54/1042065854.db2.gz GEWSBRKFGSIKHK-INIZCTEOSA-N 1 3 330.497 4.074 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000426289005 1042514072 /nfs/dbraw/zinc/51/40/72/1042514072.db2.gz FJHMJMMQTCHPLV-BVYCBKJFSA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000426289005 1042514078 /nfs/dbraw/zinc/51/40/78/1042514078.db2.gz FJHMJMMQTCHPLV-BVYCBKJFSA-N 1 3 344.543 4.099 20 0 EIADHO CSc1ccc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000173329643 1042565577 /nfs/dbraw/zinc/56/55/77/1042565577.db2.gz FKUICXMXWLSOQH-MRXNPFEDSA-N 1 3 344.524 4.200 20 0 EIADHO Cc1cc(C)c(CNC2CC[NH+](CCc3ccccc3)CC2)cc1C ZINC000518766175 1042675361 /nfs/dbraw/zinc/67/53/61/1042675361.db2.gz HEKCATGSCQJUAQ-UHFFFAOYSA-N 1 3 336.523 4.409 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC000467388695 1042716215 /nfs/dbraw/zinc/71/62/15/1042716215.db2.gz IFNWEZXRBMULOV-RLLQIKCJSA-N 1 3 329.532 4.128 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000493075093 1042811273 /nfs/dbraw/zinc/81/12/73/1042811273.db2.gz BIOFOMOEGYKOMV-FCHUYYIVSA-N 1 3 340.511 4.031 20 0 EIADHO CCCOc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000177733997 1042847268 /nfs/dbraw/zinc/84/72/68/1042847268.db2.gz BMVFKWDFUQMXDR-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000310970374 1042849663 /nfs/dbraw/zinc/84/96/63/1042849663.db2.gz DDQQVYWGAWSCGW-UYAOXDASSA-N 1 3 338.495 4.176 20 0 EIADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000311007384 1042850345 /nfs/dbraw/zinc/85/03/45/1042850345.db2.gz WOYAWOMPCPZDHJ-MTQWCTHYSA-N 1 3 348.481 4.312 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311064199 1042851459 /nfs/dbraw/zinc/85/14/59/1042851459.db2.gz JCQRFOBBWYZVPE-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1CCC[N@H+](CCCCNCc2cscc2Br)C1 ZINC000512147702 1043086755 /nfs/dbraw/zinc/08/67/55/1043086755.db2.gz UZVIILDFZOJLNQ-ZDUSSCGKSA-N 1 3 345.350 4.112 20 0 EIADHO C[C@H]1CCC[N@@H+](CCCCNCc2cscc2Br)C1 ZINC000512147702 1043086772 /nfs/dbraw/zinc/08/67/72/1043086772.db2.gz UZVIILDFZOJLNQ-ZDUSSCGKSA-N 1 3 345.350 4.112 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336180 1043126302 /nfs/dbraw/zinc/12/63/02/1043126302.db2.gz BJYGGLMQZQMTDZ-HKUYNNGSSA-N 1 3 326.459 4.389 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336180 1043126306 /nfs/dbraw/zinc/12/63/06/1043126306.db2.gz BJYGGLMQZQMTDZ-HKUYNNGSSA-N 1 3 326.459 4.389 20 0 EIADHO CCSc1cccc(CNCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000185471071 1043187859 /nfs/dbraw/zinc/18/78/59/1043187859.db2.gz HIIROJSOLXROJC-UHFFFAOYSA-N 1 3 344.524 4.029 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc2cnccc2o1 ZINC000657965810 1043222648 /nfs/dbraw/zinc/22/26/48/1043222648.db2.gz BOBQZHSXLJZENT-JENIJYKNSA-N 1 3 349.478 4.389 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cnc2ccccc2c1 ZINC000727466077 1043227396 /nfs/dbraw/zinc/22/73/96/1043227396.db2.gz SSTRSSOXSPGDGG-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cnc2ccccc2c1 ZINC000727466077 1043227409 /nfs/dbraw/zinc/22/74/09/1043227409.db2.gz SSTRSSOXSPGDGG-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO Cc1c([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cnn1-c1ccccc1 ZINC000766045670 1043231131 /nfs/dbraw/zinc/23/11/31/1043231131.db2.gz SXUODVSZBQYACA-UZLBHIALSA-N 1 3 342.531 4.198 20 0 EIADHO FC(F)(F)c1ccc(CCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000674005749 1043271364 /nfs/dbraw/zinc/27/13/64/1043271364.db2.gz NJLABTQLIJHLML-QGZVFWFLSA-N 1 3 340.433 4.056 20 0 EIADHO Clc1ccc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166760936 1043312125 /nfs/dbraw/zinc/31/21/25/1043312125.db2.gz OKKRLZUSIDPCHE-JKSUJKDBSA-N 1 3 327.299 4.142 20 0 EIADHO Clc1ccc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166760936 1043312131 /nfs/dbraw/zinc/31/21/31/1043312131.db2.gz OKKRLZUSIDPCHE-JKSUJKDBSA-N 1 3 327.299 4.142 20 0 EIADHO COCCC[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000442633208 1043774071 /nfs/dbraw/zinc/77/40/71/1043774071.db2.gz CDGXCWBEZAATNH-XLIONFOSSA-N 1 3 336.495 4.148 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[NH+](C)C)cc1)CCS2 ZINC000191489082 1043820466 /nfs/dbraw/zinc/82/04/66/1043820466.db2.gz KZYACZMUTPCHEK-LJQANCHMSA-N 1 3 342.508 4.084 20 0 EIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc4[nH]ccc4c3)CC2)C1 ZINC000442796130 1043842639 /nfs/dbraw/zinc/84/26/39/1043842639.db2.gz FSNUNKJFDWQNQO-UWJYYQICSA-N 1 3 339.527 4.343 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc3[nH]ccc3c2)CC1 ZINC000442811727 1043851817 /nfs/dbraw/zinc/85/18/17/1043851817.db2.gz PHIGMUBRCVUVIN-VGOFRKELSA-N 1 3 339.527 4.343 20 0 EIADHO CCCN1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000443416717 1044265935 /nfs/dbraw/zinc/26/59/35/1044265935.db2.gz OADAYWIJKSCESM-UHFFFAOYSA-N 1 3 328.422 4.320 20 0 EIADHO CCCN1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000443416717 1044265955 /nfs/dbraw/zinc/26/59/55/1044265955.db2.gz OADAYWIJKSCESM-UHFFFAOYSA-N 1 3 328.422 4.320 20 0 EIADHO CCC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000191207895 1044278575 /nfs/dbraw/zinc/27/85/75/1044278575.db2.gz MFOAXVQKAOGAOT-LJQANCHMSA-N 1 3 332.513 4.320 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc21 ZINC000327016911 1044404520 /nfs/dbraw/zinc/40/45/20/1044404520.db2.gz HMJOJOWVVUOPHZ-FUHWJXTLSA-N 1 3 335.495 4.387 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc21 ZINC000327016911 1044404535 /nfs/dbraw/zinc/40/45/35/1044404535.db2.gz HMJOJOWVVUOPHZ-FUHWJXTLSA-N 1 3 335.495 4.387 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000675787964 1044499503 /nfs/dbraw/zinc/49/95/03/1044499503.db2.gz RSPFDOCEMUOSQG-UHFFFAOYSA-N 1 3 333.907 4.216 20 0 EIADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001168476305 1044627944 /nfs/dbraw/zinc/62/79/44/1044627944.db2.gz SUHQPJAXWBOSHS-QZTJIDSGSA-N 1 3 330.491 4.167 20 0 EIADHO C[C@H](Cc1cccc(F)c1)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001168476305 1044627952 /nfs/dbraw/zinc/62/79/52/1044627952.db2.gz SUHQPJAXWBOSHS-QZTJIDSGSA-N 1 3 330.491 4.167 20 0 EIADHO Cc1ccccc1OCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000543461462 1044652042 /nfs/dbraw/zinc/65/20/42/1044652042.db2.gz GYLWTVOGIWUTRG-MOPGFXCFSA-N 1 3 330.516 4.007 20 0 EIADHO C[C@@H]1CCC[N@H+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428876720 1044805116 /nfs/dbraw/zinc/80/51/16/1044805116.db2.gz OJFZZAXUBYAKHE-CQSZACIVSA-N 1 3 335.492 4.037 20 0 EIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428876720 1044805120 /nfs/dbraw/zinc/80/51/20/1044805120.db2.gz OJFZZAXUBYAKHE-CQSZACIVSA-N 1 3 335.492 4.037 20 0 EIADHO CN(C)CC(C)(C)C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000495255853 1044831865 /nfs/dbraw/zinc/83/18/65/1044831865.db2.gz QTQRKUDYEHQKSJ-IBGZPJMESA-N 1 3 345.918 4.196 20 0 EIADHO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000429005194 1044991872 /nfs/dbraw/zinc/99/18/72/1044991872.db2.gz RLYVDGAKMISMQS-QFIPXVFZSA-N 1 3 338.495 4.155 20 0 EIADHO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000429005194 1044991888 /nfs/dbraw/zinc/99/18/88/1044991888.db2.gz RLYVDGAKMISMQS-QFIPXVFZSA-N 1 3 338.495 4.155 20 0 EIADHO CC1([NH+]2CCC2)CCC(NCc2sccc2Br)CC1 ZINC000922846130 1044992764 /nfs/dbraw/zinc/99/27/64/1044992764.db2.gz VGQMVXWIPBWRSJ-UHFFFAOYSA-N 1 3 343.334 4.007 20 0 EIADHO Cc1cc(F)cc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1 ZINC001143618626 1045083668 /nfs/dbraw/zinc/08/36/68/1045083668.db2.gz BETYPSCHAZRYMK-UHFFFAOYSA-N 1 3 338.470 4.232 20 0 EIADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236702665 1045363680 /nfs/dbraw/zinc/36/36/80/1045363680.db2.gz NCNAKZCMSKCHLL-VUHHOQONSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236702665 1045363689 /nfs/dbraw/zinc/36/36/89/1045363689.db2.gz NCNAKZCMSKCHLL-VUHHOQONSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000236702665 1045363696 /nfs/dbraw/zinc/36/36/96/1045363696.db2.gz NCNAKZCMSKCHLL-VUHHOQONSA-N 1 3 334.507 4.244 20 0 EIADHO CCn1c2ccccc2c2cc(CNC[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000237006944 1045372957 /nfs/dbraw/zinc/37/29/57/1045372957.db2.gz FLTCUGOJJNBEKR-GOSISDBHSA-N 1 3 335.495 4.246 20 0 EIADHO CCn1c2ccccc2c2cc(CNC[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000237006944 1045372963 /nfs/dbraw/zinc/37/29/63/1045372963.db2.gz FLTCUGOJJNBEKR-GOSISDBHSA-N 1 3 335.495 4.246 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768101097 1045713032 /nfs/dbraw/zinc/71/30/32/1045713032.db2.gz HISCZRPDWNOOSY-PXNSSMCTSA-N 1 3 330.516 4.173 20 0 EIADHO c1ccc2c(c1)cncc2CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000768304179 1045783116 /nfs/dbraw/zinc/78/31/16/1045783116.db2.gz UILPKZPBWAYPCA-UHFFFAOYSA-N 1 3 337.511 4.323 20 0 EIADHO CC[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnn(C)c1 ZINC000247164416 1045843369 /nfs/dbraw/zinc/84/33/69/1045843369.db2.gz UJLZUMHKENOZQR-UTKZUKDTSA-N 1 3 340.515 4.035 20 0 EIADHO CC[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnn(C)c1 ZINC000247164416 1045843376 /nfs/dbraw/zinc/84/33/76/1045843376.db2.gz UJLZUMHKENOZQR-UTKZUKDTSA-N 1 3 340.515 4.035 20 0 EIADHO Cc1c(Cl)cccc1N1CCC[N@H+](CCCN2CCCCC2)CC1 ZINC001170245176 1045950660 /nfs/dbraw/zinc/95/06/60/1045950660.db2.gz VJCUSPOBKCCKLB-UHFFFAOYSA-N 1 3 349.950 4.037 20 0 EIADHO Cc1c(Cl)cccc1N1CCC[N@@H+](CCCN2CCCCC2)CC1 ZINC001170245176 1045950671 /nfs/dbraw/zinc/95/06/71/1045950671.db2.gz VJCUSPOBKCCKLB-UHFFFAOYSA-N 1 3 349.950 4.037 20 0 EIADHO C[C@@H]([NH3+])[C@@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261658757 1046131175 /nfs/dbraw/zinc/13/11/75/1046131175.db2.gz BLLDDEIDVFBFJL-CRAIPNDOSA-N 1 3 344.449 4.156 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(Br)c1 ZINC000037786206 1046159028 /nfs/dbraw/zinc/15/90/28/1046159028.db2.gz JMJGWQWFAMPNKM-CYBMUJFWSA-N 1 3 339.321 4.363 20 0 EIADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3ccc(O)cc3)cc2)C1 ZINC000237709843 1046354267 /nfs/dbraw/zinc/35/42/67/1046354267.db2.gz UEEOZPLUKWFLFZ-ROUUACIJSA-N 1 3 338.495 4.160 20 0 EIADHO CC(C)C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000536858766 1046826588 /nfs/dbraw/zinc/82/65/88/1046826588.db2.gz RROCLULKLLAEJZ-KURKYZTESA-N 1 3 338.561 4.314 20 0 EIADHO CC(C)C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000536858764 1046827397 /nfs/dbraw/zinc/82/73/97/1046827397.db2.gz RROCLULKLLAEJZ-FGTMMUONSA-N 1 3 338.561 4.314 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788538615 1047215463 /nfs/dbraw/zinc/21/54/63/1047215463.db2.gz HZVLETKVVVJAOJ-HLLBOEOZSA-N 1 3 335.923 4.070 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788538615 1047215450 /nfs/dbraw/zinc/21/54/50/1047215450.db2.gz HZVLETKVVVJAOJ-HLLBOEOZSA-N 1 3 335.923 4.070 20 0 EIADHO COc1ccc(C[NH2+]CCCN2CCC(C)CC2)c2ccccc12 ZINC000325508131 1047252573 /nfs/dbraw/zinc/25/25/73/1047252573.db2.gz HZNQXIRATJTSPB-UHFFFAOYSA-N 1 3 326.484 4.060 20 0 EIADHO Cc1ccc(C(F)(F)F)c(CN2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001143680437 1048150378 /nfs/dbraw/zinc/15/03/78/1048150378.db2.gz BPRSHXQPZNSGCC-UHFFFAOYSA-N 1 3 340.433 4.322 20 0 EIADHO FC1(F)C[C@]12CCCN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000844443969 1048343825 /nfs/dbraw/zinc/34/38/25/1048343825.db2.gz NHGWWBBKMQMKFS-IBGZPJMESA-N 1 3 334.454 4.294 20 0 EIADHO CN(Cc1cc2cc(F)ccc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739048 1048510282 /nfs/dbraw/zinc/51/02/82/1048510282.db2.gz VKFHVAXARBKEID-UHFFFAOYSA-N 1 3 326.415 4.266 20 0 EIADHO CN(C/C=C/c1ccc(F)cc1F)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738706 1048510652 /nfs/dbraw/zinc/51/06/52/1048510652.db2.gz GBFYCXWNTZAZAV-SNAWJCMRSA-N 1 3 330.422 4.172 20 0 EIADHO CCCN(Cc1cccc(Br)c1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246846788 1049020991 /nfs/dbraw/zinc/02/09/91/1049020991.db2.gz QBOGFYHJWBYZPK-INIZCTEOSA-N 1 3 339.321 4.192 20 0 EIADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)Sc1ccc(Br)cc1 ZINC000817897290 1049056940 /nfs/dbraw/zinc/05/69/40/1049056940.db2.gz JQXQYJHLSUXHMS-NWDGAFQWSA-N 1 3 345.350 4.035 20 0 EIADHO CCCN1CCC([NH2+][C@@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820805063 1049551278 /nfs/dbraw/zinc/55/12/78/1049551278.db2.gz DUYFHDXYCOEPHX-FQEVSTJZSA-N 1 3 326.484 4.336 20 0 EIADHO Clc1ccccc1C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000820807866 1049554421 /nfs/dbraw/zinc/55/44/21/1049554421.db2.gz SLJHQHGLYBTXAI-QRWLVFNGSA-N 1 3 344.886 4.291 20 0 EIADHO c1cc(C2CCCC2)ccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000812756422 1049566522 /nfs/dbraw/zinc/56/65/22/1049566522.db2.gz JQKZGRGXVZYMJE-JOCHJYFZSA-N 1 3 342.527 4.077 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389390 1049601115 /nfs/dbraw/zinc/60/11/15/1049601115.db2.gz STKBZOJBHIFBSU-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171389390 1049601117 /nfs/dbraw/zinc/60/11/17/1049601117.db2.gz STKBZOJBHIFBSU-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001171411835 1049644327 /nfs/dbraw/zinc/64/43/27/1049644327.db2.gz OTKFVFSYICOKRE-HXUWFJFHSA-N 1 3 344.518 4.317 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495138 1049720222 /nfs/dbraw/zinc/72/02/22/1049720222.db2.gz XTNDEBFJWRHBDH-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495138 1049720230 /nfs/dbraw/zinc/72/02/30/1049720230.db2.gz XTNDEBFJWRHBDH-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495138 1049720240 /nfs/dbraw/zinc/72/02/40/1049720240.db2.gz XTNDEBFJWRHBDH-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495138 1049720248 /nfs/dbraw/zinc/72/02/48/1049720248.db2.gz XTNDEBFJWRHBDH-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO Clc1ccc(SCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001171554893 1049754149 /nfs/dbraw/zinc/75/41/49/1049754149.db2.gz SFDWCMWVJMDZQY-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO Clc1ccc(SCC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001171554893 1049754157 /nfs/dbraw/zinc/75/41/57/1049754157.db2.gz SFDWCMWVJMDZQY-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO Clc1ccc(SCC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001171554893 1049754165 /nfs/dbraw/zinc/75/41/65/1049754165.db2.gz SFDWCMWVJMDZQY-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO CC(C)c1noc([C@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171639727 1049778382 /nfs/dbraw/zinc/77/83/82/1049778382.db2.gz QWVHYFXUQGELIU-HNNXBMFYSA-N 1 3 348.535 4.024 20 0 EIADHO CC(C)c1noc([C@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171639727 1049778390 /nfs/dbraw/zinc/77/83/90/1049778390.db2.gz QWVHYFXUQGELIU-HNNXBMFYSA-N 1 3 348.535 4.024 20 0 EIADHO Cc1ccccc1O[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637381 1049779001 /nfs/dbraw/zinc/77/90/01/1049779001.db2.gz LSWMYUVGMZRBJE-SFHVURJKSA-N 1 3 330.516 4.100 20 0 EIADHO Cc1ccccc1O[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637381 1049779007 /nfs/dbraw/zinc/77/90/07/1049779007.db2.gz LSWMYUVGMZRBJE-SFHVURJKSA-N 1 3 330.516 4.100 20 0 EIADHO CC1(C)C[C@H]([NH2+]Cc2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC001171974218 1049835698 /nfs/dbraw/zinc/83/56/98/1049835698.db2.gz DWCHIYSJTBPXCQ-LJQANCHMSA-N 1 3 343.902 4.268 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171984847 1049839992 /nfs/dbraw/zinc/83/99/92/1049839992.db2.gz YCKPOFSKWIREJF-UWJYYQICSA-N 1 3 337.511 4.363 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171984847 1049839995 /nfs/dbraw/zinc/83/99/95/1049839995.db2.gz YCKPOFSKWIREJF-UWJYYQICSA-N 1 3 337.511 4.363 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001172127735 1049853396 /nfs/dbraw/zinc/85/33/96/1049853396.db2.gz LFFHMQPUOPSZTD-ZMMAXQRCSA-N 1 3 338.499 4.039 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001172127735 1049853401 /nfs/dbraw/zinc/85/34/01/1049853401.db2.gz LFFHMQPUOPSZTD-ZMMAXQRCSA-N 1 3 338.499 4.039 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001172106925 1049857559 /nfs/dbraw/zinc/85/75/59/1049857559.db2.gz QUJRCKLOWCHQCL-QKDCVEJESA-N 1 3 346.824 4.464 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171021618 1049864400 /nfs/dbraw/zinc/86/44/00/1049864400.db2.gz HDVXSWLBBHOISZ-KRWDZBQOSA-N 1 3 334.935 4.440 20 0 EIADHO [NH3+]C1(c2ccc(F)cc2)CCN([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172558227 1049932313 /nfs/dbraw/zinc/93/23/13/1049932313.db2.gz UJPXKLNUXKGLRE-WIYYLYMNSA-N 1 3 338.470 4.412 20 0 EIADHO COc1ccc(C2([NH3+])CCN(C3CCC4(CCCC4)CC3)CC2)cc1 ZINC001172728456 1049968078 /nfs/dbraw/zinc/96/80/78/1049968078.db2.gz JXWZDDOGMPCGAH-UHFFFAOYSA-N 1 3 342.527 4.448 20 0 EIADHO C[C@@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccnc1 ZINC000246643172 1049993388 /nfs/dbraw/zinc/99/33/88/1049993388.db2.gz XLAUUHRRRAYEAO-CEXWTWQISA-N 1 3 337.511 4.410 20 0 EIADHO C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccnc1 ZINC000246643172 1049993390 /nfs/dbraw/zinc/99/33/90/1049993390.db2.gz XLAUUHRRRAYEAO-CEXWTWQISA-N 1 3 337.511 4.410 20 0 EIADHO CN(C1CC1)C1CC[NH+](C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172825564 1050165681 /nfs/dbraw/zinc/16/56/81/1050165681.db2.gz XYQWQBLIZKSRLP-UHFFFAOYSA-N 1 3 326.528 4.347 20 0 EIADHO C[N@H+](C1CC1)C1CCN(C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172825564 1050165687 /nfs/dbraw/zinc/16/56/87/1050165687.db2.gz XYQWQBLIZKSRLP-UHFFFAOYSA-N 1 3 326.528 4.347 20 0 EIADHO C[N@@H+](C1CC1)C1CCN(C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172825564 1050165700 /nfs/dbraw/zinc/16/57/00/1050165700.db2.gz XYQWQBLIZKSRLP-UHFFFAOYSA-N 1 3 326.528 4.347 20 0 EIADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC001172862998 1050201327 /nfs/dbraw/zinc/20/13/27/1050201327.db2.gz KQZIERFTYVIPSJ-OAHLLOKOSA-N 1 3 326.887 4.122 20 0 EIADHO CC[NH+](CC)C1CCC(N[C@@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173107684 1050308303 /nfs/dbraw/zinc/30/83/03/1050308303.db2.gz JETZPNYQMGRDSF-VMBOVVBDSA-N 1 3 338.442 4.031 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2ccc(F)cc2F)C[N@@H+]1Cc1ccccc1 ZINC001178207950 1050403623 /nfs/dbraw/zinc/40/36/23/1050403623.db2.gz JKLCUJDGELSWEZ-AEFFLSMTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2ccc(F)cc2F)C[N@H+]1Cc1ccccc1 ZINC001178207950 1050403633 /nfs/dbraw/zinc/40/36/33/1050403633.db2.gz JKLCUJDGELSWEZ-AEFFLSMTSA-N 1 3 344.449 4.355 20 0 EIADHO CC[NH+](CC)CC[C@H](N[C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccccc1 ZINC001179805560 1050782513 /nfs/dbraw/zinc/78/25/13/1050782513.db2.gz KBJKKAICFGUQIW-CBPXPLCBSA-N 1 3 344.543 4.254 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CCc3ccccc32)C1 ZINC001180030506 1050860565 /nfs/dbraw/zinc/86/05/65/1050860565.db2.gz NRWHHXKGZPBBNS-SVFBPWRDSA-N 1 3 326.528 4.303 20 0 EIADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CCc3ccccc32)C1 ZINC001180030506 1050860574 /nfs/dbraw/zinc/86/05/74/1050860574.db2.gz NRWHHXKGZPBBNS-SVFBPWRDSA-N 1 3 326.528 4.303 20 0 EIADHO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC001180540035 1051029850 /nfs/dbraw/zinc/02/98/50/1051029850.db2.gz FVJWQLOCJVAOIS-YADHBBJMSA-N 1 3 326.528 4.447 20 0 EIADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001180540035 1051029859 /nfs/dbraw/zinc/02/98/59/1051029859.db2.gz FVJWQLOCJVAOIS-YADHBBJMSA-N 1 3 326.528 4.447 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378986 1051170737 /nfs/dbraw/zinc/17/07/37/1051170737.db2.gz OTMRNVPXJFQJPN-DYVFJYSZSA-N 1 3 340.483 4.310 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378986 1051170742 /nfs/dbraw/zinc/17/07/42/1051170742.db2.gz OTMRNVPXJFQJPN-DYVFJYSZSA-N 1 3 340.483 4.310 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378986 1051170749 /nfs/dbraw/zinc/17/07/49/1051170749.db2.gz OTMRNVPXJFQJPN-DYVFJYSZSA-N 1 3 340.483 4.310 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000153745446 1051222121 /nfs/dbraw/zinc/22/21/21/1051222121.db2.gz KXFVSXHUMYSUHK-HRCADAONSA-N 1 3 343.540 4.395 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000153745446 1051222136 /nfs/dbraw/zinc/22/21/36/1051222136.db2.gz KXFVSXHUMYSUHK-HRCADAONSA-N 1 3 343.540 4.395 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SCC(F)(F)F)cc2)C1 ZINC000163221692 1051252992 /nfs/dbraw/zinc/25/29/92/1051252992.db2.gz QVDKKCRJVVTASO-KBPBESRZSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccc1 ZINC000716654493 1051277521 /nfs/dbraw/zinc/27/75/21/1051277521.db2.gz HYVSFXPFRWMOLX-VLSUOOLDSA-N 1 3 334.507 4.433 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2OC)ccc1OC ZINC000775416048 1051290660 /nfs/dbraw/zinc/29/06/60/1051290660.db2.gz CWDTYNUTRUWUJF-HQRMLTQVSA-N 1 3 348.531 4.003 20 0 EIADHO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1)[C@H]1CCCO1 ZINC000775417833 1051292956 /nfs/dbraw/zinc/29/29/56/1051292956.db2.gz XNBJVSHTZQJSQQ-NBHGPNQESA-N 1 3 348.531 4.145 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000154841590 1051342699 /nfs/dbraw/zinc/34/26/99/1051342699.db2.gz URXFISCUADPVFD-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000154841590 1051342715 /nfs/dbraw/zinc/34/27/15/1051342715.db2.gz URXFISCUADPVFD-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CS[C@@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063341 1051389255 /nfs/dbraw/zinc/38/92/55/1051389255.db2.gz TXTZABLRTDWYBG-TZIWHRDSSA-N 1 3 346.584 4.362 20 0 EIADHO CS[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063341 1051389265 /nfs/dbraw/zinc/38/92/65/1051389265.db2.gz TXTZABLRTDWYBG-TZIWHRDSSA-N 1 3 346.584 4.362 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@@H]1C ZINC001191417133 1051452665 /nfs/dbraw/zinc/45/26/65/1051452665.db2.gz NMPYNGKWAVSPED-KSSFIOAISA-N 1 3 331.891 4.193 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@@H]1C ZINC001191417133 1051452675 /nfs/dbraw/zinc/45/26/75/1051452675.db2.gz NMPYNGKWAVSPED-KSSFIOAISA-N 1 3 331.891 4.193 20 0 EIADHO CC[NH+](CC)CCCN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001192149135 1051642032 /nfs/dbraw/zinc/64/20/32/1051642032.db2.gz LKFDPFLEPCOFEZ-UHFFFAOYSA-N 1 3 346.515 4.282 20 0 EIADHO CCN(CC)CCC[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001192149135 1051642034 /nfs/dbraw/zinc/64/20/34/1051642034.db2.gz LKFDPFLEPCOFEZ-UHFFFAOYSA-N 1 3 346.515 4.282 20 0 EIADHO CCN(CC)CCC[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001192149135 1051642039 /nfs/dbraw/zinc/64/20/39/1051642039.db2.gz LKFDPFLEPCOFEZ-UHFFFAOYSA-N 1 3 346.515 4.282 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000158120250 1051715144 /nfs/dbraw/zinc/71/51/44/1051715144.db2.gz VBBIDKDMYNBDSN-NVXWUHKLSA-N 1 3 341.524 4.119 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000158120250 1051715155 /nfs/dbraw/zinc/71/51/55/1051715155.db2.gz VBBIDKDMYNBDSN-NVXWUHKLSA-N 1 3 341.524 4.119 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2)c1 ZINC000163568524 1051996066 /nfs/dbraw/zinc/99/60/66/1051996066.db2.gz KSTIPEHDQDJCIS-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO CCCN1CCC([N@H+](C)Cc2cc(C)cc(Br)c2)CC1 ZINC000774846755 1052208148 /nfs/dbraw/zinc/20/81/48/1052208148.db2.gz SSKJYRSXRGAIED-UHFFFAOYSA-N 1 3 339.321 4.064 20 0 EIADHO CCCN1CCC([N@@H+](C)Cc2cc(C)cc(Br)c2)CC1 ZINC000774846755 1052208159 /nfs/dbraw/zinc/20/81/59/1052208159.db2.gz SSKJYRSXRGAIED-UHFFFAOYSA-N 1 3 339.321 4.064 20 0 EIADHO COc1cccc2c(C[NH2+]CCCN3CCC(C)CC3)cccc12 ZINC001177122694 1052227366 /nfs/dbraw/zinc/22/73/66/1052227366.db2.gz RTXGPVPNDCMXTI-UHFFFAOYSA-N 1 3 326.484 4.060 20 0 EIADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000192818519 1052640712 /nfs/dbraw/zinc/64/07/12/1052640712.db2.gz ZLRGILIFJDQZNB-NFBKMPQASA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000192818519 1052640714 /nfs/dbraw/zinc/64/07/14/1052640714.db2.gz ZLRGILIFJDQZNB-NFBKMPQASA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000192818519 1052640717 /nfs/dbraw/zinc/64/07/17/1052640717.db2.gz ZLRGILIFJDQZNB-NFBKMPQASA-N 1 3 349.522 4.088 20 0 EIADHO C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000178087735 1052697741 /nfs/dbraw/zinc/69/77/41/1052697741.db2.gz FSEGMWQZFVOECQ-YCRPNKLZSA-N 1 3 342.458 4.104 20 0 EIADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656916 1052698674 /nfs/dbraw/zinc/69/86/74/1052698674.db2.gz FMWKFQBMRXWOLV-UVQBRAAOSA-N 1 3 338.442 4.013 20 0 EIADHO C/C(=C/c1ccccc1OC(F)F)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656916 1052698676 /nfs/dbraw/zinc/69/86/76/1052698676.db2.gz FMWKFQBMRXWOLV-UVQBRAAOSA-N 1 3 338.442 4.013 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ncc(Br)s1 ZINC000179188273 1052726462 /nfs/dbraw/zinc/72/64/62/1052726462.db2.gz ZFPKRJWWROMTIG-RYUDHWBXSA-N 1 3 348.354 4.067 20 0 EIADHO COc1ccc([C@H](C)NC2CC[NH+](C(C)C)CC2)c2ccccc12 ZINC000180403528 1052798805 /nfs/dbraw/zinc/79/88/05/1052798805.db2.gz YCHLALRYFCYHHG-INIZCTEOSA-N 1 3 326.484 4.372 20 0 EIADHO COc1ccc([C@@H](C)NC2CC[NH+](C(C)C)CC2)c2ccccc12 ZINC000180403545 1052799177 /nfs/dbraw/zinc/79/91/77/1052799177.db2.gz YCHLALRYFCYHHG-MRXNPFEDSA-N 1 3 326.484 4.372 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000623866516 1052825132 /nfs/dbraw/zinc/82/51/32/1052825132.db2.gz YQOTVWTZTDGIBY-QGZVKYPTSA-N 1 3 348.531 4.445 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000623866516 1052825133 /nfs/dbraw/zinc/82/51/33/1052825133.db2.gz YQOTVWTZTDGIBY-QGZVKYPTSA-N 1 3 348.531 4.445 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@@H+]1C ZINC000623898298 1052832645 /nfs/dbraw/zinc/83/26/45/1052832645.db2.gz FAOWKUYTOFTHMU-IAISJRAMSA-N 1 3 331.891 4.271 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@H+]1C ZINC000623898298 1052832649 /nfs/dbraw/zinc/83/26/49/1052832649.db2.gz FAOWKUYTOFTHMU-IAISJRAMSA-N 1 3 331.891 4.271 20 0 EIADHO CC1CC[NH+](C2CCC(N[C@H]3CCCc4scnc43)CC2)CC1 ZINC000623923901 1052839010 /nfs/dbraw/zinc/83/90/10/1052839010.db2.gz NWSAHIUWGKARPC-JCYILVPMSA-N 1 3 333.545 4.153 20 0 EIADHO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCCCN(C)C3)oc21 ZINC000624122399 1052868800 /nfs/dbraw/zinc/86/88/00/1052868800.db2.gz QJUCJAJSSBETOF-HZPDHXFCSA-N 1 3 330.472 4.214 20 0 EIADHO COc1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000381343446 1053070424 /nfs/dbraw/zinc/07/04/24/1053070424.db2.gz LATOABLAJNQDGQ-NRFANRHFSA-N 1 3 338.495 4.087 20 0 EIADHO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CCN(C3CCCCC3)CC2)nc1 ZINC000850387300 1053160195 /nfs/dbraw/zinc/16/01/95/1053160195.db2.gz QQGGLMOQBNZEKR-GCJKJVERSA-N 1 3 341.543 4.180 20 0 EIADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850440022 1053215829 /nfs/dbraw/zinc/21/58/29/1053215829.db2.gz RNSHLZCYVKEMBB-INIZCTEOSA-N 1 3 328.500 4.069 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)ccc1OC ZINC000850536864 1053302119 /nfs/dbraw/zinc/30/21/19/1053302119.db2.gz OIFQRZBCIHYKGG-KSSFIOAISA-N 1 3 340.458 4.233 20 0 EIADHO Cc1cccc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC001195659524 1053456922 /nfs/dbraw/zinc/45/69/22/1053456922.db2.gz NSZQMKANXDYSRN-UHFFFAOYSA-N 1 3 349.522 4.268 20 0 EIADHO CC(C)O[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001195809574 1053495535 /nfs/dbraw/zinc/49/55/35/1053495535.db2.gz OCABUJYUOPJIID-NRFANRHFSA-N 1 3 330.516 4.062 20 0 EIADHO COc1ccc2c(c1)nccc2NC1CC[NH+](C2CCCC2)CC1 ZINC000765517632 1053609460 /nfs/dbraw/zinc/60/94/60/1053609460.db2.gz RJNYRSWGOLUNNQ-UHFFFAOYSA-N 1 3 325.456 4.062 20 0 EIADHO CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000386416522 1053713946 /nfs/dbraw/zinc/71/39/46/1053713946.db2.gz YTOLFOWGZUAATJ-RXVVDRJESA-N 1 3 338.495 4.086 20 0 EIADHO C[NH+](C)C1(C)CCC(N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000866516848 1053764659 /nfs/dbraw/zinc/76/46/59/1053764659.db2.gz DDWJUJRUCKELBR-CKHPTIKVSA-N 1 3 341.474 4.163 20 0 EIADHO CCC[NH+]1CCC(N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000866611924 1053803826 /nfs/dbraw/zinc/80/38/26/1053803826.db2.gz ZNZXVJRMFYSVBT-MOPGFXCFSA-N 1 3 336.907 4.024 20 0 EIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCCCC2(F)F)CC1 ZINC001196934744 1053804198 /nfs/dbraw/zinc/80/41/98/1053804198.db2.gz CGTGAMPUFTWTLY-MSOLQXFVSA-N 1 3 328.491 4.398 20 0 EIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@H]2CCCCC2(F)F)CC1 ZINC001196934744 1053804204 /nfs/dbraw/zinc/80/42/04/1053804204.db2.gz CGTGAMPUFTWTLY-MSOLQXFVSA-N 1 3 328.491 4.398 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000429522088 1053959758 /nfs/dbraw/zinc/95/97/58/1053959758.db2.gz SHSLCSGVHHYLPI-OZOXKJRCSA-N 1 3 326.459 4.182 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000429522088 1053959771 /nfs/dbraw/zinc/95/97/71/1053959771.db2.gz SHSLCSGVHHYLPI-OZOXKJRCSA-N 1 3 326.459 4.182 20 0 EIADHO CC[C@H](CCC(F)(F)F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000872085463 1054383296 /nfs/dbraw/zinc/38/32/96/1054383296.db2.gz NNOYLBXPOPEVMN-QGZVFWFLSA-N 1 3 343.437 4.004 20 0 EIADHO CN1CC[C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)CC1(C)C ZINC001199309424 1054387201 /nfs/dbraw/zinc/38/72/01/1054387201.db2.gz IJLOAXQYGIJPOP-HXUWFJFHSA-N 1 3 338.495 4.228 20 0 EIADHO CC1CC[NH+](Cc2cccc(CNCc3cccc4c[nH]nc43)c2)CC1 ZINC000084021913 1054475200 /nfs/dbraw/zinc/47/52/00/1054475200.db2.gz RXZYPSWFMLDRKM-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC001201597970 1054846705 /nfs/dbraw/zinc/84/67/05/1054846705.db2.gz DYDFFMCZBXGQGB-UHFFFAOYSA-N 1 3 349.522 4.001 20 0 EIADHO Cc1c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242770 1055033470 /nfs/dbraw/zinc/03/34/70/1055033470.db2.gz QIQGWKGLTQQKKL-OXQOHEQNSA-N 1 3 341.474 4.014 20 0 EIADHO Cc1c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242770 1055033486 /nfs/dbraw/zinc/03/34/86/1055033486.db2.gz QIQGWKGLTQQKKL-OXQOHEQNSA-N 1 3 341.474 4.014 20 0 EIADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000166407486 1055548078 /nfs/dbraw/zinc/54/80/78/1055548078.db2.gz QYNKIXXWONPCBS-LSDHHAIUSA-N 1 3 341.326 4.487 20 0 EIADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000166407486 1055548098 /nfs/dbraw/zinc/54/80/98/1055548098.db2.gz QYNKIXXWONPCBS-LSDHHAIUSA-N 1 3 341.326 4.487 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000542945481 1056829436 /nfs/dbraw/zinc/82/94/36/1056829436.db2.gz RLWXECBUCKERGF-UHFFFAOYSA-N 1 3 347.547 4.041 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3cnccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379619231 1060134579 /nfs/dbraw/zinc/13/45/79/1060134579.db2.gz BFNASELXOMSVQN-WZONZLPQSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3cnccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379619231 1060134646 /nfs/dbraw/zinc/13/46/46/1060134646.db2.gz BFNASELXOMSVQN-WZONZLPQSA-N 1 3 345.490 4.378 20 0 EIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000386483109 1060266288 /nfs/dbraw/zinc/26/62/88/1060266288.db2.gz WLRQDPIDGSNHHW-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000386483109 1060266316 /nfs/dbraw/zinc/26/63/16/1060266316.db2.gz WLRQDPIDGSNHHW-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154969 1060670372 /nfs/dbraw/zinc/67/03/72/1060670372.db2.gz VGTCDVTZZDTYDA-BJWYYQGGSA-N 1 3 326.406 4.153 20 0 EIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154969 1060670382 /nfs/dbraw/zinc/67/03/82/1060670382.db2.gz VGTCDVTZZDTYDA-BJWYYQGGSA-N 1 3 326.406 4.153 20 0 EIADHO Cc1ccc(-c2nc(CNC(C)(C)CCC[NH+](C)C)cs2)cc1 ZINC000449525597 1031822439 /nfs/dbraw/zinc/82/24/39/1031822439.db2.gz BWAIRPMWYGNXLO-UHFFFAOYSA-N 1 3 331.529 4.329 20 0 EIADHO c1cc2c(o1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180107286 1032566495 /nfs/dbraw/zinc/56/64/95/1032566495.db2.gz PIOQHRLTOHCOBX-QYYYHEGRSA-N 1 3 336.479 4.442 20 0 EIADHO CN1CCCC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533354619 1032690638 /nfs/dbraw/zinc/69/06/38/1032690638.db2.gz IIMUUOJAXYCSMY-SFHVURJKSA-N 1 3 341.474 4.271 20 0 EIADHO CN1CCCC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533354619 1032690645 /nfs/dbraw/zinc/69/06/45/1032690645.db2.gz IIMUUOJAXYCSMY-SFHVURJKSA-N 1 3 341.474 4.271 20 0 EIADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)cc1F ZINC000643546708 1018895835 /nfs/dbraw/zinc/89/58/35/1018895835.db2.gz TUEZKMLWPLHCBB-ZIFCJYIRSA-N 1 3 346.490 4.125 20 0 EIADHO CN(C)[C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000683227151 1019542967 /nfs/dbraw/zinc/54/29/67/1019542967.db2.gz CCPLVWMVXCFVGI-QGZVFWFLSA-N 1 3 328.422 4.054 20 0 EIADHO CN(C)[C@@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000683227151 1019542986 /nfs/dbraw/zinc/54/29/86/1019542986.db2.gz CCPLVWMVXCFVGI-QGZVFWFLSA-N 1 3 328.422 4.054 20 0 EIADHO C[NH+](C)[C@@H]1CCCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000683227151 1019542999 /nfs/dbraw/zinc/54/29/99/1019542999.db2.gz CCPLVWMVXCFVGI-QGZVFWFLSA-N 1 3 328.422 4.054 20 0 EIADHO CC(C)(CCN1CCC([NH+]2CCC(F)CC2)CC1)c1ccccc1 ZINC001208668100 1019557156 /nfs/dbraw/zinc/55/71/56/1019557156.db2.gz RCUQTENFAKDORG-UHFFFAOYSA-N 1 3 332.507 4.253 20 0 EIADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(CSC(F)F)o2)C1 ZINC000120621082 1019898143 /nfs/dbraw/zinc/89/81/43/1019898143.db2.gz FSBIYEHQFUWLFA-CQSZACIVSA-N 1 3 346.487 4.337 20 0 EIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(CSC(F)F)o2)C1 ZINC000120621082 1019898146 /nfs/dbraw/zinc/89/81/46/1019898146.db2.gz FSBIYEHQFUWLFA-CQSZACIVSA-N 1 3 346.487 4.337 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc3cccnc32)c1 ZINC000340438432 1021027325 /nfs/dbraw/zinc/02/73/25/1021027325.db2.gz ZRVFSJYHXFHUHX-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc3cccnc32)c1 ZINC000340438432 1021027332 /nfs/dbraw/zinc/02/73/32/1021027332.db2.gz ZRVFSJYHXFHUHX-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000340473699 1021086011 /nfs/dbraw/zinc/08/60/11/1021086011.db2.gz KVYPJGNOQOXHLW-JOCHJYFZSA-N 1 3 338.495 4.401 20 0 EIADHO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691511 1021100292 /nfs/dbraw/zinc/10/02/92/1021100292.db2.gz YNVFDSFOHIZERQ-WLRLJWMZSA-N 1 3 335.495 4.236 20 0 EIADHO c1nc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000647542747 1022779161 /nfs/dbraw/zinc/77/91/61/1022779161.db2.gz BJFDCXQURDSEQC-ROUUACIJSA-N 1 3 341.524 4.022 20 0 EIADHO C[C@H]([NH2+]CCc1c(F)cccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000402101122 1022800993 /nfs/dbraw/zinc/80/09/93/1022800993.db2.gz VGCRZWLMUXDAJU-WMZOPIPTSA-N 1 3 344.449 4.008 20 0 EIADHO [NH3+]Cc1ccc(CNCc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000647553362 1022815654 /nfs/dbraw/zinc/81/56/54/1022815654.db2.gz WIDFMCQVUKEJOK-UHFFFAOYSA-N 1 3 328.765 4.107 20 0 EIADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1ccccc1O2 ZINC000582068795 1022923016 /nfs/dbraw/zinc/92/30/16/1022923016.db2.gz FLESHDBSMFQNKN-LJQANCHMSA-N 1 3 342.527 4.391 20 0 EIADHO [NH3+]CCC[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1 ZINC000423495664 1022923988 /nfs/dbraw/zinc/92/39/88/1022923988.db2.gz CKEUZKPUJXUXIN-QZTJIDSGSA-N 1 3 330.472 4.432 20 0 EIADHO C[C@]1(CNCc2ccnc3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000382250755 1023087213 /nfs/dbraw/zinc/08/72/13/1023087213.db2.gz AKOMJIKXVJULDO-HSZRJFAPSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@]1(CNCc2ccnc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000382250755 1023087224 /nfs/dbraw/zinc/08/72/24/1023087224.db2.gz AKOMJIKXVJULDO-HSZRJFAPSA-N 1 3 345.490 4.237 20 0 EIADHO CSC1(CN[C@H](C)c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000589349421 1023131010 /nfs/dbraw/zinc/13/10/10/1023131010.db2.gz REJIRRMSFFTAGY-GFCCVEGCSA-N 1 3 347.355 4.471 20 0 EIADHO CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924600426 1023332282 /nfs/dbraw/zinc/33/22/82/1023332282.db2.gz STNHVQYKPADABV-HOTGVXAUSA-N 1 3 339.483 4.118 20 0 EIADHO [NH3+]CCC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000415061547 1023413075 /nfs/dbraw/zinc/41/30/75/1023413075.db2.gz YKHWGXQFXDTEPB-QGZVFWFLSA-N 1 3 340.364 4.414 20 0 EIADHO [NH3+]CCC[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000415061469 1023414035 /nfs/dbraw/zinc/41/40/35/1023414035.db2.gz YEGKSRCIXNTWOF-LJQANCHMSA-N 1 3 337.492 4.380 20 0 EIADHO [NH3+]CCC[C@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000415061191 1023414104 /nfs/dbraw/zinc/41/41/04/1023414104.db2.gz YEGKSRCIXNTWOF-IBGZPJMESA-N 1 3 337.492 4.380 20 0 EIADHO c1ccc([C@H]2C[C@H](NCCOc3ccc4ccccc4c3)CC[NH2+]2)cc1 ZINC000415086973 1023437592 /nfs/dbraw/zinc/43/75/92/1023437592.db2.gz SJQINOZRQMWVLN-FYYLOGMGSA-N 1 3 346.474 4.302 20 0 EIADHO c1ccc([C@@H]2C[C@H](NCCOc3ccc4ccccc4c3)CC[NH2+]2)cc1 ZINC000415086974 1023437706 /nfs/dbraw/zinc/43/77/06/1023437706.db2.gz SJQINOZRQMWVLN-GGAORHGYSA-N 1 3 346.474 4.302 20 0 EIADHO C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118177 1023515578 /nfs/dbraw/zinc/51/55/78/1023515578.db2.gz SNSVTIFQPIFYKD-HFTRVMKXSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118177 1023515586 /nfs/dbraw/zinc/51/55/86/1023515586.db2.gz SNSVTIFQPIFYKD-HFTRVMKXSA-N 1 3 340.433 4.225 20 0 EIADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC000500126503 1023519900 /nfs/dbraw/zinc/51/99/00/1023519900.db2.gz ARRAKNZKPFDWMK-NRFANRHFSA-N 1 3 345.575 4.266 20 0 EIADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccccc1 ZINC000500126503 1023519917 /nfs/dbraw/zinc/51/99/17/1023519917.db2.gz ARRAKNZKPFDWMK-NRFANRHFSA-N 1 3 345.575 4.266 20 0 EIADHO c1sc(-c2ccccc2)nc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786257 1023527972 /nfs/dbraw/zinc/52/79/72/1023527972.db2.gz QYYUKPQVPIYOAI-SFHVURJKSA-N 1 3 341.524 4.022 20 0 EIADHO CCCCOc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OC ZINC000511525932 1023608825 /nfs/dbraw/zinc/60/88/25/1023608825.db2.gz XFSUBKZDFDXFFS-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC2 ZINC000398017874 1023642846 /nfs/dbraw/zinc/64/28/46/1023642846.db2.gz IIXQUYISKOXQAP-MBSDFSHPSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC2 ZINC000398017874 1023642850 /nfs/dbraw/zinc/64/28/50/1023642850.db2.gz IIXQUYISKOXQAP-MBSDFSHPSA-N 1 3 334.507 4.176 20 0 EIADHO CC(C)c1ccc(OC2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000535765563 1024923271 /nfs/dbraw/zinc/92/32/71/1024923271.db2.gz VYYNVVSOFLIVNZ-LJQANCHMSA-N 1 3 330.516 4.138 20 0 EIADHO c1ccc([C@@H](CC2CCC2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000344110846 1026025973 /nfs/dbraw/zinc/02/59/73/1026025973.db2.gz GPPYDVCROJGZNW-DENIHFKCSA-N 1 3 342.527 4.008 20 0 EIADHO c1ccc([C@H](CC2CCC2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000344110847 1026028462 /nfs/dbraw/zinc/02/84/62/1026028462.db2.gz GPPYDVCROJGZNW-KNQAVFIVSA-N 1 3 342.527 4.008 20 0 EIADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000049553333 1026298716 /nfs/dbraw/zinc/29/87/16/1026298716.db2.gz AKTJXCCZSDTAAT-RYUDHWBXSA-N 1 3 339.277 4.186 20 0 EIADHO Cc1nc2c(s1)[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000162930362 1026329097 /nfs/dbraw/zinc/32/90/97/1026329097.db2.gz NTJRAMOGRJNWEP-GOSISDBHSA-N 1 3 341.524 4.215 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550239232 1026392708 /nfs/dbraw/zinc/39/27/08/1026392708.db2.gz TUPAZDOIFKPBPH-RHSMWYFYSA-N 1 3 326.406 4.184 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550239232 1026392721 /nfs/dbraw/zinc/39/27/21/1026392721.db2.gz TUPAZDOIFKPBPH-RHSMWYFYSA-N 1 3 326.406 4.184 20 0 EIADHO C[N@H+](Cc1ccco1)Cc1ccccc1CNCc1ccc(Cl)o1 ZINC000344474867 1026416805 /nfs/dbraw/zinc/41/68/05/1026416805.db2.gz AGNXYSZFOBOYDH-UHFFFAOYSA-N 1 3 344.842 4.448 20 0 EIADHO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ccc(Cl)o1 ZINC000344474867 1026416810 /nfs/dbraw/zinc/41/68/10/1026416810.db2.gz AGNXYSZFOBOYDH-UHFFFAOYSA-N 1 3 344.842 4.448 20 0 EIADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148315 1026751405 /nfs/dbraw/zinc/75/14/05/1026751405.db2.gz XOKFCLNKPINFAN-AEFFLSMTSA-N 1 3 340.433 4.369 20 0 EIADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148315 1026751410 /nfs/dbraw/zinc/75/14/10/1026751410.db2.gz XOKFCLNKPINFAN-AEFFLSMTSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148315 1026751414 /nfs/dbraw/zinc/75/14/14/1026751414.db2.gz XOKFCLNKPINFAN-AEFFLSMTSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148315 1026751420 /nfs/dbraw/zinc/75/14/20/1026751420.db2.gz XOKFCLNKPINFAN-AEFFLSMTSA-N 1 3 340.433 4.369 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000582540450 1026768362 /nfs/dbraw/zinc/76/83/62/1026768362.db2.gz IGTKRZDRGMQTDZ-YHEJKZAPSA-N 1 3 337.511 4.426 20 0 EIADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN1CCCC1 ZINC000474600112 1027288687 /nfs/dbraw/zinc/28/86/87/1027288687.db2.gz UIQPZCKZDSNJLO-ZQDZILKHSA-N 1 3 326.937 4.215 20 0 EIADHO CC(C)Oc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1Cl ZINC000564988436 1027447982 /nfs/dbraw/zinc/44/79/82/1027447982.db2.gz HBXLDFOCTNSWHE-CQSZACIVSA-N 1 3 332.875 4.437 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000441359837 1027476656 /nfs/dbraw/zinc/47/66/56/1027476656.db2.gz RWPBRPUJYBBBSC-WMLDXEAASA-N 1 3 339.321 4.316 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000441359837 1027476660 /nfs/dbraw/zinc/47/66/60/1027476660.db2.gz RWPBRPUJYBBBSC-WMLDXEAASA-N 1 3 339.321 4.316 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441400061 1027523743 /nfs/dbraw/zinc/52/37/43/1027523743.db2.gz ZAPWJDIBLAJDMK-KNQAVFIVSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441400061 1027523756 /nfs/dbraw/zinc/52/37/56/1027523756.db2.gz ZAPWJDIBLAJDMK-KNQAVFIVSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000582905796 1027650680 /nfs/dbraw/zinc/65/06/80/1027650680.db2.gz RIKINIDHRTZLGC-GOSISDBHSA-N 1 3 330.859 4.111 20 0 EIADHO Fc1ccc([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167994512 1027752207 /nfs/dbraw/zinc/75/22/07/1027752207.db2.gz HAOQCUJGGIISIX-YBVXAUJNSA-N 1 3 328.475 4.020 20 0 EIADHO Fc1ccc([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167994512 1027752218 /nfs/dbraw/zinc/75/22/18/1027752218.db2.gz HAOQCUJGGIISIX-YBVXAUJNSA-N 1 3 328.475 4.020 20 0 EIADHO Fc1ccc([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167994512 1027752237 /nfs/dbraw/zinc/75/22/37/1027752237.db2.gz HAOQCUJGGIISIX-YBVXAUJNSA-N 1 3 328.475 4.020 20 0 EIADHO Fc1ccc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167994512 1027752259 /nfs/dbraw/zinc/75/22/59/1027752259.db2.gz HAOQCUJGGIISIX-YBVXAUJNSA-N 1 3 328.475 4.020 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648122 1027842357 /nfs/dbraw/zinc/84/23/57/1027842357.db2.gz RIYKVYBVUJUIQP-UYAOXDASSA-N 1 3 326.509 4.331 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648122 1027842363 /nfs/dbraw/zinc/84/23/63/1027842363.db2.gz RIYKVYBVUJUIQP-UYAOXDASSA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648122 1027842366 /nfs/dbraw/zinc/84/23/66/1027842366.db2.gz RIYKVYBVUJUIQP-UYAOXDASSA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648122 1027842372 /nfs/dbraw/zinc/84/23/72/1027842372.db2.gz RIYKVYBVUJUIQP-UYAOXDASSA-N 1 3 326.509 4.331 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000280995068 1028315426 /nfs/dbraw/zinc/31/54/26/1028315426.db2.gz XETVQZPTLZQUOZ-NZQKXSOJSA-N 1 3 349.522 4.077 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000280995075 1028316612 /nfs/dbraw/zinc/31/66/12/1028316612.db2.gz XETVQZPTLZQUOZ-REWPJTCUSA-N 1 3 349.522 4.077 20 0 EIADHO Fc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Cl)c1Cl ZINC000446888325 1029631763 /nfs/dbraw/zinc/63/17/63/1029631763.db2.gz GTRXMXPVIBOLHX-UHFFFAOYSA-N 1 3 331.262 4.097 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000325282988 1029633023 /nfs/dbraw/zinc/63/30/23/1029633023.db2.gz PDSDQNJIQHXNNW-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CC(C)[NH+]1CCC(N(C)CCn2ccc3cc(Cl)ccc32)CC1 ZINC000584200847 1029671868 /nfs/dbraw/zinc/67/18/68/1029671868.db2.gz QYIKECADCRIRKM-UHFFFAOYSA-N 1 3 333.907 4.099 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(C2CC2)c1 ZINC000708502473 1029742996 /nfs/dbraw/zinc/74/29/96/1029742996.db2.gz HNSCXKKPRRKWIP-WZONZLPQSA-N 1 3 334.507 4.422 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(C2CC2)c1 ZINC000708502473 1029743004 /nfs/dbraw/zinc/74/30/04/1029743004.db2.gz HNSCXKKPRRKWIP-WZONZLPQSA-N 1 3 334.507 4.422 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000657841282 1029754719 /nfs/dbraw/zinc/75/47/19/1029754719.db2.gz OPFNPJMHCNKEAE-OCCSQVGLSA-N 1 3 348.840 4.221 20 0 EIADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000525783782 1030014611 /nfs/dbraw/zinc/01/46/11/1030014611.db2.gz OSPBEGWBHKDXRO-INIZCTEOSA-N 1 3 331.891 4.194 20 0 EIADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000525783782 1030014632 /nfs/dbraw/zinc/01/46/32/1030014632.db2.gz OSPBEGWBHKDXRO-INIZCTEOSA-N 1 3 331.891 4.194 20 0 EIADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc4c(c2)COC4)C3)cc1 ZINC000447587131 1030188279 /nfs/dbraw/zinc/18/82/79/1030188279.db2.gz OWKTWBABVZFFNF-NUNAXRQHSA-N 1 3 348.490 4.002 20 0 EIADHO C[C@H](NCc1cnccc1C(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926581865 1030196597 /nfs/dbraw/zinc/19/65/97/1030196597.db2.gz HBDAEIVCWUIFLF-INIZCTEOSA-N 1 3 325.500 4.292 20 0 EIADHO C[C@H](CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000447735317 1030313963 /nfs/dbraw/zinc/31/39/63/1030313963.db2.gz CVXCFBZANCNWSL-VAMGGRTRSA-N 1 3 344.543 4.001 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC34CCCCC4)CC2)ccn1 ZINC000658161867 1030858374 /nfs/dbraw/zinc/85/83/74/1030858374.db2.gz BGVOHIMBNAZFGZ-NRFANRHFSA-N 1 3 341.543 4.386 20 0 EIADHO C[C@H](CCCC(F)(F)F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164963 1030861398 /nfs/dbraw/zinc/86/13/98/1030861398.db2.gz GVYHIXSUFORPFT-OAHLLOKOSA-N 1 3 343.437 4.004 20 0 EIADHO CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000658167513 1030864982 /nfs/dbraw/zinc/86/49/82/1030864982.db2.gz SMMWXYJBASGITM-FQEVSTJZSA-N 1 3 343.540 4.486 20 0 EIADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168349 1030866555 /nfs/dbraw/zinc/86/65/55/1030866555.db2.gz WFJMFANYZRDFMI-RTWAWAEBSA-N 1 3 329.532 4.098 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319280 1030981704 /nfs/dbraw/zinc/98/17/04/1030981704.db2.gz YWDQQYRVJZEESP-YADHBBJMSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319280 1030981723 /nfs/dbraw/zinc/98/17/23/1030981723.db2.gz YWDQQYRVJZEESP-YADHBBJMSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319280 1030981735 /nfs/dbraw/zinc/98/17/35/1030981735.db2.gz YWDQQYRVJZEESP-YADHBBJMSA-N 1 3 349.522 4.425 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccccc1OCc1ccccc1 ZINC000532507298 1031227535 /nfs/dbraw/zinc/22/75/35/1031227535.db2.gz RGQQYFDMWJSTCR-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO C[N@@H+](Cc1cc2ccccc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000532623372 1031427936 /nfs/dbraw/zinc/42/79/36/1031427936.db2.gz WUYICVITDPWGKT-LJQANCHMSA-N 1 3 334.463 4.387 20 0 EIADHO C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000532623372 1031427945 /nfs/dbraw/zinc/42/79/45/1031427945.db2.gz WUYICVITDPWGKT-LJQANCHMSA-N 1 3 334.463 4.387 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000531702747 1031489303 /nfs/dbraw/zinc/48/93/03/1031489303.db2.gz TYDRLLRBGIBIIT-NRFANRHFSA-N 1 3 340.536 4.259 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CSCCc3ccccc32)c1 ZINC000531702747 1031489311 /nfs/dbraw/zinc/48/93/11/1031489311.db2.gz TYDRLLRBGIBIIT-NRFANRHFSA-N 1 3 340.536 4.259 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000123917814 1031491756 /nfs/dbraw/zinc/49/17/56/1031491756.db2.gz PADVWXUBIVDBNR-IBGZPJMESA-N 1 3 326.509 4.465 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000123917814 1031491762 /nfs/dbraw/zinc/49/17/62/1031491762.db2.gz PADVWXUBIVDBNR-IBGZPJMESA-N 1 3 326.509 4.465 20 0 EIADHO C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000449232833 1031565386 /nfs/dbraw/zinc/56/53/86/1031565386.db2.gz JGOXTYFLVQFORB-BZUAXINKSA-N 1 3 336.470 4.311 20 0 EIADHO Cc1cc([C@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000453124043 1031617575 /nfs/dbraw/zinc/61/75/75/1031617575.db2.gz ZFJAREJCGJAIRW-KRWDZBQOSA-N 1 3 344.524 4.382 20 0 EIADHO CCOc1cccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000065976487 1031639526 /nfs/dbraw/zinc/63/95/26/1031639526.db2.gz FKEYXYVHDCPILZ-UHFFFAOYSA-N 1 3 326.484 4.215 20 0 EIADHO CCOc1cccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000065976487 1031639540 /nfs/dbraw/zinc/63/95/40/1031639540.db2.gz FKEYXYVHDCPILZ-UHFFFAOYSA-N 1 3 326.484 4.215 20 0 EIADHO CC(C)[N@@H+]1CCc2nc(CNc3ccc4cnccc4c3)sc2C1 ZINC000453624164 1032036317 /nfs/dbraw/zinc/03/63/17/1032036317.db2.gz XNCHGFWWWAUHMW-UHFFFAOYSA-N 1 3 338.480 4.070 20 0 EIADHO CC(C)[N@H+]1CCc2nc(CNc3ccc4cnccc4c3)sc2C1 ZINC000453624164 1032036337 /nfs/dbraw/zinc/03/63/37/1032036337.db2.gz XNCHGFWWWAUHMW-UHFFFAOYSA-N 1 3 338.480 4.070 20 0 EIADHO CSCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512633695 1033572991 /nfs/dbraw/zinc/57/29/91/1033572991.db2.gz AWGPDSDOTGQSFS-HSALFYBXSA-N 1 3 332.557 4.020 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513053793 1034373680 /nfs/dbraw/zinc/37/36/80/1034373680.db2.gz YIPUERXUFQKWHR-XLIONFOSSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513053793 1034373693 /nfs/dbraw/zinc/37/36/93/1034373693.db2.gz YIPUERXUFQKWHR-XLIONFOSSA-N 1 3 333.479 4.311 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000333272941 1034576344 /nfs/dbraw/zinc/57/63/44/1034576344.db2.gz KUXZVRLSFPOMMK-BZUAXINKSA-N 1 3 345.487 4.186 20 0 EIADHO CC(C)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000513127434 1034604448 /nfs/dbraw/zinc/60/44/48/1034604448.db2.gz ICJMAMNUPUGLQH-SJPCQFCGSA-N 1 3 336.907 4.184 20 0 EIADHO CC(C)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000513127434 1034604468 /nfs/dbraw/zinc/60/44/68/1034604468.db2.gz ICJMAMNUPUGLQH-SJPCQFCGSA-N 1 3 336.907 4.184 20 0 EIADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@H+](C)C(C)C ZINC000501380964 1035436485 /nfs/dbraw/zinc/43/64/85/1035436485.db2.gz HVJRDAQXNZKJCT-UHFFFAOYSA-N 1 3 340.511 4.388 20 0 EIADHO CCc1cc(OC)ccc1CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000501380964 1035436490 /nfs/dbraw/zinc/43/64/90/1035436490.db2.gz HVJRDAQXNZKJCT-UHFFFAOYSA-N 1 3 340.511 4.388 20 0 EIADHO C[N@H+](Cc1ccccc1CNCc1ccc(O)cc1)C1CCCCC1 ZINC000237154138 1036032501 /nfs/dbraw/zinc/03/25/01/1036032501.db2.gz YNXNJSFSBKSBKC-UHFFFAOYSA-N 1 3 338.495 4.447 20 0 EIADHO C[N@@H+](Cc1ccccc1CNCc1ccc(O)cc1)C1CCCCC1 ZINC000237154138 1036032523 /nfs/dbraw/zinc/03/25/23/1036032523.db2.gz YNXNJSFSBKSBKC-UHFFFAOYSA-N 1 3 338.495 4.447 20 0 EIADHO C[C@H]1C[N@@H+](C2CCN(CC3CC3)CC2)CCc2ccc(Cl)cc21 ZINC001168388739 1036738351 /nfs/dbraw/zinc/73/83/51/1036738351.db2.gz HZAAKDNBJYXLJB-HNNXBMFYSA-N 1 3 332.919 4.176 20 0 EIADHO C[C@H]1C[N@H+](C2CCN(CC3CC3)CC2)CCc2ccc(Cl)cc21 ZINC001168388739 1036738370 /nfs/dbraw/zinc/73/83/70/1036738370.db2.gz HZAAKDNBJYXLJB-HNNXBMFYSA-N 1 3 332.919 4.176 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001168413789 1036766947 /nfs/dbraw/zinc/76/69/47/1036766947.db2.gz AREPHTQIQDFRQL-JOCHJYFZSA-N 1 3 344.518 4.317 20 0 EIADHO Cc1ccccc1CN1CCC([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421819310 1036774521 /nfs/dbraw/zinc/77/45/21/1036774521.db2.gz GMYOVZLTWVPCAD-MRXNPFEDSA-N 1 3 343.902 4.359 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccnc(Cl)c2)cc1 ZINC000163567551 1036833397 /nfs/dbraw/zinc/83/33/97/1036833397.db2.gz PPURYLJFPQAXPM-HNNXBMFYSA-N 1 3 331.891 4.428 20 0 EIADHO C[NH+](C)C1CCC(N[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000421872015 1036839244 /nfs/dbraw/zinc/83/92/44/1036839244.db2.gz GLZGHSPGVQDTNS-AJTFCVKESA-N 1 3 349.478 4.380 20 0 EIADHO C[NH+](C)C1CCC(N[C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000421872017 1036840391 /nfs/dbraw/zinc/84/03/91/1036840391.db2.gz GLZGHSPGVQDTNS-OBFZPWGMSA-N 1 3 349.478 4.380 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2n[nH]c3ccccc32)cc1 ZINC000589640203 1036855556 /nfs/dbraw/zinc/85/55/56/1036855556.db2.gz FXIFMWHWMVAOQQ-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2n[nH]c3ccccc32)cc1 ZINC000589640203 1036855558 /nfs/dbraw/zinc/85/55/58/1036855558.db2.gz FXIFMWHWMVAOQQ-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000589640203 1036855561 /nfs/dbraw/zinc/85/55/61/1036855561.db2.gz FXIFMWHWMVAOQQ-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000589640203 1036855564 /nfs/dbraw/zinc/85/55/64/1036855564.db2.gz FXIFMWHWMVAOQQ-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000486980345 1036932219 /nfs/dbraw/zinc/93/22/19/1036932219.db2.gz MLNZGQKTTZRNBH-VGIQHARFSA-N 1 3 349.522 4.363 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000486980345 1036932249 /nfs/dbraw/zinc/93/22/49/1036932249.db2.gz MLNZGQKTTZRNBH-VGIQHARFSA-N 1 3 349.522 4.363 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271842563 1037031837 /nfs/dbraw/zinc/03/18/37/1037031837.db2.gz HEFGNJANJCOYEI-HNNXBMFYSA-N 1 3 341.524 4.339 20 0 EIADHO Oc1ccc(C2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)cc1 ZINC000668820339 1037349831 /nfs/dbraw/zinc/34/98/31/1037349831.db2.gz UGHIPQHHVRVQEF-LWEYNCJUSA-N 1 3 342.527 4.130 20 0 EIADHO CCC[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccnc1 ZINC000273469301 1037473273 /nfs/dbraw/zinc/47/32/73/1037473273.db2.gz FLIGOZAHROUNJN-NRFANRHFSA-N 1 3 341.499 4.043 20 0 EIADHO CC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N(CC)CC ZINC000605425139 1037777463 /nfs/dbraw/zinc/77/74/63/1037777463.db2.gz WFQOCXCEMFBPLS-YLJYHZDGSA-N 1 3 345.531 4.120 20 0 EIADHO CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N(CC)CC ZINC000605425139 1037777498 /nfs/dbraw/zinc/77/74/98/1037777498.db2.gz WFQOCXCEMFBPLS-YLJYHZDGSA-N 1 3 345.531 4.120 20 0 EIADHO Cc1ccccc1[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422711918 1037804157 /nfs/dbraw/zinc/80/41/57/1037804157.db2.gz NJWNRHFFIJSOLT-YMPZKCBVSA-N 1 3 348.490 4.292 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422732605 1037808126 /nfs/dbraw/zinc/80/81/26/1037808126.db2.gz PZKCXXSTIQXKKV-LBPRGKRZSA-N 1 3 349.881 4.270 20 0 EIADHO COc1ccccc1[C@@H](CC(C)C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422825937 1037842013 /nfs/dbraw/zinc/84/20/13/1037842013.db2.gz QFLMOVBVDAIJPA-OXQOHEQNSA-N 1 3 341.499 4.295 20 0 EIADHO CC(C)c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422874718 1037861573 /nfs/dbraw/zinc/86/15/73/1037861573.db2.gz ASPAXCHLLICOHO-IRLDBZIGSA-N 1 3 336.479 4.156 20 0 EIADHO c1ccc2c(c1)cccc2CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924191 1037871170 /nfs/dbraw/zinc/87/11/70/1037871170.db2.gz YCVQWZXZVBAFHM-GMAHTHKFSA-N 1 3 344.458 4.185 20 0 EIADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423070846 1037934509 /nfs/dbraw/zinc/93/45/09/1037934509.db2.gz NWXWKXWVLOPYNB-QWRGUYRKSA-N 1 3 334.813 4.106 20 0 EIADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423097297 1037953109 /nfs/dbraw/zinc/95/31/09/1037953109.db2.gz QRVGNSBVGNVHQQ-QSPRXWTASA-N 1 3 326.406 4.201 20 0 EIADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100574 1037957753 /nfs/dbraw/zinc/95/77/53/1037957753.db2.gz HCVXLRKMZGHJND-BBRMVZONSA-N 1 3 335.904 4.071 20 0 EIADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423126476 1037978707 /nfs/dbraw/zinc/97/87/07/1037978707.db2.gz IVPJBMLHGHSKPK-FTRWYGJKSA-N 1 3 346.902 4.313 20 0 EIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919236 1037998421 /nfs/dbraw/zinc/99/84/21/1037998421.db2.gz FUWJOMXSGYWPGO-VDHUWJSZSA-N 1 3 344.490 4.170 20 0 EIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919236 1037998456 /nfs/dbraw/zinc/99/84/56/1037998456.db2.gz FUWJOMXSGYWPGO-VDHUWJSZSA-N 1 3 344.490 4.170 20 0 EIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423219265 1038060882 /nfs/dbraw/zinc/06/08/82/1038060882.db2.gz SZKPNLYKUGMAFF-DLVCFXQMSA-N 1 3 326.484 4.277 20 0 EIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423217808 1038063238 /nfs/dbraw/zinc/06/32/38/1038063238.db2.gz QMHYFKGHOJJRQT-XPKDYRNWSA-N 1 3 330.394 4.014 20 0 EIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000423296590 1038124002 /nfs/dbraw/zinc/12/40/02/1038124002.db2.gz ZMBLLRLHJWGMQU-QWHCGFSZSA-N 1 3 338.373 4.456 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCN1 ZINC000423385835 1038195854 /nfs/dbraw/zinc/19/58/54/1038195854.db2.gz RCCHAWSARPKDGS-VZEFYGNVSA-N 1 3 326.406 4.072 20 0 EIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1OC(F)F ZINC000423497348 1038255561 /nfs/dbraw/zinc/25/55/61/1038255561.db2.gz GQSRXIZLNHLLKX-WMLDXEAASA-N 1 3 334.410 4.419 20 0 EIADHO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423494878 1038264320 /nfs/dbraw/zinc/26/43/20/1038264320.db2.gz BEXHCSXIFJWMMN-OPAMFIHVSA-N 1 3 348.494 4.094 20 0 EIADHO CCCCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480769816 1038796070 /nfs/dbraw/zinc/79/60/70/1038796070.db2.gz MQSLKWJNMVCVTM-MSOLQXFVSA-N 1 3 330.516 4.391 20 0 EIADHO CCCCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480769816 1038796101 /nfs/dbraw/zinc/79/61/01/1038796101.db2.gz MQSLKWJNMVCVTM-MSOLQXFVSA-N 1 3 330.516 4.391 20 0 EIADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@H+](C)C(C)C ZINC000480778576 1038804326 /nfs/dbraw/zinc/80/43/26/1038804326.db2.gz IRLZZGHBUBCCAV-OAQYLSRUSA-N 1 3 338.495 4.313 20 0 EIADHO COc1cccc2c1CC[C@H]2NCc1ccccc1C[N@@H+](C)C(C)C ZINC000480778576 1038804328 /nfs/dbraw/zinc/80/43/28/1038804328.db2.gz IRLZZGHBUBCCAV-OAQYLSRUSA-N 1 3 338.495 4.313 20 0 EIADHO CCc1ccccc1-c1nc(CNC2CCC([NH+](C)C)CC2)cs1 ZINC001168315772 1038814858 /nfs/dbraw/zinc/81/48/58/1038814858.db2.gz OCVKYMZCRCSQBW-UHFFFAOYSA-N 1 3 343.540 4.335 20 0 EIADHO CCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000539252280 1038895896 /nfs/dbraw/zinc/89/58/96/1038895896.db2.gz ILKJDAFIPRPSJX-SJLPKXTDSA-N 1 3 334.504 4.009 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000414805561 1038988263 /nfs/dbraw/zinc/98/82/63/1038988263.db2.gz GNQYIJPDABCKDZ-LLVKDONJSA-N 1 3 326.337 4.154 20 0 EIADHO Cc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1Br ZINC000414812824 1039075413 /nfs/dbraw/zinc/07/54/13/1039075413.db2.gz RYQWLLNLGTYEGS-CYBMUJFWSA-N 1 3 333.273 4.067 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(OC)cc1 ZINC000120446860 1039107802 /nfs/dbraw/zinc/10/78/02/1039107802.db2.gz FXYURFGOVDKSPE-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(OC)c2)cc1 ZINC000120580461 1039179336 /nfs/dbraw/zinc/17/93/36/1039179336.db2.gz PRXFHMRHLZAGKD-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC000481294927 1039228982 /nfs/dbraw/zinc/22/89/82/1039228982.db2.gz MZQGGPMAXWLLAT-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000481296893 1039233450 /nfs/dbraw/zinc/23/34/50/1039233450.db2.gz VCCUXHMRKYTHTC-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000481298470 1039238803 /nfs/dbraw/zinc/23/88/03/1039238803.db2.gz INBDZTSAJOQWME-DYESRHJHSA-N 1 3 344.449 4.180 20 0 EIADHO CCC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000481724736 1039788597 /nfs/dbraw/zinc/78/85/97/1039788597.db2.gz NPIQQBZZDYKPSX-HXUWFJFHSA-N 1 3 326.484 4.258 20 0 EIADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(Cl)cc1 ZINC000481928438 1039901341 /nfs/dbraw/zinc/90/13/41/1039901341.db2.gz AAAJFDGGHOBZMI-LJQANCHMSA-N 1 3 338.923 4.272 20 0 EIADHO CCCOc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC ZINC000535082086 1039920068 /nfs/dbraw/zinc/92/00/68/1039920068.db2.gz NXCUDMNZPNAFNB-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO CCCOc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC ZINC000535082086 1039920083 /nfs/dbraw/zinc/92/00/83/1039920083.db2.gz NXCUDMNZPNAFNB-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133278 1040029291 /nfs/dbraw/zinc/02/92/91/1040029291.db2.gz IXPFWZXKRSIRKW-JKSUJKDBSA-N 1 3 332.488 4.450 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133278 1040029312 /nfs/dbraw/zinc/02/93/12/1040029312.db2.gz IXPFWZXKRSIRKW-JKSUJKDBSA-N 1 3 332.488 4.450 20 0 EIADHO Clc1ccc(-c2ncc(C[NH2+]C[C@H]3CCN(C4CC4)C3)s2)cc1 ZINC000551225984 1040083443 /nfs/dbraw/zinc/08/34/43/1040083443.db2.gz YLYMHFIJBJTBRQ-CYBMUJFWSA-N 1 3 347.915 4.037 20 0 EIADHO [NH3+]CCC[C@@H](NCc1c(Cl)ccc2cccnc21)c1ccccc1 ZINC000666977327 1040181565 /nfs/dbraw/zinc/18/15/65/1040181565.db2.gz PWRKZOIJZDVGKX-LJQANCHMSA-N 1 3 339.870 4.458 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000504905722 1040738534 /nfs/dbraw/zinc/73/85/34/1040738534.db2.gz MWZUXDMIQYEOHG-CABCVRRESA-N 1 3 328.422 4.273 20 0 EIADHO COc1cc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1SC ZINC000483204026 1040760029 /nfs/dbraw/zinc/76/00/29/1040760029.db2.gz RXSIJQNSJBXHRJ-KDOFPFPSSA-N 1 3 338.561 4.434 20 0 EIADHO CC[N@@H+](Cc1sccc1OC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539862911 1040848349 /nfs/dbraw/zinc/84/83/49/1040848349.db2.gz QFUAQMYIXRHCNN-GOSISDBHSA-N 1 3 344.524 4.101 20 0 EIADHO CC[N@H+](Cc1sccc1OC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539862911 1040848353 /nfs/dbraw/zinc/84/83/53/1040848353.db2.gz QFUAQMYIXRHCNN-GOSISDBHSA-N 1 3 344.524 4.101 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479436 1040873537 /nfs/dbraw/zinc/87/35/37/1040873537.db2.gz DWSGJCBCXCTQIF-IRLDBZIGSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479436 1040873541 /nfs/dbraw/zinc/87/35/41/1040873541.db2.gz DWSGJCBCXCTQIF-IRLDBZIGSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479436 1040873550 /nfs/dbraw/zinc/87/35/50/1040873550.db2.gz DWSGJCBCXCTQIF-IRLDBZIGSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479436 1040873554 /nfs/dbraw/zinc/87/35/54/1040873554.db2.gz DWSGJCBCXCTQIF-IRLDBZIGSA-N 1 3 338.495 4.025 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903090962 1040898021 /nfs/dbraw/zinc/89/80/21/1040898021.db2.gz KAKOUIHRIQXDMR-UWJYYQICSA-N 1 3 348.506 4.003 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(Br)c21 ZINC000483734455 1040985650 /nfs/dbraw/zinc/98/56/50/1040985650.db2.gz XDQFQMGZLSZLQF-FOCJUVANSA-N 1 3 337.305 4.070 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(Br)c21 ZINC000483734455 1040985666 /nfs/dbraw/zinc/98/56/66/1040985666.db2.gz XDQFQMGZLSZLQF-FOCJUVANSA-N 1 3 337.305 4.070 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000554360896 1041036996 /nfs/dbraw/zinc/03/69/96/1041036996.db2.gz NOJUEJRABOUHFF-UYAOXDASSA-N 1 3 332.919 4.330 20 0 EIADHO Fc1cccc2[nH]c(CNC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000436276374 1041049568 /nfs/dbraw/zinc/04/95/68/1041049568.db2.gz SSPZTHLNVSWCGC-UHFFFAOYSA-N 1 3 337.442 4.061 20 0 EIADHO CC(C)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000538116499 1041049666 /nfs/dbraw/zinc/04/96/66/1041049666.db2.gz LBVMBCFTTNZXOD-QIJUGHKUSA-N 1 3 337.511 4.421 20 0 EIADHO CC(C)[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000538116499 1041049685 /nfs/dbraw/zinc/04/96/85/1041049685.db2.gz LBVMBCFTTNZXOD-QIJUGHKUSA-N 1 3 337.511 4.421 20 0 EIADHO Fc1ccccc1[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000436308794 1041099207 /nfs/dbraw/zinc/09/92/07/1041099207.db2.gz NESUPHNRMYVBIO-SAABIXHNSA-N 1 3 330.491 4.458 20 0 EIADHO Fc1ccccc1[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000436308794 1041099214 /nfs/dbraw/zinc/09/92/14/1041099214.db2.gz NESUPHNRMYVBIO-SAABIXHNSA-N 1 3 330.491 4.458 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(O)c1 ZINC000194839364 1041228926 /nfs/dbraw/zinc/22/89/26/1041228926.db2.gz VXGOHABCKGKHRE-GOSISDBHSA-N 1 3 338.495 4.475 20 0 EIADHO Cc1ccc(C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C2CC2)cc1 ZINC000484497316 1041275100 /nfs/dbraw/zinc/27/51/00/1041275100.db2.gz FUVIWCYVNDZLLV-JOCHJYFZSA-N 1 3 326.528 4.313 20 0 EIADHO CC(C)(Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167962214 1041865071 /nfs/dbraw/zinc/86/50/71/1041865071.db2.gz VLMMKRRMNBWSII-IHWFROFDSA-N 1 3 330.491 4.142 20 0 EIADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1)CN(C)C ZINC000425935970 1041979996 /nfs/dbraw/zinc/97/99/96/1041979996.db2.gz KJRPJGDNHSLIEN-STQMWFEESA-N 1 3 334.451 4.189 20 0 EIADHO c1ccc(OCCCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438121443 1042062502 /nfs/dbraw/zinc/06/25/02/1042062502.db2.gz PKEDYNLRPXFFJI-KNQAVFIVSA-N 1 3 342.527 4.184 20 0 EIADHO c1ccc(OCCCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438121443 1042062507 /nfs/dbraw/zinc/06/25/07/1042062507.db2.gz PKEDYNLRPXFFJI-KNQAVFIVSA-N 1 3 342.527 4.184 20 0 EIADHO CCCC[C@H](CC)C[N@@H+]1CCC[C@@]2(CCCN(C[C@H](C)CO)C2)C1 ZINC001280201521 1042112963 /nfs/dbraw/zinc/11/29/63/1042112963.db2.gz SMDWAPFRCSZCJC-PCCBWWKXSA-N 1 3 338.580 4.009 20 0 EIADHO CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(CCCN(C[C@H](C)CO)C2)C1 ZINC001280201521 1042112981 /nfs/dbraw/zinc/11/29/81/1042112981.db2.gz SMDWAPFRCSZCJC-PCCBWWKXSA-N 1 3 338.580 4.009 20 0 EIADHO C[N@H+](CCSc1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464833798 1042180068 /nfs/dbraw/zinc/18/00/68/1042180068.db2.gz GCIMVBJBGAPILU-FQEVSTJZSA-N 1 3 340.536 4.233 20 0 EIADHO C[N@@H+](CCSc1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464833798 1042180069 /nfs/dbraw/zinc/18/00/69/1042180069.db2.gz GCIMVBJBGAPILU-FQEVSTJZSA-N 1 3 340.536 4.233 20 0 EIADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1CC[NH+](C(C)C)CC1 ZINC000438830244 1042372178 /nfs/dbraw/zinc/37/21/78/1042372178.db2.gz NLRUFDRDKXFAOK-HXUWFJFHSA-N 1 3 325.500 4.316 20 0 EIADHO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309912989 1042824181 /nfs/dbraw/zinc/82/41/81/1042824181.db2.gz MWGOGHDMVJUKMZ-GOEBONIOSA-N 1 3 334.916 4.402 20 0 EIADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000310522227 1042839588 /nfs/dbraw/zinc/83/95/88/1042839588.db2.gz NVJWGIYVOVMALP-FXAWDEMLSA-N 1 3 326.459 4.134 20 0 EIADHO COc1cccc([C@H](C)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310834922 1042846598 /nfs/dbraw/zinc/84/65/98/1042846598.db2.gz MNDLSVZJQVJYQR-WFXMLNOXSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310834922 1042846602 /nfs/dbraw/zinc/84/66/02/1042846602.db2.gz MNDLSVZJQVJYQR-WFXMLNOXSA-N 1 3 338.495 4.256 20 0 EIADHO c1nc(C2CC2)c(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000494927730 1043089981 /nfs/dbraw/zinc/08/99/81/1043089981.db2.gz AURAOJWMTIVDDH-UHFFFAOYSA-N 1 3 333.545 4.109 20 0 EIADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCCC2 ZINC000766187437 1043156748 /nfs/dbraw/zinc/15/67/48/1043156748.db2.gz MMJBVNQTENXNJV-WOJBJXKFSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NCc1cccc(OCC(F)F)c1)c1cccc(C[NH+](C)C)c1 ZINC000925364633 1043184800 /nfs/dbraw/zinc/18/48/00/1043184800.db2.gz PFHDDSQWLRUUAB-HNNXBMFYSA-N 1 3 348.437 4.243 20 0 EIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000508135284 1043288137 /nfs/dbraw/zinc/28/81/37/1043288137.db2.gz DICRAPBCINJDPH-LJQANCHMSA-N 1 3 338.495 4.184 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cccnc2c1 ZINC000674067646 1043386213 /nfs/dbraw/zinc/38/62/13/1043386213.db2.gz MRFXEFYUGRPDEB-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cccnc2c1 ZINC000674067646 1043386236 /nfs/dbraw/zinc/38/62/36/1043386236.db2.gz MRFXEFYUGRPDEB-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO COCCC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000442723113 1043823250 /nfs/dbraw/zinc/82/32/50/1043823250.db2.gz YONZDLNTGGLDAV-XLIONFOSSA-N 1 3 336.495 4.005 20 0 EIADHO CC(C)C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195132353 1044025500 /nfs/dbraw/zinc/02/55/00/1044025500.db2.gz ADCNEPBONVTYFK-IRLDBZIGSA-N 1 3 337.511 4.281 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000194027906 1044243615 /nfs/dbraw/zinc/24/36/15/1044243615.db2.gz FBVDPBPAPAFXNI-QWHCGFSZSA-N 1 3 345.350 4.282 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000474079413 1044357941 /nfs/dbraw/zinc/35/79/41/1044357941.db2.gz IXISZHDEECMEMO-UXLLHSPISA-N 1 3 328.491 4.443 20 0 EIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728291 1044460027 /nfs/dbraw/zinc/46/00/27/1044460027.db2.gz FVLGTTIIQYEYGU-OXJNMPFZSA-N 1 3 325.500 4.255 20 0 EIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728291 1044460030 /nfs/dbraw/zinc/46/00/30/1044460030.db2.gz FVLGTTIIQYEYGU-OXJNMPFZSA-N 1 3 325.500 4.255 20 0 EIADHO CC1CCN(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494880273 1044464676 /nfs/dbraw/zinc/46/46/76/1044464676.db2.gz RXSSHALTDWKEBC-GHTZIAJQSA-N 1 3 348.506 4.005 20 0 EIADHO CC[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)s1 ZINC000675880106 1044553272 /nfs/dbraw/zinc/55/32/72/1044553272.db2.gz BFKIJGVEYVYTMH-GJZGRUSLSA-N 1 3 342.936 4.086 20 0 EIADHO C[C@H](NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccc(N)cc1 ZINC001168028533 1044744269 /nfs/dbraw/zinc/74/42/69/1044744269.db2.gz PGIKSLUUXRPRBE-KURKYZTESA-N 1 3 337.511 4.361 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428874922 1044801146 /nfs/dbraw/zinc/80/11/46/1044801146.db2.gz BRWMYPCRECFFOG-AWEZNQCLSA-N 1 3 335.492 4.180 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428874922 1044801149 /nfs/dbraw/zinc/80/11/49/1044801149.db2.gz BRWMYPCRECFFOG-AWEZNQCLSA-N 1 3 335.492 4.180 20 0 EIADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000673600442 1044854951 /nfs/dbraw/zinc/85/49/51/1044854951.db2.gz XCQRJQGARZZKLI-SCZPIIQISA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000673600442 1044854952 /nfs/dbraw/zinc/85/49/52/1044854952.db2.gz XCQRJQGARZZKLI-SCZPIIQISA-N 1 3 326.406 4.040 20 0 EIADHO CC1([NH+]2CCC2)CCC(NCc2ccc(CSC(F)F)o2)CC1 ZINC000922848332 1044997318 /nfs/dbraw/zinc/99/73/18/1044997318.db2.gz RKVBABJRTMGJOE-UHFFFAOYSA-N 1 3 344.471 4.232 20 0 EIADHO CCN1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](C)C1 ZINC000766259411 1045251223 /nfs/dbraw/zinc/25/12/23/1045251223.db2.gz YLSAAUYOGXAUSR-BYCMXARLSA-N 1 3 343.298 4.137 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000236767405 1045365853 /nfs/dbraw/zinc/36/58/53/1045365853.db2.gz DPYOWUWIFBEPDW-UHFFFAOYSA-N 1 3 326.484 4.203 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768101493 1045713836 /nfs/dbraw/zinc/71/38/36/1045713836.db2.gz HISCZRPDWNOOSY-YLJYHZDGSA-N 1 3 330.516 4.173 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(F)c1 ZINC000398050262 1045826473 /nfs/dbraw/zinc/82/64/73/1045826473.db2.gz XICDCJDPPBXVGM-WWMYMODYSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(F)c1 ZINC000398050262 1045826480 /nfs/dbraw/zinc/82/64/80/1045826480.db2.gz XICDCJDPPBXVGM-WWMYMODYSA-N 1 3 326.459 4.387 20 0 EIADHO CCCN1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000161595095 1046019102 /nfs/dbraw/zinc/01/91/02/1046019102.db2.gz OSGVTGWKOAKGAM-ZDUSSCGKSA-N 1 3 330.394 4.110 20 0 EIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000162584271 1046365938 /nfs/dbraw/zinc/36/59/38/1046365938.db2.gz GRYWMYYJDILCCK-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379641556 1046745357 /nfs/dbraw/zinc/74/53/57/1046745357.db2.gz YKEBXQKZHBLVLA-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379641556 1046745372 /nfs/dbraw/zinc/74/53/72/1046745372.db2.gz YKEBXQKZHBLVLA-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000536855975 1046825718 /nfs/dbraw/zinc/82/57/18/1046825718.db2.gz CVIQTDCLMNLHJN-WKDRNLAYSA-N 1 3 344.543 4.110 20 0 EIADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536860662 1046828713 /nfs/dbraw/zinc/82/87/13/1046828713.db2.gz ZWJDLMMTJZEWTK-SOLBZPMBSA-N 1 3 344.499 4.281 20 0 EIADHO C[C@@H](CCCc1cccnc1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000459645828 1046832745 /nfs/dbraw/zinc/83/27/45/1046832745.db2.gz HOZDBUYPELEKMM-DXIQSLLYSA-N 1 3 343.559 4.426 20 0 EIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)C1 ZINC000459713205 1046868179 /nfs/dbraw/zinc/86/81/79/1046868179.db2.gz NZJYVQDSHMUDJQ-YHOLWWCESA-N 1 3 328.491 4.443 20 0 EIADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537160734 1046996226 /nfs/dbraw/zinc/99/62/26/1046996226.db2.gz GNFZKWUUZQXYLP-WSTZPKSXSA-N 1 3 342.527 4.391 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2nc(Cl)ccc21 ZINC000806127757 1047147296 /nfs/dbraw/zinc/14/72/96/1047147296.db2.gz JEQXPLWCXFTEQT-SFHVURJKSA-N 1 3 343.902 4.354 20 0 EIADHO CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCS1 ZINC000897788147 1047482652 /nfs/dbraw/zinc/48/26/52/1047482652.db2.gz CCRSPCXHWVEFCA-YRPNKDGESA-N 1 3 344.568 4.303 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](c2ccncc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000898321900 1047615753 /nfs/dbraw/zinc/61/57/53/1047615753.db2.gz DVUOAAQTSMSZTB-YHYVQYDKSA-N 1 3 335.495 4.175 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](c2ccncc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000898321900 1047615765 /nfs/dbraw/zinc/61/57/65/1047615765.db2.gz DVUOAAQTSMSZTB-YHYVQYDKSA-N 1 3 335.495 4.175 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000556857534 1048075288 /nfs/dbraw/zinc/07/52/88/1048075288.db2.gz CKSDQMAWLNNSAC-NSHGMRRFSA-N 1 3 346.563 4.379 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000556857534 1048075305 /nfs/dbraw/zinc/07/53/05/1048075305.db2.gz CKSDQMAWLNNSAC-NSHGMRRFSA-N 1 3 346.563 4.379 20 0 EIADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000131737135 1048129689 /nfs/dbraw/zinc/12/96/89/1048129689.db2.gz SLCYCWBSCSUGOZ-YLJYHZDGSA-N 1 3 336.564 4.214 20 0 EIADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107960 1048208081 /nfs/dbraw/zinc/20/80/81/1048208081.db2.gz FDECUXXAMJXZHL-IBGZPJMESA-N 1 3 332.919 4.181 20 0 EIADHO Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499153573 1048361184 /nfs/dbraw/zinc/36/11/84/1048361184.db2.gz RVFXRCBDDJZJFB-WEMPKCCASA-N 1 3 348.490 4.165 20 0 EIADHO c1cc2cccc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718330 1048818953 /nfs/dbraw/zinc/81/89/53/1048818953.db2.gz HQZRWDQUAYKAET-UNMCSNQZSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718330 1048818960 /nfs/dbraw/zinc/81/89/60/1048818960.db2.gz HQZRWDQUAYKAET-UNMCSNQZSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718330 1048818963 /nfs/dbraw/zinc/81/89/63/1048818963.db2.gz HQZRWDQUAYKAET-UNMCSNQZSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718330 1048818970 /nfs/dbraw/zinc/81/89/70/1048818970.db2.gz HQZRWDQUAYKAET-UNMCSNQZSA-N 1 3 345.490 4.122 20 0 EIADHO Cc1nc(-c2cc3c(s2)CCN(CCCCCC[NH3+])C3)cs1 ZINC000846222281 1048844643 /nfs/dbraw/zinc/84/46/43/1048844643.db2.gz CPHICHKVUKODSU-UHFFFAOYSA-N 1 3 335.542 4.057 20 0 EIADHO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OC)c(CN(CC)CC)c2)CCO1 ZINC000817586690 1049018782 /nfs/dbraw/zinc/01/87/82/1049018782.db2.gz QCCWXQRRBTVELF-PWIZWCRZSA-N 1 3 348.531 4.145 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000817900679 1049055799 /nfs/dbraw/zinc/05/57/99/1049055799.db2.gz UYNHKSFFUVJSKB-TZMCWYRMSA-N 1 3 325.481 4.475 20 0 EIADHO C[C@@H]([NH3+])C[C@@H](C)NCCCN1c2ccccc2Sc2ccccc21 ZINC000817913016 1049058748 /nfs/dbraw/zinc/05/87/48/1049058748.db2.gz TYPAKHZJVZHTOH-HZPDHXFCSA-N 1 3 341.524 4.395 20 0 EIADHO COc1ccc2oc([C@H](C)NCc3ccc(CC[NH3+])cc3)c(C)c2c1 ZINC000817950276 1049063822 /nfs/dbraw/zinc/06/38/22/1049063822.db2.gz XQKLEEASEOIXLS-HNNXBMFYSA-N 1 3 338.451 4.102 20 0 EIADHO [NH3+]CCc1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000817947950 1049063843 /nfs/dbraw/zinc/06/38/43/1049063843.db2.gz GVEPRADIISGDHP-KRWDZBQOSA-N 1 3 332.900 4.168 20 0 EIADHO [NH3+]CCc1ccc(CN[C@H]2CCSc3c(Cl)cccc32)cc1 ZINC000817949617 1049064920 /nfs/dbraw/zinc/06/49/20/1049064920.db2.gz SLRDVKAJNQEJSN-KRWDZBQOSA-N 1 3 332.900 4.168 20 0 EIADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000817979531 1049077752 /nfs/dbraw/zinc/07/77/52/1049077752.db2.gz LHUMWABOQUDGKC-UWWQBHOKSA-N 1 3 338.536 4.029 20 0 EIADHO C[C@H](CSC(C)(C)C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000817979531 1049077767 /nfs/dbraw/zinc/07/77/67/1049077767.db2.gz LHUMWABOQUDGKC-UWWQBHOKSA-N 1 3 338.536 4.029 20 0 EIADHO N[C@H](CCC[NH3+])Nc1ccccc1-n1c2ccccc2c2ccccc21 ZINC001170902439 1049156918 /nfs/dbraw/zinc/15/69/18/1049156918.db2.gz CCLXZRCPEYLIRM-QFIPXVFZSA-N 1 3 344.462 4.219 20 0 EIADHO Cc1ccccc1C[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccco1 ZINC000820814866 1049556851 /nfs/dbraw/zinc/55/68/51/1049556851.db2.gz NNQDDFNVPKBQET-FQEVSTJZSA-N 1 3 326.484 4.334 20 0 EIADHO CCN(CCC[NH+]1CCCCC1)CCc1ccc(C(F)(F)F)cc1 ZINC001171400515 1049621422 /nfs/dbraw/zinc/62/14/22/1049621422.db2.gz XVBLMPZADJYJJI-UHFFFAOYSA-N 1 3 342.449 4.446 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1(C)C ZINC001171636456 1049777467 /nfs/dbraw/zinc/77/74/67/1049777467.db2.gz DSRZTUKTEHUPDA-IBGZPJMESA-N 1 3 330.516 4.181 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1(C)C ZINC001171636456 1049777474 /nfs/dbraw/zinc/77/74/74/1049777474.db2.gz DSRZTUKTEHUPDA-IBGZPJMESA-N 1 3 330.516 4.181 20 0 EIADHO Cc1ccnc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962616 1049825028 /nfs/dbraw/zinc/82/50/28/1049825028.db2.gz CGXCOJPUNHNCOU-ICSRJNTNSA-N 1 3 337.511 4.484 20 0 EIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001171966604 1049827205 /nfs/dbraw/zinc/82/72/05/1049827205.db2.gz WNWPVDUTYYFGRT-COXVUDFISA-N 1 3 328.422 4.099 20 0 EIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001171966608 1049827621 /nfs/dbraw/zinc/82/76/21/1049827621.db2.gz WNWPVDUTYYFGRT-XYPHTWIQSA-N 1 3 328.422 4.099 20 0 EIADHO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000813883291 1049831310 /nfs/dbraw/zinc/83/13/10/1049831310.db2.gz SFFIHKYGARONKC-KRWDZBQOSA-N 1 3 348.531 4.004 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(N)c1 ZINC001171976942 1049837856 /nfs/dbraw/zinc/83/78/56/1049837856.db2.gz VZUMOZFTTYPJBE-LAUBAEHRSA-N 1 3 337.511 4.363 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(N)c1 ZINC001171976942 1049837858 /nfs/dbraw/zinc/83/78/58/1049837858.db2.gz VZUMOZFTTYPJBE-LAUBAEHRSA-N 1 3 337.511 4.363 20 0 EIADHO CC(C)[N@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(C)(C)CN ZINC001172079172 1049846492 /nfs/dbraw/zinc/84/64/92/1049846492.db2.gz MPWZEBRRXDPQCZ-WKCHPHFGSA-N 1 3 343.559 4.020 20 0 EIADHO CC(C)[N@@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(C)(C)CN ZINC001172079172 1049846493 /nfs/dbraw/zinc/84/64/93/1049846493.db2.gz MPWZEBRRXDPQCZ-WKCHPHFGSA-N 1 3 343.559 4.020 20 0 EIADHO CC(C)COCC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172485864 1049911200 /nfs/dbraw/zinc/91/12/00/1049911200.db2.gz ZOYPTAZAPTYBJY-FQEVSTJZSA-N 1 3 344.543 4.036 20 0 EIADHO CCCCCC[C@H](CCCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172516705 1049928077 /nfs/dbraw/zinc/92/80/77/1049928077.db2.gz LCWKPDWTJDWGAY-FQEVSTJZSA-N 1 3 325.585 4.131 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172721647 1049964556 /nfs/dbraw/zinc/96/45/56/1049964556.db2.gz IIPPCFCULXSBKH-XUVXKRRUSA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172721647 1049964560 /nfs/dbraw/zinc/96/45/60/1049964560.db2.gz IIPPCFCULXSBKH-XUVXKRRUSA-N 1 3 332.919 4.146 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172708950 1049970912 /nfs/dbraw/zinc/97/09/12/1049970912.db2.gz QFIOGWLBLUPARM-VQTJNVASSA-N 1 3 328.887 4.090 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)C1 ZINC000246816861 1050001763 /nfs/dbraw/zinc/00/17/63/1050001763.db2.gz AXVUSPKFOGBSMF-KGLIPLIRSA-N 1 3 328.472 4.036 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247000630 1050009222 /nfs/dbraw/zinc/00/92/22/1050009222.db2.gz KRQPFRGJNKNSJB-HRCADAONSA-N 1 3 331.529 4.110 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247000630 1050009226 /nfs/dbraw/zinc/00/92/26/1050009226.db2.gz KRQPFRGJNKNSJB-HRCADAONSA-N 1 3 331.529 4.110 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247000630 1050009232 /nfs/dbraw/zinc/00/92/32/1050009232.db2.gz KRQPFRGJNKNSJB-HRCADAONSA-N 1 3 331.529 4.110 20 0 EIADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248374867 1050051502 /nfs/dbraw/zinc/05/15/02/1050051502.db2.gz UREQFCINUUQEPT-YPAWHYETSA-N 1 3 344.543 4.082 20 0 EIADHO Cn1c(CNCc2ccc(C[NH+]3CCCC3)cc2)cc2ccccc21 ZINC001177143856 1050155355 /nfs/dbraw/zinc/15/53/55/1050155355.db2.gz ZPVJVPKSXQXHGZ-UHFFFAOYSA-N 1 3 333.479 4.064 20 0 EIADHO Cc1cc(Cl)cc(C)c1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC001177244847 1050173861 /nfs/dbraw/zinc/17/38/61/1050173861.db2.gz IEKXCPPXCSAAJR-UHFFFAOYSA-N 1 3 342.914 4.495 20 0 EIADHO Cc1cc(Cl)cc(C)c1CNCCC[N@H+]1CCc2ccccc2C1 ZINC001177244847 1050173874 /nfs/dbraw/zinc/17/38/74/1050173874.db2.gz IEKXCPPXCSAAJR-UHFFFAOYSA-N 1 3 342.914 4.495 20 0 EIADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000090461152 1050179376 /nfs/dbraw/zinc/17/93/76/1050179376.db2.gz NYCFYHUGMNNSSP-ZAWLATJESA-N 1 3 328.500 4.141 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001178284842 1050429432 /nfs/dbraw/zinc/42/94/32/1050429432.db2.gz CTZVDLJPZFNAEF-XPWALMASSA-N 1 3 334.507 4.385 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001178284842 1050429444 /nfs/dbraw/zinc/42/94/44/1050429444.db2.gz CTZVDLJPZFNAEF-XPWALMASSA-N 1 3 334.507 4.385 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H](C)c2cccnc2)ccc1OC ZINC000182226369 1050563553 /nfs/dbraw/zinc/56/35/53/1050563553.db2.gz OKJCBFHDFAZUBY-IRXDYDNUSA-N 1 3 341.499 4.344 20 0 EIADHO CC[NH+](CC)CCO[C@@H]1CCN(C/C=C/c2cc(C)c(C)cc2C)C1 ZINC001180081739 1050877874 /nfs/dbraw/zinc/87/78/74/1050877874.db2.gz NLLAXUWXTMNCQD-HYGBKTPJSA-N 1 3 344.543 4.058 20 0 EIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180810289 1051087537 /nfs/dbraw/zinc/08/75/37/1051087537.db2.gz KZVSXISZRZMZFE-CVEARBPZSA-N 1 3 342.449 4.491 20 0 EIADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271902765 1051556067 /nfs/dbraw/zinc/55/60/67/1051556067.db2.gz VXQQSJNMBHSFGL-GFCCVEGCSA-N 1 3 349.272 4.108 20 0 EIADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271902765 1051556091 /nfs/dbraw/zinc/55/60/91/1051556091.db2.gz VXQQSJNMBHSFGL-GFCCVEGCSA-N 1 3 349.272 4.108 20 0 EIADHO c1ccc(CN2CC=C(Nc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC001175506401 1051638340 /nfs/dbraw/zinc/63/83/40/1051638340.db2.gz XPZHFOLJAQHQSB-UHFFFAOYSA-N 1 3 347.506 4.484 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103816 1051712316 /nfs/dbraw/zinc/71/23/16/1051712316.db2.gz VWGONZGOKZVIMA-UONOGXRCSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103816 1051712328 /nfs/dbraw/zinc/71/23/28/1051712328.db2.gz VWGONZGOKZVIMA-UONOGXRCSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103947 1051712418 /nfs/dbraw/zinc/71/24/18/1051712418.db2.gz VWGONZGOKZVIMA-ZIAGYGMSSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103947 1051712432 /nfs/dbraw/zinc/71/24/32/1051712432.db2.gz VWGONZGOKZVIMA-ZIAGYGMSSA-N 1 3 346.462 4.333 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158218917 1051728491 /nfs/dbraw/zinc/72/84/91/1051728491.db2.gz GATLDIWAESYHMD-GOEBONIOSA-N 1 3 329.513 4.111 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158218917 1051728497 /nfs/dbraw/zinc/72/84/97/1051728497.db2.gz GATLDIWAESYHMD-GOEBONIOSA-N 1 3 329.513 4.111 20 0 EIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000775549666 1051815735 /nfs/dbraw/zinc/81/57/35/1051815735.db2.gz ZGZFYQFQQKMWJZ-UKRRQHHQSA-N 1 3 330.394 4.110 20 0 EIADHO C[C@@H]1CCN(Cc2c(Cl)cccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205628553 1051914486 /nfs/dbraw/zinc/91/44/86/1051914486.db2.gz VZXUTCYMPLUGOM-NEPJUHHUSA-N 1 3 334.813 4.166 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCOC23CCCCC3)CC1 ZINC001184067502 1051941393 /nfs/dbraw/zinc/94/13/93/1051941393.db2.gz RRXJRILXVFAMII-YZGWKJHDSA-N 1 3 334.548 4.111 20 0 EIADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(SCC(F)F)cc2)CC1 ZINC000159262546 1051965500 /nfs/dbraw/zinc/96/55/00/1051965500.db2.gz OARDIGLFTLMDOA-ZDUSSCGKSA-N 1 3 328.472 4.179 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000164485586 1052031368 /nfs/dbraw/zinc/03/13/68/1052031368.db2.gz IDYZMUHEWQIWHR-HNNXBMFYSA-N 1 3 336.545 4.332 20 0 EIADHO C[C@H](CN[C@@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+]1CCCC1 ZINC000165304970 1052057862 /nfs/dbraw/zinc/05/78/62/1052057862.db2.gz NABFLIATXLWRBM-OAGGEKHMSA-N 1 3 331.529 4.110 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)CN1CCCC1 ZINC000165304970 1052057874 /nfs/dbraw/zinc/05/78/74/1052057874.db2.gz NABFLIATXLWRBM-OAGGEKHMSA-N 1 3 331.529 4.110 20 0 EIADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3cccc(F)c3)C2)s1 ZINC001194152587 1052088215 /nfs/dbraw/zinc/08/82/15/1052088215.db2.gz DUHOQJFECXYZTM-GOSISDBHSA-N 1 3 346.515 4.192 20 0 EIADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3cccc(F)c3)C2)s1 ZINC001194152587 1052088227 /nfs/dbraw/zinc/08/82/27/1052088227.db2.gz DUHOQJFECXYZTM-GOSISDBHSA-N 1 3 346.515 4.192 20 0 EIADHO CC(C)(C)[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC001176995894 1052217208 /nfs/dbraw/zinc/21/72/08/1052217208.db2.gz OZRZIDWLPAFGCJ-NRFANRHFSA-N 1 3 344.543 4.310 20 0 EIADHO c1cc2c(s1)CCC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336707954 1052513192 /nfs/dbraw/zinc/51/31/92/1052513192.db2.gz JFXYQAFAHHBICT-MJGOQNOKSA-N 1 3 326.509 4.237 20 0 EIADHO c1cc2c(s1)CCC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336707954 1052513199 /nfs/dbraw/zinc/51/31/99/1052513199.db2.gz JFXYQAFAHHBICT-MJGOQNOKSA-N 1 3 326.509 4.237 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@H]2CCCNc3ccccc32)CC1 ZINC000192687692 1052629994 /nfs/dbraw/zinc/62/99/94/1052629994.db2.gz MHGRULDOIOBBLR-QHCPKHFHSA-N 1 3 349.522 4.496 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121280 1052867485 /nfs/dbraw/zinc/86/74/85/1052867485.db2.gz SCYUWCGFGVJXEN-PMPSAXMXSA-N 1 3 331.529 4.110 20 0 EIADHO COc1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000381343448 1053069652 /nfs/dbraw/zinc/06/96/52/1053069652.db2.gz LATOABLAJNQDGQ-OAQYLSRUSA-N 1 3 338.495 4.087 20 0 EIADHO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382169308 1053158700 /nfs/dbraw/zinc/15/87/00/1053158700.db2.gz PKKQCTFSXKLHFD-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000383360163 1053329241 /nfs/dbraw/zinc/32/92/41/1053329241.db2.gz SHQAORAQKSFPSW-DOTOQJQBSA-N 1 3 330.422 4.138 20 0 EIADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383507514 1053347187 /nfs/dbraw/zinc/34/71/87/1053347187.db2.gz KMZPZKCAKOAWAU-HKUYNNGSSA-N 1 3 326.459 4.134 20 0 EIADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000383543028 1053354664 /nfs/dbraw/zinc/35/46/64/1053354664.db2.gz UXPFVLFNVNGUBZ-UWVAXJGDSA-N 1 3 326.484 4.458 20 0 EIADHO CSc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000383677411 1053374757 /nfs/dbraw/zinc/37/47/57/1053374757.db2.gz NSCKIMJFFTYGOC-XLIONFOSSA-N 1 3 340.536 4.409 20 0 EIADHO CC(C)O[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001195809843 1053495293 /nfs/dbraw/zinc/49/52/93/1053495293.db2.gz OCABUJYUOPJIID-OAQYLSRUSA-N 1 3 330.516 4.062 20 0 EIADHO COc1ccc2c(NC[C@@H](c3cccs3)N(C)C)cc[nH+]c2c1 ZINC000765452344 1053554966 /nfs/dbraw/zinc/55/49/66/1053554966.db2.gz FIDRKWZIJNXDGN-KRWDZBQOSA-N 1 3 327.453 4.020 20 0 EIADHO [NH3+]CC[C@H]1CN(c2ccc(F)c(CN3CCCC3)c2)c2ccccc21 ZINC001168548396 1053805059 /nfs/dbraw/zinc/80/50/59/1053805059.db2.gz MPRDDIFYKMPONN-INIZCTEOSA-N 1 3 339.458 4.006 20 0 EIADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000765704532 1053851550 /nfs/dbraw/zinc/85/15/50/1053851550.db2.gz ZEQKDTGUVDKPLU-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000765704532 1053851553 /nfs/dbraw/zinc/85/15/53/1053851553.db2.gz ZEQKDTGUVDKPLU-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000765704532 1053851557 /nfs/dbraw/zinc/85/15/57/1053851557.db2.gz ZEQKDTGUVDKPLU-NFBKMPQASA-N 1 3 334.507 4.137 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000429522089 1053960947 /nfs/dbraw/zinc/96/09/47/1053960947.db2.gz SHSLCSGVHHYLPI-PBEJRMEISA-N 1 3 326.459 4.182 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000429522089 1053960954 /nfs/dbraw/zinc/96/09/54/1053960954.db2.gz SHSLCSGVHHYLPI-PBEJRMEISA-N 1 3 326.459 4.182 20 0 EIADHO CC(C)(C)N1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000624307394 1054165128 /nfs/dbraw/zinc/16/51/28/1054165128.db2.gz ITONNCRVTQKAAV-UHFFFAOYSA-N 1 3 328.422 4.144 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)ccc1OC ZINC000857082520 1054173879 /nfs/dbraw/zinc/17/38/79/1054173879.db2.gz WUHINHLAGAPSJR-RHSMWYFYSA-N 1 3 340.458 4.233 20 0 EIADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(SC(F)F)cc1 ZINC000873236771 1054513139 /nfs/dbraw/zinc/51/31/39/1054513139.db2.gz DIQKNCWDXITDBS-ZDUSSCGKSA-N 1 3 348.462 4.498 20 0 EIADHO c1ccc(CCN2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201606055 1054862053 /nfs/dbraw/zinc/86/20/53/1054862053.db2.gz FKCNNUFDCUTEGW-HSZRJFAPSA-N 1 3 334.507 4.217 20 0 EIADHO c1ccc(CCN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001201606055 1054862061 /nfs/dbraw/zinc/86/20/61/1054862061.db2.gz FKCNNUFDCUTEGW-HSZRJFAPSA-N 1 3 334.507 4.217 20 0 EIADHO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000877080459 1055013046 /nfs/dbraw/zinc/01/30/46/1055013046.db2.gz JELFOUXMNBLHJC-QMHKHESXSA-N 1 3 344.480 4.096 20 0 EIADHO FC(F)C1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000671762703 1055054016 /nfs/dbraw/zinc/05/40/16/1055054016.db2.gz GYPRWQFEIDKXDS-CEXWTWQISA-N 1 3 348.481 4.312 20 0 EIADHO Cc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1Cl ZINC000542698326 1055838793 /nfs/dbraw/zinc/83/87/93/1055838793.db2.gz NLBGYCGFTAWJBI-INIZCTEOSA-N 1 3 346.902 4.440 20 0 EIADHO C[C@H]1CN(Cc2cccc(C(F)(F)F)c2Cl)CCC[C@H]1C[NH3+] ZINC001205995741 1060512605 /nfs/dbraw/zinc/51/26/05/1060512605.db2.gz PTMFGELENJHKPF-RYUDHWBXSA-N 1 3 334.813 4.166 20 0 EIADHO CC(C)C[C@H](Cc1ccccc1)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001169071045 1060629338 /nfs/dbraw/zinc/62/93/38/1060629338.db2.gz UCQVXYPOOQFBRT-OAQYLSRUSA-N 1 3 326.528 4.062 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCc3ccccc3[C@@H]1c1ccccc1)C2 ZINC001169143233 1060663507 /nfs/dbraw/zinc/66/35/07/1060663507.db2.gz ZCLCIAGQCXTXRG-KGSLCBSSSA-N 1 3 332.491 4.259 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCc3ccccc3[C@@H]1c1ccccc1)C2 ZINC001169143233 1060663512 /nfs/dbraw/zinc/66/35/12/1060663512.db2.gz ZCLCIAGQCXTXRG-KGSLCBSSSA-N 1 3 332.491 4.259 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(Br)cs1 ZINC000194089593 1032200068 /nfs/dbraw/zinc/20/00/68/1032200068.db2.gz HLGNFXNWUSTWBA-LLVKDONJSA-N 1 3 345.350 4.424 20 0 EIADHO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000432814817 1032860940 /nfs/dbraw/zinc/86/09/40/1032860940.db2.gz BIRCCNUGZUCPAJ-HXUWFJFHSA-N 1 3 338.495 4.278 20 0 EIADHO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000432814817 1032860946 /nfs/dbraw/zinc/86/09/46/1032860946.db2.gz BIRCCNUGZUCPAJ-HXUWFJFHSA-N 1 3 338.495 4.278 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCN1CCCCC1 ZINC001209452977 1020362424 /nfs/dbraw/zinc/36/24/24/1020362424.db2.gz AYZNUSNDZWHYMC-HNNXBMFYSA-N 1 3 339.321 4.318 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCN1CCCCC1 ZINC001209452977 1020362438 /nfs/dbraw/zinc/36/24/38/1020362438.db2.gz AYZNUSNDZWHYMC-HNNXBMFYSA-N 1 3 339.321 4.318 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000340476169 1021098540 /nfs/dbraw/zinc/09/85/40/1021098540.db2.gz UVZXZCXPLIWCKH-OAQYLSRUSA-N 1 3 338.495 4.401 20 0 EIADHO C[C@H](NCCC1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414127753 1021894255 /nfs/dbraw/zinc/89/42/55/1021894255.db2.gz SOWDUZGBMRLIIU-HNNXBMFYSA-N 1 3 329.513 4.193 20 0 EIADHO CN(C/C=C/C[N@H+](C)Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000613366037 1021895544 /nfs/dbraw/zinc/89/55/44/1021895544.db2.gz SQGKZNXQACHGGP-ONEGZZNKSA-N 1 3 330.422 4.085 20 0 EIADHO CN(C/C=C/C[N@@H+](C)Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000613366037 1021895547 /nfs/dbraw/zinc/89/55/47/1021895547.db2.gz SQGKZNXQACHGGP-ONEGZZNKSA-N 1 3 330.422 4.085 20 0 EIADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1csc(-c2ccccc2)n1 ZINC000414148373 1021976421 /nfs/dbraw/zinc/97/64/21/1021976421.db2.gz NUNNHUQTWIIMJJ-HNNXBMFYSA-N 1 3 341.524 4.335 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCc2nc(C)sc21 ZINC000163785918 1022029464 /nfs/dbraw/zinc/02/94/64/1022029464.db2.gz HTFDMNFYMLUHEZ-GOSISDBHSA-N 1 3 343.540 4.461 20 0 EIADHO COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000471602659 1022308236 /nfs/dbraw/zinc/30/82/36/1022308236.db2.gz CTHLLGUDIXOTHK-BQFCYCMXSA-N 1 3 344.524 4.318 20 0 EIADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC000088163908 1022550606 /nfs/dbraw/zinc/55/06/06/1022550606.db2.gz XDUHJBGCTDZDSX-WODVXLOZSA-N 1 3 343.334 4.177 20 0 EIADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC000088163908 1022550629 /nfs/dbraw/zinc/55/06/29/1022550629.db2.gz XDUHJBGCTDZDSX-WODVXLOZSA-N 1 3 343.334 4.177 20 0 EIADHO CC(C)N1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000236819376 1022656460 /nfs/dbraw/zinc/65/64/60/1022656460.db2.gz FAYZNICHHCFMPD-UHFFFAOYSA-N 1 3 334.813 4.321 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@H](C)CSC)cc1CN1CCCCC1 ZINC000182995955 1022838595 /nfs/dbraw/zinc/83/85/95/1022838595.db2.gz RIBHBZONMAPQAY-CVEARBPZSA-N 1 3 336.545 4.083 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000624120500 1023086382 /nfs/dbraw/zinc/08/63/82/1023086382.db2.gz ALQHHGVSMURXMY-HUUCEWRRSA-N 1 3 344.421 4.010 20 0 EIADHO FC(F)c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000178663849 1023165538 /nfs/dbraw/zinc/16/55/38/1023165538.db2.gz JHCMDIKLSGJTAT-UHFFFAOYSA-N 1 3 330.422 4.378 20 0 EIADHO c1ccc([C@@H]2C[C@H](NCCOc3cccc4ccccc43)CC[NH2+]2)cc1 ZINC000415093828 1023439595 /nfs/dbraw/zinc/43/95/95/1023439595.db2.gz WEZHASLTYYDVHJ-IRLDBZIGSA-N 1 3 346.474 4.302 20 0 EIADHO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500099868 1023500863 /nfs/dbraw/zinc/50/08/63/1023500863.db2.gz VPSMDBVCALKHLV-QFIPXVFZSA-N 1 3 345.575 4.040 20 0 EIADHO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500099868 1023500869 /nfs/dbraw/zinc/50/08/69/1023500869.db2.gz VPSMDBVCALKHLV-QFIPXVFZSA-N 1 3 345.575 4.040 20 0 EIADHO C[C@@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500106264 1023505019 /nfs/dbraw/zinc/50/50/19/1023505019.db2.gz ZLIHJQSZQXBZLJ-JKSUJKDBSA-N 1 3 340.433 4.227 20 0 EIADHO C[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500106263 1023505121 /nfs/dbraw/zinc/50/51/21/1023505121.db2.gz ZLIHJQSZQXBZLJ-HZPDHXFCSA-N 1 3 340.433 4.227 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000581693910 1023616129 /nfs/dbraw/zinc/61/61/29/1023616129.db2.gz VAGZZFNXVJSKFU-GOSISDBHSA-N 1 3 329.532 4.121 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000581693910 1023616133 /nfs/dbraw/zinc/61/61/33/1023616133.db2.gz VAGZZFNXVJSKFU-GOSISDBHSA-N 1 3 329.532 4.121 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cnccc2c1 ZINC000398135724 1023700866 /nfs/dbraw/zinc/70/08/66/1023700866.db2.gz KYXLTWZHIKTRGV-WZONZLPQSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cnccc2c1 ZINC000398135724 1023700873 /nfs/dbraw/zinc/70/08/73/1023700873.db2.gz KYXLTWZHIKTRGV-WZONZLPQSA-N 1 3 345.490 4.235 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000581847179 1023762440 /nfs/dbraw/zinc/76/24/40/1023762440.db2.gz XUMGTXUDNDRSLE-SCZPIIQISA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC[C@H]1CCC[N@H+](C)C1 ZINC000581847179 1023762447 /nfs/dbraw/zinc/76/24/47/1023762447.db2.gz XUMGTXUDNDRSLE-SCZPIIQISA-N 1 3 326.406 4.040 20 0 EIADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000430750925 1024010488 /nfs/dbraw/zinc/01/04/88/1024010488.db2.gz QOJRTGZZCGJBAI-VNTMZGSJSA-N 1 3 348.481 4.312 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611410 1025056017 /nfs/dbraw/zinc/05/60/17/1025056017.db2.gz GLMNPPYBBXFDNC-REWPJTCUSA-N 1 3 349.522 4.425 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611410 1025056032 /nfs/dbraw/zinc/05/60/32/1025056032.db2.gz GLMNPPYBBXFDNC-REWPJTCUSA-N 1 3 349.522 4.425 20 0 EIADHO C[C@@H]1CCCN(Cc2csc(-c3ccccc3F)n2)[C@@H]1CCC[NH3+] ZINC000662314539 1025067613 /nfs/dbraw/zinc/06/76/13/1025067613.db2.gz FGXLNKQFKYGFDO-RDTXWAMCSA-N 1 3 347.503 4.289 20 0 EIADHO C[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)[C@@H]1CCC[NH3+] ZINC000662317060 1025071654 /nfs/dbraw/zinc/07/16/54/1025071654.db2.gz ZFVASFICDVYIHB-RDTXWAMCSA-N 1 3 347.503 4.289 20 0 EIADHO C[C@H](c1nc2ccccc2o1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000181188340 1025121835 /nfs/dbraw/zinc/12/18/35/1025121835.db2.gz BOJAGAPLYNNUAI-QGZVFWFLSA-N 1 3 341.499 4.477 20 0 EIADHO FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663346949 1025142036 /nfs/dbraw/zinc/14/20/36/1025142036.db2.gz YKKGRYCBZUZCRM-WIHSUSGWSA-N 1 3 332.454 4.067 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccnc(Cl)c1 ZINC000162923891 1025213000 /nfs/dbraw/zinc/21/30/00/1025213000.db2.gz PGXKXIVGMGZWFK-OAHLLOKOSA-N 1 3 329.875 4.182 20 0 EIADHO Clc1cccc(C2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663466629 1025397083 /nfs/dbraw/zinc/39/70/83/1025397083.db2.gz WDABFGAASSKFTG-VQSBYGRUSA-N 1 3 332.919 4.298 20 0 EIADHO CCCN1CCC([NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657294274 1025726409 /nfs/dbraw/zinc/72/64/09/1025726409.db2.gz KZVYCIVKXHGKGM-UHFFFAOYSA-N 1 3 329.513 4.083 20 0 EIADHO CN1CCCC[C@@H]1CC[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC001167510002 1025826608 /nfs/dbraw/zinc/82/66/08/1025826608.db2.gz SHRLLUWZYMIDFP-GOSISDBHSA-N 1 3 333.907 4.101 20 0 EIADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC001167510002 1025826609 /nfs/dbraw/zinc/82/66/09/1025826609.db2.gz SHRLLUWZYMIDFP-GOSISDBHSA-N 1 3 333.907 4.101 20 0 EIADHO CN1CCCC[C@H]1CC[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC001167510003 1025827282 /nfs/dbraw/zinc/82/72/82/1025827282.db2.gz SHRLLUWZYMIDFP-SFHVURJKSA-N 1 3 333.907 4.101 20 0 EIADHO CN1CCCC[C@H]1CC[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC001167510003 1025827287 /nfs/dbraw/zinc/82/72/87/1025827287.db2.gz SHRLLUWZYMIDFP-SFHVURJKSA-N 1 3 333.907 4.101 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412825 1025880794 /nfs/dbraw/zinc/88/07/94/1025880794.db2.gz DFSVODUAQGEHCK-KBPBESRZSA-N 1 3 345.314 4.145 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(NCc2ccc3occc3c2)CC1 ZINC000512084893 1025915340 /nfs/dbraw/zinc/91/53/40/1025915340.db2.gz SBQCICMFDJLVSL-UHFFFAOYSA-N 1 3 334.463 4.495 20 0 EIADHO Fc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000432666729 1026699349 /nfs/dbraw/zinc/69/93/49/1026699349.db2.gz FOYNEZMQYYHLQA-GOSISDBHSA-N 1 3 330.472 4.032 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccccn1 ZINC000159053546 1026745537 /nfs/dbraw/zinc/74/55/37/1026745537.db2.gz VVRJBFBJFZSCPO-MRXNPFEDSA-N 1 3 343.902 4.298 20 0 EIADHO C[NH+]1CCC(C)(CNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000507449364 1026797184 /nfs/dbraw/zinc/79/71/84/1026797184.db2.gz NFJNZEHFQSTQLV-UHFFFAOYSA-N 1 3 344.449 4.376 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000474483092 1027120758 /nfs/dbraw/zinc/12/07/58/1027120758.db2.gz SBSIELAPTJGYQV-SJORKVTESA-N 1 3 345.556 4.500 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000474483092 1027120769 /nfs/dbraw/zinc/12/07/69/1027120769.db2.gz SBSIELAPTJGYQV-SJORKVTESA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474483091 1027121230 /nfs/dbraw/zinc/12/12/30/1027121230.db2.gz SBSIELAPTJGYQV-IRXDYDNUSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](NCCC[NH+]1CCC(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474483091 1027121238 /nfs/dbraw/zinc/12/12/38/1027121238.db2.gz SBSIELAPTJGYQV-IRXDYDNUSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN1CCCC1 ZINC000474600109 1027287444 /nfs/dbraw/zinc/28/74/44/1027287444.db2.gz UIQPZCKZDSNJLO-APIJFGDWSA-N 1 3 326.937 4.215 20 0 EIADHO c1cc(CN2CCC(C[NH2+]C3CCC(C4CCC4)CC3)CC2)ccn1 ZINC000657613839 1027305831 /nfs/dbraw/zinc/30/58/31/1027305831.db2.gz SOFKYLZHTRJWNL-UHFFFAOYSA-N 1 3 341.543 4.242 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)CN1CCCCC1 ZINC000320904061 1027544720 /nfs/dbraw/zinc/54/47/20/1027544720.db2.gz CLRMOYYJAYHBIG-CABCVRRESA-N 1 3 326.431 4.061 20 0 EIADHO Fc1ccc([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001167994511 1027750908 /nfs/dbraw/zinc/75/09/08/1027750908.db2.gz HAOQCUJGGIISIX-OKCRPCIYSA-N 1 3 328.475 4.020 20 0 EIADHO Fc1ccc([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001167994511 1027750924 /nfs/dbraw/zinc/75/09/24/1027750924.db2.gz HAOQCUJGGIISIX-OKCRPCIYSA-N 1 3 328.475 4.020 20 0 EIADHO Fc1ccc([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167994511 1027750949 /nfs/dbraw/zinc/75/09/49/1027750949.db2.gz HAOQCUJGGIISIX-OKCRPCIYSA-N 1 3 328.475 4.020 20 0 EIADHO Fc1ccc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167994511 1027750970 /nfs/dbraw/zinc/75/09/70/1027750970.db2.gz HAOQCUJGGIISIX-OKCRPCIYSA-N 1 3 328.475 4.020 20 0 EIADHO COc1cc([C@@H](C)[NH2+]CCCN2CCCCC2)ccc1OC(C)C ZINC000444607303 1027887789 /nfs/dbraw/zinc/88/77/89/1027887789.db2.gz IJCOOROTYJUIMT-QGZVFWFLSA-N 1 3 334.504 4.009 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280803822 1027894181 /nfs/dbraw/zinc/89/41/81/1027894181.db2.gz LBRWSLUVFNRDMD-LEUOFYLZSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280803822 1027894183 /nfs/dbraw/zinc/89/41/83/1027894183.db2.gz LBRWSLUVFNRDMD-LEUOFYLZSA-N 1 3 338.417 4.168 20 0 EIADHO Cn1cc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000188558620 1027979776 /nfs/dbraw/zinc/97/97/76/1027979776.db2.gz SLBARQREZDNVMG-UHFFFAOYSA-N 1 3 347.934 4.227 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000520460117 1028044685 /nfs/dbraw/zinc/04/46/85/1028044685.db2.gz XUCYOUUHUYTUOZ-CBBWQLFWSA-N 1 3 326.937 4.213 20 0 EIADHO C[NH+](C)CC1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000524112387 1028667758 /nfs/dbraw/zinc/66/77/58/1028667758.db2.gz XSXUACOQIUPLAS-UHFFFAOYSA-N 1 3 347.355 4.359 20 0 EIADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC000635013307 1028823299 /nfs/dbraw/zinc/82/32/99/1028823299.db2.gz ZWWSPTJWWDCTPN-ZDUSSCGKSA-N 1 3 334.385 4.202 20 0 EIADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000522973583 1029139891 /nfs/dbraw/zinc/13/98/91/1029139891.db2.gz BRQKXHXEUKHIBU-BBRMVZONSA-N 1 3 328.447 4.305 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000650758654 1029215197 /nfs/dbraw/zinc/21/51/97/1029215197.db2.gz UYIQNVRYUWZZJF-CYBMUJFWSA-N 1 3 338.373 4.155 20 0 EIADHO CC(C)CCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475126178 1029280714 /nfs/dbraw/zinc/28/07/14/1029280714.db2.gz AYOHPSMPGBRSSM-UHFFFAOYSA-N 1 3 330.516 4.172 20 0 EIADHO CC(C)CCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475126178 1029280725 /nfs/dbraw/zinc/28/07/25/1029280725.db2.gz AYOHPSMPGBRSSM-UHFFFAOYSA-N 1 3 330.516 4.172 20 0 EIADHO CCC[N@H+](CCCN(C)C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168056817 1029311397 /nfs/dbraw/zinc/31/13/97/1029311397.db2.gz ITDSZQIWIRWWHC-PMACEKPBSA-N 1 3 345.575 4.092 20 0 EIADHO CCC[N@@H+](CCCN(C)C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168056817 1029311413 /nfs/dbraw/zinc/31/14/13/1029311413.db2.gz ITDSZQIWIRWWHC-PMACEKPBSA-N 1 3 345.575 4.092 20 0 EIADHO C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000089552506 1029854773 /nfs/dbraw/zinc/85/47/73/1029854773.db2.gz BKFSJGVMIRCNBW-VFNWGFHPSA-N 1 3 342.458 4.104 20 0 EIADHO C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000089552527 1029854814 /nfs/dbraw/zinc/85/48/14/1029854814.db2.gz YXQGNGKSKOBELW-YCRPNKLZSA-N 1 3 342.458 4.104 20 0 EIADHO C[C@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000089552529 1029854987 /nfs/dbraw/zinc/85/49/87/1029854987.db2.gz YXQGNGKSKOBELW-BTYIYWSLSA-N 1 3 342.458 4.104 20 0 EIADHO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000090522556 1029866891 /nfs/dbraw/zinc/86/68/91/1029866891.db2.gz JFXVAURZBMYVNH-BDTNDASRSA-N 1 3 344.543 4.131 20 0 EIADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000090586602 1029867782 /nfs/dbraw/zinc/86/77/82/1029867782.db2.gz XSWBVFZLUNSTIJ-VWPQPMDRSA-N 1 3 344.543 4.112 20 0 EIADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000090586602 1029867788 /nfs/dbraw/zinc/86/77/88/1029867788.db2.gz XSWBVFZLUNSTIJ-VWPQPMDRSA-N 1 3 344.543 4.112 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](c2cccnc2)C(C)C)c1 ZINC000091287806 1029883400 /nfs/dbraw/zinc/88/34/00/1029883400.db2.gz VPZVMLOQTJAYCD-NRFANRHFSA-N 1 3 325.500 4.410 20 0 EIADHO CC(C)[NH+]1CCC(N(C)CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447345097 1030024436 /nfs/dbraw/zinc/02/44/36/1030024436.db2.gz IADUTGDUIORBST-UHFFFAOYSA-N 1 3 329.315 4.341 20 0 EIADHO Cc1ccc(C)c([C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2)c1 ZINC000392266637 1030079724 /nfs/dbraw/zinc/07/97/24/1030079724.db2.gz OQQNUZCYDRYQMX-AUSIDOKSSA-N 1 3 334.507 4.467 20 0 EIADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601015 1030219863 /nfs/dbraw/zinc/21/98/63/1030219863.db2.gz OLWXYLCKDDCTBF-DBXWQHBBSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601015 1030219885 /nfs/dbraw/zinc/21/98/85/1030219885.db2.gz OLWXYLCKDDCTBF-DBXWQHBBSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685455210 1030338682 /nfs/dbraw/zinc/33/86/82/1030338682.db2.gz JCNOLGUBXHZBKJ-LSDHHAIUSA-N 1 3 328.422 4.129 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCc2c1cccc2F ZINC000398131414 1030711731 /nfs/dbraw/zinc/71/17/31/1030711731.db2.gz JQSJITNNAOJIFK-NPFVIJTESA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCc2c1cccc2F ZINC000398131414 1030711746 /nfs/dbraw/zinc/71/17/46/1030711746.db2.gz JQSJITNNAOJIFK-NPFVIJTESA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H](CCCC(F)(F)F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164959 1030860134 /nfs/dbraw/zinc/86/01/34/1030860134.db2.gz GVYHIXSUFORPFT-HNNXBMFYSA-N 1 3 343.437 4.004 20 0 EIADHO Cc1cccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C ZINC000658167402 1030863954 /nfs/dbraw/zinc/86/39/54/1030863954.db2.gz RVVGYRVZEPLCCK-LJQANCHMSA-N 1 3 337.511 4.261 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)ccc1OC ZINC000527930122 1030970109 /nfs/dbraw/zinc/97/01/09/1030970109.db2.gz PVHNLVVAKDDYHW-QZTJIDSGSA-N 1 3 348.531 4.004 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319485 1030980483 /nfs/dbraw/zinc/98/04/83/1030980483.db2.gz CHDFHURGPJGCHJ-RXVVDRJESA-N 1 3 335.495 4.035 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccccc1OCc1ccccc1 ZINC000532507297 1031230297 /nfs/dbraw/zinc/23/02/97/1031230297.db2.gz RGQQYFDMWJSTCR-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(C)cc2)[C@H](C)C1 ZINC000532499451 1031238670 /nfs/dbraw/zinc/23/86/70/1031238670.db2.gz JFTSQAOATNNSLY-GIVPXCGWSA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(C)cc2)[C@H](C)C1 ZINC000532499451 1031238676 /nfs/dbraw/zinc/23/86/76/1031238676.db2.gz JFTSQAOATNNSLY-GIVPXCGWSA-N 1 3 332.532 4.173 20 0 EIADHO COc1cc(CNCc2ccc(C[NH+](C)C)cc2)cc2ccccc21 ZINC000449065539 1031392598 /nfs/dbraw/zinc/39/25/98/1031392598.db2.gz ZTRNDUYUZCLKNY-UHFFFAOYSA-N 1 3 334.463 4.200 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453087432 1031577257 /nfs/dbraw/zinc/57/72/57/1031577257.db2.gz PSCVPGPDDKWSAU-KRWDZBQOSA-N 1 3 340.515 4.002 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000531943173 1031823850 /nfs/dbraw/zinc/82/38/50/1031823850.db2.gz VRILKBVOKHWYQC-CQSZACIVSA-N 1 3 344.421 4.356 20 0 EIADHO Cc1cc([C@@H](C)NCc2ccc(C[NH3+])cc2)sc1Br ZINC000576465959 1034619204 /nfs/dbraw/zinc/61/92/04/1034619204.db2.gz PKKICDYUQDVISQ-LLVKDONJSA-N 1 3 339.302 4.129 20 0 EIADHO c1cncc([C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C2CCC2)c1 ZINC000280295044 1035223986 /nfs/dbraw/zinc/22/39/86/1035223986.db2.gz NBSVAMHENMDHQJ-QFIPXVFZSA-N 1 3 335.495 4.308 20 0 EIADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc3[nH]ccc3c2)CC1 ZINC000571776360 1036250719 /nfs/dbraw/zinc/25/07/19/1036250719.db2.gz ZBSUFGTXQPUMKU-QGZVFWFLSA-N 1 3 333.479 4.483 20 0 EIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2n[nH]c3ccccc32)cc1 ZINC000589640197 1036855371 /nfs/dbraw/zinc/85/53/71/1036855371.db2.gz FXIFMWHWMVAOQQ-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2n[nH]c3ccccc32)cc1 ZINC000589640197 1036855375 /nfs/dbraw/zinc/85/53/75/1036855375.db2.gz FXIFMWHWMVAOQQ-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000589640197 1036855379 /nfs/dbraw/zinc/85/53/79/1036855379.db2.gz FXIFMWHWMVAOQQ-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000589640197 1036855382 /nfs/dbraw/zinc/85/53/82/1036855382.db2.gz FXIFMWHWMVAOQQ-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000486944398 1036898964 /nfs/dbraw/zinc/89/89/64/1036898964.db2.gz PMNQBJUKCOWGFW-ZLQZBKBYSA-N 1 3 335.495 4.259 20 0 EIADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000486944398 1036898965 /nfs/dbraw/zinc/89/89/65/1036898965.db2.gz PMNQBJUKCOWGFW-ZLQZBKBYSA-N 1 3 335.495 4.259 20 0 EIADHO CCOc1ccc(CNCc2ccccc2C[NH+](CC)CC)cc1F ZINC000486947166 1036898984 /nfs/dbraw/zinc/89/89/84/1036898984.db2.gz UERJDMFHOPDLJF-UHFFFAOYSA-N 1 3 344.474 4.356 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cccc3[nH]ccc32)CC1 ZINC000503121267 1036917721 /nfs/dbraw/zinc/91/77/21/1036917721.db2.gz NTWFWTFDXFEFGK-VGOFRKELSA-N 1 3 339.527 4.343 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000272265921 1037149319 /nfs/dbraw/zinc/14/93/19/1037149319.db2.gz AKVPTBQQKHUFBX-TXPKVOOTSA-N 1 3 343.902 4.296 20 0 EIADHO Cc1nc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000272419342 1037184621 /nfs/dbraw/zinc/18/46/21/1037184621.db2.gz NATYPDVVJZRJFA-REPLKXPHSA-N 1 3 341.524 4.045 20 0 EIADHO N[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C1CC1 ZINC000573082396 1037346188 /nfs/dbraw/zinc/34/61/88/1037346188.db2.gz AFPGXLCZCACSDB-GJZGRUSLSA-N 1 3 347.915 4.168 20 0 EIADHO COc1cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422717331 1037813427 /nfs/dbraw/zinc/81/34/27/1037813427.db2.gz KQLDEQYVZVUOHS-IKGGRYGDSA-N 1 3 342.483 4.051 20 0 EIADHO CCc1ccc([C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422759205 1037817690 /nfs/dbraw/zinc/81/76/90/1037817690.db2.gz FPXNKDCIYIGWQN-IERDGZPVSA-N 1 3 325.500 4.459 20 0 EIADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422745358 1037823780 /nfs/dbraw/zinc/82/37/80/1037823780.db2.gz MDZNLDSIVONFDC-QMIHWGKISA-N 1 3 342.870 4.247 20 0 EIADHO Cc1cccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000422747211 1037824569 /nfs/dbraw/zinc/82/45/69/1037824569.db2.gz PMTVXJZNPUUBNG-RBDMOPTHSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422764187 1037834550 /nfs/dbraw/zinc/83/45/50/1037834550.db2.gz UUXQOXLWFMQHJN-KRWDZBQOSA-N 1 3 345.490 4.331 20 0 EIADHO CCC(CC)(C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000422797467 1037836091 /nfs/dbraw/zinc/83/60/91/1037836091.db2.gz MQAHSVQSAWJGIZ-MRXNPFEDSA-N 1 3 325.500 4.257 20 0 EIADHO CC[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1ccccc1Cl ZINC000422838309 1037843327 /nfs/dbraw/zinc/84/33/27/1037843327.db2.gz ODKPFABYASNVQU-XJKSGUPXSA-N 1 3 347.890 4.010 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000422882154 1037851731 /nfs/dbraw/zinc/85/17/31/1037851731.db2.gz AIEACCXUAHPHTI-QGZVFWFLSA-N 1 3 345.490 4.409 20 0 EIADHO c1ccc(SC2(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422910676 1037865846 /nfs/dbraw/zinc/86/58/46/1037865846.db2.gz RGTGEYDEPNSMEX-IPMKNSEASA-N 1 3 330.541 4.212 20 0 EIADHO CC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422949948 1037887875 /nfs/dbraw/zinc/88/78/75/1037887875.db2.gz VBLGWQYNYIYOFX-FCEWJHQRSA-N 1 3 328.481 4.045 20 0 EIADHO [NH3+][C@H]1C[C@@H](NCC2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423054524 1037940581 /nfs/dbraw/zinc/94/05/81/1037940581.db2.gz USCMEPFRRCXFHK-LEWJYISDSA-N 1 3 336.479 4.108 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(C)C ZINC000423076753 1037942378 /nfs/dbraw/zinc/94/23/78/1037942378.db2.gz ZPWIFXYKNHDVQF-QFBILLFUSA-N 1 3 325.500 4.014 20 0 EIADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423096959 1037955183 /nfs/dbraw/zinc/95/51/83/1037955183.db2.gz QDTZSZYOXGDCBO-OTRWWLKZSA-N 1 3 326.406 4.059 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423100191 1037956888 /nfs/dbraw/zinc/95/68/88/1037956888.db2.gz GPGVPIKTWOBHQS-LBPRGKRZSA-N 1 3 337.920 4.237 20 0 EIADHO Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423132907 1038011085 /nfs/dbraw/zinc/01/10/85/1038011085.db2.gz PSHKXABLJGFXBU-XPNTWCBSSA-N 1 3 348.490 4.218 20 0 EIADHO CC(C)Sc1ccc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423181039 1038035219 /nfs/dbraw/zinc/03/52/19/1038035219.db2.gz CAQPIFNIWLLHFS-QGZVFWFLSA-N 1 3 343.540 4.413 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000503950151 1038042467 /nfs/dbraw/zinc/04/24/67/1038042467.db2.gz BIMNTVCRROYLHN-VDHUWJSZSA-N 1 3 344.490 4.170 20 0 EIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423283851 1038092449 /nfs/dbraw/zinc/09/24/49/1038092449.db2.gz WKSUOUXPACOURO-WBAXXEDZSA-N 1 3 343.540 4.210 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000423294178 1038122445 /nfs/dbraw/zinc/12/24/45/1038122445.db2.gz TXPDVMMRUVWUKO-KPZWWZAWSA-N 1 3 345.284 4.246 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000423293959 1038123103 /nfs/dbraw/zinc/12/31/03/1038123103.db2.gz SPKNJKCPDDHNKB-SCLBCKFNSA-N 1 3 330.859 4.363 20 0 EIADHO Cc1ccsc1[C@H](NCCCC[NH3+])c1ccc(Cl)cc1F ZINC000423327448 1038139465 /nfs/dbraw/zinc/13/94/65/1038139465.db2.gz NDVAKCBMLABWTO-OAHLLOKOSA-N 1 3 326.868 4.267 20 0 EIADHO CCOc1ccc([C@H](NCCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423331328 1038144777 /nfs/dbraw/zinc/14/47/77/1038144777.db2.gz PXFJPROMFOICMO-IBGZPJMESA-N 1 3 332.875 4.157 20 0 EIADHO COc1ccccc1[C@@H](NCc1ccc2c(c1)C[NH2+]C2)C1CCCC1 ZINC000423373570 1038153450 /nfs/dbraw/zinc/15/34/50/1038153450.db2.gz HRFYEBNQLPZAQV-QFIPXVFZSA-N 1 3 336.479 4.320 20 0 EIADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1csc(-c2ccccc2F)n1 ZINC000423484313 1038259129 /nfs/dbraw/zinc/25/91/29/1038259129.db2.gz QQUFETQSNUWWRW-ZIAGYGMSSA-N 1 3 333.476 4.132 20 0 EIADHO Cc1ccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c(CN(C)C)c1 ZINC000424146066 1038642096 /nfs/dbraw/zinc/64/20/96/1038642096.db2.gz OWSYOHWNEIGEGT-LJQANCHMSA-N 1 3 345.531 4.073 20 0 EIADHO Cc1ccc(CN(C)C)cc1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424148644 1038647954 /nfs/dbraw/zinc/64/79/54/1038647954.db2.gz USSNMGOHKBCTME-IBGZPJMESA-N 1 3 345.531 4.073 20 0 EIADHO CC1CCN(CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424268172 1038763335 /nfs/dbraw/zinc/76/33/35/1038763335.db2.gz ZKXJDEUQELHLJQ-IBGZPJMESA-N 1 3 343.540 4.139 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@@H](C(C)(C)C)C3)CC2)C1 ZINC000539064333 1038809514 /nfs/dbraw/zinc/80/95/14/1038809514.db2.gz AJXYNXNAEJYTCX-RSPOEFSDSA-N 1 3 336.564 4.213 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000539072303 1038821666 /nfs/dbraw/zinc/82/16/66/1038821666.db2.gz PJLGDIXAFNPVBJ-ZNMIVQPWSA-N 1 3 342.886 4.019 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000504905725 1038846502 /nfs/dbraw/zinc/84/65/02/1038846502.db2.gz MWZUXDMIQYEOHG-LSDHHAIUSA-N 1 3 328.422 4.273 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2C)[C@H](C)C1 ZINC000480887605 1038854255 /nfs/dbraw/zinc/85/42/55/1038854255.db2.gz FMIFRNMICOYHPG-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2C)[C@H](C)C1 ZINC000480887605 1038854258 /nfs/dbraw/zinc/85/42/58/1038854258.db2.gz FMIFRNMICOYHPG-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2ccc(Br)cc2)C1 ZINC000481027712 1038970991 /nfs/dbraw/zinc/97/09/91/1038970991.db2.gz WRTCKLVHDILORN-WMLDXEAASA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2ccc(Br)cc2)C1 ZINC000481027712 1038971007 /nfs/dbraw/zinc/97/10/07/1038971007.db2.gz WRTCKLVHDILORN-WMLDXEAASA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035716 1038985111 /nfs/dbraw/zinc/98/51/11/1038985111.db2.gz IGUNJUIRFCEASP-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035716 1038985129 /nfs/dbraw/zinc/98/51/29/1038985129.db2.gz IGUNJUIRFCEASP-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035716 1038985144 /nfs/dbraw/zinc/98/51/44/1038985144.db2.gz IGUNJUIRFCEASP-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000552059528 1039080006 /nfs/dbraw/zinc/08/00/06/1039080006.db2.gz IQRPXOKIBSBCEU-NRFANRHFSA-N 1 3 338.495 4.039 20 0 EIADHO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000552059528 1039080026 /nfs/dbraw/zinc/08/00/26/1039080026.db2.gz IQRPXOKIBSBCEU-NRFANRHFSA-N 1 3 338.495 4.039 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC000481294925 1039232316 /nfs/dbraw/zinc/23/23/16/1039232316.db2.gz MZQGGPMAXWLLAT-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000481322922 1039288975 /nfs/dbraw/zinc/28/89/75/1039288975.db2.gz NYEMHFXCEYJGSL-BFHYXJOUSA-N 1 3 345.314 4.081 20 0 EIADHO CCC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325248 1039296732 /nfs/dbraw/zinc/29/67/32/1039296732.db2.gz VBJJTDJWJMBBMT-WMLDXEAASA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325248 1039296753 /nfs/dbraw/zinc/29/67/53/1039296753.db2.gz VBJJTDJWJMBBMT-WMLDXEAASA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325248 1039296769 /nfs/dbraw/zinc/29/67/69/1039296769.db2.gz VBJJTDJWJMBBMT-WMLDXEAASA-N 1 3 328.422 4.478 20 0 EIADHO c1ccc(CSCCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000534869024 1039821351 /nfs/dbraw/zinc/82/13/51/1039821351.db2.gz QJCYXANTBLRFNH-FQEVSTJZSA-N 1 3 332.557 4.260 20 0 EIADHO Fc1cccc(Cl)c1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958016 1040124400 /nfs/dbraw/zinc/12/44/00/1040124400.db2.gz ATOJIIGSGWWZDV-MQVJKMGUSA-N 1 3 336.882 4.017 20 0 EIADHO Fc1cccc(Cl)c1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958016 1040124421 /nfs/dbraw/zinc/12/44/21/1040124421.db2.gz ATOJIIGSGWWZDV-MQVJKMGUSA-N 1 3 336.882 4.017 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000482434324 1040242507 /nfs/dbraw/zinc/24/25/07/1040242507.db2.gz FNKLMMJLDYXELO-IEBWSBKVSA-N 1 3 326.459 4.041 20 0 EIADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436772 1040244370 /nfs/dbraw/zinc/24/43/70/1040244370.db2.gz JKFZVVXQHNJRHN-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000482436772 1040244388 /nfs/dbraw/zinc/24/43/88/1040244388.db2.gz JKFZVVXQHNJRHN-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436772 1040244404 /nfs/dbraw/zinc/24/44/04/1040244404.db2.gz JKFZVVXQHNJRHN-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000479468651 1040394796 /nfs/dbraw/zinc/39/47/96/1040394796.db2.gz ZFMWULRPQZTNRE-GDBMZVCRSA-N 1 3 348.412 4.277 20 0 EIADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995162 1040407166 /nfs/dbraw/zinc/40/71/66/1040407166.db2.gz FABOVAMCWQDFGN-SESVDKBCSA-N 1 3 342.527 4.374 20 0 EIADHO C[N@H+]1CC=C(CNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000539546792 1040534766 /nfs/dbraw/zinc/53/47/66/1040534766.db2.gz JIJSPFSDDNZYNO-UHFFFAOYSA-N 1 3 334.891 4.013 20 0 EIADHO C[N@@H+]1CC=C(CNCc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000539546792 1040534782 /nfs/dbraw/zinc/53/47/82/1040534782.db2.gz JIJSPFSDDNZYNO-UHFFFAOYSA-N 1 3 334.891 4.013 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@@H](C)C1 ZINC000539835704 1040828201 /nfs/dbraw/zinc/82/82/01/1040828201.db2.gz PAMZFRRVIUKVTQ-LPHOPBHVSA-N 1 3 343.540 4.281 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@@H](C)C1 ZINC000539835704 1040828208 /nfs/dbraw/zinc/82/82/08/1040828208.db2.gz PAMZFRRVIUKVTQ-LPHOPBHVSA-N 1 3 343.540 4.281 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537952086 1040919496 /nfs/dbraw/zinc/91/94/96/1040919496.db2.gz PJKBCEQAMVFONV-PGRDOPGGSA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537952086 1040919521 /nfs/dbraw/zinc/91/95/21/1040919521.db2.gz PJKBCEQAMVFONV-PGRDOPGGSA-N 1 3 338.495 4.004 20 0 EIADHO c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000554373530 1041058804 /nfs/dbraw/zinc/05/88/04/1041058804.db2.gz IBRLNWOXCKKDKT-DETIRCLXSA-N 1 3 338.539 4.177 20 0 EIADHO C[N@@H+]1CCC[C@@H](CNc2ccnc3ccccc32)[C@H]1c1cccs1 ZINC000462880168 1041062639 /nfs/dbraw/zinc/06/26/39/1041062639.db2.gz AYCYIJGZNYDHIW-YWZLYKJASA-N 1 3 337.492 4.213 20 0 EIADHO C[N@H+]1CCC[C@@H](CNc2ccnc3ccccc32)[C@H]1c1cccs1 ZINC000462880168 1041062658 /nfs/dbraw/zinc/06/26/58/1041062658.db2.gz AYCYIJGZNYDHIW-YWZLYKJASA-N 1 3 337.492 4.213 20 0 EIADHO CCCOc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000540170826 1041213849 /nfs/dbraw/zinc/21/38/49/1041213849.db2.gz PQQFQAZQSDWNND-CEXWTWQISA-N 1 3 348.531 4.015 20 0 EIADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000540172347 1041215724 /nfs/dbraw/zinc/21/57/24/1041215724.db2.gz AHHVLYODOODIHU-ZNMIVQPWSA-N 1 3 344.952 4.332 20 0 EIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484476811 1041269657 /nfs/dbraw/zinc/26/96/57/1041269657.db2.gz WPKQSXCAKRUKGY-AEGPPILISA-N 1 3 330.394 4.109 20 0 EIADHO Cc1cccc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463072627 1041317387 /nfs/dbraw/zinc/31/73/87/1041317387.db2.gz RAKDZKVTZMFKDX-CTNGQTDRSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1cccc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463072627 1041317403 /nfs/dbraw/zinc/31/74/03/1041317403.db2.gz RAKDZKVTZMFKDX-CTNGQTDRSA-N 1 3 338.495 4.017 20 0 EIADHO COc1ccccc1[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C1CCCC1 ZINC000540262656 1041328977 /nfs/dbraw/zinc/32/89/77/1041328977.db2.gz DXQNLZNTRCMWPY-QFIPXVFZSA-N 1 3 342.527 4.391 20 0 EIADHO Cc1cccc([C@@H]([NH2+]C[C@H]2CCCN(C)C2)c2cccc(F)c2)c1 ZINC000554725209 1041352133 /nfs/dbraw/zinc/35/21/33/1041352133.db2.gz PPYKYJGZXBXLJN-DYESRHJHSA-N 1 3 326.459 4.155 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000540300729 1041353122 /nfs/dbraw/zinc/35/31/22/1041353122.db2.gz DJGITIQOFVTPBD-IBGZPJMESA-N 1 3 338.923 4.128 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287312957 1041420820 /nfs/dbraw/zinc/42/08/20/1041420820.db2.gz LIMKKRDSAWGCDW-RYRKJORJSA-N 1 3 325.456 4.007 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287312957 1041420826 /nfs/dbraw/zinc/42/08/26/1041420826.db2.gz LIMKKRDSAWGCDW-RYRKJORJSA-N 1 3 325.456 4.007 20 0 EIADHO C[C@H]([NH2+]Cc1cnc(C2CC2)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538704669 1041495410 /nfs/dbraw/zinc/49/54/10/1041495410.db2.gz VTZKZYYHOUOBFC-MAUKXSAKSA-N 1 3 341.524 4.021 20 0 EIADHO C[C@H]([NH2+]Cc1cnc(C2CC2)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000538704672 1041496229 /nfs/dbraw/zinc/49/62/29/1041496229.db2.gz VTZKZYYHOUOBFC-YJBOKZPZSA-N 1 3 341.524 4.021 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000480753975 1041508706 /nfs/dbraw/zinc/50/87/06/1041508706.db2.gz COSKOHGXJMVQEU-PGRDOPGGSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000480753975 1041508716 /nfs/dbraw/zinc/50/87/16/1041508716.db2.gz COSKOHGXJMVQEU-PGRDOPGGSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)c1 ZINC000480753974 1041509566 /nfs/dbraw/zinc/50/95/66/1041509566.db2.gz COSKOHGXJMVQEU-GCJKJVERSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000480753974 1041509579 /nfs/dbraw/zinc/50/95/79/1041509579.db2.gz COSKOHGXJMVQEU-GCJKJVERSA-N 1 3 338.495 4.004 20 0 EIADHO C[C@H]([NH2+]CCCCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000437784864 1041908626 /nfs/dbraw/zinc/90/86/26/1041908626.db2.gz KZZOXKLAYQHDDO-VQTJNVASSA-N 1 3 344.543 4.478 20 0 EIADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000467365301 1042021772 /nfs/dbraw/zinc/02/17/72/1042021772.db2.gz PDSUALYQBJGFJS-XOKHGSTOSA-N 1 3 328.422 4.099 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425945129 1042033437 /nfs/dbraw/zinc/03/34/37/1042033437.db2.gz JOLZMWAQPTXENL-OLZOCXBDSA-N 1 3 335.492 4.106 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168438771 1042065713 /nfs/dbraw/zinc/06/57/13/1042065713.db2.gz ODZJDEQHKCYARD-LEWJYISDSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001168438771 1042065727 /nfs/dbraw/zinc/06/57/27/1042065727.db2.gz ODZJDEQHKCYARD-LEWJYISDSA-N 1 3 330.491 4.023 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCN1 ZINC000414948184 1042335569 /nfs/dbraw/zinc/33/55/69/1042335569.db2.gz LSSXKIUVIMZOES-VZEFYGNVSA-N 1 3 326.406 4.072 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCC2=Cc3ccccc3OC2)c1 ZINC000518272079 1042446089 /nfs/dbraw/zinc/44/60/89/1042446089.db2.gz OFJHWPPDZQDRII-UHFFFAOYSA-N 1 3 336.479 4.094 20 0 EIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(Br)c1 ZINC000173307029 1042563424 /nfs/dbraw/zinc/56/34/24/1042563424.db2.gz UAYWQWZNJMXBNN-AWEZNQCLSA-N 1 3 347.300 4.362 20 0 EIADHO CSc1ccc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000173329627 1042565632 /nfs/dbraw/zinc/56/56/32/1042565632.db2.gz FKUICXMXWLSOQH-INIZCTEOSA-N 1 3 344.524 4.200 20 0 EIADHO c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc(OCC2CCCCC2)c1 ZINC000518767822 1042676995 /nfs/dbraw/zinc/67/69/95/1042676995.db2.gz TUSZRKVKSBEVFJ-HXUWFJFHSA-N 1 3 342.527 4.220 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)C1 ZINC000467388696 1042716375 /nfs/dbraw/zinc/71/63/75/1042716375.db2.gz IFNWEZXRBMULOV-SXLOBPIMSA-N 1 3 329.532 4.128 20 0 EIADHO C[N@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)Cc1ccccc1 ZINC001168004618 1042932110 /nfs/dbraw/zinc/93/21/10/1042932110.db2.gz WQOMWQFIJILJGL-WCRBZPEASA-N 1 3 326.528 4.345 20 0 EIADHO C[N@@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)Cc1ccccc1 ZINC001168004618 1042932121 /nfs/dbraw/zinc/93/21/21/1042932121.db2.gz WQOMWQFIJILJGL-WCRBZPEASA-N 1 3 326.528 4.345 20 0 EIADHO Fc1ccc(C[C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001168005139 1042957773 /nfs/dbraw/zinc/95/77/73/1042957773.db2.gz GPWLLWTUNYLQMQ-CCDCCJRHSA-N 1 3 342.502 4.238 20 0 EIADHO Fc1ccc(C[C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001168005139 1042957780 /nfs/dbraw/zinc/95/77/80/1042957780.db2.gz GPWLLWTUNYLQMQ-CCDCCJRHSA-N 1 3 342.502 4.238 20 0 EIADHO COc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168006342 1043000547 /nfs/dbraw/zinc/00/05/47/1043000547.db2.gz NIDUDXQMYVTUSJ-RMFSNUHRSA-N 1 3 338.495 4.226 20 0 EIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000183192849 1043039907 /nfs/dbraw/zinc/03/99/07/1043039907.db2.gz KIMIAYUJTQNZJD-CDXJDZJCSA-N 1 3 330.516 4.389 20 0 EIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000183192849 1043039911 /nfs/dbraw/zinc/03/99/11/1043039911.db2.gz KIMIAYUJTQNZJD-CDXJDZJCSA-N 1 3 330.516 4.389 20 0 EIADHO Cc1ccnc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008714 1043078381 /nfs/dbraw/zinc/07/83/81/1043078381.db2.gz FVQUSOPOXFIIHG-RCLSDMTESA-N 1 3 337.511 4.482 20 0 EIADHO COCCC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000282320338 1043180970 /nfs/dbraw/zinc/18/09/70/1043180970.db2.gz NOHNIVVNHBYFOS-IBGZPJMESA-N 1 3 336.495 4.146 20 0 EIADHO CCSc1cccc(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000185471018 1043187676 /nfs/dbraw/zinc/18/76/76/1043187676.db2.gz BBMTXTCHDHKDTF-UHFFFAOYSA-N 1 3 344.524 4.029 20 0 EIADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000665249774 1043262907 /nfs/dbraw/zinc/26/29/07/1043262907.db2.gz YVAJOTAPZUHDQC-VXGBXAGGSA-N 1 3 331.287 4.010 20 0 EIADHO C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC001168011831 1043353778 /nfs/dbraw/zinc/35/37/78/1043353778.db2.gz SWLIBAJODVIKML-BMQTXXJKSA-N 1 3 338.495 4.484 20 0 EIADHO C[C@H](NCc1cc2ccccc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000681390517 1043731595 /nfs/dbraw/zinc/73/15/95/1043731595.db2.gz NDKONQWKLCBASK-PXNSSMCTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1cc2ccccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390517 1043731606 /nfs/dbraw/zinc/73/16/06/1043731606.db2.gz NDKONQWKLCBASK-PXNSSMCTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681390517 1043731615 /nfs/dbraw/zinc/73/16/15/1043731615.db2.gz NDKONQWKLCBASK-PXNSSMCTSA-N 1 3 333.479 4.168 20 0 EIADHO Cc1c([C@@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cnn1C(C)C ZINC000191325073 1043808418 /nfs/dbraw/zinc/80/84/18/1043808418.db2.gz OOSJFIPDGVCXJN-QZTJIDSGSA-N 1 3 342.531 4.334 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000195138722 1044027388 /nfs/dbraw/zinc/02/73/88/1044027388.db2.gz DQALDPSPLPZFMJ-ICSRJNTNSA-N 1 3 345.490 4.408 20 0 EIADHO C[C@H]1CC(n2nc(CN)c3ccccc32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015208 1044077195 /nfs/dbraw/zinc/07/71/95/1044077195.db2.gz PNWDVTXTZZQDQT-IRXDYDNUSA-N 1 3 348.494 4.109 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000226313298 1044120966 /nfs/dbraw/zinc/12/09/66/1044120966.db2.gz GMPIIBFRLPIIPQ-AWEZNQCLSA-N 1 3 339.321 4.220 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000675790081 1044501693 /nfs/dbraw/zinc/50/16/93/1044501693.db2.gz RCMADJNBHUDIDA-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000675790081 1044501709 /nfs/dbraw/zinc/50/17/09/1044501709.db2.gz RCMADJNBHUDIDA-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428874924 1044800563 /nfs/dbraw/zinc/80/05/63/1044800563.db2.gz BRWMYPCRECFFOG-CQSZACIVSA-N 1 3 335.492 4.180 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428874924 1044800564 /nfs/dbraw/zinc/80/05/64/1044800564.db2.gz BRWMYPCRECFFOG-CQSZACIVSA-N 1 3 335.492 4.180 20 0 EIADHO Cc1nc(C(C)C)oc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000428292951 1044849198 /nfs/dbraw/zinc/84/91/98/1044849198.db2.gz DJJUHBGLJNDNJW-UHFFFAOYSA-N 1 3 333.520 4.194 20 0 EIADHO CCC[C@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1cccnc1 ZINC000544570185 1044945052 /nfs/dbraw/zinc/94/50/52/1044945052.db2.gz WPZYJFSKSXZZKF-NQIIRXRSSA-N 1 3 325.500 4.423 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347913513 1044998945 /nfs/dbraw/zinc/99/89/45/1044998945.db2.gz AEMWYYDXMLOGKU-QZTJIDSGSA-N 1 3 340.515 4.096 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000347913513 1044998962 /nfs/dbraw/zinc/99/89/62/1044998962.db2.gz AEMWYYDXMLOGKU-QZTJIDSGSA-N 1 3 340.515 4.096 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000611104246 1045250534 /nfs/dbraw/zinc/25/05/34/1045250534.db2.gz PSHBKXVINBBEIP-PMACEKPBSA-N 1 3 340.536 4.289 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000611104246 1045250546 /nfs/dbraw/zinc/25/05/46/1045250546.db2.gz PSHBKXVINBBEIP-PMACEKPBSA-N 1 3 340.536 4.289 20 0 EIADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236701520 1045364056 /nfs/dbraw/zinc/36/40/56/1045364056.db2.gz NCNAKZCMSKCHLL-OWFGXHLJSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236701520 1045364061 /nfs/dbraw/zinc/36/40/61/1045364061.db2.gz NCNAKZCMSKCHLL-OWFGXHLJSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000236701520 1045364067 /nfs/dbraw/zinc/36/40/67/1045364067.db2.gz NCNAKZCMSKCHLL-OWFGXHLJSA-N 1 3 334.507 4.244 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(F)c1 ZINC000398050260 1045826979 /nfs/dbraw/zinc/82/69/79/1045826979.db2.gz XICDCJDPPBXVGM-FIKGOQFSSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(F)c1 ZINC000398050260 1045826982 /nfs/dbraw/zinc/82/69/82/1045826982.db2.gz XICDCJDPPBXVGM-FIKGOQFSSA-N 1 3 326.459 4.387 20 0 EIADHO CC[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnn(C)c1 ZINC000247164406 1045843614 /nfs/dbraw/zinc/84/36/14/1045843614.db2.gz UJLZUMHKENOZQR-DYESRHJHSA-N 1 3 340.515 4.035 20 0 EIADHO CC[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnn(C)c1 ZINC000247164406 1045843617 /nfs/dbraw/zinc/84/36/17/1045843617.db2.gz UJLZUMHKENOZQR-DYESRHJHSA-N 1 3 340.515 4.035 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ccc(O)cc3)cc2)C1 ZINC000237471913 1046103518 /nfs/dbraw/zinc/10/35/18/1046103518.db2.gz UEEOZPLUKWFLFZ-QZTJIDSGSA-N 1 3 338.495 4.160 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3cc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379618868 1046710802 /nfs/dbraw/zinc/71/08/02/1046710802.db2.gz AULDSWBTRGOMNB-DYESRHJHSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3cc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000379618868 1046710817 /nfs/dbraw/zinc/71/08/17/1046710817.db2.gz AULDSWBTRGOMNB-DYESRHJHSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@@H](NCCSc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379633873 1046733442 /nfs/dbraw/zinc/73/34/42/1046733442.db2.gz URYGALTTXQCGGD-ICSRJNTNSA-N 1 3 340.536 4.421 20 0 EIADHO C[C@H]1C[C@@H](NCCSc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379633873 1046733457 /nfs/dbraw/zinc/73/34/57/1046733457.db2.gz URYGALTTXQCGGD-ICSRJNTNSA-N 1 3 340.536 4.421 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(F)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644805 1046739165 /nfs/dbraw/zinc/73/91/65/1046739165.db2.gz CPYLNOWWZTYXQS-QGCDCVKKSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(F)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644805 1046739184 /nfs/dbraw/zinc/73/91/84/1046739184.db2.gz CPYLNOWWZTYXQS-QGCDCVKKSA-N 1 3 338.470 4.456 20 0 EIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000459660682 1046844198 /nfs/dbraw/zinc/84/41/98/1046844198.db2.gz OVCAEAKRHNNHDF-UHFFFAOYSA-N 1 3 342.531 4.103 20 0 EIADHO Clc1ccc2c(n1)CC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000806128395 1047153623 /nfs/dbraw/zinc/15/36/23/1047153623.db2.gz QSSBCYQLDDGBII-SFHVURJKSA-N 1 3 341.886 4.108 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000788482683 1047213305 /nfs/dbraw/zinc/21/33/05/1047213305.db2.gz QLFJBWRDWADLMA-ROUUACIJSA-N 1 3 338.561 4.148 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887851 1048101774 /nfs/dbraw/zinc/10/17/74/1048101774.db2.gz MGQXTUWWPAZQGA-YTQUADARSA-N 1 3 334.454 4.065 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887851 1048101785 /nfs/dbraw/zinc/10/17/85/1048101785.db2.gz MGQXTUWWPAZQGA-YTQUADARSA-N 1 3 334.454 4.065 20 0 EIADHO Cc1nc2ccc(CN(C)Cc3ccc(C[NH+](C)C)cc3)cc2s1 ZINC000809737010 1048509942 /nfs/dbraw/zinc/50/99/42/1048509942.db2.gz BDGRFIIHSKHIOT-UHFFFAOYSA-N 1 3 339.508 4.298 20 0 EIADHO CN(C/C=C\c1ccc(F)c(F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738809 1048513845 /nfs/dbraw/zinc/51/38/45/1048513845.db2.gz KTNCHWGXUACSFM-PLNGDYQASA-N 1 3 330.422 4.172 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000815574886 1048538791 /nfs/dbraw/zinc/53/87/91/1048538791.db2.gz GCAOCGSDXIXNCY-KRWDZBQOSA-N 1 3 344.474 4.315 20 0 EIADHO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CCCCCC[NH3+] ZINC000846219420 1048844000 /nfs/dbraw/zinc/84/40/00/1048844000.db2.gz QLOXHHPYNDYYQU-MRXNPFEDSA-N 1 3 340.943 4.157 20 0 EIADHO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(CN(CC)CC)c2)CCO1 ZINC000817586687 1049017926 /nfs/dbraw/zinc/01/79/26/1049017926.db2.gz QCCWXQRRBTVELF-FFZOFVMBSA-N 1 3 348.531 4.145 20 0 EIADHO [NH3+][C@H]1CCC[C@@H]1NCCCN1c2ccccc2Sc2ccccc21 ZINC000817912693 1049058368 /nfs/dbraw/zinc/05/83/68/1049058368.db2.gz RDJXATOOSPLVSU-HOTGVXAUSA-N 1 3 339.508 4.149 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000817912512 1049059668 /nfs/dbraw/zinc/05/96/68/1049059668.db2.gz VHKANXZUNWIEED-UYBVGCJSSA-N 1 3 334.463 4.080 20 0 EIADHO [NH3+]CCc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000817947341 1049064508 /nfs/dbraw/zinc/06/45/08/1049064508.db2.gz CMVHMMDVNUMMNG-NRFANRHFSA-N 1 3 326.459 4.348 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1(C)C ZINC001170908928 1049176617 /nfs/dbraw/zinc/17/66/17/1049176617.db2.gz RANFQHXZUSOCBB-HNNXBMFYSA-N 1 3 334.935 4.438 20 0 EIADHO NC1(c2ccccc2)CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170911154 1049185703 /nfs/dbraw/zinc/18/57/03/1049185703.db2.gz UDJHERJZCDKWJE-SFHVURJKSA-N 1 3 340.898 4.147 20 0 EIADHO Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000820807865 1049553425 /nfs/dbraw/zinc/55/34/25/1049553425.db2.gz SLJHQHGLYBTXAI-MGPUTAFESA-N 1 3 344.886 4.291 20 0 EIADHO Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000820807867 1049555639 /nfs/dbraw/zinc/55/56/39/1049555639.db2.gz SLJHQHGLYBTXAI-YWZLYKJASA-N 1 3 344.886 4.291 20 0 EIADHO CCCCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000773069304 1049565638 /nfs/dbraw/zinc/56/56/38/1049565638.db2.gz NXNBSPAQALVQKW-BHDDXSALSA-N 1 3 344.543 4.275 20 0 EIADHO FC1(F)CCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716704541 1049704381 /nfs/dbraw/zinc/70/43/81/1049704381.db2.gz GIHUGJXMZINIDQ-VJANTYMQSA-N 1 3 334.454 4.065 20 0 EIADHO Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001171486351 1049716333 /nfs/dbraw/zinc/71/63/33/1049716333.db2.gz BPLIABWPBCWRNO-OALUTQOASA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001171486351 1049716346 /nfs/dbraw/zinc/71/63/46/1049716346.db2.gz BPLIABWPBCWRNO-OALUTQOASA-N 1 3 348.481 4.163 20 0 EIADHO C[NH+]1CCC(CN[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000813325614 1049745724 /nfs/dbraw/zinc/74/57/24/1049745724.db2.gz HRCHXBQKMLNIJD-KRWDZBQOSA-N 1 3 327.299 4.376 20 0 EIADHO CN1C(C)(C)CC([NH2+]CC2(Cc3ccccc3F)CC2)CC1(C)C ZINC001171630963 1049761450 /nfs/dbraw/zinc/76/14/50/1049761450.db2.gz SCGLCPPKZKZFIU-UHFFFAOYSA-N 1 3 332.507 4.389 20 0 EIADHO C[NH+]1C(C)(C)CC(NCCc2c(F)cccc2Cl)CC1(C)C ZINC001171614385 1049765840 /nfs/dbraw/zinc/76/58/40/1049765840.db2.gz YQWIXRUEJZNQPC-UHFFFAOYSA-N 1 3 326.887 4.263 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1(C)C ZINC001171623517 1049768277 /nfs/dbraw/zinc/76/82/77/1049768277.db2.gz BBPMIHPIVKJVTA-HXUWFJFHSA-N 1 3 344.543 4.395 20 0 EIADHO C[NH+]1C(C)(C)CC(N[C@H](c2ccccc2)C2CCOCC2)CC1(C)C ZINC001171623517 1049768286 /nfs/dbraw/zinc/76/82/86/1049768286.db2.gz BBPMIHPIVKJVTA-HXUWFJFHSA-N 1 3 344.543 4.395 20 0 EIADHO Fc1cccc2c1C[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001170997065 1049808211 /nfs/dbraw/zinc/80/82/11/1049808211.db2.gz QMHYUUJDASMPIQ-OALUTQOASA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1C[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001170997065 1049808214 /nfs/dbraw/zinc/80/82/14/1049808214.db2.gz QMHYUUJDASMPIQ-OALUTQOASA-N 1 3 330.491 4.023 20 0 EIADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172061316 1049841967 /nfs/dbraw/zinc/84/19/67/1049841967.db2.gz GAZHKSJMZBEVGU-KOUNCHBCSA-N 1 3 335.495 4.065 20 0 EIADHO Cc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172064426 1049851209 /nfs/dbraw/zinc/85/12/09/1049851209.db2.gz FWAARLMTZRFKDY-KOUNCHBCSA-N 1 3 335.495 4.065 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1(C)C ZINC001171021344 1049861052 /nfs/dbraw/zinc/86/10/52/1049861052.db2.gz BGYRGBYOJJKIQK-HNNXBMFYSA-N 1 3 334.935 4.438 20 0 EIADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC001172836812 1050171834 /nfs/dbraw/zinc/17/18/34/1050171834.db2.gz HSJWYIQHWMTHHZ-OAHLLOKOSA-N 1 3 326.887 4.122 20 0 EIADHO C[C@H](Cc1c(F)cccc1Cl)NCCC[NH+]1CCC(C)CC1 ZINC001172836812 1050171848 /nfs/dbraw/zinc/17/18/48/1050171848.db2.gz HSJWYIQHWMTHHZ-OAHLLOKOSA-N 1 3 326.887 4.122 20 0 EIADHO C[C@@H]1CCC[N@H+](CCCCNCc2c(Cl)cccc2N(C)C)C1 ZINC001177299709 1050179517 /nfs/dbraw/zinc/17/95/17/1050179517.db2.gz ZTVCSEKEBQDAAK-MRXNPFEDSA-N 1 3 337.939 4.008 20 0 EIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2c(Cl)cccc2N(C)C)C1 ZINC001177299709 1050179522 /nfs/dbraw/zinc/17/95/22/1050179522.db2.gz ZTVCSEKEBQDAAK-MRXNPFEDSA-N 1 3 337.939 4.008 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC001177299555 1050180385 /nfs/dbraw/zinc/18/03/85/1050180385.db2.gz VJZFILAIVUSLGC-CQSZACIVSA-N 1 3 344.421 4.171 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC001177299555 1050180390 /nfs/dbraw/zinc/18/03/90/1050180390.db2.gz VJZFILAIVUSLGC-CQSZACIVSA-N 1 3 344.421 4.171 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+]Cc3cccc4ccccc43)C2)cc1 ZINC001177668927 1050275031 /nfs/dbraw/zinc/27/50/31/1050275031.db2.gz KKSRWJJZCJEDFP-NRFANRHFSA-N 1 3 344.502 4.494 20 0 EIADHO c1ccc(CC[N@@H+]2CC[C@@H](CNCc3cccc4ccccc43)C2)cc1 ZINC001177668927 1050275036 /nfs/dbraw/zinc/27/50/36/1050275036.db2.gz KKSRWJJZCJEDFP-NRFANRHFSA-N 1 3 344.502 4.494 20 0 EIADHO c1ccc(CC[N@H+]2CC[C@@H](CNCc3cccc4ccccc43)C2)cc1 ZINC001177668927 1050275038 /nfs/dbraw/zinc/27/50/38/1050275038.db2.gz KKSRWJJZCJEDFP-NRFANRHFSA-N 1 3 344.502 4.494 20 0 EIADHO COc1cc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc2ccccc21 ZINC001177823491 1050298505 /nfs/dbraw/zinc/29/85/05/1050298505.db2.gz VELWUQKCZMWDFK-FQEVSTJZSA-N 1 3 328.500 4.304 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2c1CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001178331332 1050436427 /nfs/dbraw/zinc/43/64/27/1050436427.db2.gz QCNMOXNMEMRELY-AVRDEDQJSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@H](NCc1cccc2c1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178331332 1050436435 /nfs/dbraw/zinc/43/64/35/1050436435.db2.gz QCNMOXNMEMRELY-AVRDEDQJSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@H](NCc1cccc2c1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178331332 1050436440 /nfs/dbraw/zinc/43/64/40/1050436440.db2.gz QCNMOXNMEMRELY-AVRDEDQJSA-N 1 3 334.507 4.176 20 0 EIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685331 1050539002 /nfs/dbraw/zinc/53/90/02/1050539002.db2.gz RUYBEULXGYOPCW-FGNUKQJGSA-N 1 3 326.528 4.276 20 0 EIADHO CC[NH+](CC)CC[C@H](N[C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccccc1 ZINC001179805562 1050783607 /nfs/dbraw/zinc/78/36/07/1050783607.db2.gz KBJKKAICFGUQIW-MBDNFAEBSA-N 1 3 344.543 4.254 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]CCc2ccco2)cc1CN1CCCCC1 ZINC000775367156 1051136607 /nfs/dbraw/zinc/13/66/07/1051136607.db2.gz WQWLIHCANQXWAW-QGZVFWFLSA-N 1 3 342.483 4.167 20 0 EIADHO C[C@@H](CNC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276060 1051196008 /nfs/dbraw/zinc/19/60/08/1051196008.db2.gz IKTYXRWDARYOQY-MGPUTAFESA-N 1 3 336.470 4.455 20 0 EIADHO C[C@@H](CNC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276060 1051196014 /nfs/dbraw/zinc/19/60/14/1051196014.db2.gz IKTYXRWDARYOQY-MGPUTAFESA-N 1 3 336.470 4.455 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)ccc1OC ZINC000775402070 1051235664 /nfs/dbraw/zinc/23/56/64/1051235664.db2.gz YQIDAHJZTHNQGC-OKZBNKHCSA-N 1 3 348.531 4.003 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(C3CC3)CC2)ccc1OC ZINC000775416795 1051291953 /nfs/dbraw/zinc/29/19/53/1051291953.db2.gz RLMPKXVCDOLEEZ-INIZCTEOSA-N 1 3 330.516 4.378 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158142361 1051719146 /nfs/dbraw/zinc/71/91/46/1051719146.db2.gz BJFQOAQJUJBIEY-MSOLQXFVSA-N 1 3 338.495 4.355 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158142361 1051719164 /nfs/dbraw/zinc/71/91/64/1051719164.db2.gz BJFQOAQJUJBIEY-MSOLQXFVSA-N 1 3 338.495 4.355 20 0 EIADHO Cc1cc(C)cc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716715829 1051832290 /nfs/dbraw/zinc/83/22/90/1051832290.db2.gz YCFMFOGATKESSX-VABKMULXSA-N 1 3 334.507 4.446 20 0 EIADHO Cc1cc(C)cc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000716715829 1051832301 /nfs/dbraw/zinc/83/23/01/1051832301.db2.gz YCFMFOGATKESSX-VABKMULXSA-N 1 3 334.507 4.446 20 0 EIADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000165190220 1052053481 /nfs/dbraw/zinc/05/34/81/1052053481.db2.gz RKHRSIUAYGPWLC-IBGZPJMESA-N 1 3 344.524 4.246 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000179598258 1052743514 /nfs/dbraw/zinc/74/35/14/1052743514.db2.gz QWFCCIPQIIGIAQ-CSMYWGQOSA-N 1 3 326.406 4.229 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000179598258 1052743519 /nfs/dbraw/zinc/74/35/19/1052743519.db2.gz QWFCCIPQIIGIAQ-CSMYWGQOSA-N 1 3 326.406 4.229 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000623866513 1052825212 /nfs/dbraw/zinc/82/52/12/1052825212.db2.gz YQOTVWTZTDGIBY-IZBJGVDFSA-N 1 3 348.531 4.445 20 0 EIADHO Fc1ccc(S[C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000623866513 1052825214 /nfs/dbraw/zinc/82/52/14/1052825214.db2.gz YQOTVWTZTDGIBY-IZBJGVDFSA-N 1 3 348.531 4.445 20 0 EIADHO Cc1csc([C@H](C)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000623924195 1052838977 /nfs/dbraw/zinc/83/89/77/1052838977.db2.gz VLRCZIRXESRYOW-AOIWGVFYSA-N 1 3 343.540 4.403 20 0 EIADHO Cc1csc([C@H](C)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000623924195 1052838981 /nfs/dbraw/zinc/83/89/81/1052838981.db2.gz VLRCZIRXESRYOW-AOIWGVFYSA-N 1 3 343.540 4.403 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000383360173 1053328670 /nfs/dbraw/zinc/32/86/70/1053328670.db2.gz SHQAORAQKSFPSW-WBVHZDCISA-N 1 3 330.422 4.138 20 0 EIADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000383543026 1053353478 /nfs/dbraw/zinc/35/34/78/1053353478.db2.gz UXPFVLFNVNGUBZ-FUHIMQAGSA-N 1 3 326.484 4.458 20 0 EIADHO CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000385805309 1053549629 /nfs/dbraw/zinc/54/96/29/1053549629.db2.gz NHLNJVUOKPDENL-WIYYLYMNSA-N 1 3 338.495 4.086 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866239245 1053661365 /nfs/dbraw/zinc/66/13/65/1053661365.db2.gz RYYFKZPLNXNRRL-LBPRGKRZSA-N 1 3 333.863 4.006 20 0 EIADHO CC(C)[C@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1ccccn1 ZINC000866247031 1053662573 /nfs/dbraw/zinc/66/25/73/1053662573.db2.gz QHTYVMMTLAXZDL-NRFANRHFSA-N 1 3 325.500 4.409 20 0 EIADHO CC(C)[C@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccn1 ZINC000866247031 1053662577 /nfs/dbraw/zinc/66/25/77/1053662577.db2.gz QHTYVMMTLAXZDL-NRFANRHFSA-N 1 3 325.500 4.409 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441166 1053728626 /nfs/dbraw/zinc/72/86/26/1053728626.db2.gz PULPQTXNCZANRX-SIKLNZKXSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441166 1053728648 /nfs/dbraw/zinc/72/86/48/1053728648.db2.gz PULPQTXNCZANRX-SIKLNZKXSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)(C)[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC001198799941 1054272940 /nfs/dbraw/zinc/27/29/40/1054272940.db2.gz GFCOXHSTTMXWMR-NRFANRHFSA-N 1 3 344.543 4.310 20 0 EIADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2ncc(Cl)s2)CC1 ZINC000872111750 1054392258 /nfs/dbraw/zinc/39/22/58/1054392258.db2.gz DLFDQVVHOGRMCA-UHFFFAOYSA-N 1 3 349.931 4.329 20 0 EIADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2ncc(Cl)s2)CC1 ZINC000872111750 1054392261 /nfs/dbraw/zinc/39/22/61/1054392261.db2.gz DLFDQVVHOGRMCA-UHFFFAOYSA-N 1 3 349.931 4.329 20 0 EIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC001199842994 1054477153 /nfs/dbraw/zinc/47/71/53/1054477153.db2.gz LSKXXRUTHVZTEX-LJQANCHMSA-N 1 3 339.483 4.004 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC000624331991 1054569834 /nfs/dbraw/zinc/56/98/34/1054569834.db2.gz OZWAQVXBCNVHSK-UHFFFAOYSA-N 1 3 333.907 4.216 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000878412323 1055301329 /nfs/dbraw/zinc/30/13/29/1055301329.db2.gz VTUBIBLKFRGRRY-XODARUQUSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412323 1055301346 /nfs/dbraw/zinc/30/13/46/1055301346.db2.gz VTUBIBLKFRGRRY-XODARUQUSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412323 1055301364 /nfs/dbraw/zinc/30/13/64/1055301364.db2.gz VTUBIBLKFRGRRY-XODARUQUSA-N 1 3 342.527 4.149 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000388244820 1060275777 /nfs/dbraw/zinc/27/57/77/1060275777.db2.gz FRQWUVJKBABADU-NRFANRHFSA-N 1 3 345.490 4.237 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@@H](CNCc3ccc4cnccc4c3)C2)cc1 ZINC000388244820 1060275809 /nfs/dbraw/zinc/27/58/09/1060275809.db2.gz FRQWUVJKBABADU-NRFANRHFSA-N 1 3 345.490 4.237 20 0 EIADHO CC[NH+]1CCC(N2CCSC[C@H]2c2cccc3ccccc32)CC1 ZINC001169265438 1060712449 /nfs/dbraw/zinc/71/24/49/1060712449.db2.gz WXYVSDYYNHCIKG-NRFANRHFSA-N 1 3 340.536 4.414 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000532211061 1032091058 /nfs/dbraw/zinc/09/10/58/1032091058.db2.gz JTGSBLUXXDKJFN-HXUWFJFHSA-N 1 3 344.886 4.058 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000532214758 1032094748 /nfs/dbraw/zinc/09/47/48/1032094748.db2.gz LCFFWJGJKWZARJ-CABCVRRESA-N 1 3 339.321 4.220 20 0 EIADHO Cc1ccnc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503719 1032415734 /nfs/dbraw/zinc/41/57/34/1032415734.db2.gz XKQUPZFVWOQRHZ-KSSFIOAISA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503719 1032415737 /nfs/dbraw/zinc/41/57/37/1032415737.db2.gz XKQUPZFVWOQRHZ-KSSFIOAISA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccnc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503719 1032415740 /nfs/dbraw/zinc/41/57/40/1032415740.db2.gz XKQUPZFVWOQRHZ-KSSFIOAISA-N 1 3 333.838 4.287 20 0 EIADHO CCCC[C@H](CC)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000438100200 1032729105 /nfs/dbraw/zinc/72/91/05/1032729105.db2.gz BYRUVWBJORAZKX-FQEVSTJZSA-N 1 3 337.596 4.083 20 0 EIADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548980 1018933437 /nfs/dbraw/zinc/93/34/37/1018933437.db2.gz YMLFKCHVMASXPX-RHSMWYFYSA-N 1 3 340.433 4.291 20 0 EIADHO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1ccncc1F ZINC000340478325 1021097900 /nfs/dbraw/zinc/09/79/00/1021097900.db2.gz IXEKSDIOGODYNL-HZPDHXFCSA-N 1 3 327.447 4.097 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000683766380 1021394239 /nfs/dbraw/zinc/39/42/39/1021394239.db2.gz VZGJDEWXABRTKB-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000683766380 1021394260 /nfs/dbraw/zinc/39/42/60/1021394260.db2.gz VZGJDEWXABRTKB-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379632393 1021845856 /nfs/dbraw/zinc/84/58/56/1021845856.db2.gz SLGCWNOGMCOFDO-UTKZUKDTSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379632393 1021845857 /nfs/dbraw/zinc/84/58/57/1021845857.db2.gz SLGCWNOGMCOFDO-UTKZUKDTSA-N 1 3 333.479 4.311 20 0 EIADHO COc1cccc(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000089622956 1022222018 /nfs/dbraw/zinc/22/20/18/1022222018.db2.gz AXMAWBOUPUCTCF-QGZVFWFLSA-N 1 3 330.516 4.013 20 0 EIADHO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310846192 1022647755 /nfs/dbraw/zinc/64/77/55/1022647755.db2.gz IKTMIQOSVWWJRU-TZIWHRDSSA-N 1 3 340.511 4.493 20 0 EIADHO c1sc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000647542956 1022779065 /nfs/dbraw/zinc/77/90/65/1022779065.db2.gz FGGLESDVRQDVKT-ZWKOTPCHSA-N 1 3 341.524 4.022 20 0 EIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000378407957 1022805827 /nfs/dbraw/zinc/80/58/27/1022805827.db2.gz YRZPDMJZTKPXAI-WOJBJXKFSA-N 1 3 336.564 4.214 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCc3nc(C)sc32)c1 ZINC000163563951 1022895703 /nfs/dbraw/zinc/89/57/03/1022895703.db2.gz BUAOZLZYUOKBGH-GOSISDBHSA-N 1 3 343.540 4.461 20 0 EIADHO [NH3+]CCC[C@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1 ZINC000423495665 1022925439 /nfs/dbraw/zinc/92/54/39/1022925439.db2.gz CKEUZKPUJXUXIN-ROUUACIJSA-N 1 3 330.472 4.432 20 0 EIADHO [NH3+]CCC[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1 ZINC000423495666 1022926342 /nfs/dbraw/zinc/92/63/42/1022926342.db2.gz CKEUZKPUJXUXIN-ZWKOTPCHSA-N 1 3 330.472 4.432 20 0 EIADHO C[C@]1(CNCc2cccc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000311500132 1023183943 /nfs/dbraw/zinc/18/39/43/1023183943.db2.gz LMMPOMBCRCKVIE-HSZRJFAPSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@]1(CNCc2cccc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000311500132 1023183972 /nfs/dbraw/zinc/18/39/72/1023183972.db2.gz LMMPOMBCRCKVIE-HSZRJFAPSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@@]1(CNCc2cccc3cccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000311500133 1023184338 /nfs/dbraw/zinc/18/43/38/1023184338.db2.gz LMMPOMBCRCKVIE-QHCPKHFHSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@@]1(CNCc2cccc3cccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000311500133 1023184340 /nfs/dbraw/zinc/18/43/40/1023184340.db2.gz LMMPOMBCRCKVIE-QHCPKHFHSA-N 1 3 345.490 4.237 20 0 EIADHO c1ccc(C[N@H+]2CC[C@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672597 1023255000 /nfs/dbraw/zinc/25/50/00/1023255000.db2.gz OJELGPNBPZUIOD-KNQAVFIVSA-N 1 3 335.495 4.035 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672597 1023255008 /nfs/dbraw/zinc/25/50/08/1023255008.db2.gz OJELGPNBPZUIOD-KNQAVFIVSA-N 1 3 335.495 4.035 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347040 1023273634 /nfs/dbraw/zinc/27/36/34/1023273634.db2.gz VOFFRVCFZYDUPB-JZFYCYHFSA-N 1 3 332.557 4.483 20 0 EIADHO [NH3+]CCC[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000415060280 1023411633 /nfs/dbraw/zinc/41/16/33/1023411633.db2.gz WEEJOQAXHZUWRU-KRWDZBQOSA-N 1 3 340.364 4.414 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000656684046 1023440614 /nfs/dbraw/zinc/44/06/14/1023440614.db2.gz SPPHYPUKNQKGQJ-OAQYLSRUSA-N 1 3 341.474 4.174 20 0 EIADHO Cc1ccc(C)c(OC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)c1 ZINC000472759386 1023511433 /nfs/dbraw/zinc/51/14/33/1023511433.db2.gz KSDKAWSCMDLUBD-IBGZPJMESA-N 1 3 330.516 4.021 20 0 EIADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118180 1023515449 /nfs/dbraw/zinc/51/54/49/1023515449.db2.gz SNSVTIFQPIFYKD-UWWQBHOKSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118180 1023515466 /nfs/dbraw/zinc/51/54/66/1023515466.db2.gz SNSVTIFQPIFYKD-UWWQBHOKSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118179 1023516132 /nfs/dbraw/zinc/51/61/32/1023516132.db2.gz SNSVTIFQPIFYKD-QGPMSJSTSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(C(F)(F)F)cc1 ZINC000500118179 1023516140 /nfs/dbraw/zinc/51/61/40/1023516140.db2.gz SNSVTIFQPIFYKD-QGPMSJSTSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000398097548 1023684280 /nfs/dbraw/zinc/68/42/80/1023684280.db2.gz KWUSLTALRXMGNE-JXFKEZNVSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000398097548 1023684284 /nfs/dbraw/zinc/68/42/84/1023684284.db2.gz KWUSLTALRXMGNE-JXFKEZNVSA-N 1 3 328.887 4.340 20 0 EIADHO CCCN1CCC([N@H+](C)Cc2ccc(C)c(Br)c2)CC1 ZINC000510468265 1023758656 /nfs/dbraw/zinc/75/86/56/1023758656.db2.gz ZEWYSGXWTKWYFK-UHFFFAOYSA-N 1 3 339.321 4.064 20 0 EIADHO CCCN1CCC([N@@H+](C)Cc2ccc(C)c(Br)c2)CC1 ZINC000510468265 1023758666 /nfs/dbraw/zinc/75/86/66/1023758666.db2.gz ZEWYSGXWTKWYFK-UHFFFAOYSA-N 1 3 339.321 4.064 20 0 EIADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000500420900 1023814748 /nfs/dbraw/zinc/81/47/48/1023814748.db2.gz LYNUFAJNEXCBOS-RBFDBLARSA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000500420900 1023814751 /nfs/dbraw/zinc/81/47/51/1023814751.db2.gz LYNUFAJNEXCBOS-RBFDBLARSA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000500420900 1023814753 /nfs/dbraw/zinc/81/47/53/1023814753.db2.gz LYNUFAJNEXCBOS-RBFDBLARSA-N 1 3 340.433 4.430 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc3ccsc32)[C@H](C)C1 ZINC000652219682 1024390939 /nfs/dbraw/zinc/39/09/39/1024390939.db2.gz IJVSXDVMIVFHGP-VQIMIIECSA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc3ccsc32)[C@H](C)C1 ZINC000652219682 1024390962 /nfs/dbraw/zinc/39/09/62/1024390962.db2.gz IJVSXDVMIVFHGP-VQIMIIECSA-N 1 3 346.540 4.128 20 0 EIADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1C(F)(F)F ZINC000662281305 1025033386 /nfs/dbraw/zinc/03/33/86/1025033386.db2.gz JDZZGIZXERBXFK-ZDUSSCGKSA-N 1 3 334.385 4.202 20 0 EIADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CCS2 ZINC000187029163 1025168804 /nfs/dbraw/zinc/16/88/04/1025168804.db2.gz XRWNHAUAWVVWOU-IBGZPJMESA-N 1 3 330.541 4.304 20 0 EIADHO CC(C)n1c2ccccc2nc1[C@H]1CCCN1CC1CC[NH+](C)CC1 ZINC000892034303 1025453203 /nfs/dbraw/zinc/45/32/03/1025453203.db2.gz LUSDRTKUXYCPCT-HXUWFJFHSA-N 1 3 340.515 4.096 20 0 EIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000156750667 1025599568 /nfs/dbraw/zinc/59/95/68/1025599568.db2.gz KONLRZOCZDDPFA-IAGOWNOFSA-N 1 3 330.516 4.184 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001167833329 1025788739 /nfs/dbraw/zinc/78/87/39/1025788739.db2.gz AFRDRCNGTCXCIM-QFBILLFUSA-N 1 3 338.536 4.426 20 0 EIADHO Cc1ccc2cc(CNCc3cccc(C[NH+]4CCCC4)c3)[nH]c2c1 ZINC000657300098 1025803413 /nfs/dbraw/zinc/80/34/13/1025803413.db2.gz IGAMSYXWMGSNOE-UHFFFAOYSA-N 1 3 333.479 4.362 20 0 EIADHO c1c2ccncc2sc1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000657301008 1025814267 /nfs/dbraw/zinc/81/42/67/1025814267.db2.gz XWIJRCYQQNRRMA-UHFFFAOYSA-N 1 3 337.492 4.182 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001167835856 1025839333 /nfs/dbraw/zinc/83/93/33/1025839333.db2.gz URHYHUJXAIJPTP-RBUKOAKNSA-N 1 3 349.538 4.015 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412827 1025882023 /nfs/dbraw/zinc/88/20/23/1025882023.db2.gz DFSVODUAQGEHCK-UONOGXRCSA-N 1 3 345.314 4.145 20 0 EIADHO CC[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000187789546 1025901463 /nfs/dbraw/zinc/90/14/63/1025901463.db2.gz WGTSPSBRRWYMMG-FQEVSTJZSA-N 1 3 330.447 4.007 20 0 EIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCC(C)(C)C1CC1)c1ccccc1O2 ZINC000582068794 1026067212 /nfs/dbraw/zinc/06/72/12/1026067212.db2.gz FLESHDBSMFQNKN-IBGZPJMESA-N 1 3 342.527 4.391 20 0 EIADHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(C)c1O ZINC000582089682 1026117459 /nfs/dbraw/zinc/11/74/59/1026117459.db2.gz QUHZQEVTWLRUNR-IEBWSBKVSA-N 1 3 344.524 4.243 20 0 EIADHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(C)c1O ZINC000582089682 1026117466 /nfs/dbraw/zinc/11/74/66/1026117466.db2.gz QUHZQEVTWLRUNR-IEBWSBKVSA-N 1 3 344.524 4.243 20 0 EIADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000049553336 1026296591 /nfs/dbraw/zinc/29/65/91/1026296591.db2.gz AKTJXCCZSDTAAT-VXGBXAGGSA-N 1 3 339.277 4.186 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC000506860103 1026478730 /nfs/dbraw/zinc/47/87/30/1026478730.db2.gz HLPFJVXTXHENLW-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC000506860103 1026478736 /nfs/dbraw/zinc/47/87/36/1026478736.db2.gz HLPFJVXTXHENLW-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO CSc1ccccc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000511109687 1026552744 /nfs/dbraw/zinc/55/27/44/1026552744.db2.gz KTUOCXYYNOQGPZ-LJQANCHMSA-N 1 3 340.536 4.362 20 0 EIADHO CSc1ccccc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000511109687 1026552749 /nfs/dbraw/zinc/55/27/49/1026552749.db2.gz KTUOCXYYNOQGPZ-LJQANCHMSA-N 1 3 340.536 4.362 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2cccc3ccccc32)C[C@H]1C ZINC001167589380 1026860131 /nfs/dbraw/zinc/86/01/31/1026860131.db2.gz DKKYOBPXNIBJDQ-QUCCMNQESA-N 1 3 340.511 4.413 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)CCCOc2cccc3ccccc32)C[C@H]1C ZINC001167589380 1026860140 /nfs/dbraw/zinc/86/01/40/1026860140.db2.gz DKKYOBPXNIBJDQ-QUCCMNQESA-N 1 3 340.511 4.413 20 0 EIADHO Cc1cccc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235518 1027277600 /nfs/dbraw/zinc/27/76/00/1027277600.db2.gz IGWLDHHJQLDERW-KBXCAEBGSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1cccc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235518 1027277615 /nfs/dbraw/zinc/27/76/15/1027277615.db2.gz IGWLDHHJQLDERW-KBXCAEBGSA-N 1 3 333.838 4.287 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000280803816 1027895064 /nfs/dbraw/zinc/89/50/64/1027895064.db2.gz LBRWSLUVFNRDMD-DDBAPUKQSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000280803816 1027895074 /nfs/dbraw/zinc/89/50/74/1027895074.db2.gz LBRWSLUVFNRDMD-DDBAPUKQSA-N 1 3 338.417 4.168 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281095770 1028374146 /nfs/dbraw/zinc/37/41/46/1028374146.db2.gz AXEQVDAVSVKPNN-NRFANRHFSA-N 1 3 341.474 4.302 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000281095770 1028374165 /nfs/dbraw/zinc/37/41/65/1028374165.db2.gz AXEQVDAVSVKPNN-NRFANRHFSA-N 1 3 341.474 4.302 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281148779 1028399379 /nfs/dbraw/zinc/39/93/79/1028399379.db2.gz GKYZVILZKKYGNG-NRFANRHFSA-N 1 3 341.474 4.303 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000162910673 1028538538 /nfs/dbraw/zinc/53/85/38/1028538538.db2.gz MELZEXGJCUGBCM-JOCHJYFZSA-N 1 3 336.479 4.068 20 0 EIADHO COc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)c(F)c1 ZINC000583385820 1028637247 /nfs/dbraw/zinc/63/72/47/1028637247.db2.gz VOYVSYVMFKGMHU-INIZCTEOSA-N 1 3 342.458 4.150 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2c1cccc2F ZINC000325233186 1029630237 /nfs/dbraw/zinc/63/02/37/1029630237.db2.gz BQICYSHKZADMPC-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CCN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000584259676 1029698956 /nfs/dbraw/zinc/69/89/56/1029698956.db2.gz XROYTUHFFOQICE-UHFFFAOYSA-N 1 3 348.494 4.160 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)c(Cl)c2)C1 ZINC000657840427 1029747930 /nfs/dbraw/zinc/74/79/30/1029747930.db2.gz GHSFFXIHYYXJAN-NEPJUHHUSA-N 1 3 345.712 4.095 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](c2cccnc2)C(C)C)CC1 ZINC000091287535 1029882676 /nfs/dbraw/zinc/88/26/76/1029882676.db2.gz WZBJNBVSLPNMIT-JOCHJYFZSA-N 1 3 337.511 4.341 20 0 EIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000093398258 1030004344 /nfs/dbraw/zinc/00/43/44/1030004344.db2.gz KBAYEMORCRGJAB-CVEARBPZSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000093398258 1030004364 /nfs/dbraw/zinc/00/43/64/1030004364.db2.gz KBAYEMORCRGJAB-CVEARBPZSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601017 1030219586 /nfs/dbraw/zinc/21/95/86/1030219586.db2.gz OLWXYLCKDDCTBF-UEXGIBASSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601017 1030219613 /nfs/dbraw/zinc/21/96/13/1030219613.db2.gz OLWXYLCKDDCTBF-UEXGIBASSA-N 1 3 338.495 4.399 20 0 EIADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000685455689 1030342009 /nfs/dbraw/zinc/34/20/09/1030342009.db2.gz LFXUHYOGVFTFRB-HRSGFYEVSA-N 1 3 344.543 4.283 20 0 EIADHO COc1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)ccc1C ZINC000447857361 1030380051 /nfs/dbraw/zinc/38/00/51/1030380051.db2.gz WISWPRGTHVVIDH-UHFFFAOYSA-N 1 3 338.495 4.279 20 0 EIADHO C[NH+](C)CCCOc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000527227345 1030584269 /nfs/dbraw/zinc/58/42/69/1030584269.db2.gz NLVDWZZOVBLNBC-UHFFFAOYSA-N 1 3 348.437 4.245 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179860 1030731063 /nfs/dbraw/zinc/73/10/63/1030731063.db2.gz WUURNDQBGOEJMI-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179860 1030731080 /nfs/dbraw/zinc/73/10/80/1030731080.db2.gz WUURNDQBGOEJMI-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000658064689 1030803339 /nfs/dbraw/zinc/80/33/39/1030803339.db2.gz QDBVLIPEOCQMGL-WRHDZBKDSA-N 1 3 349.522 4.075 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(C)c1 ZINC000658162514 1030859717 /nfs/dbraw/zinc/85/97/17/1030859717.db2.gz DWLUKPVUFWDBES-QFIPXVFZSA-N 1 3 337.511 4.343 20 0 EIADHO CCc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658166698 1030862308 /nfs/dbraw/zinc/86/23/08/1030862308.db2.gz OCUIZAOQUFEQRY-GOSISDBHSA-N 1 3 337.511 4.207 20 0 EIADHO CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000658166709 1030862923 /nfs/dbraw/zinc/86/29/23/1030862923.db2.gz OEVQLQIBJDOVFN-QFIPXVFZSA-N 1 3 337.511 4.425 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319278 1030978607 /nfs/dbraw/zinc/97/86/07/1030978607.db2.gz YWDQQYRVJZEESP-FGZHOGPDSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319278 1030978632 /nfs/dbraw/zinc/97/86/32/1030978632.db2.gz YWDQQYRVJZEESP-FGZHOGPDSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319278 1030978650 /nfs/dbraw/zinc/97/86/50/1030978650.db2.gz YWDQQYRVJZEESP-FGZHOGPDSA-N 1 3 349.522 4.425 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C)ccc2C)[C@H](C)C1 ZINC000532501180 1031221630 /nfs/dbraw/zinc/22/16/30/1031221630.db2.gz AIMZGOMPKVMFOQ-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(C)ccc2C)[C@H](C)C1 ZINC000532501180 1031221650 /nfs/dbraw/zinc/22/16/50/1031221650.db2.gz AIMZGOMPKVMFOQ-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449013831 1031343535 /nfs/dbraw/zinc/34/35/35/1031343535.db2.gz FNFXTEBDCWSAKI-UHFFFAOYSA-N 1 3 347.503 4.113 20 0 EIADHO Cc1ccc(OC(F)F)c(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000584474387 1031422930 /nfs/dbraw/zinc/42/29/30/1031422930.db2.gz PLPTXIBXKKPXED-UHFFFAOYSA-N 1 3 340.458 4.150 20 0 EIADHO CC[C@H](CC(F)(F)F)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449243598 1031577089 /nfs/dbraw/zinc/57/70/89/1031577089.db2.gz LXNFBYZYFBMLNE-DOTOQJQBSA-N 1 3 342.449 4.403 20 0 EIADHO CC[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000453153552 1031631189 /nfs/dbraw/zinc/63/11/89/1031631189.db2.gz VKGGJTCVKCEZRL-GKJHBJHPSA-N 1 3 337.511 4.279 20 0 EIADHO CC[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000453153552 1031631194 /nfs/dbraw/zinc/63/11/94/1031631194.db2.gz VKGGJTCVKCEZRL-GKJHBJHPSA-N 1 3 337.511 4.279 20 0 EIADHO CC1(C)CN(Cc2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449411955 1031696447 /nfs/dbraw/zinc/69/64/47/1031696447.db2.gz DKPLFRXNWBKQJW-JOCHJYFZSA-N 1 3 349.522 4.204 20 0 EIADHO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000453193670 1031703791 /nfs/dbraw/zinc/70/37/91/1031703791.db2.gz GKZLQYYKLZPGLB-QWFCFKBJSA-N 1 3 329.532 4.035 20 0 EIADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000453346736 1031872601 /nfs/dbraw/zinc/87/26/01/1031872601.db2.gz KOEVFAOSTMYOOY-MUSFGAPCSA-N 1 3 334.891 4.077 20 0 EIADHO c1csc([C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449632331 1031901803 /nfs/dbraw/zinc/90/18/03/1031901803.db2.gz XJTHLTSPOJLQMW-HKUYNNGSSA-N 1 3 348.556 4.355 20 0 EIADHO c1csc([C@@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449632331 1031901817 /nfs/dbraw/zinc/90/18/17/1031901817.db2.gz XJTHLTSPOJLQMW-HKUYNNGSSA-N 1 3 348.556 4.355 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972413 1031910313 /nfs/dbraw/zinc/91/03/13/1031910313.db2.gz RIVLNIKSUXKXEW-LAUBAEHRSA-N 1 3 344.449 4.180 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972413 1031910325 /nfs/dbraw/zinc/91/03/25/1031910325.db2.gz RIVLNIKSUXKXEW-LAUBAEHRSA-N 1 3 344.449 4.180 20 0 EIADHO CN(c1ccccc1)c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000022820386 1034821390 /nfs/dbraw/zinc/82/13/90/1034821390.db2.gz UMTWJZCOZVUODK-UHFFFAOYSA-N 1 3 335.495 4.171 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC1CC[NH+](C2CC2)CC1 ZINC000501419089 1035440112 /nfs/dbraw/zinc/44/01/12/1035440112.db2.gz FQNARMIUJUEDCK-OWBHPGMISA-N 1 3 338.417 4.325 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000502722505 1036560603 /nfs/dbraw/zinc/56/06/03/1036560603.db2.gz KLQBCSGZAJVHIM-IBGZPJMESA-N 1 3 332.919 4.474 20 0 EIADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1csc(-c2ccccc2F)n1 ZINC000421868868 1036840507 /nfs/dbraw/zinc/84/05/07/1036840507.db2.gz CTCSSJUTNJTSRY-NFOMZHRRSA-N 1 3 347.503 4.473 20 0 EIADHO FC1(F)CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000503043881 1036884008 /nfs/dbraw/zinc/88/40/08/1036884008.db2.gz AUSUJBAESDVYOR-XUVXKRRUSA-N 1 3 348.481 4.312 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000590786266 1037167903 /nfs/dbraw/zinc/16/79/03/1037167903.db2.gz LTBAIQAGGRSTOR-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000590786266 1037167911 /nfs/dbraw/zinc/16/79/11/1037167911.db2.gz LTBAIQAGGRSTOR-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488434581 1037593572 /nfs/dbraw/zinc/59/35/72/1037593572.db2.gz JEAZSXIEQXQFOE-ZCNNSNEGSA-N 1 3 346.584 4.061 20 0 EIADHO C/C(=C\c1ccccc1)CNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000488459046 1037600529 /nfs/dbraw/zinc/60/05/29/1037600529.db2.gz NCNAKZCMSKCHLL-VVMUCNELSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C\c1ccccc1)CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000488459046 1037600535 /nfs/dbraw/zinc/60/05/35/1037600535.db2.gz NCNAKZCMSKCHLL-VVMUCNELSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000488459046 1037600542 /nfs/dbraw/zinc/60/05/42/1037600542.db2.gz NCNAKZCMSKCHLL-VVMUCNELSA-N 1 3 334.507 4.244 20 0 EIADHO Cc1cc(C)c(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c1 ZINC000488571534 1037669308 /nfs/dbraw/zinc/66/93/08/1037669308.db2.gz STTYPOQFVNSGBI-JOCHJYFZSA-N 1 3 336.523 4.266 20 0 EIADHO Cc1cc(C)c(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)c1 ZINC000488571534 1037669318 /nfs/dbraw/zinc/66/93/18/1037669318.db2.gz STTYPOQFVNSGBI-JOCHJYFZSA-N 1 3 336.523 4.266 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(C)c1 ZINC000488571534 1037669332 /nfs/dbraw/zinc/66/93/32/1037669332.db2.gz STTYPOQFVNSGBI-JOCHJYFZSA-N 1 3 336.523 4.266 20 0 EIADHO Cc1ccccc1[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422711917 1037804536 /nfs/dbraw/zinc/80/45/36/1037804536.db2.gz NJWNRHFFIJSOLT-WWNPGLIZSA-N 1 3 348.490 4.292 20 0 EIADHO CCCC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(OC)cc1 ZINC000422718072 1037812488 /nfs/dbraw/zinc/81/24/88/1037812488.db2.gz WLQZOFYBIUDOGF-HRAATJIYSA-N 1 3 341.499 4.439 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000422773960 1037830026 /nfs/dbraw/zinc/83/00/26/1037830026.db2.gz ZLXBJHIPXYZSQE-WZONZLPQSA-N 1 3 345.490 4.483 20 0 EIADHO COc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)c(C)c1 ZINC000422797009 1037834451 /nfs/dbraw/zinc/83/44/51/1037834451.db2.gz KWNOHSFJYVDNBS-MGPUTAFESA-N 1 3 346.902 4.463 20 0 EIADHO Cc1nc(-c2ccc([C@H](C)N[C@H]3CC[NH2+]CC[C@@H]3C)cc2)cs1 ZINC000422800627 1037835747 /nfs/dbraw/zinc/83/57/47/1037835747.db2.gz CLWURUFELMMDFY-DEYYWGMASA-N 1 3 329.513 4.157 20 0 EIADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422804650 1037838350 /nfs/dbraw/zinc/83/83/50/1037838350.db2.gz HZLWWIINTYYVGC-MNAPGUCWSA-N 1 3 336.479 4.197 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422814975 1037840443 /nfs/dbraw/zinc/84/04/43/1037840443.db2.gz WSFMKLDNQPTGHX-HOTGVXAUSA-N 1 3 346.478 4.323 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422824155 1037841255 /nfs/dbraw/zinc/84/12/55/1037841255.db2.gz NEHBIGDDJWABGV-HOTGVXAUSA-N 1 3 346.478 4.323 20 0 EIADHO FC(F)(F)c1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000422831610 1037843045 /nfs/dbraw/zinc/84/30/45/1037843045.db2.gz WVLAQMDYYBJLML-IAGOWNOFSA-N 1 3 326.406 4.073 20 0 EIADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000422838276 1037843671 /nfs/dbraw/zinc/84/36/71/1037843671.db2.gz NYPMBEPKNAMPMF-PBWFPOADSA-N 1 3 327.299 4.144 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000422886718 1037854364 /nfs/dbraw/zinc/85/43/64/1037854364.db2.gz XFOGUDIKXRNXHB-LSDHHAIUSA-N 1 3 327.472 4.048 20 0 EIADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422868783 1037856301 /nfs/dbraw/zinc/85/63/01/1037856301.db2.gz WAUGUVVCDYFZMO-IYWMVGAKSA-N 1 3 349.588 4.031 20 0 EIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422937841 1037875560 /nfs/dbraw/zinc/87/55/60/1037875560.db2.gz CUYJBJOIXGCIRF-YSIASYRMSA-N 1 3 326.871 4.410 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000422935769 1037876652 /nfs/dbraw/zinc/87/66/52/1037876652.db2.gz DPCLOVKAZWCKJX-LLVKDONJSA-N 1 3 338.282 4.049 20 0 EIADHO CC1(C)C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000422993380 1037891842 /nfs/dbraw/zinc/89/18/42/1037891842.db2.gz SRTPNRIENPSQBF-MZKRTTBSSA-N 1 3 348.490 4.255 20 0 EIADHO Cc1cc([C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C2CC2)ccc1F ZINC000423015956 1037903485 /nfs/dbraw/zinc/90/34/85/1037903485.db2.gz RXHUBUWRLAXTHD-VBKZILBWSA-N 1 3 327.447 4.098 20 0 EIADHO CCN(Cc1ccc(-c2ccccc2OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000414712454 1037910748 /nfs/dbraw/zinc/91/07/48/1037910748.db2.gz IXUMQCMFGMCKFO-FQEVSTJZSA-N 1 3 338.495 4.326 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423056282 1037925495 /nfs/dbraw/zinc/92/54/95/1037925495.db2.gz XXIPLWAGYFKRQP-GFCCVEGCSA-N 1 3 349.881 4.270 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423060505 1037928048 /nfs/dbraw/zinc/92/80/48/1037928048.db2.gz OQBGEWVUJZQXLH-GFCCVEGCSA-N 1 3 337.389 4.027 20 0 EIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(C2CCC2)cc1 ZINC000423067842 1037934591 /nfs/dbraw/zinc/93/45/91/1037934591.db2.gz AGHPXJNQYUNESD-JTHBVZDNSA-N 1 3 348.490 4.300 20 0 EIADHO COCCCC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000423085561 1037945407 /nfs/dbraw/zinc/94/54/07/1037945407.db2.gz KTYQFOFHVRZCHJ-UWJYYQICSA-N 1 3 341.499 4.057 20 0 EIADHO FC(F)(F)c1cccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000423107105 1037982266 /nfs/dbraw/zinc/98/22/66/1037982266.db2.gz PGOSBYKHDLFFOF-SJORKVTESA-N 1 3 326.406 4.278 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCS2 ZINC000423295685 1038118979 /nfs/dbraw/zinc/11/89/79/1038118979.db2.gz XEICSOYVSQAHKA-LIRRHRJNSA-N 1 3 342.508 4.432 20 0 EIADHO COc1ccc([C@@H](NCCCC[NH3+])c2ccccc2Cl)c(C)c1 ZINC000423323502 1038136400 /nfs/dbraw/zinc/13/64/00/1038136400.db2.gz JPPMIJCLVLZHGO-LJQANCHMSA-N 1 3 332.875 4.075 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423371578 1038188943 /nfs/dbraw/zinc/18/89/43/1038188943.db2.gz GPPDKPJQFKLHQT-JQFCIGGWSA-N 1 3 329.513 4.347 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423371580 1038191323 /nfs/dbraw/zinc/19/13/23/1038191323.db2.gz GPPDKPJQFKLHQT-RRQGHBQHSA-N 1 3 329.513 4.347 20 0 EIADHO COc1ccc([C@@H](NCCCC[NH+](C)C)c2ccccc2Cl)cc1 ZINC000490149335 1038344666 /nfs/dbraw/zinc/34/46/66/1038344666.db2.gz IYWPCLKPKDVTNQ-HXUWFJFHSA-N 1 3 346.902 4.369 20 0 EIADHO C[C@@H]1C[C@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@@H+]1C ZINC000608061541 1038442488 /nfs/dbraw/zinc/44/24/88/1038442488.db2.gz JLQCDGZVCNUQEF-WIYYLYMNSA-N 1 3 347.506 4.262 20 0 EIADHO C[C@@H]1C[C@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@H+]1C ZINC000608061541 1038442511 /nfs/dbraw/zinc/44/25/11/1038442511.db2.gz JLQCDGZVCNUQEF-WIYYLYMNSA-N 1 3 347.506 4.262 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424311946 1038797509 /nfs/dbraw/zinc/79/75/09/1038797509.db2.gz LNZKKMFZBSLTNU-MOPGFXCFSA-N 1 3 343.540 4.137 20 0 EIADHO COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000539062448 1038807770 /nfs/dbraw/zinc/80/77/70/1038807770.db2.gz YYHSKXHOXIWKKN-XMSQKQJNSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000539062448 1038807771 /nfs/dbraw/zinc/80/77/71/1038807771.db2.gz YYHSKXHOXIWKKN-XMSQKQJNSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000539062446 1038808260 /nfs/dbraw/zinc/80/82/60/1038808260.db2.gz YYHSKXHOXIWKKN-GCJKJVERSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000539062446 1038808264 /nfs/dbraw/zinc/80/82/64/1038808264.db2.gz YYHSKXHOXIWKKN-GCJKJVERSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CCCC[C@H]3N)s2)cc1 ZINC000424380633 1038839019 /nfs/dbraw/zinc/83/90/19/1038839019.db2.gz XHIRJFHRBSGOFB-JCURWCKSSA-N 1 3 345.512 4.048 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)NCc1cccc(F)c1Br ZINC000156679201 1038870802 /nfs/dbraw/zinc/87/08/02/1038870802.db2.gz MXJYDCMDPBJJCY-CYBMUJFWSA-N 1 3 345.300 4.188 20 0 EIADHO c1sc(CC[NH2+]C2CCN(CC3CC3)CC2)nc1C1CCCCC1 ZINC000539262178 1038917693 /nfs/dbraw/zinc/91/76/93/1038917693.db2.gz CHILDQHXJYYHSJ-UHFFFAOYSA-N 1 3 347.572 4.197 20 0 EIADHO c1sc(CCNC2CC[NH+](CC3CC3)CC2)nc1C1CCCCC1 ZINC000539262178 1038917745 /nfs/dbraw/zinc/91/77/45/1038917745.db2.gz CHILDQHXJYYHSJ-UHFFFAOYSA-N 1 3 347.572 4.197 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035713 1038985773 /nfs/dbraw/zinc/98/57/73/1038985773.db2.gz IGUNJUIRFCEASP-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035713 1038985791 /nfs/dbraw/zinc/98/57/91/1038985791.db2.gz IGUNJUIRFCEASP-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035713 1038985809 /nfs/dbraw/zinc/98/58/09/1038985809.db2.gz IGUNJUIRFCEASP-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552042738 1039061281 /nfs/dbraw/zinc/06/12/81/1039061281.db2.gz ZPCDSZWSWVOHKW-FGTMMUONSA-N 1 3 340.433 4.219 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552042738 1039061300 /nfs/dbraw/zinc/06/13/00/1039061300.db2.gz ZPCDSZWSWVOHKW-FGTMMUONSA-N 1 3 340.433 4.219 20 0 EIADHO COc1cccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1OC(C)C ZINC000534347270 1039335609 /nfs/dbraw/zinc/33/56/09/1039335609.db2.gz GGOQZXBNPBDXMA-UHFFFAOYSA-N 1 3 348.531 4.035 20 0 EIADHO COc1cccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1OC(C)C ZINC000534347270 1039335631 /nfs/dbraw/zinc/33/56/31/1039335631.db2.gz GGOQZXBNPBDXMA-UHFFFAOYSA-N 1 3 348.531 4.035 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430115486 1039852007 /nfs/dbraw/zinc/85/20/07/1039852007.db2.gz BFGYMFMUZONHCK-VHUCWBOISA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430115486 1039852008 /nfs/dbraw/zinc/85/20/08/1039852008.db2.gz BFGYMFMUZONHCK-VHUCWBOISA-N 1 3 338.417 4.136 20 0 EIADHO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000481978126 1039921727 /nfs/dbraw/zinc/92/17/27/1039921727.db2.gz ZJLPEQFGKBXERU-GOSISDBHSA-N 1 3 344.543 4.403 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000514637712 1040073485 /nfs/dbraw/zinc/07/34/85/1040073485.db2.gz SLUWKGAHGLSIGF-PXNSSMCTSA-N 1 3 343.559 4.300 20 0 EIADHO Cc1cc(CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc(C)c1O ZINC000470139391 1040097180 /nfs/dbraw/zinc/09/71/80/1040097180.db2.gz BQGAQMGWRZTGCI-IIBYNOLFSA-N 1 3 344.543 4.184 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3ccc(C)nc3C)C2)s1 ZINC000514734037 1040197055 /nfs/dbraw/zinc/19/70/55/1040197055.db2.gz XZHHUNJNBAZMDY-GOSISDBHSA-N 1 3 343.540 4.022 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3ccc(C)nc3C)C2)s1 ZINC000514734037 1040197062 /nfs/dbraw/zinc/19/70/62/1040197062.db2.gz XZHHUNJNBAZMDY-GOSISDBHSA-N 1 3 343.540 4.022 20 0 EIADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482455387 1040267278 /nfs/dbraw/zinc/26/72/78/1040267278.db2.gz YMTMZFLTWBKIGT-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482455387 1040267296 /nfs/dbraw/zinc/26/72/96/1040267296.db2.gz YMTMZFLTWBKIGT-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482455387 1040267314 /nfs/dbraw/zinc/26/73/14/1040267314.db2.gz YMTMZFLTWBKIGT-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO CC(C)[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000479461030 1040370382 /nfs/dbraw/zinc/37/03/82/1040370382.db2.gz AQMLGMKUMBHULA-WIYYLYMNSA-N 1 3 341.474 4.030 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479859887 1040719807 /nfs/dbraw/zinc/71/98/07/1040719807.db2.gz NCPAJMWSNTVIRW-AWEZNQCLSA-N 1 3 331.529 4.357 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2C)[C@H](C)C1 ZINC000483124220 1040720403 /nfs/dbraw/zinc/72/04/03/1040720403.db2.gz GJCOTELRKQFGFP-QFUCXCTJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2C)[C@H](C)C1 ZINC000483124220 1040720415 /nfs/dbraw/zinc/72/04/15/1040720415.db2.gz GJCOTELRKQFGFP-QFUCXCTJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2C)[C@H](C)C1 ZINC000483124218 1040720611 /nfs/dbraw/zinc/72/06/11/1040720611.db2.gz GJCOTELRKQFGFP-LMNJBCLMSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2C)[C@H](C)C1 ZINC000483124218 1040720633 /nfs/dbraw/zinc/72/06/33/1040720633.db2.gz GJCOTELRKQFGFP-LMNJBCLMSA-N 1 3 332.532 4.091 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903090960 1040899605 /nfs/dbraw/zinc/89/96/05/1040899605.db2.gz KAKOUIHRIQXDMR-LAUBAEHRSA-N 1 3 348.506 4.003 20 0 EIADHO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000537955147 1040924785 /nfs/dbraw/zinc/92/47/85/1040924785.db2.gz JFXVAURZBMYVNH-BHDDXSALSA-N 1 3 344.543 4.131 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740221 1040991358 /nfs/dbraw/zinc/99/13/58/1040991358.db2.gz HWPIKSPXGYGELJ-NQIIRXRSSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740221 1040991381 /nfs/dbraw/zinc/99/13/81/1040991381.db2.gz HWPIKSPXGYGELJ-NQIIRXRSSA-N 1 3 326.459 4.389 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735973 1040991818 /nfs/dbraw/zinc/99/18/18/1040991818.db2.gz XOWGQNLGAYOVEB-YDHLFZDLSA-N 1 3 328.472 4.177 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735973 1040991840 /nfs/dbraw/zinc/99/18/40/1040991840.db2.gz XOWGQNLGAYOVEB-YDHLFZDLSA-N 1 3 328.472 4.177 20 0 EIADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425503117 1041016188 /nfs/dbraw/zinc/01/61/88/1041016188.db2.gz INJYSRSJDPJFIH-QGZVFWFLSA-N 1 3 347.572 4.076 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436283985 1041029807 /nfs/dbraw/zinc/02/98/07/1041029807.db2.gz XKBZAALXAPWZIG-UHFFFAOYSA-N 1 3 339.458 4.439 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060498 1041031815 /nfs/dbraw/zinc/03/18/15/1041031815.db2.gz ZOMVNJIHEARLML-PXAZEXFGSA-N 1 3 327.299 4.376 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060498 1041031800 /nfs/dbraw/zinc/03/18/00/1041031800.db2.gz ZOMVNJIHEARLML-PXAZEXFGSA-N 1 3 327.299 4.376 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060498 1041031830 /nfs/dbraw/zinc/03/18/30/1041031830.db2.gz ZOMVNJIHEARLML-PXAZEXFGSA-N 1 3 327.299 4.376 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097059 1041045104 /nfs/dbraw/zinc/04/51/04/1041045104.db2.gz OHMYDKFSQMEMBG-YWZLYKJASA-N 1 3 344.499 4.407 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097059 1041045120 /nfs/dbraw/zinc/04/51/20/1041045120.db2.gz OHMYDKFSQMEMBG-YWZLYKJASA-N 1 3 344.499 4.407 20 0 EIADHO C[N@@H+]1CCC[C@H](CNc2ccnc3ccccc32)[C@H]1c1cccs1 ZINC000462880167 1041061820 /nfs/dbraw/zinc/06/18/20/1041061820.db2.gz AYCYIJGZNYDHIW-QRWLVFNGSA-N 1 3 337.492 4.213 20 0 EIADHO C[N@H+]1CCC[C@H](CNc2ccnc3ccccc32)[C@H]1c1cccs1 ZINC000462880167 1041061833 /nfs/dbraw/zinc/06/18/33/1041061833.db2.gz AYCYIJGZNYDHIW-QRWLVFNGSA-N 1 3 337.492 4.213 20 0 EIADHO CCCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000540170828 1041213496 /nfs/dbraw/zinc/21/34/96/1041213496.db2.gz PQQFQAZQSDWNND-FHWLQOOXSA-N 1 3 348.531 4.015 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000538259735 1041220923 /nfs/dbraw/zinc/22/09/23/1041220923.db2.gz NEMQVUHNXZRIPY-YLJYHZDGSA-N 1 3 338.495 4.497 20 0 EIADHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538268476 1041227813 /nfs/dbraw/zinc/22/78/13/1041227813.db2.gz IPWGAYMBBALKIE-IEBWSBKVSA-N 1 3 330.516 4.389 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484476813 1041269354 /nfs/dbraw/zinc/26/93/54/1041269354.db2.gz WPKQSXCAKRUKGY-NWANDNLSSA-N 1 3 330.394 4.109 20 0 EIADHO CCO[C@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000484479137 1041274424 /nfs/dbraw/zinc/27/44/24/1041274424.db2.gz WJUXPSMOQLDIFH-OAQYLSRUSA-N 1 3 336.564 4.359 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463207403 1041420261 /nfs/dbraw/zinc/42/02/61/1041420261.db2.gz SQVYGBXETXBYRB-NQIIRXRSSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463207403 1041420269 /nfs/dbraw/zinc/42/02/69/1041420269.db2.gz SQVYGBXETXBYRB-NQIIRXRSSA-N 1 3 338.495 4.146 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287312956 1041421369 /nfs/dbraw/zinc/42/13/69/1041421369.db2.gz LIMKKRDSAWGCDW-BQFCYCMXSA-N 1 3 325.456 4.007 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287312956 1041421374 /nfs/dbraw/zinc/42/13/74/1041421374.db2.gz LIMKKRDSAWGCDW-BQFCYCMXSA-N 1 3 325.456 4.007 20 0 EIADHO C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538704663 1041495462 /nfs/dbraw/zinc/49/54/62/1041495462.db2.gz VTZKZYYHOUOBFC-CRAIPNDOSA-N 1 3 341.524 4.021 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870893 1041791318 /nfs/dbraw/zinc/79/13/18/1041791318.db2.gz QSAFYVMVNDUNRS-INIZCTEOSA-N 1 3 349.569 4.084 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3sc(C)nc3C)C2)s1 ZINC000516870893 1041791327 /nfs/dbraw/zinc/79/13/27/1041791327.db2.gz QSAFYVMVNDUNRS-INIZCTEOSA-N 1 3 349.569 4.084 20 0 EIADHO Fc1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000518285501 1042453628 /nfs/dbraw/zinc/45/36/28/1042453628.db2.gz SYJNHGLTOOPUMY-UHFFFAOYSA-N 1 3 346.877 4.481 20 0 EIADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414992718 1042570684 /nfs/dbraw/zinc/57/06/84/1042570684.db2.gz BZBWMARKLUDGJD-UKPHBRMFSA-N 1 3 346.412 4.230 20 0 EIADHO COc1cccc([C@H](C)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000177213988 1042830508 /nfs/dbraw/zinc/83/05/08/1042830508.db2.gz PNYGZQWSARBTTG-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO COc1cccc([C@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000177213988 1042830509 /nfs/dbraw/zinc/83/05/09/1042830509.db2.gz PNYGZQWSARBTTG-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591413 1042841096 /nfs/dbraw/zinc/84/10/96/1042841096.db2.gz OPYBISDIEXOZAY-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591413 1042841097 /nfs/dbraw/zinc/84/10/97/1042841097.db2.gz OPYBISDIEXOZAY-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO COc1ccccc1C[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168006338 1043000789 /nfs/dbraw/zinc/00/07/89/1043000789.db2.gz NIDUDXQMYVTUSJ-QZTJIDSGSA-N 1 3 338.495 4.226 20 0 EIADHO C[C@@H]1CC([NH2+]Cc2cc(F)cc(F)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168007757 1043023887 /nfs/dbraw/zinc/02/38/87/1043023887.db2.gz UJTWBFCUJKDXST-HZPDHXFCSA-N 1 3 344.449 4.496 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000657965814 1043223093 /nfs/dbraw/zinc/22/30/93/1043223093.db2.gz BOBQZHSXLJZENT-ZIFCJYIRSA-N 1 3 349.478 4.389 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000727469236 1043228447 /nfs/dbraw/zinc/22/84/47/1043228447.db2.gz ZMHXPNUXQMESNG-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cnc3ccccc3c2)c1 ZINC000727469236 1043228456 /nfs/dbraw/zinc/22/84/56/1043228456.db2.gz ZMHXPNUXQMESNG-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CCc1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000347878003 1043312425 /nfs/dbraw/zinc/31/24/25/1043312425.db2.gz LTORKPBIYZGJPH-UHFFFAOYSA-N 1 3 349.522 4.132 20 0 EIADHO CCc1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000347878003 1043312438 /nfs/dbraw/zinc/31/24/38/1043312438.db2.gz LTORKPBIYZGJPH-UHFFFAOYSA-N 1 3 349.522 4.132 20 0 EIADHO Nc1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000665272160 1043478018 /nfs/dbraw/zinc/47/80/18/1043478018.db2.gz ZPMPOKKSJQOYJG-CUDBPUKSSA-N 1 3 347.506 4.041 20 0 EIADHO Nc1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665272160 1043478027 /nfs/dbraw/zinc/47/80/27/1043478027.db2.gz ZPMPOKKSJQOYJG-CUDBPUKSSA-N 1 3 347.506 4.041 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665281205 1043649153 /nfs/dbraw/zinc/64/91/53/1043649153.db2.gz XBNDKGQOAVEGHH-MLGOLLRUSA-N 1 3 335.492 4.282 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000474033792 1043692329 /nfs/dbraw/zinc/69/23/29/1043692329.db2.gz LUTFVOUQTQHRJI-UZLBHIALSA-N 1 3 330.516 4.128 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731678015 1043814938 /nfs/dbraw/zinc/81/49/38/1043814938.db2.gz FDNNKBNAPWGFMZ-UHFFFAOYSA-N 1 3 330.516 4.144 20 0 EIADHO CCCCN1CCC([NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191505231 1043822930 /nfs/dbraw/zinc/82/29/30/1043822930.db2.gz IPJNIFMEHBQREQ-SFHVURJKSA-N 1 3 334.529 4.086 20 0 EIADHO COCCC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(F)cc1 ZINC000442861304 1043864485 /nfs/dbraw/zinc/86/44/85/1043864485.db2.gz UBHCUHSEWDENDT-YLJYHZDGSA-N 1 3 336.495 4.148 20 0 EIADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658168176 1043951934 /nfs/dbraw/zinc/95/19/34/1043951934.db2.gz ZWKNEMTZGKHLHU-QFIPXVFZSA-N 1 3 349.522 4.188 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193963573 1044221331 /nfs/dbraw/zinc/22/13/31/1044221331.db2.gz OJIFBJPGHWSRAS-GFCCVEGCSA-N 1 3 345.350 4.282 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000443413488 1044269489 /nfs/dbraw/zinc/26/94/89/1044269489.db2.gz MAUWNPDHZIVPBC-UHFFFAOYSA-N 1 3 328.422 4.318 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000443413488 1044269497 /nfs/dbraw/zinc/26/94/97/1044269497.db2.gz MAUWNPDHZIVPBC-UHFFFAOYSA-N 1 3 328.422 4.318 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319483 1044306168 /nfs/dbraw/zinc/30/61/68/1044306168.db2.gz CHDFHURGPJGCHJ-GHTZIAJQSA-N 1 3 335.495 4.035 20 0 EIADHO Cc1cc(F)cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001143590548 1044316061 /nfs/dbraw/zinc/31/60/61/1044316061.db2.gz YLYFNTXADQRBBC-LJQANCHMSA-N 1 3 326.459 4.088 20 0 EIADHO Cc1cc(F)cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001143590548 1044316072 /nfs/dbraw/zinc/31/60/72/1044316072.db2.gz YLYFNTXADQRBBC-LJQANCHMSA-N 1 3 326.459 4.088 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000543396564 1044510181 /nfs/dbraw/zinc/51/01/81/1044510181.db2.gz SSFLYHHFUURFCQ-UHFFFAOYSA-N 1 3 346.563 4.022 20 0 EIADHO CN(C)C1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474150986 1044695930 /nfs/dbraw/zinc/69/59/30/1044695930.db2.gz CPCSQBBZWBWAMN-UHFFFAOYSA-N 1 3 329.315 4.342 20 0 EIADHO CC(C)CC[NH+]1CCC(CNCc2nc3ccc(F)cc3s2)CC1 ZINC000428890640 1044826594 /nfs/dbraw/zinc/82/65/94/1044826594.db2.gz VCAWVXAOSCQLPU-UHFFFAOYSA-N 1 3 349.519 4.283 20 0 EIADHO Clc1ccccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000390725242 1044892027 /nfs/dbraw/zinc/89/20/27/1044892027.db2.gz QRZMJEIUHCNCNG-GOSISDBHSA-N 1 3 328.887 4.342 20 0 EIADHO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000429005191 1044993509 /nfs/dbraw/zinc/99/35/09/1044993509.db2.gz RLYVDGAKMISMQS-JOCHJYFZSA-N 1 3 338.495 4.155 20 0 EIADHO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000429005191 1044993528 /nfs/dbraw/zinc/99/35/28/1044993528.db2.gz RLYVDGAKMISMQS-JOCHJYFZSA-N 1 3 338.495 4.155 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347922392 1045142773 /nfs/dbraw/zinc/14/27/73/1045142773.db2.gz OEEUACKJDZNJQA-SQNIBIBYSA-N 1 3 340.515 4.094 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000347922392 1045142783 /nfs/dbraw/zinc/14/27/83/1045142783.db2.gz OEEUACKJDZNJQA-SQNIBIBYSA-N 1 3 340.515 4.094 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168741225 1045230117 /nfs/dbraw/zinc/23/01/17/1045230117.db2.gz XLFIOEUITOUGAD-KSZLIROESA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168741225 1045230130 /nfs/dbraw/zinc/23/01/30/1045230130.db2.gz XLFIOEUITOUGAD-KSZLIROESA-N 1 3 332.919 4.146 20 0 EIADHO CCOc1cccc(CNCc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000236946646 1045370745 /nfs/dbraw/zinc/37/07/45/1045370745.db2.gz SQDLZCHTPAHWMT-UHFFFAOYSA-N 1 3 326.484 4.217 20 0 EIADHO C[C@@H](CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000237565936 1045389106 /nfs/dbraw/zinc/38/91/06/1045389106.db2.gz REHDFNYQZCUUTD-RBBKRZOGSA-N 1 3 336.523 4.334 20 0 EIADHO CCc1ccccc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001170205350 1045925354 /nfs/dbraw/zinc/92/53/54/1045925354.db2.gz KRXUEXMWGBFESP-HSZRJFAPSA-N 1 3 334.507 4.347 20 0 EIADHO CCc1ccccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001170205350 1045925375 /nfs/dbraw/zinc/92/53/75/1045925375.db2.gz KRXUEXMWGBFESP-HSZRJFAPSA-N 1 3 334.507 4.347 20 0 EIADHO CCC[NH+]1CCC(N[C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000161622308 1046012085 /nfs/dbraw/zinc/01/20/85/1046012085.db2.gz AGSKNECYPUYYIX-LSDHHAIUSA-N 1 3 331.529 4.252 20 0 EIADHO CSc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1F ZINC000123634388 1046189166 /nfs/dbraw/zinc/18/91/66/1046189166.db2.gz FDZCZPTYEVMIMY-CQSZACIVSA-N 1 3 332.488 4.460 20 0 EIADHO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508703110 1046344455 /nfs/dbraw/zinc/34/44/55/1046344455.db2.gz XMVHZEKSVQPQNV-IEBWSBKVSA-N 1 3 338.470 4.315 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000125826946 1046353092 /nfs/dbraw/zinc/35/30/92/1046353092.db2.gz UOBHUIYPOZZHSX-GJZGRUSLSA-N 1 3 326.431 4.059 20 0 EIADHO C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508718466 1046375877 /nfs/dbraw/zinc/37/58/77/1046375877.db2.gz IZAOAWBQCPDPEG-RDJZCZTQSA-N 1 3 348.943 4.444 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000125950925 1046384949 /nfs/dbraw/zinc/38/49/49/1046384949.db2.gz TYVSRVJZVBKSAF-LSDHHAIUSA-N 1 3 326.431 4.059 20 0 EIADHO CN(Cc1cccc2cc[nH]c21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536677259 1046665350 /nfs/dbraw/zinc/66/53/50/1046665350.db2.gz GSABXYYCRSFLLN-IBGZPJMESA-N 1 3 333.479 4.122 20 0 EIADHO CN(Cc1cccc2cc[nH]c21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536677259 1046665352 /nfs/dbraw/zinc/66/53/52/1046665352.db2.gz GSABXYYCRSFLLN-IBGZPJMESA-N 1 3 333.479 4.122 20 0 EIADHO CCC(CC)(C[NH2+]C1CCN(C2CC2)CC1)N[C@@H](C)c1ccccc1 ZINC000459451215 1046680736 /nfs/dbraw/zinc/68/07/36/1046680736.db2.gz WYFFYGRJKUJCMV-SFHVURJKSA-N 1 3 343.559 4.112 20 0 EIADHO C[C@H]1C[C@H](NCCSc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379633850 1046732370 /nfs/dbraw/zinc/73/23/70/1046732370.db2.gz URYGALTTXQCGGD-AZUAARDMSA-N 1 3 340.536 4.421 20 0 EIADHO C[C@H]1C[C@H](NCCSc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379633850 1046732384 /nfs/dbraw/zinc/73/23/84/1046732384.db2.gz URYGALTTXQCGGD-AZUAARDMSA-N 1 3 340.536 4.421 20 0 EIADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000536855977 1046825778 /nfs/dbraw/zinc/82/57/78/1046825778.db2.gz CVIQTDCLMNLHJN-YUVXSKOASA-N 1 3 344.543 4.110 20 0 EIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCC2CC2)c(F)c1 ZINC000537123103 1046952170 /nfs/dbraw/zinc/95/21/70/1046952170.db2.gz CMRWDMLZFHNVEX-YJBOKZPZSA-N 1 3 334.479 4.140 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000788435785 1047185723 /nfs/dbraw/zinc/18/57/23/1047185723.db2.gz LVLIVIDZBURXKK-UHFFFAOYSA-N 1 3 344.446 4.359 20 0 EIADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788530257 1047227056 /nfs/dbraw/zinc/22/70/56/1047227056.db2.gz WQMDQLIXXPNGJY-IRXDYDNUSA-N 1 3 339.483 4.012 20 0 EIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788530257 1047227041 /nfs/dbraw/zinc/22/70/41/1047227041.db2.gz WQMDQLIXXPNGJY-IRXDYDNUSA-N 1 3 339.483 4.012 20 0 EIADHO C[C@@H]1CC[C@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001170119647 1047472506 /nfs/dbraw/zinc/47/25/06/1047472506.db2.gz ZJEBULXZCJTYRV-KGLIPLIRSA-N 1 3 326.406 4.144 20 0 EIADHO C[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119577 1047473511 /nfs/dbraw/zinc/47/35/11/1047473511.db2.gz AMKZVECWNUIPEJ-LNLFQRSKSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119577 1047473513 /nfs/dbraw/zinc/47/35/13/1047473513.db2.gz AMKZVECWNUIPEJ-LNLFQRSKSA-N 1 3 341.474 4.172 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)cc1CN1CCCCC1 ZINC000790494931 1047599117 /nfs/dbraw/zinc/59/91/17/1047599117.db2.gz HHQPFBAWSPKIGF-IAGOWNOFSA-N 1 3 348.556 4.085 20 0 EIADHO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000824775077 1047934415 /nfs/dbraw/zinc/93/44/15/1047934415.db2.gz YFVHBNRDGSHPJV-UAGQMJEPSA-N 1 3 341.326 4.071 20 0 EIADHO C[C@H](CCN1CCC[C@@]2(CC2(F)F)C1)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437254 1048335168 /nfs/dbraw/zinc/33/51/68/1048335168.db2.gz MTLKTALOLQNCTL-BZUAXINKSA-N 1 3 348.428 4.007 20 0 EIADHO C[C@H](CCN1CCC[C@@]2(CC2(F)F)C1)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437254 1048335185 /nfs/dbraw/zinc/33/51/85/1048335185.db2.gz MTLKTALOLQNCTL-BZUAXINKSA-N 1 3 348.428 4.007 20 0 EIADHO FC1(F)C[C@@]12CCCN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000844443973 1048342827 /nfs/dbraw/zinc/34/28/27/1048342827.db2.gz NHGWWBBKMQMKFS-LJQANCHMSA-N 1 3 334.454 4.294 20 0 EIADHO COc1ccc2oc(CN(C)Cc3ccc(C[NH+](C)C)cc3)cc2c1 ZINC000809738372 1048509690 /nfs/dbraw/zinc/50/96/90/1048509690.db2.gz WLLIVNVYUZASEM-UHFFFAOYSA-N 1 3 338.451 4.135 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000844923929 1048548153 /nfs/dbraw/zinc/54/81/53/1048548153.db2.gz ISYUSILBQILPGF-LLVKDONJSA-N 1 3 338.282 4.146 20 0 EIADHO CCc1cccc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)c1 ZINC001144322904 1048589896 /nfs/dbraw/zinc/58/98/96/1048589896.db2.gz IABCBCWBUWGDOL-UHFFFAOYSA-N 1 3 338.495 4.330 20 0 EIADHO CCc1cccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1 ZINC001144326494 1048599903 /nfs/dbraw/zinc/59/99/03/1048599903.db2.gz CEOYLZQKRBVMDL-UHFFFAOYSA-N 1 3 334.507 4.347 20 0 EIADHO ClC1(Cl)C[C@H]1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000846106063 1048823136 /nfs/dbraw/zinc/82/31/36/1048823136.db2.gz XEIHATLXEYNZOJ-CQSZACIVSA-N 1 3 333.347 4.347 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000237343560 1048928358 /nfs/dbraw/zinc/92/83/58/1048928358.db2.gz WPLBOJYJHBQVJJ-WOJBJXKFSA-N 1 3 338.495 4.325 20 0 EIADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc2cc(Cl)ccc2o1 ZINC000817947984 1049064479 /nfs/dbraw/zinc/06/44/79/1049064479.db2.gz HUFDBXMFLTXHKM-CYBMUJFWSA-N 1 3 328.843 4.438 20 0 EIADHO CCOc1cccc2cc([C@H](C)NCc3ccc(CC[NH3+])cc3)oc21 ZINC000817948396 1049064640 /nfs/dbraw/zinc/06/46/40/1049064640.db2.gz IWVLOSURJXRCER-HNNXBMFYSA-N 1 3 338.451 4.184 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677656 1049468662 /nfs/dbraw/zinc/46/86/62/1049468662.db2.gz RFFURAHGLHPMQH-QGZVFWFLSA-N 1 3 336.470 4.065 20 0 EIADHO CCC(CC)[NH+]1CCC(N[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677656 1049468675 /nfs/dbraw/zinc/46/86/75/1049468675.db2.gz RFFURAHGLHPMQH-QGZVFWFLSA-N 1 3 336.470 4.065 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000081095566 1049624610 /nfs/dbraw/zinc/62/46/10/1049624610.db2.gz LMOVSLVEFVKZSF-RDTXWAMCSA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000081095566 1049624625 /nfs/dbraw/zinc/62/46/25/1049624625.db2.gz LMOVSLVEFVKZSF-RDTXWAMCSA-N 1 3 331.891 4.050 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716629321 1049701193 /nfs/dbraw/zinc/70/11/93/1049701193.db2.gz YFYJBWDGYJSGDB-VJANTYMQSA-N 1 3 334.454 4.207 20 0 EIADHO Cc1cccc2c1CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171559327 1049755283 /nfs/dbraw/zinc/75/52/83/1049755283.db2.gz DPKHLDVJEPUROZ-NRFANRHFSA-N 1 3 326.528 4.097 20 0 EIADHO Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001171563775 1049756140 /nfs/dbraw/zinc/75/61/40/1049756140.db2.gz MJMSILRNFOCPAX-DENIHFKCSA-N 1 3 338.539 4.263 20 0 EIADHO CN1C(C)(C)CC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001171613949 1049765705 /nfs/dbraw/zinc/76/57/05/1049765705.db2.gz RUMVUCKIFVIVMD-UHFFFAOYSA-N 1 3 342.449 4.489 20 0 EIADHO Cc1ccccc1O[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637380 1049779913 /nfs/dbraw/zinc/77/99/13/1049779913.db2.gz LSWMYUVGMZRBJE-GOSISDBHSA-N 1 3 330.516 4.100 20 0 EIADHO Cc1ccccc1O[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637380 1049779916 /nfs/dbraw/zinc/77/99/16/1049779916.db2.gz LSWMYUVGMZRBJE-GOSISDBHSA-N 1 3 330.516 4.100 20 0 EIADHO COc1ccc([C@@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)cc1 ZINC001171643385 1049780858 /nfs/dbraw/zinc/78/08/58/1049780858.db2.gz SFDQMQLJFYMXEY-QGZVFWFLSA-N 1 3 330.516 4.136 20 0 EIADHO COc1ccc([C@@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)cc1 ZINC001171643385 1049780863 /nfs/dbraw/zinc/78/08/63/1049780863.db2.gz SFDQMQLJFYMXEY-QGZVFWFLSA-N 1 3 330.516 4.136 20 0 EIADHO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccc(O)c1 ZINC001171967889 1049827880 /nfs/dbraw/zinc/82/78/80/1049827880.db2.gz NXPATKNCGAOEEB-PXNSSMCTSA-N 1 3 338.495 4.486 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CC(F)(F)C2)ccc1OC ZINC000813872735 1049828185 /nfs/dbraw/zinc/82/81/85/1049828185.db2.gz KFINHISYUGGLFQ-CQSZACIVSA-N 1 3 340.458 4.233 20 0 EIADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982467 1049839448 /nfs/dbraw/zinc/83/94/48/1049839448.db2.gz IWZYHZHKJYLVAZ-AZUAARDMSA-N 1 3 337.511 4.484 20 0 EIADHO Cc1ncccc1C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172088734 1049848916 /nfs/dbraw/zinc/84/89/16/1049848916.db2.gz NYTZLHLMXSEADC-JKHIJQBDSA-N 1 3 349.522 4.408 20 0 EIADHO Cc1ncccc1C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172088734 1049848917 /nfs/dbraw/zinc/84/89/17/1049848917.db2.gz NYTZLHLMXSEADC-JKHIJQBDSA-N 1 3 349.522 4.408 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC001172105746 1049856651 /nfs/dbraw/zinc/85/66/51/1049856651.db2.gz KARUCVQYMGEBFW-PHZGNYQRSA-N 1 3 346.824 4.464 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC001172108353 1049857536 /nfs/dbraw/zinc/85/75/36/1049857536.db2.gz VDNJZBBOGRVKKM-SJWGOKEGSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC001172108353 1049857539 /nfs/dbraw/zinc/85/75/39/1049857539.db2.gz VDNJZBBOGRVKKM-SJWGOKEGSA-N 1 3 326.406 4.371 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001172118786 1049858452 /nfs/dbraw/zinc/85/84/52/1049858452.db2.gz SVLXVBSWYRCODC-KEZQHZCBSA-N 1 3 336.479 4.087 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001172118784 1049858941 /nfs/dbraw/zinc/85/89/41/1049858941.db2.gz SVLXVBSWYRCODC-IIZPIQPGSA-N 1 3 336.479 4.087 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001172118787 1049859318 /nfs/dbraw/zinc/85/93/18/1049859318.db2.gz SVLXVBSWYRCODC-XAPVIXHLSA-N 1 3 336.479 4.087 20 0 EIADHO [NH3+][C@H]1CCN(Cc2ccc3ccc(-c4ccccc4)nc3c2)CC[C@@H]1F ZINC001206164548 1049918172 /nfs/dbraw/zinc/91/81/72/1049918172.db2.gz KJNRYCBRSYEWMW-PMACEKPBSA-N 1 3 349.453 4.163 20 0 EIADHO C[C@H]1CCC[N@H+](CCCCNCc2c(Cl)cccc2N(C)C)C1 ZINC001177299708 1050180768 /nfs/dbraw/zinc/18/07/68/1050180768.db2.gz ZTVCSEKEBQDAAK-INIZCTEOSA-N 1 3 337.939 4.008 20 0 EIADHO C[C@H]1CCC[N@@H+](CCCCNCc2c(Cl)cccc2N(C)C)C1 ZINC001177299708 1050180773 /nfs/dbraw/zinc/18/07/73/1050180773.db2.gz ZTVCSEKEBQDAAK-INIZCTEOSA-N 1 3 337.939 4.008 20 0 EIADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172858161 1050194992 /nfs/dbraw/zinc/19/49/92/1050194992.db2.gz CVKXIXODMJWRMM-CQSZACIVSA-N 1 3 338.898 4.407 20 0 EIADHO CCC1(CNCc2ccncc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000449216510 1050251423 /nfs/dbraw/zinc/25/14/23/1050251423.db2.gz SSRIHEKTJJGKBJ-UHFFFAOYSA-N 1 3 341.474 4.003 20 0 EIADHO CC(C)[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000091312928 1050253196 /nfs/dbraw/zinc/25/31/96/1050253196.db2.gz UVJNQFJUVDAXLK-NRFANRHFSA-N 1 3 326.484 4.114 20 0 EIADHO c1[nH]nc2c1cccc2CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001177566341 1050256121 /nfs/dbraw/zinc/25/61/21/1050256121.db2.gz SPVIDSMBNRHVHJ-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO N[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@H]1F ZINC001206187044 1050265701 /nfs/dbraw/zinc/26/57/01/1050265701.db2.gz SPPOBVFIHDKCNA-RTBURBONSA-N 1 3 348.849 4.394 20 0 EIADHO N[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@H]1F ZINC001206187044 1050265708 /nfs/dbraw/zinc/26/57/08/1050265708.db2.gz SPPOBVFIHDKCNA-RTBURBONSA-N 1 3 348.849 4.394 20 0 EIADHO Cc1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)ccc1Cl ZINC001177669167 1050273938 /nfs/dbraw/zinc/27/39/38/1050273938.db2.gz SAIKJPVKBMDQHD-HXUWFJFHSA-N 1 3 342.914 4.303 20 0 EIADHO CCCC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001173255841 1050380489 /nfs/dbraw/zinc/38/04/89/1050380489.db2.gz GVRKVCCOCLPPSD-OAQYLSRUSA-N 1 3 331.548 4.488 20 0 EIADHO Fc1cc2c(cc1F)CC(NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001173475442 1050459311 /nfs/dbraw/zinc/45/93/11/1050459311.db2.gz DZORWBVNWZTQTK-UHFFFAOYSA-N 1 3 348.481 4.066 20 0 EIADHO Fc1cc2c(cc1F)CC([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001173475442 1050459313 /nfs/dbraw/zinc/45/93/13/1050459313.db2.gz DZORWBVNWZTQTK-UHFFFAOYSA-N 1 3 348.481 4.066 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCN1CCCC1 ZINC001173551203 1050488768 /nfs/dbraw/zinc/48/87/68/1050488768.db2.gz ULDJBTCEXHYEBN-CQSZACIVSA-N 1 3 329.315 4.390 20 0 EIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093398279 1050587306 /nfs/dbraw/zinc/58/73/06/1050587306.db2.gz KSBHPZQJGDIKMT-HOTGVXAUSA-N 1 3 335.561 4.185 20 0 EIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093398279 1050587320 /nfs/dbraw/zinc/58/73/20/1050587320.db2.gz KSBHPZQJGDIKMT-HOTGVXAUSA-N 1 3 335.561 4.185 20 0 EIADHO Clc1ccc(CN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001179771854 1050766861 /nfs/dbraw/zinc/76/68/61/1050766861.db2.gz ONNNXMDUSDDZNF-SQNIBIBYSA-N 1 3 344.886 4.323 20 0 EIADHO Clc1ccc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001179771854 1050766874 /nfs/dbraw/zinc/76/68/74/1050766874.db2.gz ONNNXMDUSDDZNF-SQNIBIBYSA-N 1 3 344.886 4.323 20 0 EIADHO CCCCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1 ZINC001179816794 1050785215 /nfs/dbraw/zinc/78/52/15/1050785215.db2.gz NTXGFHPXNHPHEP-HLAWJBBLSA-N 1 3 330.516 4.076 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2CCOCC2)ccc1OC ZINC000183130389 1050988710 /nfs/dbraw/zinc/98/87/10/1050988710.db2.gz HOEWWQAIHPAKRH-SJORKVTESA-N 1 3 348.531 4.003 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)ccc1OC ZINC000183130374 1050988829 /nfs/dbraw/zinc/98/88/29/1050988829.db2.gz HOEWWQAIHPAKRH-IAGOWNOFSA-N 1 3 348.531 4.003 20 0 EIADHO CC[N@@H+](Cc1ccc(Cl)nc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076154974 1051116484 /nfs/dbraw/zinc/11/64/84/1051116484.db2.gz NXIQTPMSWCYOOB-IBGZPJMESA-N 1 3 343.902 4.079 20 0 EIADHO CC[N@H+](Cc1ccc(Cl)nc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076154974 1051116490 /nfs/dbraw/zinc/11/64/90/1051116490.db2.gz NXIQTPMSWCYOOB-IBGZPJMESA-N 1 3 343.902 4.079 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C(C2CC2)C2CC2)ccc1OC ZINC000775383964 1051176939 /nfs/dbraw/zinc/17/69/39/1051176939.db2.gz RNKNEJLVUWJOOH-OAHLLOKOSA-N 1 3 330.516 4.376 20 0 EIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCCC3(F)F)CC2)C1 ZINC001182054101 1051385970 /nfs/dbraw/zinc/38/59/70/1051385970.db2.gz SDNQLPCNFSABMC-JFIYKMOQSA-N 1 3 328.491 4.445 20 0 EIADHO c1ccc([C@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000155269495 1051398922 /nfs/dbraw/zinc/39/89/22/1051398922.db2.gz RHVSVJWHKBVIDY-RBBKRZOGSA-N 1 3 342.527 4.293 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521354 1051472016 /nfs/dbraw/zinc/47/20/16/1051472016.db2.gz PYFYREOFWSGLPC-NQIIRXRSSA-N 1 3 344.543 4.169 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521354 1051472029 /nfs/dbraw/zinc/47/20/29/1051472029.db2.gz PYFYREOFWSGLPC-NQIIRXRSSA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521354 1051472038 /nfs/dbraw/zinc/47/20/38/1051472038.db2.gz PYFYREOFWSGLPC-NQIIRXRSSA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521354 1051472046 /nfs/dbraw/zinc/47/20/46/1051472046.db2.gz PYFYREOFWSGLPC-NQIIRXRSSA-N 1 3 344.543 4.169 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774389755 1051588847 /nfs/dbraw/zinc/58/88/47/1051588847.db2.gz DYHOJMJCEGFJKI-NSHDSACASA-N 1 3 342.314 4.101 20 0 EIADHO CCc1cccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC001182683868 1051672612 /nfs/dbraw/zinc/67/26/12/1051672612.db2.gz HNIRKEHWZVVIRX-VABKMULXSA-N 1 3 334.507 4.392 20 0 EIADHO CCc1cccc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC001182683868 1051672615 /nfs/dbraw/zinc/67/26/15/1051672615.db2.gz HNIRKEHWZVVIRX-VABKMULXSA-N 1 3 334.507 4.392 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158121680 1051715834 /nfs/dbraw/zinc/71/58/34/1051715834.db2.gz ILBNBCXINLRJFN-HIFRSBDPSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158121680 1051715846 /nfs/dbraw/zinc/71/58/46/1051715846.db2.gz ILBNBCXINLRJFN-HIFRSBDPSA-N 1 3 347.503 4.250 20 0 EIADHO C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001184386272 1052001977 /nfs/dbraw/zinc/00/19/77/1052001977.db2.gz AMWFWTLGJPVKGC-OCYFJXFZSA-N 1 3 334.507 4.214 20 0 EIADHO COc1cc(CNCc2ccccc2C[N@H+](C)C(C)C)ccc1Cl ZINC000623356753 1052631285 /nfs/dbraw/zinc/63/12/85/1052631285.db2.gz FLMPSYQYPSDHGE-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO COc1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)ccc1Cl ZINC000623356753 1052631289 /nfs/dbraw/zinc/63/12/89/1052631289.db2.gz FLMPSYQYPSDHGE-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO Cc1csc([C@@H](C)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000623880877 1052829784 /nfs/dbraw/zinc/82/97/84/1052829784.db2.gz WWOOBUNKQQCVMJ-CQSZACIVSA-N 1 3 335.542 4.076 20 0 EIADHO Cc1csc([C@H](C)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000623924196 1052838821 /nfs/dbraw/zinc/83/88/21/1052838821.db2.gz VLRCZIRXESRYOW-JENIJYKNSA-N 1 3 343.540 4.403 20 0 EIADHO Cc1csc([C@H](C)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000623924196 1052838824 /nfs/dbraw/zinc/83/88/24/1052838824.db2.gz VLRCZIRXESRYOW-JENIJYKNSA-N 1 3 343.540 4.403 20 0 EIADHO C[C@H](NCCSc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706586 1053021008 /nfs/dbraw/zinc/02/10/08/1053021008.db2.gz DKESLWHYHAKWCM-JKSUJKDBSA-N 1 3 336.520 4.160 20 0 EIADHO C[C@H](NCCSc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706586 1053021010 /nfs/dbraw/zinc/02/10/10/1053021010.db2.gz DKESLWHYHAKWCM-JKSUJKDBSA-N 1 3 336.520 4.160 20 0 EIADHO CCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381131100 1053054553 /nfs/dbraw/zinc/05/45/53/1053054553.db2.gz KHCIPDQMARXAJU-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO CCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381131100 1053054557 /nfs/dbraw/zinc/05/45/57/1053054557.db2.gz KHCIPDQMARXAJU-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO Clc1cccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001203800852 1053087712 /nfs/dbraw/zinc/08/77/12/1053087712.db2.gz GNFIRUGXWRALFD-UHFFFAOYSA-N 1 3 340.898 4.438 20 0 EIADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)nc1 ZINC000850387301 1053158194 /nfs/dbraw/zinc/15/81/94/1053158194.db2.gz QQGGLMOQBNZEKR-PGRDOPGGSA-N 1 3 341.543 4.180 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000775628275 1053220331 /nfs/dbraw/zinc/22/03/31/1053220331.db2.gz QSTOMFVCZAVHFI-QUCCMNQESA-N 1 3 347.506 4.383 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850514254 1053275559 /nfs/dbraw/zinc/27/55/59/1053275559.db2.gz LUDYRXPJDBXXIB-QGZVFWFLSA-N 1 3 341.474 4.092 20 0 EIADHO C[C@]1(C[NH2+]Cc2ccc(C(F)F)nc2)CCN(Cc2ccccc2)C1 ZINC000865555380 1053546692 /nfs/dbraw/zinc/54/66/92/1053546692.db2.gz YTCVZXHBBBPMKZ-HXUWFJFHSA-N 1 3 345.437 4.021 20 0 EIADHO C[NH+]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001196799982 1053756684 /nfs/dbraw/zinc/75/66/84/1053756684.db2.gz ZGYJJEBYDDGDIK-UHFFFAOYSA-N 1 3 326.406 4.013 20 0 EIADHO C[NH+](C)C1(C)CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000866517375 1053765121 /nfs/dbraw/zinc/76/51/21/1053765121.db2.gz IBJUMCDNSJHPNA-CKHPTIKVSA-N 1 3 341.474 4.163 20 0 EIADHO CC(C)Oc1cccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001199045743 1054331367 /nfs/dbraw/zinc/33/13/67/1054331367.db2.gz RFURNQVTEIMNSL-UHFFFAOYSA-N 1 3 338.495 4.359 20 0 EIADHO COc1c(C)cc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1Cl ZINC000873235558 1054512180 /nfs/dbraw/zinc/51/21/80/1054512180.db2.gz ONYMQSCCSSFUAE-CQSZACIVSA-N 1 3 344.886 4.154 20 0 EIADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)CC(C)C)CC1 ZINC001200933680 1054582603 /nfs/dbraw/zinc/58/26/03/1054582603.db2.gz ZPXIHTVNXLKZHC-UHFFFAOYSA-N 1 3 345.575 4.381 20 0 EIADHO C[C@H]([NH2+]C/C=C\c1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001201705172 1054882215 /nfs/dbraw/zinc/88/22/15/1054882215.db2.gz XGJFNCNFSCXVHX-NSSQAQOMSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cccnc1 ZINC000112528582 1055236063 /nfs/dbraw/zinc/23/60/63/1055236063.db2.gz XLAUUHRRRAYEAO-QRVBRYPASA-N 1 3 337.511 4.410 20 0 EIADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166429847 1055752637 /nfs/dbraw/zinc/75/26/37/1055752637.db2.gz UQRCYTWKTGNMQA-UHOFOFEASA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166429847 1055752658 /nfs/dbraw/zinc/75/26/58/1055752658.db2.gz UQRCYTWKTGNMQA-UHOFOFEASA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166429647 1055753693 /nfs/dbraw/zinc/75/36/93/1055753693.db2.gz UQRCYTWKTGNMQA-DAXOMENPSA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166429647 1055753716 /nfs/dbraw/zinc/75/37/16/1055753716.db2.gz UQRCYTWKTGNMQA-DAXOMENPSA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474482805 1055887469 /nfs/dbraw/zinc/88/74/69/1055887469.db2.gz PBEZPRWOVSGWPS-GTPINHCMSA-N 1 3 334.470 4.455 20 0 EIADHO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)cc2)cc1 ZINC001169107463 1060657987 /nfs/dbraw/zinc/65/79/87/1060657987.db2.gz HJXNNMLGTVNXAC-WKCHPHFGSA-N 1 3 336.479 4.077 20 0 EIADHO CC[NH+]1CCC(N[C@H](C)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001169222073 1060700437 /nfs/dbraw/zinc/70/04/37/1060700437.db2.gz ZTAHAAGMIHEMOV-OAHLLOKOSA-N 1 3 347.503 4.169 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@H](CC1CC1)c1ccccc1 ZINC000532206133 1032091923 /nfs/dbraw/zinc/09/19/23/1032091923.db2.gz FFYYCJOHXFVIPM-OAQYLSRUSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)C1CCC(N2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000450485713 1032527794 /nfs/dbraw/zinc/52/77/94/1032527794.db2.gz KAPCNXWYAVYFAG-LZBANZJXSA-N 1 3 349.607 4.082 20 0 EIADHO CC(C)C1CCC(N2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000450485713 1032527803 /nfs/dbraw/zinc/52/78/03/1032527803.db2.gz KAPCNXWYAVYFAG-LZBANZJXSA-N 1 3 349.607 4.082 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430153503 1018881273 /nfs/dbraw/zinc/88/12/73/1018881273.db2.gz YKIUTYASICHIHX-BXBOZWQASA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430153503 1018881274 /nfs/dbraw/zinc/88/12/74/1018881274.db2.gz YKIUTYASICHIHX-BXBOZWQASA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430153506 1018881527 /nfs/dbraw/zinc/88/15/27/1018881527.db2.gz YKIUTYASICHIHX-SPQRHKFCSA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430153506 1018881531 /nfs/dbraw/zinc/88/15/31/1018881531.db2.gz YKIUTYASICHIHX-SPQRHKFCSA-N 1 3 338.417 4.136 20 0 EIADHO CN1CCC[C@@H](C[N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001208608398 1019447279 /nfs/dbraw/zinc/44/72/79/1019447279.db2.gz IQAJPTODASRYOP-KGLIPLIRSA-N 1 3 327.299 4.125 20 0 EIADHO CN1CCC[C@@H](C[N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001208608398 1019447284 /nfs/dbraw/zinc/44/72/84/1019447284.db2.gz IQAJPTODASRYOP-KGLIPLIRSA-N 1 3 327.299 4.125 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(CSC(F)F)o1 ZINC000120620042 1019897858 /nfs/dbraw/zinc/89/78/58/1019897858.db2.gz CGAZTZKONSVHGM-CQSZACIVSA-N 1 3 346.487 4.480 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(CSC(F)F)o1 ZINC000120620042 1019897859 /nfs/dbraw/zinc/89/78/59/1019897859.db2.gz CGAZTZKONSVHGM-CQSZACIVSA-N 1 3 346.487 4.480 20 0 EIADHO CC1CC[NH+](CCCCNCc2ccc(CSC(F)F)o2)CC1 ZINC000120622843 1019909641 /nfs/dbraw/zinc/90/96/41/1019909641.db2.gz FCFMVFIMJLUSCI-UHFFFAOYSA-N 1 3 346.487 4.337 20 0 EIADHO Cc1cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)sc1Br ZINC000510199094 1020433830 /nfs/dbraw/zinc/43/38/30/1020433830.db2.gz LSSVAMJMCXMVMR-NSHDSACASA-N 1 3 333.339 4.057 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398172917 1020515451 /nfs/dbraw/zinc/51/54/51/1020515451.db2.gz IGWVBDGHPDVTFL-FGSXEWAUSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398172917 1020515469 /nfs/dbraw/zinc/51/54/69/1020515469.db2.gz IGWVBDGHPDVTFL-FGSXEWAUSA-N 1 3 338.495 4.256 20 0 EIADHO C([C@@H]1CCCN(CC2([C@H]3CCCCO3)CCC2)C1)[NH+]1CCCCCC1 ZINC001167326740 1021130021 /nfs/dbraw/zinc/13/00/21/1021130021.db2.gz PZNQJMKXBZEGJD-LEWJYISDSA-N 1 3 348.575 4.314 20 0 EIADHO COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(C)C ZINC000892509666 1021309876 /nfs/dbraw/zinc/30/98/76/1021309876.db2.gz AEHSIOMRCUGANN-UXDRXVOSSA-N 1 3 346.515 4.006 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000177977868 1021837437 /nfs/dbraw/zinc/83/74/37/1021837437.db2.gz VIYSAWJWQVKZMK-QGZVFWFLSA-N 1 3 338.495 4.313 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000177977868 1021837439 /nfs/dbraw/zinc/83/74/39/1021837439.db2.gz VIYSAWJWQVKZMK-QGZVFWFLSA-N 1 3 338.495 4.313 20 0 EIADHO COc1ccccc1[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089554973 1021932969 /nfs/dbraw/zinc/93/29/69/1021932969.db2.gz LDWRYKZKUPTYLC-JTSKRJEESA-N 1 3 338.495 4.105 20 0 EIADHO C[N@@H+]1CCC[C@@H](CNCc2cc3ccccc3[nH]2)[C@@H]1c1cccs1 ZINC000683930267 1021998794 /nfs/dbraw/zinc/99/87/94/1021998794.db2.gz YITXFXZDCDRIGH-OXJNMPFZSA-N 1 3 339.508 4.402 20 0 EIADHO C[N@H+]1CCC[C@@H](CNCc2cc3ccccc3[nH]2)[C@@H]1c1cccs1 ZINC000683930267 1021998816 /nfs/dbraw/zinc/99/88/16/1021998816.db2.gz YITXFXZDCDRIGH-OXJNMPFZSA-N 1 3 339.508 4.402 20 0 EIADHO CN1CCCC[C@@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000926754622 1022279711 /nfs/dbraw/zinc/27/97/11/1022279711.db2.gz PUCXLWZOUPOOIN-LBPRGKRZSA-N 1 3 348.375 4.362 20 0 EIADHO Cc1cc(CNCc2ccc(C[NH+](C)C)cc2)ccc1C(F)(F)F ZINC000414258812 1022336713 /nfs/dbraw/zinc/33/67/13/1022336713.db2.gz MERACLNMIXXKNU-UHFFFAOYSA-N 1 3 336.401 4.365 20 0 EIADHO COc1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C ZINC000580945758 1022733828 /nfs/dbraw/zinc/73/38/28/1022733828.db2.gz ZVIQVSWXRBGARS-FXAWDEMLSA-N 1 3 344.524 4.238 20 0 EIADHO COc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1C ZINC000580945758 1022733849 /nfs/dbraw/zinc/73/38/49/1022733849.db2.gz ZVIQVSWXRBGARS-FXAWDEMLSA-N 1 3 344.524 4.238 20 0 EIADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-c3ccccc3)s2)CC1 ZINC000472604643 1022818251 /nfs/dbraw/zinc/81/82/51/1022818251.db2.gz ZABAGSUKAAJGFD-UHFFFAOYSA-N 1 3 326.509 4.475 20 0 EIADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-c3ccccc3)s2)CC1 ZINC000472604643 1022818253 /nfs/dbraw/zinc/81/82/53/1022818253.db2.gz ZABAGSUKAAJGFD-UHFFFAOYSA-N 1 3 326.509 4.475 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)CSC)cc1CN1CCCCC1 ZINC000182995977 1022838742 /nfs/dbraw/zinc/83/87/42/1022838742.db2.gz RIBHBZONMAPQAY-JKSUJKDBSA-N 1 3 336.545 4.083 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)ccc1OC ZINC000183421095 1022863321 /nfs/dbraw/zinc/86/33/21/1022863321.db2.gz MPNRSFOMGIPNAS-ZACQAIPSSA-N 1 3 348.531 4.144 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000065976566 1022874247 /nfs/dbraw/zinc/87/42/47/1022874247.db2.gz JPGMODMBVBRUSZ-UHFFFAOYSA-N 1 3 348.494 4.207 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1 ZINC000065976566 1022874250 /nfs/dbraw/zinc/87/42/50/1022874250.db2.gz JPGMODMBVBRUSZ-UHFFFAOYSA-N 1 3 348.494 4.207 20 0 EIADHO Cc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1Cl ZINC000581397617 1023105780 /nfs/dbraw/zinc/10/57/80/1023105780.db2.gz DTEXWEKBSDKFMK-INIZCTEOSA-N 1 3 346.902 4.440 20 0 EIADHO CN(CCCOc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000605421259 1023269125 /nfs/dbraw/zinc/26/91/25/1023269125.db2.gz WVTBJLWGTAWXJN-GOSISDBHSA-N 1 3 332.532 4.027 20 0 EIADHO CN(CCCOc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000605421259 1023269131 /nfs/dbraw/zinc/26/91/31/1023269131.db2.gz WVTBJLWGTAWXJN-GOSISDBHSA-N 1 3 332.532 4.027 20 0 EIADHO CC[NH+]1CCC(N[C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000581577624 1023380143 /nfs/dbraw/zinc/38/01/43/1023380143.db2.gz NGMZFHGXLGWLRU-JOCHJYFZSA-N 1 3 338.495 4.053 20 0 EIADHO COc1cccc(SCCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000660257464 1023396538 /nfs/dbraw/zinc/39/65/38/1023396538.db2.gz TZZSCRKNKKBFNG-IRXDYDNUSA-N 1 3 348.556 4.030 20 0 EIADHO COc1cccc(SCCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000660257464 1023396550 /nfs/dbraw/zinc/39/65/50/1023396550.db2.gz TZZSCRKNKKBFNG-IRXDYDNUSA-N 1 3 348.556 4.030 20 0 EIADHO [NH3+]CCC[C@H](NCc1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000415049963 1023408212 /nfs/dbraw/zinc/40/82/12/1023408212.db2.gz HYUUPUUAQRPHTG-AWEZNQCLSA-N 1 3 328.403 4.337 20 0 EIADHO [NH3+]CCC[C@H](NCc1csc(Br)c1)c1ccccc1 ZINC000415058144 1023410739 /nfs/dbraw/zinc/41/07/39/1023410739.db2.gz SRQJJWOAZBNATI-AWEZNQCLSA-N 1 3 339.302 4.080 20 0 EIADHO [NH3+]CCC[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000415056731 1023410810 /nfs/dbraw/zinc/41/08/10/1023410810.db2.gz QMFOIOVMHDXVBF-QGZVFWFLSA-N 1 3 343.521 4.441 20 0 EIADHO C[C@]1(CNCc2cccc3cc[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000310970410 1023495297 /nfs/dbraw/zinc/49/52/97/1023495297.db2.gz DERVVDQDYSFKTG-JOCHJYFZSA-N 1 3 333.479 4.170 20 0 EIADHO C[C@]1(CNCc2cccc3cc[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310970410 1023495304 /nfs/dbraw/zinc/49/53/04/1023495304.db2.gz DERVVDQDYSFKTG-JOCHJYFZSA-N 1 3 333.479 4.170 20 0 EIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510699560 1024250291 /nfs/dbraw/zinc/25/02/91/1024250291.db2.gz BZSMHBUQTFDQRG-WBVHZDCISA-N 1 3 342.449 4.348 20 0 EIADHO Cc1ccc(-c2ncc(CN3CCC(CC[NH+](C)C)CC3)s2)cc1 ZINC000092381386 1024799465 /nfs/dbraw/zinc/79/94/65/1024799465.db2.gz DJGUVBXXKYFPPU-UHFFFAOYSA-N 1 3 343.540 4.282 20 0 EIADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000342105002 1025258915 /nfs/dbraw/zinc/25/89/15/1025258915.db2.gz XZYSKNFIVMDDGL-MRXNPFEDSA-N 1 3 338.923 4.224 20 0 EIADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CCN(CC4CCCC4)CC3)C2)c1 ZINC000500449338 1025694981 /nfs/dbraw/zinc/69/49/81/1025694981.db2.gz YXMRQDFBHAFWKO-DENIHFKCSA-N 1 3 341.543 4.352 20 0 EIADHO C[C@H](CCC[NH3+])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000415023765 1025857187 /nfs/dbraw/zinc/85/71/87/1025857187.db2.gz NOZXJOJVTFVAAG-LLVKDONJSA-N 1 3 343.418 4.046 20 0 EIADHO COCc1csc(CNCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000657308310 1025862443 /nfs/dbraw/zinc/86/24/43/1025862443.db2.gz QADGKIPMVNSQTI-UHFFFAOYSA-N 1 3 332.513 4.025 20 0 EIADHO COCc1csc(CNCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000657308310 1025862449 /nfs/dbraw/zinc/86/24/49/1025862449.db2.gz QADGKIPMVNSQTI-UHFFFAOYSA-N 1 3 332.513 4.025 20 0 EIADHO c1ccc([C@H](CC2CCC2)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000344110850 1026027401 /nfs/dbraw/zinc/02/74/01/1026027401.db2.gz GPPYDVCROJGZNW-UGKGYDQZSA-N 1 3 342.527 4.008 20 0 EIADHO COCc1csc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000657332570 1026143373 /nfs/dbraw/zinc/14/33/73/1026143373.db2.gz JECCWGWXCHPPLG-UHFFFAOYSA-N 1 3 332.513 4.025 20 0 EIADHO COCc1csc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000657332570 1026143384 /nfs/dbraw/zinc/14/33/84/1026143384.db2.gz JECCWGWXCHPPLG-UHFFFAOYSA-N 1 3 332.513 4.025 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000506883988 1026487563 /nfs/dbraw/zinc/48/75/63/1026487563.db2.gz IXVLECYSWQCHHO-UHFFFAOYSA-N 1 3 348.579 4.199 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000506883988 1026487572 /nfs/dbraw/zinc/48/75/72/1026487572.db2.gz IXVLECYSWQCHHO-UHFFFAOYSA-N 1 3 348.579 4.199 20 0 EIADHO C[NH+](C)CC1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000506928439 1026532438 /nfs/dbraw/zinc/53/24/38/1026532438.db2.gz RNUGFEOCMOODQC-UHFFFAOYSA-N 1 3 338.495 4.039 20 0 EIADHO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000507531758 1026829275 /nfs/dbraw/zinc/82/92/75/1026829275.db2.gz RKMVCTMSPFKVBF-MTFMMBMASA-N 1 3 332.557 4.018 20 0 EIADHO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCN(C4CC4)C3)s2)cc1C ZINC000655717124 1027219214 /nfs/dbraw/zinc/21/92/14/1027219214.db2.gz VFLOFFGMZJDQPE-MRXNPFEDSA-N 1 3 341.524 4.001 20 0 EIADHO Cc1ccc2[nH+]ccc(NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000302106884 1027219516 /nfs/dbraw/zinc/21/95/16/1027219516.db2.gz ACMBCQIKYSINGM-UHFFFAOYSA-N 1 3 332.451 4.015 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441399028 1027520755 /nfs/dbraw/zinc/52/07/55/1027520755.db2.gz UEJKRHDGQKEZTK-PZJWPPBQSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441399028 1027520766 /nfs/dbraw/zinc/52/07/66/1027520766.db2.gz UEJKRHDGQKEZTK-PZJWPPBQSA-N 1 3 342.527 4.021 20 0 EIADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000112517474 1027581112 /nfs/dbraw/zinc/58/11/12/1027581112.db2.gz YOYCDGRUTBEDHD-CQSZACIVSA-N 1 3 332.875 4.261 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648116 1027843327 /nfs/dbraw/zinc/84/33/27/1027843327.db2.gz RIYKVYBVUJUIQP-AZUAARDMSA-N 1 3 326.509 4.331 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648116 1027843332 /nfs/dbraw/zinc/84/33/32/1027843332.db2.gz RIYKVYBVUJUIQP-AZUAARDMSA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648116 1027843346 /nfs/dbraw/zinc/84/33/46/1027843346.db2.gz RIYKVYBVUJUIQP-AZUAARDMSA-N 1 3 326.509 4.331 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccsc4)cc3)CC[C@H]21 ZINC001167648116 1027843350 /nfs/dbraw/zinc/84/33/50/1027843350.db2.gz RIYKVYBVUJUIQP-AZUAARDMSA-N 1 3 326.509 4.331 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000281088740 1028372025 /nfs/dbraw/zinc/37/20/25/1028372025.db2.gz AGCFFFBCBCPGFW-HXUWFJFHSA-N 1 3 342.458 4.063 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000281088740 1028372044 /nfs/dbraw/zinc/37/20/44/1028372044.db2.gz AGCFFFBCBCPGFW-HXUWFJFHSA-N 1 3 342.458 4.063 20 0 EIADHO Cc1ccc(CNCc2ccc(OCCC[NH+](C)C)cc2)cc1Cl ZINC000443988669 1028710133 /nfs/dbraw/zinc/71/01/33/1028710133.db2.gz IWOCNHFCQKDOCV-UHFFFAOYSA-N 1 3 346.902 4.269 20 0 EIADHO CC(C)CC[NH+]1CCC(CNCc2cnc(C(F)(F)F)s2)CC1 ZINC000444004262 1028725909 /nfs/dbraw/zinc/72/59/09/1028725909.db2.gz QJHUGZDLVDFFEU-UHFFFAOYSA-N 1 3 349.466 4.010 20 0 EIADHO CC(C)C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000647302036 1028991310 /nfs/dbraw/zinc/99/13/10/1028991310.db2.gz PKUBGQGLNVZYJC-IFMALSPDSA-N 1 3 337.511 4.281 20 0 EIADHO CC(C)C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000647302036 1028991329 /nfs/dbraw/zinc/99/13/29/1028991329.db2.gz PKUBGQGLNVZYJC-IFMALSPDSA-N 1 3 337.511 4.281 20 0 EIADHO CC[C@H](OCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742526 1029057169 /nfs/dbraw/zinc/05/71/69/1029057169.db2.gz ZPFBRCKTYCTISJ-NCYKPQTJSA-N 1 3 330.516 4.055 20 0 EIADHO [NH3+]CC1(CCN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000650746078 1029082633 /nfs/dbraw/zinc/08/26/33/1029082633.db2.gz VNIPSWVIAWBGSE-SFHVURJKSA-N 1 3 332.850 4.287 20 0 EIADHO CCCCOc1ccc([C@@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650756035 1029183561 /nfs/dbraw/zinc/18/35/61/1029183561.db2.gz SAMNUBKMCIJHIY-QGZVFWFLSA-N 1 3 326.484 4.436 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000650758117 1029219437 /nfs/dbraw/zinc/21/94/37/1029219437.db2.gz JOJUZLHPKJEUQB-ZDUSSCGKSA-N 1 3 338.373 4.155 20 0 EIADHO CCc1ncc(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)s1 ZINC000536141233 1029254099 /nfs/dbraw/zinc/25/40/99/1029254099.db2.gz PPXXLBPDSCCPSA-UHFFFAOYSA-N 1 3 335.561 4.040 20 0 EIADHO CCc1ncc(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)s1 ZINC000536141233 1029254116 /nfs/dbraw/zinc/25/41/16/1029254116.db2.gz PPXXLBPDSCCPSA-UHFFFAOYSA-N 1 3 335.561 4.040 20 0 EIADHO c1sc(-c2ccccc2)nc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657811480 1029431513 /nfs/dbraw/zinc/43/15/13/1029431513.db2.gz DAKQUOHFCQMUIR-UHFFFAOYSA-N 1 3 341.524 4.022 20 0 EIADHO Fc1ccc([C@H]2CC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000475351570 1029566278 /nfs/dbraw/zinc/56/62/78/1029566278.db2.gz TYDCUZPMAZPMMV-PXNSSMCTSA-N 1 3 330.491 4.458 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000584140662 1029640651 /nfs/dbraw/zinc/64/06/51/1029640651.db2.gz SBADXBSZNSHYNR-UWJYYQICSA-N 1 3 338.495 4.134 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000584140662 1029640653 /nfs/dbraw/zinc/64/06/53/1029640653.db2.gz SBADXBSZNSHYNR-UWJYYQICSA-N 1 3 338.495 4.134 20 0 EIADHO C[N@@H+]1CC[C@@H](CNCc2ccc3occc3c2)[C@@H]1c1cccs1 ZINC000375751891 1029865141 /nfs/dbraw/zinc/86/51/41/1029865141.db2.gz YBYZZMBGUXNQDJ-QFBILLFUSA-N 1 3 326.465 4.277 20 0 EIADHO C[N@H+]1CC[C@@H](CNCc2ccc3occc3c2)[C@@H]1c1cccs1 ZINC000375751891 1029865145 /nfs/dbraw/zinc/86/51/45/1029865145.db2.gz YBYZZMBGUXNQDJ-QFBILLFUSA-N 1 3 326.465 4.277 20 0 EIADHO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000090522558 1029867119 /nfs/dbraw/zinc/86/71/19/1029867119.db2.gz JFXVAURZBMYVNH-FKBYEOEOSA-N 1 3 344.543 4.131 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1sc(C)nc1C ZINC000170972816 1029968710 /nfs/dbraw/zinc/96/87/10/1029968710.db2.gz HIBFFHSEOOMYOS-AWEZNQCLSA-N 1 3 331.529 4.453 20 0 EIADHO CCC[NH+]1CCC(N[C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000204974971 1030127226 /nfs/dbraw/zinc/12/72/26/1030127226.db2.gz OEEMLHHQHZVGKA-HXUWFJFHSA-N 1 3 325.500 4.318 20 0 EIADHO Clc1ccc2c(c1)CC[C@H]2N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000530217930 1030224215 /nfs/dbraw/zinc/22/42/15/1030224215.db2.gz CUYJBJOIXGCIRF-DFQSSKMNSA-N 1 3 326.871 4.410 20 0 EIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc(F)c(F)c2)CC1 ZINC000530329388 1030318804 /nfs/dbraw/zinc/31/88/04/1030318804.db2.gz XQBLYLKXRKAWKH-YWZLYKJASA-N 1 3 336.470 4.140 20 0 EIADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2ccc(F)nc2)cc1 ZINC000188985473 1030434156 /nfs/dbraw/zinc/43/41/56/1030434156.db2.gz QZKPXAUQNDSCDX-UHFFFAOYSA-N 1 3 349.453 4.239 20 0 EIADHO C[C@H](CCSc1ccccc1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000431607620 1030474822 /nfs/dbraw/zinc/47/48/22/1030474822.db2.gz IIYDPFJVKASULJ-IEBWSBKVSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@H](CCSc1ccccc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000431607620 1030474829 /nfs/dbraw/zinc/47/48/29/1030474829.db2.gz IIYDPFJVKASULJ-IEBWSBKVSA-N 1 3 332.557 4.221 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133010 1030712569 /nfs/dbraw/zinc/71/25/69/1030712569.db2.gz KDLIBUYHNUNNGB-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133010 1030712592 /nfs/dbraw/zinc/71/25/92/1030712592.db2.gz KDLIBUYHNUNNGB-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179850 1030728987 /nfs/dbraw/zinc/72/89/87/1030728987.db2.gz WUURNDQBGOEJMI-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179850 1030729012 /nfs/dbraw/zinc/72/90/12/1030729012.db2.gz WUURNDQBGOEJMI-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)c1O ZINC000398182641 1030733206 /nfs/dbraw/zinc/73/32/06/1030733206.db2.gz KKMMTTGOQHOVJI-RXVVDRJESA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)c1O ZINC000398182641 1030733241 /nfs/dbraw/zinc/73/32/41/1030733241.db2.gz KKMMTTGOQHOVJI-RXVVDRJESA-N 1 3 338.495 4.009 20 0 EIADHO c1cc2ccc(CNCc3ccc(C[NH+]4CCCCC4)cc3)cc2[nH]1 ZINC000527632495 1030787201 /nfs/dbraw/zinc/78/72/01/1030787201.db2.gz OWPKAAJWNMZGCC-UHFFFAOYSA-N 1 3 333.479 4.444 20 0 EIADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658168740 1030866018 /nfs/dbraw/zinc/86/60/18/1030866018.db2.gz YFOPRLCRJFSGNX-QHCPKHFHSA-N 1 3 349.522 4.269 20 0 EIADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658168741 1030866598 /nfs/dbraw/zinc/86/65/98/1030866598.db2.gz YGVHGQVWWQPWAS-INIZCTEOSA-N 1 3 329.513 4.014 20 0 EIADHO Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000658240092 1030898314 /nfs/dbraw/zinc/89/83/14/1030898314.db2.gz XSYQYZFFSBKZDS-SRYPRDQNSA-N 1 3 348.490 4.165 20 0 EIADHO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527964479 1031007899 /nfs/dbraw/zinc/00/78/99/1031007899.db2.gz KSCRHKLTRJXPFS-AVCGJXAMSA-N 1 3 349.522 4.423 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000532454363 1031089436 /nfs/dbraw/zinc/08/94/36/1031089436.db2.gz UBJVEHSEDJIFEM-GOSISDBHSA-N 1 3 338.495 4.499 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000532469189 1031148545 /nfs/dbraw/zinc/14/85/45/1031148545.db2.gz MPCNBZGDBIKGNO-WIYYLYMNSA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C ZINC000532469189 1031148558 /nfs/dbraw/zinc/14/85/58/1031148558.db2.gz MPCNBZGDBIKGNO-WIYYLYMNSA-N 1 3 338.495 4.004 20 0 EIADHO CSc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000061735353 1031206762 /nfs/dbraw/zinc/20/67/62/1031206762.db2.gz LGXDXRCABYIKFF-UHFFFAOYSA-N 1 3 332.557 4.497 20 0 EIADHO C1CCC(OC2CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)C1 ZINC000449189926 1031509121 /nfs/dbraw/zinc/50/91/21/1031509121.db2.gz VSCAMOFRUVVZIQ-UHFFFAOYSA-N 1 3 334.548 4.253 20 0 EIADHO COCC1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000449338107 1031655961 /nfs/dbraw/zinc/65/59/61/1031655961.db2.gz RNKCRZBIFMILQM-ATKRNPRHSA-N 1 3 344.543 4.084 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972414 1031910508 /nfs/dbraw/zinc/91/05/08/1031910508.db2.gz RIVLNIKSUXKXEW-UTKZUKDTSA-N 1 3 344.449 4.180 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972414 1031910522 /nfs/dbraw/zinc/91/05/22/1031910522.db2.gz RIVLNIKSUXKXEW-UTKZUKDTSA-N 1 3 344.449 4.180 20 0 EIADHO C[N@H+](CCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1)C1CC1 ZINC000453418465 1031951478 /nfs/dbraw/zinc/95/14/78/1031951478.db2.gz YEGAECCSMHKKMO-JOCHJYFZSA-N 1 3 349.478 4.381 20 0 EIADHO C[N@@H+](CCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1)C1CC1 ZINC000453418465 1031951492 /nfs/dbraw/zinc/95/14/92/1031951492.db2.gz YEGAECCSMHKKMO-JOCHJYFZSA-N 1 3 349.478 4.381 20 0 EIADHO C[C@H](NCCc1c(F)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424364 1032053568 /nfs/dbraw/zinc/05/35/68/1032053568.db2.gz LGDLBJZRLUBRJV-GJZGRUSLSA-N 1 3 338.898 4.264 20 0 EIADHO C[C@H](NCCc1c(F)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424364 1032053596 /nfs/dbraw/zinc/05/35/96/1032053596.db2.gz LGDLBJZRLUBRJV-GJZGRUSLSA-N 1 3 338.898 4.264 20 0 EIADHO CSCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512633896 1033569697 /nfs/dbraw/zinc/56/96/97/1033569697.db2.gz AWGPDSDOTGQSFS-SLFFLAALSA-N 1 3 332.557 4.020 20 0 EIADHO c1ccc(C(CNC2CC([NH+]3CCCCC3)C2)c2ccccc2)cc1 ZINC000513381585 1034898771 /nfs/dbraw/zinc/89/87/71/1034898771.db2.gz SEEKJZJTRBZMCW-UHFFFAOYSA-N 1 3 334.507 4.425 20 0 EIADHO Cc1ccccc1[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000500985354 1035337466 /nfs/dbraw/zinc/33/74/66/1035337466.db2.gz RREMORLBRPOSRM-NRFANRHFSA-N 1 3 345.575 4.088 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000501380183 1035430233 /nfs/dbraw/zinc/43/02/33/1035430233.db2.gz CUIZLRKKNOWIDT-IPJDOKCGSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000501380183 1035430237 /nfs/dbraw/zinc/43/02/37/1035430237.db2.gz CUIZLRKKNOWIDT-IPJDOKCGSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000501380183 1035430244 /nfs/dbraw/zinc/43/02/44/1035430244.db2.gz CUIZLRKKNOWIDT-IPJDOKCGSA-N 1 3 338.417 4.183 20 0 EIADHO CCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1OCC ZINC000501794444 1035606103 /nfs/dbraw/zinc/60/61/03/1035606103.db2.gz LFGWKXKFPTULHU-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000575200897 1035723522 /nfs/dbraw/zinc/72/35/22/1035723522.db2.gz NNZCQPBRGJCWMR-SVMVAKDDSA-N 1 3 344.543 4.352 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000575200897 1035723544 /nfs/dbraw/zinc/72/35/44/1035723544.db2.gz NNZCQPBRGJCWMR-SVMVAKDDSA-N 1 3 344.543 4.352 20 0 EIADHO C[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951050 1035754552 /nfs/dbraw/zinc/75/45/52/1035754552.db2.gz OBQYKHKYSRXORP-PBHICJAKSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951050 1035754585 /nfs/dbraw/zinc/75/45/85/1035754585.db2.gz OBQYKHKYSRXORP-PBHICJAKSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@H](CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951050 1035754607 /nfs/dbraw/zinc/75/46/07/1035754607.db2.gz OBQYKHKYSRXORP-PBHICJAKSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090594 1035942359 /nfs/dbraw/zinc/94/23/59/1035942359.db2.gz GHUSSRTXJLVXLT-KSSFIOAISA-N 1 3 332.488 4.326 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090594 1035942388 /nfs/dbraw/zinc/94/23/88/1035942388.db2.gz GHUSSRTXJLVXLT-KSSFIOAISA-N 1 3 332.488 4.326 20 0 EIADHO CCCCOc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1OC ZINC000571682777 1036116287 /nfs/dbraw/zinc/11/62/87/1036116287.db2.gz WKQJLLKKCVYEAL-INIZCTEOSA-N 1 3 342.483 4.184 20 0 EIADHO Clc1ccc(O[C@H]2CCC[N@@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168387286 1036678201 /nfs/dbraw/zinc/67/82/01/1036678201.db2.gz BUFDHBPKDKPAAK-FQEVSTJZSA-N 1 3 348.918 4.058 20 0 EIADHO Clc1ccc(O[C@H]2CCC[N@H+](C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168387286 1036678212 /nfs/dbraw/zinc/67/82/12/1036678212.db2.gz BUFDHBPKDKPAAK-FQEVSTJZSA-N 1 3 348.918 4.058 20 0 EIADHO c1ccc2c(CNCc3ccc(C[NH+]4CCCCCC4)cc3)n[nH]c2c1 ZINC000589647164 1036858614 /nfs/dbraw/zinc/85/86/14/1036858614.db2.gz JVPPUQOQLVPGHP-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO c1ccc2c(c1)n[nH]c2CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000589647164 1036858616 /nfs/dbraw/zinc/85/86/16/1036858616.db2.gz JVPPUQOQLVPGHP-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000486935524 1036908006 /nfs/dbraw/zinc/90/80/06/1036908006.db2.gz JKOJRLHJEKUGPQ-OCTSTCLRSA-N 1 3 335.495 4.117 20 0 EIADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000486935524 1036908038 /nfs/dbraw/zinc/90/80/38/1036908038.db2.gz JKOJRLHJEKUGPQ-OCTSTCLRSA-N 1 3 335.495 4.117 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271812514 1037022082 /nfs/dbraw/zinc/02/20/82/1037022082.db2.gz BAYILPDKMBTMGX-CYBMUJFWSA-N 1 3 345.487 4.170 20 0 EIADHO Fc1ccc([C@H]([NH2+]C2CCN(CC3CC3)CC2)C2CC2)cc1Cl ZINC000573316610 1037476727 /nfs/dbraw/zinc/47/67/27/1037476727.db2.gz BQDPMKRLJJCZSS-LJQANCHMSA-N 1 3 336.882 4.394 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422734213 1037808786 /nfs/dbraw/zinc/80/87/86/1037808786.db2.gz SJCJTKZTEVKKAC-ZDUSSCGKSA-N 1 3 331.891 4.131 20 0 EIADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000422746699 1037824578 /nfs/dbraw/zinc/82/45/78/1037824578.db2.gz WYOQVTUGDJZLBG-YSIASYRMSA-N 1 3 325.500 4.103 20 0 EIADHO c1ccc([C@@H]2C[C@@H](NCc3ccc(-c4ccncc4)cc3)CC[NH2+]2)cc1 ZINC000422773190 1037830598 /nfs/dbraw/zinc/83/05/98/1037830598.db2.gz TXUVACJESDDCPT-GOTSBHOMSA-N 1 3 343.474 4.332 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000422788102 1037834248 /nfs/dbraw/zinc/83/42/48/1037834248.db2.gz VESUDZWLVGQYRW-AUUYWEPGSA-N 1 3 329.463 4.426 20 0 EIADHO COc1ccc([C@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)c(C)c1 ZINC000422797010 1037834302 /nfs/dbraw/zinc/83/43/02/1037834302.db2.gz KWNOHSFJYVDNBS-QRWLVFNGSA-N 1 3 346.902 4.463 20 0 EIADHO c1csc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)c1 ZINC000422796660 1037835652 /nfs/dbraw/zinc/83/56/52/1037835652.db2.gz KCJYFCAMMFELOX-AHRSYUTCSA-N 1 3 340.492 4.045 20 0 EIADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422804651 1037837457 /nfs/dbraw/zinc/83/74/57/1037837457.db2.gz HZLWWIINTYYVGC-YCZSINBZSA-N 1 3 336.479 4.197 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422824156 1037841572 /nfs/dbraw/zinc/84/15/72/1037841572.db2.gz NEHBIGDDJWABGV-HZPDHXFCSA-N 1 3 346.478 4.323 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422824157 1037842296 /nfs/dbraw/zinc/84/22/96/1037842296.db2.gz NEHBIGDDJWABGV-JKSUJKDBSA-N 1 3 346.478 4.323 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422912839 1037866284 /nfs/dbraw/zinc/86/62/84/1037866284.db2.gz WZVLLQXQOAEWKB-CQSZACIVSA-N 1 3 343.902 4.275 20 0 EIADHO Cc1cc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422921445 1037868386 /nfs/dbraw/zinc/86/83/86/1037868386.db2.gz PUVDPGSUIITNAQ-NYSBEXSLSA-N 1 3 340.442 4.041 20 0 EIADHO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423007455 1037899444 /nfs/dbraw/zinc/89/94/44/1037899444.db2.gz XSKZFQIKNBYPPR-GOEBONIOSA-N 1 3 329.513 4.070 20 0 EIADHO Clc1cccc(Cl)c1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423081598 1037945024 /nfs/dbraw/zinc/94/50/24/1037945024.db2.gz DEMDZEBJXJKZDW-PBWFPOADSA-N 1 3 339.310 4.288 20 0 EIADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000423131806 1037961812 /nfs/dbraw/zinc/96/18/12/1037961812.db2.gz OLHPKNCVUJKKBK-MRXNPFEDSA-N 1 3 325.500 4.094 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423127849 1037973889 /nfs/dbraw/zinc/97/38/89/1037973889.db2.gz PSHKXABLJGFXBU-XJUOHMSHSA-N 1 3 348.490 4.218 20 0 EIADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423107709 1037982603 /nfs/dbraw/zinc/98/26/03/1037982603.db2.gz QBBBNQWTQFSEFG-QYZOEREBSA-N 1 3 336.907 4.057 20 0 EIADHO C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919233 1037997341 /nfs/dbraw/zinc/99/73/41/1037997341.db2.gz FUWJOMXSGYWPGO-DZJNRPSUSA-N 1 3 344.490 4.170 20 0 EIADHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919233 1037997378 /nfs/dbraw/zinc/99/73/78/1037997378.db2.gz FUWJOMXSGYWPGO-DZJNRPSUSA-N 1 3 344.490 4.170 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423147601 1038000097 /nfs/dbraw/zinc/00/00/97/1038000097.db2.gz SHNAGIBRPMWFGG-DZKIICNBSA-N 1 3 329.875 4.099 20 0 EIADHO CC(C)CCn1cccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000606469123 1038091796 /nfs/dbraw/zinc/09/17/96/1038091796.db2.gz PJWBOABWVORGEN-UHFFFAOYSA-N 1 3 339.527 4.420 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000423293337 1038094906 /nfs/dbraw/zinc/09/49/06/1038094906.db2.gz QZURVEFUAMXDHG-BTYIYWSLSA-N 1 3 336.479 4.199 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000423291674 1038095756 /nfs/dbraw/zinc/09/57/56/1038095756.db2.gz JIVDCMMZFGBHIA-STQMWFEESA-N 1 3 333.273 4.320 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000423293339 1038095975 /nfs/dbraw/zinc/09/59/75/1038095975.db2.gz QZURVEFUAMXDHG-VFNWGFHPSA-N 1 3 336.479 4.199 20 0 EIADHO Cc1nc(-c2cc([C@H](C)N[C@H]3CCCC[C@H]3C[NH3+])cs2)cs1 ZINC000423273774 1038099889 /nfs/dbraw/zinc/09/98/89/1038099889.db2.gz JIVDAJPVLUZTRN-WHOFXGATSA-N 1 3 335.542 4.348 20 0 EIADHO Cc1nc(-c2cc([C@H](C)N[C@H]3CCCC[C@@H]3C[NH3+])cs2)cs1 ZINC000423273772 1038101895 /nfs/dbraw/zinc/10/18/95/1038101895.db2.gz JIVDAJPVLUZTRN-LNSITVRQSA-N 1 3 335.542 4.348 20 0 EIADHO CSc1cccc([C@@H](NCCCC[NH3+])c2cc(F)ccc2F)c1 ZINC000423319481 1038113309 /nfs/dbraw/zinc/11/33/09/1038113309.db2.gz FMAGGHNGGDAWTO-GOSISDBHSA-N 1 3 336.451 4.105 20 0 EIADHO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423494877 1038265021 /nfs/dbraw/zinc/26/50/21/1038265021.db2.gz BEXHCSXIFJWMMN-KSFYIVLOSA-N 1 3 348.494 4.094 20 0 EIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423513983 1038271583 /nfs/dbraw/zinc/27/15/83/1038271583.db2.gz WCAYHBXRBMDFFY-DNVCBOLYSA-N 1 3 329.463 4.023 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000574747780 1038323721 /nfs/dbraw/zinc/32/37/21/1038323721.db2.gz GPNBFJYLIVQSCH-OAHLLOKOSA-N 1 3 343.902 4.318 20 0 EIADHO C[C@@H](C[NH2+][C@@H](Cc1ccncc1)c1cccs1)CN1CCCCC1 ZINC000424274427 1038782347 /nfs/dbraw/zinc/78/23/47/1038782347.db2.gz YWRZGXKYYUYJQQ-HKUYNNGSSA-N 1 3 343.540 4.139 20 0 EIADHO C[NH+](C)C1CCC(NCc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001168312209 1038791499 /nfs/dbraw/zinc/79/14/99/1038791499.db2.gz LFQYVSQKZKDUGO-UHFFFAOYSA-N 1 3 349.931 4.426 20 0 EIADHO FC(F)(F)c1cccc([C@@H]([NH2+]CCCN2CCCC2)C2CC2)c1 ZINC000539162541 1038865279 /nfs/dbraw/zinc/86/52/79/1038865279.db2.gz BPAVSYPJIUOKND-KRWDZBQOSA-N 1 3 326.406 4.232 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000481039921 1038988428 /nfs/dbraw/zinc/98/84/28/1038988428.db2.gz QINATYYIUFKGPW-IMFGXOCKSA-N 1 3 348.506 4.182 20 0 EIADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000539394938 1039030867 /nfs/dbraw/zinc/03/08/67/1039030867.db2.gz AISZRCPHIFQRIW-NZSAHSFTSA-N 1 3 328.500 4.143 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552042739 1039060144 /nfs/dbraw/zinc/06/01/44/1039060144.db2.gz ZPCDSZWSWVOHKW-KZNAEPCWSA-N 1 3 340.433 4.219 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552042739 1039060161 /nfs/dbraw/zinc/06/01/61/1039060161.db2.gz ZPCDSZWSWVOHKW-KZNAEPCWSA-N 1 3 340.433 4.219 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000555381654 1039136420 /nfs/dbraw/zinc/13/64/20/1039136420.db2.gz ZXMHOFFRAQESJA-GOSISDBHSA-N 1 3 329.532 4.121 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000555381654 1039136435 /nfs/dbraw/zinc/13/64/35/1039136435.db2.gz ZXMHOFFRAQESJA-GOSISDBHSA-N 1 3 329.532 4.121 20 0 EIADHO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(C3)CCCN(C)C4)s2)cc1 ZINC000552110265 1039139355 /nfs/dbraw/zinc/13/93/55/1039139355.db2.gz FBTCLSMCVQAHJO-FQEVSTJZSA-N 1 3 341.524 4.036 20 0 EIADHO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(C3)CCCN(C)C4)s2)cc1 ZINC000552110265 1039139366 /nfs/dbraw/zinc/13/93/66/1039139366.db2.gz FBTCLSMCVQAHJO-FQEVSTJZSA-N 1 3 341.524 4.036 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000120580627 1039179651 /nfs/dbraw/zinc/17/96/51/1039179651.db2.gz SIBHEUWRDCFCLN-INIZCTEOSA-N 1 3 340.467 4.108 20 0 EIADHO COc1ccc([C@@H](C)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000481318205 1039273314 /nfs/dbraw/zinc/27/33/14/1039273314.db2.gz ZYXGZTQYHKSHQM-GOSISDBHSA-N 1 3 338.495 4.319 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2cccc(C)c2)[C@@H](C)C1 ZINC000552244528 1039311393 /nfs/dbraw/zinc/31/13/93/1039311393.db2.gz DEYJCPYKLAQTFD-TYPHKJRUSA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2cccc(C)c2)[C@@H](C)C1 ZINC000552244528 1039311421 /nfs/dbraw/zinc/31/14/21/1039311421.db2.gz DEYJCPYKLAQTFD-TYPHKJRUSA-N 1 3 332.532 4.173 20 0 EIADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1Cl ZINC000643534418 1039716060 /nfs/dbraw/zinc/71/60/60/1039716060.db2.gz UOVYNYDQMACZFR-JOYOIKCWSA-N 1 3 333.690 4.440 20 0 EIADHO c1ccc(C[C@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc2)cc1 ZINC001168351259 1039731415 /nfs/dbraw/zinc/73/14/15/1039731415.db2.gz OFIRWDHAYLVRHC-QHCPKHFHSA-N 1 3 334.507 4.434 20 0 EIADHO Cc1cc(C)c([C@@H](C)NCc2ccccc2OCC[NH+](C)C)cc1C ZINC000481727218 1039790917 /nfs/dbraw/zinc/79/09/17/1039790917.db2.gz PJVSVAVHCHLQSH-LJQANCHMSA-N 1 3 340.511 4.403 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000481734912 1039799675 /nfs/dbraw/zinc/79/96/75/1039799675.db2.gz XPIFMUXVOPGPFB-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000481734912 1039799700 /nfs/dbraw/zinc/79/97/00/1039799700.db2.gz XPIFMUXVOPGPFB-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000481734895 1039799879 /nfs/dbraw/zinc/79/98/79/1039799879.db2.gz XPIFMUXVOPGPFB-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000481734895 1039799897 /nfs/dbraw/zinc/79/98/97/1039799897.db2.gz XPIFMUXVOPGPFB-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO CCCCc1ccc([C@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000481929188 1039900637 /nfs/dbraw/zinc/90/06/37/1039900637.db2.gz CHUHKTVJCIGALX-SFHVURJKSA-N 1 3 332.532 4.181 20 0 EIADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000481956886 1039910991 /nfs/dbraw/zinc/91/09/91/1039910991.db2.gz DZPZXAXJNDIZSH-QZTJIDSGSA-N 1 3 326.484 4.256 20 0 EIADHO COc1ccccc1C1(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000482121017 1040035498 /nfs/dbraw/zinc/03/54/98/1040035498.db2.gz MMKWNCFTBQLQKU-UHFFFAOYSA-N 1 3 342.527 4.114 20 0 EIADHO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000482251117 1040112171 /nfs/dbraw/zinc/11/21/71/1040112171.db2.gz BJAFQIAWIHJSHC-OAQYLSRUSA-N 1 3 349.607 4.109 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000514812797 1040255878 /nfs/dbraw/zinc/25/58/78/1040255878.db2.gz UEQQHFQKQQGNJF-MJSCBBHESA-N 1 3 340.433 4.430 20 0 EIADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000514812797 1040255880 /nfs/dbraw/zinc/25/58/80/1040255880.db2.gz UEQQHFQKQQGNJF-MJSCBBHESA-N 1 3 340.433 4.430 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H](Cc3ccccc3)C3CC3)C2)cc1 ZINC000482452128 1040262793 /nfs/dbraw/zinc/26/27/93/1040262793.db2.gz ABHIMGHYFMWALQ-UPVQGACJSA-N 1 3 348.534 4.162 20 0 EIADHO CCC[NH+]1CCC(CN[C@H](C)c2ccccc2Br)CC1 ZINC000482509785 1040308425 /nfs/dbraw/zinc/30/84/25/1040308425.db2.gz KXXTWWWMTBPFPR-CQSZACIVSA-N 1 3 339.321 4.222 20 0 EIADHO CS[C@@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000425355394 1040326705 /nfs/dbraw/zinc/32/67/05/1040326705.db2.gz ONSDLGZCCGPXPX-QZTJIDSGSA-N 1 3 338.948 4.036 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479466319 1040391570 /nfs/dbraw/zinc/39/15/70/1040391570.db2.gz RNJJXZYXLKYOIR-CDMIOBSGSA-N 1 3 338.470 4.171 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466319 1040391592 /nfs/dbraw/zinc/39/15/92/1040391592.db2.gz RNJJXZYXLKYOIR-CDMIOBSGSA-N 1 3 338.470 4.171 20 0 EIADHO CN(Cc1cnc(-c2ccc(Cl)cc2)s1)CC1CC[NH+](C)CC1 ZINC000551804784 1040599016 /nfs/dbraw/zinc/59/90/16/1040599016.db2.gz HMEKZEYGEVNLGT-UHFFFAOYSA-N 1 3 349.931 4.237 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000668172371 1040605695 /nfs/dbraw/zinc/60/56/95/1040605695.db2.gz MCQRXBFJLKWDCD-RTBURBONSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000668172371 1040605703 /nfs/dbraw/zinc/60/57/03/1040605703.db2.gz MCQRXBFJLKWDCD-RTBURBONSA-N 1 3 341.524 4.035 20 0 EIADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(OC(F)F)c1 ZINC000483201212 1040761388 /nfs/dbraw/zinc/76/13/88/1040761388.db2.gz PKQSOPNNXDTTFM-CJNGLKHVSA-N 1 3 328.447 4.305 20 0 EIADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000483184616 1040763530 /nfs/dbraw/zinc/76/35/30/1040763530.db2.gz LVHFWBCEGMIIJL-UHFFFAOYSA-N 1 3 332.507 4.490 20 0 EIADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)c1cccc(F)c1 ZINC000483184616 1040763547 /nfs/dbraw/zinc/76/35/47/1040763547.db2.gz LVHFWBCEGMIIJL-UHFFFAOYSA-N 1 3 332.507 4.490 20 0 EIADHO CCC[C@H](N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000480034155 1040870026 /nfs/dbraw/zinc/87/00/26/1040870026.db2.gz JJSHPFSSAUJFHH-NRSPTQNISA-N 1 3 332.532 4.254 20 0 EIADHO CCC[C@H](N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000480034155 1040870031 /nfs/dbraw/zinc/87/00/31/1040870031.db2.gz JJSHPFSSAUJFHH-NRSPTQNISA-N 1 3 332.532 4.254 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725995 1040977066 /nfs/dbraw/zinc/97/70/66/1040977066.db2.gz IZQQMJQWVLASAP-KCQAQPDRSA-N 1 3 346.462 4.474 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725995 1040977083 /nfs/dbraw/zinc/97/70/83/1040977083.db2.gz IZQQMJQWVLASAP-KCQAQPDRSA-N 1 3 346.462 4.474 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000540172617 1041216239 /nfs/dbraw/zinc/21/62/39/1041216239.db2.gz PNJHRZVJFBXPCX-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000540172617 1041216253 /nfs/dbraw/zinc/21/62/53/1041216253.db2.gz PNJHRZVJFBXPCX-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538268485 1041227120 /nfs/dbraw/zinc/22/71/20/1041227120.db2.gz IPWGAYMBBALKIE-PKOBYXMFSA-N 1 3 330.516 4.389 20 0 EIADHO CSc1ccccc1[C@@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000194855141 1041232604 /nfs/dbraw/zinc/23/26/04/1041232604.db2.gz UAJKGUMQIHSXSM-MRXNPFEDSA-N 1 3 344.524 4.200 20 0 EIADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCCO2 ZINC000540189417 1041235272 /nfs/dbraw/zinc/23/52/72/1041235272.db2.gz CFYCMVYDIUZFBM-LJQANCHMSA-N 1 3 330.516 4.370 20 0 EIADHO COc1ccccc1[C@H]([NH2+]C1CCN(CC2CC2)CC1)C1CCCC1 ZINC000540262649 1041327684 /nfs/dbraw/zinc/32/76/84/1041327684.db2.gz DXQNLZNTRCMWPY-JOCHJYFZSA-N 1 3 342.527 4.391 20 0 EIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000516030780 1041358206 /nfs/dbraw/zinc/35/82/06/1041358206.db2.gz XGGKXXPQULQUQO-HNNXBMFYSA-N 1 3 348.922 4.143 20 0 EIADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000554722031 1041364870 /nfs/dbraw/zinc/36/48/70/1041364870.db2.gz DJVVFMKVCLMZRO-GVDBMIGSSA-N 1 3 340.433 4.075 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000195138235 1041486983 /nfs/dbraw/zinc/48/69/83/1041486983.db2.gz NYQSPSIALCMJEX-SJLPKXTDSA-N 1 3 342.458 4.007 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000426063895 1042247160 /nfs/dbraw/zinc/24/71/60/1042247160.db2.gz VTFZVTSWWVFMGN-YSGRDPCXSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+]1C ZINC000426063895 1042247167 /nfs/dbraw/zinc/24/71/67/1042247167.db2.gz VTFZVTSWWVFMGN-YSGRDPCXSA-N 1 3 343.902 4.091 20 0 EIADHO CC(C)N1CCC([N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000506343314 1042330255 /nfs/dbraw/zinc/33/02/55/1042330255.db2.gz RNTMXIIWYUGIAE-UHFFFAOYSA-N 1 3 332.385 4.149 20 0 EIADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000506343314 1042330260 /nfs/dbraw/zinc/33/02/60/1042330260.db2.gz RNTMXIIWYUGIAE-UHFFFAOYSA-N 1 3 332.385 4.149 20 0 EIADHO Brc1ccc([C@H]([NH2+]CCCN2CCCC2)C2CC2)s1 ZINC000439148344 1042520506 /nfs/dbraw/zinc/52/05/06/1042520506.db2.gz XMMHTOBXEOADRN-OAHLLOKOSA-N 1 3 343.334 4.037 20 0 EIADHO CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309707879 1042819296 /nfs/dbraw/zinc/81/92/96/1042819296.db2.gz IMPNKUCFLQEITC-SJLPKXTDSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707879 1042819300 /nfs/dbraw/zinc/81/93/00/1042819300.db2.gz IMPNKUCFLQEITC-SJLPKXTDSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707879 1042819301 /nfs/dbraw/zinc/81/93/01/1042819301.db2.gz IMPNKUCFLQEITC-SJLPKXTDSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309710698 1042819419 /nfs/dbraw/zinc/81/94/19/1042819419.db2.gz JESXOHUZMZRMCF-FUHWJXTLSA-N 1 3 328.525 4.483 20 0 EIADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309710698 1042819421 /nfs/dbraw/zinc/81/94/21/1042819421.db2.gz JESXOHUZMZRMCF-FUHWJXTLSA-N 1 3 328.525 4.483 20 0 EIADHO C[C@@H]([NH2+]CCSc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310170868 1042830035 /nfs/dbraw/zinc/83/00/35/1042830035.db2.gz UAUPBAFOHWMDDW-UYAOXDASSA-N 1 3 340.536 4.279 20 0 EIADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000310522231 1042839209 /nfs/dbraw/zinc/83/92/09/1042839209.db2.gz NVJWGIYVOVMALP-XLIONFOSSA-N 1 3 326.459 4.134 20 0 EIADHO COc1ccc([C@H](C)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310998842 1042850085 /nfs/dbraw/zinc/85/00/85/1042850085.db2.gz UVEIKUHUHJNACO-UEXGIBASSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310998842 1042850088 /nfs/dbraw/zinc/85/00/88/1042850088.db2.gz UVEIKUHUHJNACO-UEXGIBASSA-N 1 3 338.495 4.256 20 0 EIADHO COC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493884679 1042971288 /nfs/dbraw/zinc/97/12/88/1042971288.db2.gz ZNNQGCITJNPICD-APWZRJJASA-N 1 3 338.923 4.272 20 0 EIADHO COC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493884679 1042971301 /nfs/dbraw/zinc/97/13/01/1042971301.db2.gz ZNNQGCITJNPICD-APWZRJJASA-N 1 3 338.923 4.272 20 0 EIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000183192887 1043039132 /nfs/dbraw/zinc/03/91/32/1043039132.db2.gz KIMIAYUJTQNZJD-BLIXFSHQSA-N 1 3 330.516 4.389 20 0 EIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000183192887 1043039140 /nfs/dbraw/zinc/03/91/40/1043039140.db2.gz KIMIAYUJTQNZJD-BLIXFSHQSA-N 1 3 330.516 4.389 20 0 EIADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000186320968 1043268534 /nfs/dbraw/zinc/26/85/34/1043268534.db2.gz HEWLSXITCBHJEJ-PGRDOPGGSA-N 1 3 343.559 4.065 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665281024 1043648752 /nfs/dbraw/zinc/64/87/52/1043648752.db2.gz RYJFFJKEHMBISE-MLGOLLRUSA-N 1 3 335.492 4.282 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(OCC3CC3)cc2)c1 ZINC000190955688 1043755453 /nfs/dbraw/zinc/75/54/53/1043755453.db2.gz ZDHVKRNQXHGNIY-UHFFFAOYSA-N 1 3 338.495 4.217 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(OCC3CC3)cc2)c1 ZINC000190955688 1043755476 /nfs/dbraw/zinc/75/54/76/1043755476.db2.gz ZDHVKRNQXHGNIY-UHFFFAOYSA-N 1 3 338.495 4.217 20 0 EIADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000521477540 1043784490 /nfs/dbraw/zinc/78/44/90/1043784490.db2.gz RLFSCTLNDBHCCU-FDFHNCONSA-N 1 3 344.543 4.084 20 0 EIADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000658168050 1043948829 /nfs/dbraw/zinc/94/88/29/1043948829.db2.gz RRSFPPIESVSVLD-LJQANCHMSA-N 1 3 337.511 4.261 20 0 EIADHO Clc1csc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000193083159 1043997526 /nfs/dbraw/zinc/99/75/26/1043997526.db2.gz SYDAGSFTPDZDSG-INIZCTEOSA-N 1 3 334.916 4.056 20 0 EIADHO Cc1cc(C)c(CNC2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000521818952 1044008898 /nfs/dbraw/zinc/00/88/98/1044008898.db2.gz ICQHGMGDLNDNQV-UHFFFAOYSA-N 1 3 336.523 4.409 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000195138737 1044026174 /nfs/dbraw/zinc/02/61/74/1044026174.db2.gz DQALDPSPLPZFMJ-QUCCMNQESA-N 1 3 345.490 4.408 20 0 EIADHO C[C@@H]1CC(n2nc(CN)c3ccccc32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015207 1044077786 /nfs/dbraw/zinc/07/77/86/1044077786.db2.gz PNWDVTXTZZQDQT-IAGOWNOFSA-N 1 3 348.494 4.109 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193963558 1044221210 /nfs/dbraw/zinc/22/12/10/1044221210.db2.gz OJIFBJPGHWSRAS-LBPRGKRZSA-N 1 3 345.350 4.282 20 0 EIADHO CCC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000191207796 1044277633 /nfs/dbraw/zinc/27/76/33/1044277633.db2.gz RHBQFHHIMJZFLF-IBGZPJMESA-N 1 3 332.513 4.320 20 0 EIADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001168470372 1044290257 /nfs/dbraw/zinc/29/02/57/1044290257.db2.gz XURVMTAKDJHZFH-QGZVFWFLSA-N 1 3 332.507 4.391 20 0 EIADHO C[C@H](Cc1cccc(F)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001168470372 1044290268 /nfs/dbraw/zinc/29/02/68/1044290268.db2.gz XURVMTAKDJHZFH-QGZVFWFLSA-N 1 3 332.507 4.391 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCC(F)(F)CC1 ZINC000474057680 1044320101 /nfs/dbraw/zinc/32/01/01/1044320101.db2.gz XITCRWGVVTYXNX-OAHLLOKOSA-N 1 3 328.491 4.445 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCC(F)(F)CC1 ZINC000474079417 1044357480 /nfs/dbraw/zinc/35/74/80/1044357480.db2.gz IXISZHDEECMEMO-ZOBUZTSGSA-N 1 3 328.491 4.443 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccccc2[nH]1 ZINC000675790078 1044500790 /nfs/dbraw/zinc/50/07/90/1044500790.db2.gz RCMADJNBHUDIDA-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc2ccccc2[nH]1 ZINC000675790078 1044500808 /nfs/dbraw/zinc/50/08/08/1044500808.db2.gz RCMADJNBHUDIDA-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1)N1CCCCC1 ZINC000494976020 1044553499 /nfs/dbraw/zinc/55/34/99/1044553499.db2.gz OGVBHQSADHXCLF-OPYAIIAOSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@H](c1nc2ccccc2s1)N(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923319178 1045060270 /nfs/dbraw/zinc/06/02/70/1045060270.db2.gz MJDPFPVTIYXRHX-WZYMTQMTSA-N 1 3 329.513 4.210 20 0 EIADHO FC(F)C1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000671762706 1045185653 /nfs/dbraw/zinc/18/56/53/1045185653.db2.gz GYPRWQFEIDKXDS-IPMKNSEASA-N 1 3 348.481 4.312 20 0 EIADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000542567521 1045330225 /nfs/dbraw/zinc/33/02/25/1045330225.db2.gz ZTSCPPKJVFINIK-ILXRZTDVSA-N 1 3 328.422 4.271 20 0 EIADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000542567524 1045330940 /nfs/dbraw/zinc/33/09/40/1045330940.db2.gz ZTSCPPKJVFINIK-QLFBSQMISA-N 1 3 328.422 4.271 20 0 EIADHO CSc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1F ZINC000123634168 1046189113 /nfs/dbraw/zinc/18/91/13/1046189113.db2.gz FDZCZPTYEVMIMY-AWEZNQCLSA-N 1 3 332.488 4.460 20 0 EIADHO CCOc1ccc([C@H](C)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000124004295 1046212436 /nfs/dbraw/zinc/21/24/36/1046212436.db2.gz NYPNRKVQMARNHS-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO CCOc1ccc([C@H](C)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000124004295 1046212446 /nfs/dbraw/zinc/21/24/46/1046212446.db2.gz NYPNRKVQMARNHS-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000508698032 1046328499 /nfs/dbraw/zinc/32/84/99/1046328499.db2.gz KSTQEXQRXZCKPL-NQIIRXRSSA-N 1 3 338.495 4.004 20 0 EIADHO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508723243 1046426047 /nfs/dbraw/zinc/42/60/47/1046426047.db2.gz WBJJWFWXQRAXMO-HKUYNNGSSA-N 1 3 338.470 4.315 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccccc2N(C)C)c1 ZINC000536702372 1046700210 /nfs/dbraw/zinc/70/02/10/1046700210.db2.gz CTQYKERDWADJDL-SFHVURJKSA-N 1 3 339.527 4.445 20 0 EIADHO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000459467897 1046703850 /nfs/dbraw/zinc/70/38/50/1046703850.db2.gz QQUSBCWKZZXLKD-ROFGYTOFSA-N 1 3 326.528 4.349 20 0 EIADHO Clc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)OCC2CC2)cc1 ZINC000459543285 1046766413 /nfs/dbraw/zinc/76/64/13/1046766413.db2.gz LJCQJKQQVLPRNI-HXUWFJFHSA-N 1 3 348.918 4.024 20 0 EIADHO COc1ccccc1CN(Cc1cccs1)CC1CC[NH+](C)CC1 ZINC000788473889 1047197371 /nfs/dbraw/zinc/19/73/71/1047197371.db2.gz LZSAVTVQIROWTE-UHFFFAOYSA-N 1 3 344.524 4.101 20 0 EIADHO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788530231 1047229270 /nfs/dbraw/zinc/22/92/70/1047229270.db2.gz WQMDQLIXXPNGJY-IAGOWNOFSA-N 1 3 339.483 4.012 20 0 EIADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788530231 1047229256 /nfs/dbraw/zinc/22/92/56/1047229256.db2.gz WQMDQLIXXPNGJY-IAGOWNOFSA-N 1 3 339.483 4.012 20 0 EIADHO c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000129754318 1047500960 /nfs/dbraw/zinc/50/09/60/1047500960.db2.gz ZVDGAYLDCXNRIA-FXAWDEMLSA-N 1 3 340.511 4.287 20 0 EIADHO CCn1c2ccccc2nc1[C@H]1CCCN1CCCCCCC[NH3+] ZINC000844221942 1048225904 /nfs/dbraw/zinc/22/59/04/1048225904.db2.gz OSHKXHSAYDNMMN-LJQANCHMSA-N 1 3 328.504 4.102 20 0 EIADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCC2 ZINC000817907247 1049056152 /nfs/dbraw/zinc/05/61/52/1049056152.db2.gz SVICRDOEFWQJBA-POCHDABASA-N 1 3 348.490 4.082 20 0 EIADHO C[NH+](C)CC[C@H](N[C@@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001171335784 1049357689 /nfs/dbraw/zinc/35/76/89/1049357689.db2.gz ATQNHPUSZQFFND-NQIIRXRSSA-N 1 3 344.449 4.105 20 0 EIADHO Cc1cc([C@@H](C)NCCOCC[NH2+][C@@H](C)c2cc(C)oc2C)c(C)o1 ZINC000348098008 1049417050 /nfs/dbraw/zinc/41/70/50/1049417050.db2.gz XXUGYFGNHLZWOH-IYBDPMFKSA-N 1 3 348.487 4.124 20 0 EIADHO Cc1cc([C@@H](C)[NH2+]CCOCCN[C@@H](C)c2cc(C)oc2C)c(C)o1 ZINC000348098008 1049417067 /nfs/dbraw/zinc/41/70/67/1049417067.db2.gz XXUGYFGNHLZWOH-IYBDPMFKSA-N 1 3 348.487 4.124 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1(C)C ZINC001171462901 1049715138 /nfs/dbraw/zinc/71/51/38/1049715138.db2.gz LHLQYDJLPNWRJW-OAHLLOKOSA-N 1 3 336.470 4.063 20 0 EIADHO COc1cccc([C@@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641330 1049779026 /nfs/dbraw/zinc/77/90/26/1049779026.db2.gz OVMQNEQJSJFDNV-QGZVFWFLSA-N 1 3 330.516 4.136 20 0 EIADHO COc1cccc([C@@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641330 1049779032 /nfs/dbraw/zinc/77/90/32/1049779032.db2.gz OVMQNEQJSJFDNV-QGZVFWFLSA-N 1 3 330.516 4.136 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000245605367 1049794005 /nfs/dbraw/zinc/79/40/05/1049794005.db2.gz QWFCCIPQIIGIAQ-JLZZUVOBSA-N 1 3 326.406 4.229 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000245605367 1049794024 /nfs/dbraw/zinc/79/40/24/1049794024.db2.gz QWFCCIPQIIGIAQ-JLZZUVOBSA-N 1 3 326.406 4.229 20 0 EIADHO CC1(C)C[C@H](NCCOC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977209 1049837636 /nfs/dbraw/zinc/83/76/36/1049837636.db2.gz YORZTVBXUWGHEV-HXUWFJFHSA-N 1 3 344.543 4.369 20 0 EIADHO CC1(C)C[C@H](NCCOC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977209 1049837638 /nfs/dbraw/zinc/83/76/38/1049837638.db2.gz YORZTVBXUWGHEV-HXUWFJFHSA-N 1 3 344.543 4.369 20 0 EIADHO CN(CCc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074723 1049845016 /nfs/dbraw/zinc/84/50/16/1049845016.db2.gz LHVISXUEMLNOIP-JKHIJQBDSA-N 1 3 349.522 4.142 20 0 EIADHO CN(CCc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074723 1049845018 /nfs/dbraw/zinc/84/50/18/1049845018.db2.gz LHVISXUEMLNOIP-JKHIJQBDSA-N 1 3 349.522 4.142 20 0 EIADHO CN(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172133274 1049855027 /nfs/dbraw/zinc/85/50/27/1049855027.db2.gz QWSRSCYICAQJPO-MUJYYYPQSA-N 1 3 342.405 4.032 20 0 EIADHO CN(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172133274 1049855031 /nfs/dbraw/zinc/85/50/31/1049855031.db2.gz QWSRSCYICAQJPO-MUJYYYPQSA-N 1 3 342.405 4.032 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(OC(F)(F)F)cc1 ZINC001172109704 1049857042 /nfs/dbraw/zinc/85/70/42/1049857042.db2.gz KCNMBNHREVBOBU-MIGQKNRLSA-N 1 3 342.405 4.251 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(OC(F)(F)F)cc1 ZINC001172109704 1049857043 /nfs/dbraw/zinc/85/70/43/1049857043.db2.gz KCNMBNHREVBOBU-MIGQKNRLSA-N 1 3 342.405 4.251 20 0 EIADHO CN(Cc1ccccc1C(F)(F)F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124219 1049859796 /nfs/dbraw/zinc/85/97/96/1049859796.db2.gz JNXPDKIXEMJQLE-ZSHCYNCHSA-N 1 3 326.406 4.153 20 0 EIADHO CN(Cc1ccccc1C(F)(F)F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124219 1049859799 /nfs/dbraw/zinc/85/97/99/1049859799.db2.gz JNXPDKIXEMJQLE-ZSHCYNCHSA-N 1 3 326.406 4.153 20 0 EIADHO c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)CS2 ZINC001172203694 1049863695 /nfs/dbraw/zinc/86/36/95/1049863695.db2.gz VDCHGTQUHDFXGG-RBUKOAKNSA-N 1 3 330.541 4.044 20 0 EIADHO c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)CS2 ZINC001172203694 1049863697 /nfs/dbraw/zinc/86/36/97/1049863697.db2.gz VDCHGTQUHDFXGG-RBUKOAKNSA-N 1 3 330.541 4.044 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172206329 1049864789 /nfs/dbraw/zinc/86/47/89/1049864789.db2.gz ONPOOHUOZSJKIU-FHWLQOOXSA-N 1 3 330.541 4.042 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172206329 1049864791 /nfs/dbraw/zinc/86/47/91/1049864791.db2.gz ONPOOHUOZSJKIU-FHWLQOOXSA-N 1 3 330.541 4.042 20 0 EIADHO COC1CC[NH+](C2CCN(C3CCC4(CCCC4)CC3)CC2)CC1 ZINC001172731275 1049969076 /nfs/dbraw/zinc/96/90/76/1049969076.db2.gz VXIPKCFPXGSJPT-UHFFFAOYSA-N 1 3 334.548 4.065 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172708951 1049971321 /nfs/dbraw/zinc/97/13/21/1049971321.db2.gz QFIOGWLBLUPARM-WOJBJXKFSA-N 1 3 328.887 4.090 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247000605 1050009363 /nfs/dbraw/zinc/00/93/63/1050009363.db2.gz KRQPFRGJNKNSJB-BZUAXINKSA-N 1 3 331.529 4.110 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247000605 1050009365 /nfs/dbraw/zinc/00/93/65/1050009365.db2.gz KRQPFRGJNKNSJB-BZUAXINKSA-N 1 3 331.529 4.110 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247000605 1050009372 /nfs/dbraw/zinc/00/93/72/1050009372.db2.gz KRQPFRGJNKNSJB-BZUAXINKSA-N 1 3 331.529 4.110 20 0 EIADHO c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001177181040 1050164170 /nfs/dbraw/zinc/16/41/70/1050164170.db2.gz UTAGWSPLQGVONQ-LJQANCHMSA-N 1 3 326.528 4.493 20 0 EIADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001172827628 1050166227 /nfs/dbraw/zinc/16/62/27/1050166227.db2.gz DDIMFTCZBGSXOM-OAQYLSRUSA-N 1 3 326.528 4.239 20 0 EIADHO C[NH+](C)CCCCCCCNCc1cc(F)ccc1Br ZINC001177537035 1050245285 /nfs/dbraw/zinc/24/52/85/1050245285.db2.gz IZVYWOVMKQYTFL-UHFFFAOYSA-N 1 3 345.300 4.190 20 0 EIADHO CC(C)[NH+]1CCC(N[C@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172875208 1050214603 /nfs/dbraw/zinc/21/46/03/1050214603.db2.gz MTZIDMJWWAWWTK-CQSZACIVSA-N 1 3 326.937 4.283 20 0 EIADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2ccccc2c1 ZINC000090937248 1050218440 /nfs/dbraw/zinc/21/84/40/1050218440.db2.gz BVFSHYPOJULGCT-KRWDZBQOSA-N 1 3 349.478 4.026 20 0 EIADHO C(C1CCCCC1)N1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173044678 1050270414 /nfs/dbraw/zinc/27/04/14/1050270414.db2.gz HTIHUCXTTRCFIH-UHFFFAOYSA-N 1 3 348.575 4.360 20 0 EIADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001206311257 1050335392 /nfs/dbraw/zinc/33/53/92/1050335392.db2.gz LHWMRYRKLHGIHB-OAHLLOKOSA-N 1 3 334.813 4.310 20 0 EIADHO CCCC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001173258045 1050381368 /nfs/dbraw/zinc/38/13/68/1050381368.db2.gz YVUQREHYBMPWRD-FQEVSTJZSA-N 1 3 331.548 4.488 20 0 EIADHO CCc1sc(CN2CCC[C@](C)(C[NH3+])CC2)cc1Br ZINC001206317876 1050395877 /nfs/dbraw/zinc/39/58/77/1050395877.db2.gz KETJQLPRCNZLEE-HNNXBMFYSA-N 1 3 345.350 4.024 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCN1CCCC1 ZINC001173551202 1050487225 /nfs/dbraw/zinc/48/72/25/1050487225.db2.gz ULDJBTCEXHYEBN-AWEZNQCLSA-N 1 3 329.315 4.390 20 0 EIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685383 1050538839 /nfs/dbraw/zinc/53/88/39/1050538839.db2.gz RUYBEULXGYOPCW-LNSLMDJYSA-N 1 3 326.528 4.276 20 0 EIADHO CCN(C)C1CC[NH+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173690968 1050543617 /nfs/dbraw/zinc/54/36/17/1050543617.db2.gz CYIGRFBBGSTFFF-UHFFFAOYSA-N 1 3 326.528 4.229 20 0 EIADHO CCCN1C[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@H]2C1 ZINC001173690882 1050544303 /nfs/dbraw/zinc/54/43/03/1050544303.db2.gz CENHUYCRFGJCRZ-YUTDQEIESA-N 1 3 338.539 4.087 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639126 1050648130 /nfs/dbraw/zinc/64/81/30/1050648130.db2.gz VBTAQFGTOSWVRH-CZUORRHYSA-N 1 3 335.542 4.034 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639126 1050648139 /nfs/dbraw/zinc/64/81/39/1050648139.db2.gz VBTAQFGTOSWVRH-CZUORRHYSA-N 1 3 335.542 4.034 20 0 EIADHO CN(C)CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000619757510 1050884799 /nfs/dbraw/zinc/88/47/99/1050884799.db2.gz HSBLWPRUXMDOAM-UHFFFAOYSA-N 1 3 344.474 4.082 20 0 EIADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180810294 1051087285 /nfs/dbraw/zinc/08/72/85/1051087285.db2.gz KZVSXISZRZMZFE-HOTGVXAUSA-N 1 3 342.449 4.491 20 0 EIADHO CC[NH+]1CCC(N[C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000775367604 1051137875 /nfs/dbraw/zinc/13/78/75/1051137875.db2.gz XICNTHGZGRGTOR-KRWDZBQOSA-N 1 3 340.483 4.453 20 0 EIADHO CC[NH+]1CCC(N[C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000775367606 1051138981 /nfs/dbraw/zinc/13/89/81/1051138981.db2.gz XICNTHGZGRGTOR-QGZVFWFLSA-N 1 3 340.483 4.453 20 0 EIADHO C[C@H](CC[NH+](C)C)N[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775380438 1051174352 /nfs/dbraw/zinc/17/43/52/1051174352.db2.gz IPQFGRPCLISZLH-WBMJQRKESA-N 1 3 328.472 4.309 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)ccc1OC ZINC000775402071 1051236348 /nfs/dbraw/zinc/23/63/48/1051236348.db2.gz YQIDAHJZTHNQGC-SQNIBIBYSA-N 1 3 348.531 4.003 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)ccc1OC ZINC000775402068 1051236505 /nfs/dbraw/zinc/23/65/05/1051236505.db2.gz YQIDAHJZTHNQGC-BZSNNMDCSA-N 1 3 348.531 4.003 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)C1 ZINC000163221426 1051250676 /nfs/dbraw/zinc/25/06/76/1051250676.db2.gz AXVUSPKFOGBSMF-KBPBESRZSA-N 1 3 328.472 4.036 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000154845949 1051342323 /nfs/dbraw/zinc/34/23/23/1051342323.db2.gz WYHFSPUZYREFKQ-MRXNPFEDSA-N 1 3 340.467 4.106 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000154845949 1051342331 /nfs/dbraw/zinc/34/23/31/1051342331.db2.gz WYHFSPUZYREFKQ-MRXNPFEDSA-N 1 3 340.467 4.106 20 0 EIADHO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000311188769 1051470042 /nfs/dbraw/zinc/47/00/42/1051470042.db2.gz DJWVWNJTRNVTPU-AZUAARDMSA-N 1 3 338.495 4.176 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521359 1051471730 /nfs/dbraw/zinc/47/17/30/1051471730.db2.gz PYFYREOFWSGLPC-WIYYLYMNSA-N 1 3 344.543 4.169 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521359 1051471741 /nfs/dbraw/zinc/47/17/41/1051471741.db2.gz PYFYREOFWSGLPC-WIYYLYMNSA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521359 1051471751 /nfs/dbraw/zinc/47/17/51/1051471751.db2.gz PYFYREOFWSGLPC-WIYYLYMNSA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@H]21 ZINC001191521359 1051471760 /nfs/dbraw/zinc/47/17/60/1051471760.db2.gz PYFYREOFWSGLPC-WIYYLYMNSA-N 1 3 344.543 4.169 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000774376579 1051570197 /nfs/dbraw/zinc/57/01/97/1051570197.db2.gz LBPALXFPRQREFY-GFCCVEGCSA-N 1 3 344.330 4.347 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774449659 1051596075 /nfs/dbraw/zinc/59/60/75/1051596075.db2.gz XFWZGDXYHSDDPG-LLVKDONJSA-N 1 3 344.330 4.489 20 0 EIADHO C[C@@H]([NH2+]Cc1nccc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775495803 1051601292 /nfs/dbraw/zinc/60/12/92/1051601292.db2.gz AFWHWTHUFHYYQM-WIYYLYMNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@H](C)N(C)C ZINC001183105087 1051790673 /nfs/dbraw/zinc/79/06/73/1051790673.db2.gz YHHIGUYBXBWQEK-NEPJUHHUSA-N 1 3 336.829 4.220 20 0 EIADHO CC(C)[C@H](C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)N(C)C ZINC001183366503 1051836650 /nfs/dbraw/zinc/83/66/50/1051836650.db2.gz RLMXWQSEOAZXFC-OAHLLOKOSA-N 1 3 330.497 4.158 20 0 EIADHO C[C@H]1CN(Cc2cccc(CC3CCC3)c2)CCN1c1cc[nH+]cc1 ZINC001183534606 1051864430 /nfs/dbraw/zinc/86/44/30/1051864430.db2.gz RMQNXRVBSNRTKZ-SFHVURJKSA-N 1 3 335.495 4.135 20 0 EIADHO CCOc1ccc(CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001184142936 1051953985 /nfs/dbraw/zinc/95/39/85/1051953985.db2.gz NTWDKKNXMHLCIX-RXVVDRJESA-N 1 3 344.543 4.261 20 0 EIADHO COCc1c(C)cc(C)c(CN2CCC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC001184374138 1051999475 /nfs/dbraw/zinc/99/94/75/1051999475.db2.gz JWUCQCBXUGEXRC-UHFFFAOYSA-N 1 3 332.532 4.111 20 0 EIADHO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)C[N@H+](C)CC ZINC001193974316 1052035663 /nfs/dbraw/zinc/03/56/63/1052035663.db2.gz BOIUGEMZNICWEB-OALUTQOASA-N 1 3 340.939 4.062 20 0 EIADHO CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)C[N@@H+](C)CC ZINC001193974316 1052035673 /nfs/dbraw/zinc/03/56/73/1052035673.db2.gz BOIUGEMZNICWEB-OALUTQOASA-N 1 3 340.939 4.062 20 0 EIADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC000165182963 1052055102 /nfs/dbraw/zinc/05/51/02/1052055102.db2.gz RIBAYDYPFLRETF-HNNXBMFYSA-N 1 3 348.437 4.146 20 0 EIADHO CN(C)CC(C)(C)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000671189813 1052202923 /nfs/dbraw/zinc/20/29/23/1052202923.db2.gz UFKXTXHMOOSJGU-UHFFFAOYSA-N 1 3 337.920 4.141 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000171131697 1052396204 /nfs/dbraw/zinc/39/62/04/1052396204.db2.gz IWZOVIXEPLRRPQ-GOSISDBHSA-N 1 3 330.472 4.214 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623358200 1052631002 /nfs/dbraw/zinc/63/10/02/1052631002.db2.gz SSWQEXIIXIDHIE-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623358200 1052631005 /nfs/dbraw/zinc/63/10/05/1052631005.db2.gz SSWQEXIIXIDHIE-QGZVFWFLSA-N 1 3 348.494 4.227 20 0 EIADHO COc1cccc([C@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000177261029 1052675602 /nfs/dbraw/zinc/67/56/02/1052675602.db2.gz WVWDXDOQYXKCGX-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO COc1cccc([C@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000177261029 1052675607 /nfs/dbraw/zinc/67/56/07/1052675607.db2.gz WVWDXDOQYXKCGX-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000177836394 1052692211 /nfs/dbraw/zinc/69/22/11/1052692211.db2.gz MDUOHUVGOKYRQE-JKSUJKDBSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)C[NH+]1CCC(N[C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000177836394 1052692213 /nfs/dbraw/zinc/69/22/13/1052692213.db2.gz MDUOHUVGOKYRQE-JKSUJKDBSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000177980009 1052695772 /nfs/dbraw/zinc/69/57/72/1052695772.db2.gz KGJXWVVDGOVGKK-INIZCTEOSA-N 1 3 340.467 4.106 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000177980009 1052695773 /nfs/dbraw/zinc/69/57/73/1052695773.db2.gz KGJXWVVDGOVGKK-INIZCTEOSA-N 1 3 340.467 4.106 20 0 EIADHO CC(C)[NH+]1CCC(NCCc2nc(C3CCCCC3)cs2)CC1 ZINC000180463131 1052801192 /nfs/dbraw/zinc/80/11/92/1052801192.db2.gz YIJWQEIBXDTISD-UHFFFAOYSA-N 1 3 335.561 4.196 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000624124051 1052868719 /nfs/dbraw/zinc/86/87/19/1052868719.db2.gz VZJICWSWENQDBP-CBBWQLFWSA-N 1 3 326.937 4.215 20 0 EIADHO CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381131099 1053054623 /nfs/dbraw/zinc/05/46/23/1053054623.db2.gz KHCIPDQMARXAJU-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381131099 1053054631 /nfs/dbraw/zinc/05/46/31/1053054631.db2.gz KHCIPDQMARXAJU-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H]([NH2+]Cc1cc(Cl)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382062851 1053134993 /nfs/dbraw/zinc/13/49/93/1053134993.db2.gz PYXCHVBJSWHZOZ-GOEBONIOSA-N 1 3 334.916 4.402 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000775628277 1053222385 /nfs/dbraw/zinc/22/23/85/1053222385.db2.gz QSTOMFVCZAVHFI-UYAOXDASSA-N 1 3 347.506 4.383 20 0 EIADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000383428569 1053339482 /nfs/dbraw/zinc/33/94/82/1053339482.db2.gz BIUMWIXIEPRFTR-YLJYHZDGSA-N 1 3 326.459 4.134 20 0 EIADHO CSc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000383677400 1053373141 /nfs/dbraw/zinc/37/31/41/1053373141.db2.gz NSCKIMJFFTYGOC-FXAWDEMLSA-N 1 3 340.536 4.409 20 0 EIADHO CC(C)[NH+]1CCC(N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000866606904 1053802824 /nfs/dbraw/zinc/80/28/24/1053802824.db2.gz KHEQIBLRIVPSEX-MOPGFXCFSA-N 1 3 336.907 4.023 20 0 EIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@H]2CCCCC2(F)F)CC1 ZINC001196934745 1053805134 /nfs/dbraw/zinc/80/51/34/1053805134.db2.gz CGTGAMPUFTWTLY-QZTJIDSGSA-N 1 3 328.491 4.398 20 0 EIADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@H]2CCCCC2(F)F)CC1 ZINC001196934745 1053805136 /nfs/dbraw/zinc/80/51/36/1053805136.db2.gz CGTGAMPUFTWTLY-QZTJIDSGSA-N 1 3 328.491 4.398 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC001199842993 1054477292 /nfs/dbraw/zinc/47/72/92/1054477292.db2.gz LSKXXRUTHVZTEX-IBGZPJMESA-N 1 3 339.483 4.004 20 0 EIADHO CCN1CCC[C@H](C[NH2+]Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001199844441 1054478830 /nfs/dbraw/zinc/47/88/30/1054478830.db2.gz ZGMOWSCXFPTGCV-GOSISDBHSA-N 1 3 342.458 4.440 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(SC(F)F)cc1 ZINC000858490895 1054498298 /nfs/dbraw/zinc/49/82/98/1054498298.db2.gz RUNKDZPYWUVZSI-KBPBESRZSA-N 1 3 328.472 4.384 20 0 EIADHO CSc1cccc([C@H](NC[C@H]2C[C@H]([NH3+])C2)c2cc(F)ccc2F)c1 ZINC000873255250 1054517349 /nfs/dbraw/zinc/51/73/49/1054517349.db2.gz FJTVXWJUDIXGCC-ODYMNIRHSA-N 1 3 348.462 4.103 20 0 EIADHO c1ccc(CCC[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672757 1054873526 /nfs/dbraw/zinc/87/35/26/1054873526.db2.gz XEWPHMPDEHYQPR-XZOQPEGZSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCC[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672757 1054873531 /nfs/dbraw/zinc/87/35/31/1054873531.db2.gz XEWPHMPDEHYQPR-XZOQPEGZSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672757 1054873532 /nfs/dbraw/zinc/87/35/32/1054873532.db2.gz XEWPHMPDEHYQPR-XZOQPEGZSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672757 1054873535 /nfs/dbraw/zinc/87/35/35/1054873535.db2.gz XEWPHMPDEHYQPR-XZOQPEGZSA-N 1 3 334.507 4.073 20 0 EIADHO CCCCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1Cl ZINC001202018627 1054982754 /nfs/dbraw/zinc/98/27/54/1054982754.db2.gz REHJRONLQIEYDF-MRXNPFEDSA-N 1 3 338.923 4.481 20 0 EIADHO FC(F)C1(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000671762705 1055052816 /nfs/dbraw/zinc/05/28/16/1055052816.db2.gz GYPRWQFEIDKXDS-GUDVDZBRSA-N 1 3 348.481 4.312 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202328551 1055142773 /nfs/dbraw/zinc/14/27/73/1055142773.db2.gz HNJRBGOQNWHGLN-VNQPRFMTSA-N 1 3 346.462 4.233 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202328551 1055142779 /nfs/dbraw/zinc/14/27/79/1055142779.db2.gz HNJRBGOQNWHGLN-VNQPRFMTSA-N 1 3 346.462 4.233 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCCCc1ccccc1 ZINC000863541585 1055223852 /nfs/dbraw/zinc/22/38/52/1055223852.db2.gz JQTCOTJCYMKMRL-QGZVFWFLSA-N 1 3 325.500 4.302 20 0 EIADHO Clc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC000863546964 1055228097 /nfs/dbraw/zinc/22/80/97/1055228097.db2.gz IHQSPCNWBZKBSZ-MISYRCLQSA-N 1 3 326.871 4.410 20 0 EIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cccc(F)c2)CC1 ZINC000060377454 1056428361 /nfs/dbraw/zinc/42/83/61/1056428361.db2.gz XGWATMGVTBZFNW-UHFFFAOYSA-N 1 3 326.459 4.170 20 0 EIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cccc(F)c2)CC1 ZINC000060377454 1056428388 /nfs/dbraw/zinc/42/83/88/1056428388.db2.gz XGWATMGVTBZFNW-UHFFFAOYSA-N 1 3 326.459 4.170 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101515 1060637062 /nfs/dbraw/zinc/63/70/62/1060637062.db2.gz TZEYQEIFWNTAQB-CUSZFKRNSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101515 1060637076 /nfs/dbraw/zinc/63/70/76/1060637076.db2.gz TZEYQEIFWNTAQB-CUSZFKRNSA-N 1 3 349.316 4.041 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)c(Cl)c1)C2 ZINC001169098956 1060638188 /nfs/dbraw/zinc/63/81/88/1060638188.db2.gz MTZWQXKZHVOKGP-XYYAHUGASA-N 1 3 332.797 4.074 20 0 EIADHO C[C@H](c1cccc(Br)c1)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162482 1060672406 /nfs/dbraw/zinc/67/24/06/1060672406.db2.gz TZKBJVHQKJIXTQ-VZEFYGNVSA-N 1 3 337.305 4.067 20 0 EIADHO C[C@H](c1cccc(Br)c1)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162482 1060672391 /nfs/dbraw/zinc/67/23/91/1060672391.db2.gz TZKBJVHQKJIXTQ-VZEFYGNVSA-N 1 3 337.305 4.067 20 0 EIADHO C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206011913 1060842146 /nfs/dbraw/zinc/84/21/46/1060842146.db2.gz HANOUXUPGYBENU-YPMHNXCESA-N 1 3 334.813 4.166 20 0 EIADHO C=Cn1cc(CNCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000194199867 1032164192 /nfs/dbraw/zinc/16/41/92/1032164192.db2.gz KAUOEKAYTPIXRI-UHFFFAOYSA-N 1 3 346.478 4.002 20 0 EIADHO Cc1nc(-c2ccc([C@H](C)NC3CC[NH+](C4CC4)CC3)cc2)cs1 ZINC000459381794 1032164751 /nfs/dbraw/zinc/16/47/51/1032164751.db2.gz DUMKMZUVWMSQGX-AWEZNQCLSA-N 1 3 341.524 4.396 20 0 EIADHO COc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)cc(C(F)(F)F)c1 ZINC000529520828 1032423220 /nfs/dbraw/zinc/42/32/20/1032423220.db2.gz NFHSTSXEQXQRCB-UHFFFAOYSA-N 1 3 344.421 4.019 20 0 EIADHO COc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc(C(F)(F)F)c1 ZINC000529520828 1032423225 /nfs/dbraw/zinc/42/32/25/1032423225.db2.gz NFHSTSXEQXQRCB-UHFFFAOYSA-N 1 3 344.421 4.019 20 0 EIADHO Cc1nc2c(s1)[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)CCC2 ZINC000154869800 1020078253 /nfs/dbraw/zinc/07/82/53/1020078253.db2.gz DYPQZCLJUYDUAH-GOSISDBHSA-N 1 3 343.540 4.459 20 0 EIADHO Cc1nc2c(s1)[C@H](NCc1ccccc1C[N@H+](C)C(C)C)CCC2 ZINC000154869800 1020078270 /nfs/dbraw/zinc/07/82/70/1020078270.db2.gz DYPQZCLJUYDUAH-GOSISDBHSA-N 1 3 343.540 4.459 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000121279781 1020795106 /nfs/dbraw/zinc/79/51/06/1020795106.db2.gz NNUAFLAQVZWUOA-HXUWFJFHSA-N 1 3 330.422 4.194 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000121279781 1020795118 /nfs/dbraw/zinc/79/51/18/1020795118.db2.gz NNUAFLAQVZWUOA-HXUWFJFHSA-N 1 3 330.422 4.194 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000340473700 1021086032 /nfs/dbraw/zinc/08/60/32/1021086032.db2.gz KVYPJGNOQOXHLW-QFIPXVFZSA-N 1 3 338.495 4.401 20 0 EIADHO Cc1ccncc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691508 1021100373 /nfs/dbraw/zinc/10/03/73/1021100373.db2.gz YNVFDSFOHIZERQ-WJMWBRGCSA-N 1 3 335.495 4.236 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc(OC(F)F)c2)c1 ZINC000057968937 1021280262 /nfs/dbraw/zinc/28/02/62/1021280262.db2.gz YCYIWPBBZPLQEH-UHFFFAOYSA-N 1 3 348.437 4.418 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc(OC(F)F)c2)c1 ZINC000057968937 1021280332 /nfs/dbraw/zinc/28/03/32/1021280332.db2.gz YCYIWPBBZPLQEH-UHFFFAOYSA-N 1 3 348.437 4.418 20 0 EIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CCO2 ZINC000177728481 1021618719 /nfs/dbraw/zinc/61/87/19/1021618719.db2.gz HMSJIOFRSSIJQH-QGZVFWFLSA-N 1 3 336.479 4.068 20 0 EIADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182582 1022055841 /nfs/dbraw/zinc/05/58/41/1022055841.db2.gz MWVJOXUYTMBSTE-ZWKOTPCHSA-N 1 3 339.483 4.256 20 0 EIADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182582 1022055855 /nfs/dbraw/zinc/05/58/55/1022055855.db2.gz MWVJOXUYTMBSTE-ZWKOTPCHSA-N 1 3 339.483 4.256 20 0 EIADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182580 1022056085 /nfs/dbraw/zinc/05/60/85/1022056085.db2.gz MWVJOXUYTMBSTE-QZTJIDSGSA-N 1 3 339.483 4.256 20 0 EIADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182580 1022056100 /nfs/dbraw/zinc/05/61/00/1022056100.db2.gz MWVJOXUYTMBSTE-QZTJIDSGSA-N 1 3 339.483 4.256 20 0 EIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccnc(Cl)c1 ZINC000162923774 1022785885 /nfs/dbraw/zinc/78/58/85/1022785885.db2.gz PGXKXIVGMGZWFK-HNNXBMFYSA-N 1 3 329.875 4.182 20 0 EIADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423366134 1022861205 /nfs/dbraw/zinc/86/12/05/1022861205.db2.gz BNTRYFRKQOARBS-UBHSHLNASA-N 1 3 332.435 4.262 20 0 EIADHO CCC[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccnc1 ZINC000363863288 1022866132 /nfs/dbraw/zinc/86/61/32/1022866132.db2.gz KJAFPAAPZLAYFW-JENIJYKNSA-N 1 3 329.513 4.267 20 0 EIADHO CCC[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cccnc1 ZINC000363863288 1022866136 /nfs/dbraw/zinc/86/61/36/1022866136.db2.gz KJAFPAAPZLAYFW-JENIJYKNSA-N 1 3 329.513 4.267 20 0 EIADHO C/C(=C\c1ccccc1OC(F)F)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000558486175 1023082637 /nfs/dbraw/zinc/08/26/37/1023082637.db2.gz RWHPSNZWPSDWOL-RVSUXWIQSA-N 1 3 338.442 4.154 20 0 EIADHO C[C@H]1C[C@H](NCc2cccc3c2CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000415046476 1023409546 /nfs/dbraw/zinc/40/95/46/1023409546.db2.gz ZTYLDQFIAXMZEM-GHTZIAJQSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@H]1C[C@H](NCc2cccc3c2CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000415046476 1023409551 /nfs/dbraw/zinc/40/95/51/1023409551.db2.gz ZTYLDQFIAXMZEM-GHTZIAJQSA-N 1 3 349.522 4.187 20 0 EIADHO [NH3+]CCC[C@@H](NCc1csc(Br)c1)c1ccccc1 ZINC000415058145 1023410848 /nfs/dbraw/zinc/41/08/48/1023410848.db2.gz SRQJJWOAZBNATI-CQSZACIVSA-N 1 3 339.302 4.080 20 0 EIADHO COc1cccc([C@H](NC2CCC([NH3+])CC2)c2ccccc2Cl)c1 ZINC000415086637 1023438262 /nfs/dbraw/zinc/43/82/62/1023438262.db2.gz SHHWFXKSFWLGJK-PMTKGXAQSA-N 1 3 344.886 4.298 20 0 EIADHO CCCOc1c(CN2CCC(CC[NH+](C)C)CC2)cccc1OCC ZINC000511522216 1023462888 /nfs/dbraw/zinc/46/28/88/1023462888.db2.gz CNEIGIGYRROXKG-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500106261 1023506012 /nfs/dbraw/zinc/50/60/12/1023506012.db2.gz ZLIHJQSZQXBZLJ-CVEARBPZSA-N 1 3 340.433 4.227 20 0 EIADHO c1csc(-c2ncc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)s2)c1 ZINC000656785314 1023528704 /nfs/dbraw/zinc/52/87/04/1023528704.db2.gz GSAHJKKJNPCRKX-HNNXBMFYSA-N 1 3 347.553 4.083 20 0 EIADHO Clc1ccc2cccnc2c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787312 1023537041 /nfs/dbraw/zinc/53/70/41/1023537041.db2.gz XCAPXSTWJGJUJL-KRWDZBQOSA-N 1 3 343.902 4.100 20 0 EIADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210330 1023545766 /nfs/dbraw/zinc/54/57/66/1023545766.db2.gz VPKBMEDGLKRJMN-OXQOHEQNSA-N 1 3 343.902 4.298 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000394556592 1023607027 /nfs/dbraw/zinc/60/70/27/1023607027.db2.gz IXSPKLHYOKXVBD-UHOSZYNNSA-N 1 3 336.470 4.312 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(F)ccc1Br ZINC000020049119 1023713282 /nfs/dbraw/zinc/71/32/82/1023713282.db2.gz XRXXHEBZOWTWRG-CYBMUJFWSA-N 1 3 345.300 4.188 20 0 EIADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510699557 1024252462 /nfs/dbraw/zinc/25/24/62/1024252462.db2.gz BZSMHBUQTFDQRG-RDJZCZTQSA-N 1 3 342.449 4.348 20 0 EIADHO CC(C)c1ccc(OC2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000535765558 1024922538 /nfs/dbraw/zinc/92/25/38/1024922538.db2.gz VYYNVVSOFLIVNZ-IBGZPJMESA-N 1 3 330.516 4.138 20 0 EIADHO C[C@H](NCc1ccc2occc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511985606 1025394010 /nfs/dbraw/zinc/39/40/10/1025394010.db2.gz AQDRCOCJWSSLRC-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](NCc1ccc2occc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511985606 1025394021 /nfs/dbraw/zinc/39/40/21/1025394021.db2.gz AQDRCOCJWSSLRC-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000511985606 1025394042 /nfs/dbraw/zinc/39/40/42/1025394042.db2.gz AQDRCOCJWSSLRC-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](NCc1ccc2occc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511985601 1025394630 /nfs/dbraw/zinc/39/46/30/1025394630.db2.gz AQDRCOCJWSSLRC-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](NCc1ccc2occc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511985601 1025394643 /nfs/dbraw/zinc/39/46/43/1025394643.db2.gz AQDRCOCJWSSLRC-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511985601 1025394659 /nfs/dbraw/zinc/39/46/59/1025394659.db2.gz AQDRCOCJWSSLRC-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925781080 1025528819 /nfs/dbraw/zinc/52/88/19/1025528819.db2.gz WLUMVVCSIFQRPF-SMDDNHRTSA-N 1 3 337.241 4.279 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001167836178 1025845717 /nfs/dbraw/zinc/84/57/17/1025845717.db2.gz WZDWTUVAPSXSAM-SQNIBIBYSA-N 1 3 349.950 4.113 20 0 EIADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC(C)C)CC1)CCCS2 ZINC000187744014 1025888888 /nfs/dbraw/zinc/88/88/88/1025888888.db2.gz MIBQCKKCVYCALX-IBGZPJMESA-N 1 3 348.556 4.332 20 0 EIADHO C[C@@H]1C[N@H+](CCCN[C@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420125 1025898914 /nfs/dbraw/zinc/89/89/14/1025898914.db2.gz IYVIVNZMTWAMQW-UTKZUKDTSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@@H]1C[N@@H+](CCCN[C@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420125 1025898917 /nfs/dbraw/zinc/89/89/17/1025898917.db2.gz IYVIVNZMTWAMQW-UTKZUKDTSA-N 1 3 348.506 4.148 20 0 EIADHO COc1cccc(CC(C)(C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)c1 ZINC001167978129 1026339429 /nfs/dbraw/zinc/33/94/29/1026339429.db2.gz KFBCFMHJRIIUBM-IHWFROFDSA-N 1 3 342.527 4.011 20 0 EIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550239235 1026392308 /nfs/dbraw/zinc/39/23/08/1026392308.db2.gz TUPAZDOIFKPBPH-YOEHRIQHSA-N 1 3 326.406 4.184 20 0 EIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550239235 1026392318 /nfs/dbraw/zinc/39/23/18/1026392318.db2.gz TUPAZDOIFKPBPH-YOEHRIQHSA-N 1 3 326.406 4.184 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc3ccccc3s2)[C@H](C)C1 ZINC000132698518 1026565113 /nfs/dbraw/zinc/56/51/13/1026565113.db2.gz ITARHSAFPBFCMO-VQIMIIECSA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc3ccccc3s2)[C@H](C)C1 ZINC000132698518 1026565115 /nfs/dbraw/zinc/56/51/15/1026565115.db2.gz ITARHSAFPBFCMO-VQIMIIECSA-N 1 3 346.540 4.128 20 0 EIADHO CCOc1ccc([C@@H](CC)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000152466920 1026587516 /nfs/dbraw/zinc/58/75/16/1026587516.db2.gz ULVCCFQPFKQDSA-VQIMIIECSA-N 1 3 346.515 4.009 20 0 EIADHO CCOc1ccc([C@@H](CC)NC[C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152466920 1026587523 /nfs/dbraw/zinc/58/75/23/1026587523.db2.gz ULVCCFQPFKQDSA-VQIMIIECSA-N 1 3 346.515 4.009 20 0 EIADHO C[C@@H](NCc1cc2ccncc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430591 1026644685 /nfs/dbraw/zinc/64/46/85/1026644685.db2.gz RSQZTABUPRTFDR-GDBMZVCRSA-N 1 3 329.513 4.039 20 0 EIADHO C[C@@H](NCc1cc2ccncc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430591 1026644690 /nfs/dbraw/zinc/64/46/90/1026644690.db2.gz RSQZTABUPRTFDR-GDBMZVCRSA-N 1 3 329.513 4.039 20 0 EIADHO CC(C)N1CCC([N@H+](C)CCOc2ccc3ccccc3c2)CC1 ZINC000507322440 1026745912 /nfs/dbraw/zinc/74/59/12/1026745912.db2.gz BMZQJQJONZJKHP-UHFFFAOYSA-N 1 3 326.484 4.023 20 0 EIADHO CC(C)N1CCC([N@@H+](C)CCOc2ccc3ccccc3c2)CC1 ZINC000507322440 1026745920 /nfs/dbraw/zinc/74/59/20/1026745920.db2.gz BMZQJQJONZJKHP-UHFFFAOYSA-N 1 3 326.484 4.023 20 0 EIADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000582560157 1026805272 /nfs/dbraw/zinc/80/52/72/1026805272.db2.gz CWFFKGAYMQIECV-IRLDBZIGSA-N 1 3 338.495 4.401 20 0 EIADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000582560157 1026805281 /nfs/dbraw/zinc/80/52/81/1026805281.db2.gz CWFFKGAYMQIECV-IRLDBZIGSA-N 1 3 338.495 4.401 20 0 EIADHO CCOc1ccc([C@H](CC)NC2CC[NH+](CC)CC2)cc1OCC ZINC000159316146 1026809695 /nfs/dbraw/zinc/80/96/95/1026809695.db2.gz VNHBORYJYUWWDN-SFHVURJKSA-N 1 3 334.504 4.009 20 0 EIADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCCS2 ZINC000187964653 1026861642 /nfs/dbraw/zinc/86/16/42/1026861642.db2.gz IIFXFDGMSHGQPO-VQIMIIECSA-N 1 3 348.556 4.332 20 0 EIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1OC ZINC000474476298 1027107815 /nfs/dbraw/zinc/10/78/15/1027107815.db2.gz WXGBPMYDZGKMPK-KZNAEPCWSA-N 1 3 348.531 4.050 20 0 EIADHO Cc1ccc2nccc(NCC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000302219166 1027266789 /nfs/dbraw/zinc/26/67/89/1027266789.db2.gz LKPVRQVWYSIEHW-UHFFFAOYSA-N 1 3 332.451 4.267 20 0 EIADHO c1ccc([C@H]2CC[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613550 1027290035 /nfs/dbraw/zinc/29/00/35/1027290035.db2.gz NJJPKECTHKHIBF-XZOQPEGZSA-N 1 3 349.522 4.220 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000474628557 1027335673 /nfs/dbraw/zinc/33/56/73/1027335673.db2.gz LBXKIXAXRKKFOX-APIJFGDWSA-N 1 3 326.937 4.215 20 0 EIADHO C[C@H](c1ccccn1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342874067 1027393434 /nfs/dbraw/zinc/39/34/34/1027393434.db2.gz KOAZBINNCWOIMV-LJQANCHMSA-N 1 3 335.495 4.131 20 0 EIADHO C[C@H](c1ccccn1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342874067 1027393461 /nfs/dbraw/zinc/39/34/61/1027393461.db2.gz KOAZBINNCWOIMV-LJQANCHMSA-N 1 3 335.495 4.131 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391664 1027514599 /nfs/dbraw/zinc/51/45/99/1027514599.db2.gz BIJGRLVQHCEYQJ-FPOVZHCZSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441391664 1027514611 /nfs/dbraw/zinc/51/46/11/1027514611.db2.gz BIJGRLVQHCEYQJ-FPOVZHCZSA-N 1 3 342.527 4.021 20 0 EIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474814768 1027536207 /nfs/dbraw/zinc/53/62/07/1027536207.db2.gz DPGHMMAIHRQAML-YYFQZIEXSA-N 1 3 326.937 4.356 20 0 EIADHO COc1ccc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000522546630 1028007620 /nfs/dbraw/zinc/00/76/20/1028007620.db2.gz XDWMPKPMAMJBFI-CXAGYDPISA-N 1 3 326.912 4.366 20 0 EIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000162548624 1028080526 /nfs/dbraw/zinc/08/05/26/1028080526.db2.gz VQJCJNAHOFDSBO-CYBMUJFWSA-N 1 3 338.904 4.193 20 0 EIADHO CCN(CC)CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001167663679 1028388491 /nfs/dbraw/zinc/38/84/91/1028388491.db2.gz IZRPEONMCDBPHO-NHCUHLMSSA-N 1 3 332.532 4.087 20 0 EIADHO CCN(CC)CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001167663679 1028388515 /nfs/dbraw/zinc/38/85/15/1028388515.db2.gz IZRPEONMCDBPHO-NHCUHLMSSA-N 1 3 332.532 4.087 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001167663679 1028388536 /nfs/dbraw/zinc/38/85/36/1028388536.db2.gz IZRPEONMCDBPHO-NHCUHLMSSA-N 1 3 332.532 4.087 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281354952 1028534517 /nfs/dbraw/zinc/53/45/17/1028534517.db2.gz VSDKJIDMZGUIMM-NRFANRHFSA-N 1 3 341.474 4.303 20 0 EIADHO COCCC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)cc1 ZINC000281929856 1028975440 /nfs/dbraw/zinc/97/54/40/1028975440.db2.gz KICPIFRHHMOXSH-FQEVSTJZSA-N 1 3 336.495 4.003 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000151133019 1029150453 /nfs/dbraw/zinc/15/04/53/1029150453.db2.gz IZPAJPSNOYOGFZ-PBHICJAKSA-N 1 3 326.431 4.061 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000151133019 1029150462 /nfs/dbraw/zinc/15/04/62/1029150462.db2.gz IZPAJPSNOYOGFZ-PBHICJAKSA-N 1 3 326.431 4.061 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000151133080 1029150499 /nfs/dbraw/zinc/15/04/99/1029150499.db2.gz IZPAJPSNOYOGFZ-YOEHRIQHSA-N 1 3 326.431 4.061 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000151133080 1029150508 /nfs/dbraw/zinc/15/05/08/1029150508.db2.gz IZPAJPSNOYOGFZ-YOEHRIQHSA-N 1 3 326.431 4.061 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](c1ccccc1OC)C1CCCC1 ZINC000650756969 1029197695 /nfs/dbraw/zinc/19/76/95/1029197695.db2.gz LFLVUYHBHNHSRR-QFIPXVFZSA-N 1 3 338.495 4.436 20 0 EIADHO CCOc1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1OCC ZINC000650757823 1029209344 /nfs/dbraw/zinc/20/93/44/1029209344.db2.gz BMMWHRSDGBMKSU-INIZCTEOSA-N 1 3 342.483 4.054 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000475119973 1029264824 /nfs/dbraw/zinc/26/48/24/1029264824.db2.gz DWDSLILYMBZVTD-UHFFFAOYSA-N 1 3 326.406 4.074 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000475119973 1029264840 /nfs/dbraw/zinc/26/48/40/1029264840.db2.gz DWDSLILYMBZVTD-UHFFFAOYSA-N 1 3 326.406 4.074 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000475127530 1029281177 /nfs/dbraw/zinc/28/11/77/1029281177.db2.gz IQAULNZAUWWYIJ-UHFFFAOYSA-N 1 3 328.431 4.146 20 0 EIADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000475127530 1029281190 /nfs/dbraw/zinc/28/11/90/1029281190.db2.gz IQAULNZAUWWYIJ-UHFFFAOYSA-N 1 3 328.431 4.146 20 0 EIADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000475127530 1029281207 /nfs/dbraw/zinc/28/12/07/1029281207.db2.gz IQAULNZAUWWYIJ-UHFFFAOYSA-N 1 3 328.431 4.146 20 0 EIADHO c1cc(-c2nc(CNCC3CC[NH+](CC4CC4)CC3)cs2)cs1 ZINC000657811884 1029459479 /nfs/dbraw/zinc/45/94/79/1029459479.db2.gz JEMGZPAOAPHEHY-UHFFFAOYSA-N 1 3 347.553 4.083 20 0 EIADHO Clc1scc(CNCC2CC[NH+](CC3CC3)CC2)c1Cl ZINC000657813700 1029462948 /nfs/dbraw/zinc/46/29/48/1029462948.db2.gz YBURVJVZXNUMKE-UHFFFAOYSA-N 1 3 333.328 4.267 20 0 EIADHO c1nc(CNCC2CC[NH+](CC3CC3)CC2)sc1-c1ccccc1 ZINC000657813249 1029467445 /nfs/dbraw/zinc/46/74/45/1029467445.db2.gz LTTMAHPFNGIABZ-UHFFFAOYSA-N 1 3 341.524 4.022 20 0 EIADHO c1[nH]c2ccccc2c1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000151306075 1029472740 /nfs/dbraw/zinc/47/27/40/1029472740.db2.gz XJIIHYHODCDHAX-UHFFFAOYSA-N 1 3 325.500 4.097 20 0 EIADHO c1ccc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000132718125 1029503058 /nfs/dbraw/zinc/50/30/58/1029503058.db2.gz ZOAJEAKGOKQQGY-UHFFFAOYSA-N 1 3 341.543 4.042 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)OCc1ccccc1 ZINC000475313369 1029525183 /nfs/dbraw/zinc/52/51/83/1029525183.db2.gz PDYWFZLWAWGFBN-SVFBPWRDSA-N 1 3 344.543 4.224 20 0 EIADHO C[C@@H]1C[C@@H](N2CCC(C(F)F)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065796 1029711883 /nfs/dbraw/zinc/71/18/83/1029711883.db2.gz YGDUHVALNFCFQE-HGKCTWBKSA-N 1 3 336.470 4.405 20 0 EIADHO C[C@@H]1C[C@@H](N2CCC(C(F)F)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065796 1029711892 /nfs/dbraw/zinc/71/18/92/1029711892.db2.gz YGDUHVALNFCFQE-HGKCTWBKSA-N 1 3 336.470 4.405 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000584380788 1029794163 /nfs/dbraw/zinc/79/41/63/1029794163.db2.gz SDKIMIKXQCNPAK-UNMCSNQZSA-N 1 3 344.543 4.084 20 0 EIADHO C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000089552504 1029854748 /nfs/dbraw/zinc/85/47/48/1029854748.db2.gz BKFSJGVMIRCNBW-QVKFZJNVSA-N 1 3 342.458 4.104 20 0 EIADHO C[N@@H+]1CC[C@@H](CNCc2ccc3occc3c2)[C@H]1c1cccs1 ZINC000375751890 1029864763 /nfs/dbraw/zinc/86/47/63/1029864763.db2.gz YBYZZMBGUXNQDJ-LPHOPBHVSA-N 1 3 326.465 4.277 20 0 EIADHO C[N@H+]1CC[C@@H](CNCc2ccc3occc3c2)[C@H]1c1cccs1 ZINC000375751890 1029864764 /nfs/dbraw/zinc/86/47/64/1029864764.db2.gz YBYZZMBGUXNQDJ-LPHOPBHVSA-N 1 3 326.465 4.277 20 0 EIADHO CC[NH+]1CCC(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091265330 1029882899 /nfs/dbraw/zinc/88/28/99/1029882899.db2.gz BPMHMXHLLDGRMO-QGZVFWFLSA-N 1 3 326.406 4.230 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cc2cnccc2o1 ZINC000657867194 1029951114 /nfs/dbraw/zinc/95/11/14/1029951114.db2.gz KJUJATXCGMCYMJ-MJGOQNOKSA-N 1 3 349.478 4.043 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(F)c(F)c2)CC1 ZINC000530329385 1030318757 /nfs/dbraw/zinc/31/87/57/1030318757.db2.gz XQBLYLKXRKAWKH-FOIQADDNSA-N 1 3 336.470 4.140 20 0 EIADHO CC(C)CN1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447816974 1030339045 /nfs/dbraw/zinc/33/90/45/1030339045.db2.gz LWRUGYKHWZFIFA-UHFFFAOYSA-N 1 3 326.887 4.122 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1)CC(C)C ZINC000685462626 1030341262 /nfs/dbraw/zinc/34/12/62/1030341262.db2.gz KIUHCPWYYBROTH-UHFFFAOYSA-N 1 3 348.579 4.218 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1)CC(C)C ZINC000685462626 1030341266 /nfs/dbraw/zinc/34/12/66/1030341266.db2.gz KIUHCPWYYBROTH-UHFFFAOYSA-N 1 3 348.579 4.218 20 0 EIADHO COc1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1C ZINC000447813057 1030355532 /nfs/dbraw/zinc/35/55/32/1030355532.db2.gz PTOCSLBXQFWEJH-GOSISDBHSA-N 1 3 344.524 4.067 20 0 EIADHO COc1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1C ZINC000447813057 1030355552 /nfs/dbraw/zinc/35/55/52/1030355552.db2.gz PTOCSLBXQFWEJH-GOSISDBHSA-N 1 3 344.524 4.067 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1coc2ccccc12 ZINC000398108254 1030696781 /nfs/dbraw/zinc/69/67/81/1030696781.db2.gz CDZZNAMKPLQJRD-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1coc2ccccc12 ZINC000398108254 1030696786 /nfs/dbraw/zinc/69/67/86/1030696786.db2.gz CDZZNAMKPLQJRD-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO Cc1cc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000527638281 1030790743 /nfs/dbraw/zinc/79/07/43/1030790743.db2.gz HPKSYNPBRWFNDO-ROUUACIJSA-N 1 3 337.511 4.158 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000658064688 1030804177 /nfs/dbraw/zinc/80/41/77/1030804177.db2.gz QDBVLIPEOCQMGL-LCKKVJLRSA-N 1 3 349.522 4.075 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccs1 ZINC000658164387 1030861474 /nfs/dbraw/zinc/86/14/74/1030861474.db2.gz CTXAMLYQIWBWJF-SFHVURJKSA-N 1 3 329.513 4.096 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165412 1030861945 /nfs/dbraw/zinc/86/19/45/1030861945.db2.gz JJXMOPFVKZXLCA-XMSQKQJNSA-N 1 3 349.522 4.440 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319486 1030981885 /nfs/dbraw/zinc/98/18/85/1030981885.db2.gz CHDFHURGPJGCHJ-WIYYLYMNSA-N 1 3 335.495 4.035 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cccnc1 ZINC000658320506 1030984840 /nfs/dbraw/zinc/98/48/40/1030984840.db2.gz YWLGNKGGFLMZFN-NQIIRXRSSA-N 1 3 335.495 4.035 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000123917552 1031493592 /nfs/dbraw/zinc/49/35/92/1031493592.db2.gz PADVWXUBIVDBNR-LJQANCHMSA-N 1 3 326.509 4.465 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000123917552 1031493607 /nfs/dbraw/zinc/49/36/07/1031493607.db2.gz PADVWXUBIVDBNR-LJQANCHMSA-N 1 3 326.509 4.465 20 0 EIADHO CC[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccsc1 ZINC000453098957 1031558328 /nfs/dbraw/zinc/55/83/28/1031558328.db2.gz VSSKPJJTBPCVAG-LJQANCHMSA-N 1 3 332.513 4.320 20 0 EIADHO Cc1[nH]c2ccccc2c1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000124971863 1031562236 /nfs/dbraw/zinc/56/22/36/1031562236.db2.gz LOCHTFBFMMFGRK-SFHVURJKSA-N 1 3 325.500 4.140 20 0 EIADHO CC[C@@H](CC(F)(F)F)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449243601 1031577843 /nfs/dbraw/zinc/57/78/43/1031577843.db2.gz LXNFBYZYFBMLNE-WBVHZDCISA-N 1 3 342.449 4.403 20 0 EIADHO Cc1cc([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000453098515 1031590990 /nfs/dbraw/zinc/59/09/90/1031590990.db2.gz VFIWEILQCQQMKI-MRXNPFEDSA-N 1 3 332.513 4.238 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000531958972 1031878917 /nfs/dbraw/zinc/87/89/17/1031878917.db2.gz HCMKGAVIKAHKPO-LSDHHAIUSA-N 1 3 328.422 4.476 20 0 EIADHO COc1cccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000449618127 1031880744 /nfs/dbraw/zinc/88/07/44/1031880744.db2.gz KDPYQAKARBJCQC-KESTWPANSA-N 1 3 342.527 4.328 20 0 EIADHO COc1cccc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000449618127 1031880748 /nfs/dbraw/zinc/88/07/48/1031880748.db2.gz KDPYQAKARBJCQC-KESTWPANSA-N 1 3 342.527 4.328 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000531980327 1031926188 /nfs/dbraw/zinc/92/61/88/1031926188.db2.gz ZZLICZRAQDKBBY-AZUAARDMSA-N 1 3 337.511 4.417 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000531980327 1031926200 /nfs/dbraw/zinc/92/62/00/1031926200.db2.gz ZZLICZRAQDKBBY-AZUAARDMSA-N 1 3 337.511 4.417 20 0 EIADHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(Cl)nc1 ZINC000179135362 1032018239 /nfs/dbraw/zinc/01/82/39/1032018239.db2.gz ZMHJBOORUBZAJO-JKSUJKDBSA-N 1 3 331.891 4.296 20 0 EIADHO CN(CCCOc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512557095 1033340897 /nfs/dbraw/zinc/34/08/97/1033340897.db2.gz LIJRRQAYUANQKE-YOFSQIOKSA-N 1 3 338.495 4.166 20 0 EIADHO CN(CCCOc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512557095 1033340914 /nfs/dbraw/zinc/34/09/14/1033340914.db2.gz LIJRRQAYUANQKE-YOFSQIOKSA-N 1 3 338.495 4.166 20 0 EIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4CCSCC4)[C@H]3C2)cc1 ZINC000512612335 1033493460 /nfs/dbraw/zinc/49/34/60/1033493460.db2.gz OMBCFARABUWQKZ-ACRUOGEOSA-N 1 3 344.568 4.020 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000512646589 1033612881 /nfs/dbraw/zinc/61/28/81/1033612881.db2.gz BMWAUGSCCQIEGO-IYWMVGAKSA-N 1 3 348.481 4.455 20 0 EIADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512653432 1033620803 /nfs/dbraw/zinc/62/08/03/1033620803.db2.gz FHIFODHMDTVILA-OKZBNKHCSA-N 1 3 340.433 4.219 20 0 EIADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCN1CCCCC1 ZINC000576388633 1034512926 /nfs/dbraw/zinc/51/29/26/1034512926.db2.gz ULZZBEOGHLFHQH-PEZBUJJGSA-N 1 3 338.442 4.157 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000333272947 1034575208 /nfs/dbraw/zinc/57/52/08/1034575208.db2.gz KUXZVRLSFPOMMK-PMPSAXMXSA-N 1 3 345.487 4.186 20 0 EIADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]C4CCSCC4)[C@@H]3C2)cc1 ZINC000513683636 1035100406 /nfs/dbraw/zinc/10/04/06/1035100406.db2.gz LUBPYKMVIWMFOB-CEWLAPEOSA-N 1 3 344.568 4.162 20 0 EIADHO CCN1CC[C@H](C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000501427111 1035443003 /nfs/dbraw/zinc/44/30/03/1035443003.db2.gz VSRGTVVKGNWPIA-MRXNPFEDSA-N 1 3 344.449 4.028 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000501772905 1035578845 /nfs/dbraw/zinc/57/88/45/1035578845.db2.gz XQMHTUATBLUKGN-UHFFFAOYSA-N 1 3 328.422 4.259 20 0 EIADHO C[NH+]1CCC(CCNC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000491007537 1035755334 /nfs/dbraw/zinc/75/53/34/1035755334.db2.gz OLBITNHSZZATRV-UHFFFAOYSA-N 1 3 344.449 4.376 20 0 EIADHO Clc1ccccc1OC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168392653 1036853443 /nfs/dbraw/zinc/85/34/43/1036853443.db2.gz RNXIDYPMOCWQSV-UHFFFAOYSA-N 1 3 348.918 4.058 20 0 EIADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641196 1036857338 /nfs/dbraw/zinc/85/73/38/1036857338.db2.gz XAORUCVHJSJQRE-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)C1 ZINC000589641196 1036857341 /nfs/dbraw/zinc/85/73/41/1036857341.db2.gz XAORUCVHJSJQRE-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641196 1036857342 /nfs/dbraw/zinc/85/73/42/1036857342.db2.gz XAORUCVHJSJQRE-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)C1 ZINC000589641196 1036857343 /nfs/dbraw/zinc/85/73/43/1036857343.db2.gz XAORUCVHJSJQRE-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000589642042 1036857598 /nfs/dbraw/zinc/85/75/98/1036857598.db2.gz ZEUMBBCITINOLJ-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000589642042 1036857607 /nfs/dbraw/zinc/85/76/07/1036857607.db2.gz ZEUMBBCITINOLJ-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000589642042 1036857618 /nfs/dbraw/zinc/85/76/18/1036857618.db2.gz ZEUMBBCITINOLJ-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000589642042 1036857619 /nfs/dbraw/zinc/85/76/19/1036857619.db2.gz ZEUMBBCITINOLJ-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO FC1(F)CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000503043880 1036884350 /nfs/dbraw/zinc/88/43/50/1036884350.db2.gz AUSUJBAESDVYOR-VAMGGRTRSA-N 1 3 348.481 4.312 20 0 EIADHO CN1CCC[C@@H]1CC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000503081989 1036894474 /nfs/dbraw/zinc/89/44/74/1036894474.db2.gz VMUDZVNAKVSFDF-MRXNPFEDSA-N 1 3 338.948 4.381 20 0 EIADHO CC(C)c1ccc(C(C)(C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC000669691252 1036913888 /nfs/dbraw/zinc/91/38/88/1036913888.db2.gz LFAFOSRHUZMPAI-UHFFFAOYSA-N 1 3 345.575 4.051 20 0 EIADHO CC[N@@H+]1CC[C@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000590611660 1037116609 /nfs/dbraw/zinc/11/66/09/1037116609.db2.gz QWDWCPSWLLBFCK-HXUWFJFHSA-N 1 3 347.506 4.121 20 0 EIADHO CC[N@H+]1CC[C@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000590611660 1037116620 /nfs/dbraw/zinc/11/66/20/1037116620.db2.gz QWDWCPSWLLBFCK-HXUWFJFHSA-N 1 3 347.506 4.121 20 0 EIADHO CCN1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000590611660 1037116628 /nfs/dbraw/zinc/11/66/28/1037116628.db2.gz QWDWCPSWLLBFCK-HXUWFJFHSA-N 1 3 347.506 4.121 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001168420170 1037720318 /nfs/dbraw/zinc/72/03/18/1037720318.db2.gz JTBWVIILSAUBRS-VGSWGCGISA-N 1 3 342.502 4.093 20 0 EIADHO [NH3+][C@@H]1C[C@H](NCCc2c[nH]c3c2cccc3Cl)c2ccccc21 ZINC000629555789 1037763823 /nfs/dbraw/zinc/76/38/23/1037763823.db2.gz DZNFFOGHNKMTOU-MSOLQXFVSA-N 1 3 325.843 4.098 20 0 EIADHO Cc1ccccc1[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422711913 1037805147 /nfs/dbraw/zinc/80/51/47/1037805147.db2.gz NJWNRHFFIJSOLT-MDNUFGMLSA-N 1 3 348.490 4.292 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422719292 1037812787 /nfs/dbraw/zinc/81/27/87/1037812787.db2.gz YJCUYEVEZSSYSU-ZDUSSCGKSA-N 1 3 331.891 4.131 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422715731 1037814001 /nfs/dbraw/zinc/81/40/01/1037814001.db2.gz MNRWCIOGHJOVNV-NSHDSACASA-N 1 3 338.282 4.049 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000422719627 1037816660 /nfs/dbraw/zinc/81/66/60/1037816660.db2.gz YZRMFOZUGQSKEB-JLMWRMLUSA-N 1 3 337.511 4.301 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000422751751 1037825222 /nfs/dbraw/zinc/82/52/22/1037825222.db2.gz ACJSUGRFBIKKMS-HNNXBMFYSA-N 1 3 343.540 4.463 20 0 EIADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422783682 1037832538 /nfs/dbraw/zinc/83/25/38/1037832538.db2.gz OQVBGFXHUUCMSH-LPHOPBHVSA-N 1 3 325.500 4.301 20 0 EIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422783683 1037833015 /nfs/dbraw/zinc/83/30/15/1037833015.db2.gz OQVBGFXHUUCMSH-QFBILLFUSA-N 1 3 325.500 4.301 20 0 EIADHO CCC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422765896 1037835030 /nfs/dbraw/zinc/83/50/30/1037835030.db2.gz PRRYTCUECHCNKI-JAXLGGSGSA-N 1 3 336.479 4.373 20 0 EIADHO Cc1cc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000422808551 1037838537 /nfs/dbraw/zinc/83/85/37/1037838537.db2.gz OJLLKCGUGLPRQZ-DCPHZVHLSA-N 1 3 342.508 4.271 20 0 EIADHO COc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422825936 1037841603 /nfs/dbraw/zinc/84/16/03/1037841603.db2.gz QFLMOVBVDAIJPA-OXJNMPFZSA-N 1 3 341.499 4.295 20 0 EIADHO CC[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1ccccc1Cl ZINC000422838308 1037843895 /nfs/dbraw/zinc/84/38/95/1037843895.db2.gz ODKPFABYASNVQU-CZUORRHYSA-N 1 3 347.890 4.010 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422845858 1037850174 /nfs/dbraw/zinc/85/01/74/1037850174.db2.gz OXBJBLBVLNDXTA-HNNXBMFYSA-N 1 3 325.500 4.040 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000422886715 1037854426 /nfs/dbraw/zinc/85/44/26/1037854426.db2.gz XFOGUDIKXRNXHB-CABCVRRESA-N 1 3 327.472 4.048 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000422888637 1037855577 /nfs/dbraw/zinc/85/55/77/1037855577.db2.gz DIJYGPWKMWAEBA-LSDHHAIUSA-N 1 3 327.472 4.048 20 0 EIADHO CC(C)c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422874717 1037860259 /nfs/dbraw/zinc/86/02/59/1037860259.db2.gz ASPAXCHLLICOHO-IFMALSPDSA-N 1 3 336.479 4.156 20 0 EIADHO Cc1cc(C)cc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422891483 1037869110 /nfs/dbraw/zinc/86/91/10/1037869110.db2.gz VKPCHDXDGVPKFG-XJABCFGWSA-N 1 3 336.479 4.210 20 0 EIADHO CC[C@H](CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414706126 1037886826 /nfs/dbraw/zinc/88/68/26/1037886826.db2.gz AABSGHUCWCBEAR-KNQAVFIVSA-N 1 3 337.511 4.220 20 0 EIADHO CC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422949949 1037887298 /nfs/dbraw/zinc/88/72/98/1037887298.db2.gz VBLGWQYNYIYOFX-FRQCXROJSA-N 1 3 328.481 4.045 20 0 EIADHO [NH3+][C@@H]1C[C@H](NCC2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423054526 1037942479 /nfs/dbraw/zinc/94/24/79/1037942479.db2.gz USCMEPFRRCXFHK-RTWAWAEBSA-N 1 3 336.479 4.108 20 0 EIADHO FC1(c2cccc(Cl)c2)CC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423095832 1037952446 /nfs/dbraw/zinc/95/24/46/1037952446.db2.gz NEAFSVDJRHBSFR-MCCVISLTSA-N 1 3 336.882 4.178 20 0 EIADHO FC1(c2cccc(Cl)c2)CC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423095833 1037954305 /nfs/dbraw/zinc/95/43/05/1037954305.db2.gz NEAFSVDJRHBSFR-MWXXRFSMSA-N 1 3 336.882 4.178 20 0 EIADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423092029 1037955132 /nfs/dbraw/zinc/95/51/32/1037955132.db2.gz AGAWQGSOEJUFCY-DZUCGIPZSA-N 1 3 326.406 4.201 20 0 EIADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423107707 1037981684 /nfs/dbraw/zinc/98/16/84/1037981684.db2.gz QBBBNQWTQFSEFG-GUDVDZBRSA-N 1 3 336.907 4.057 20 0 EIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919234 1037996582 /nfs/dbraw/zinc/99/65/82/1037996582.db2.gz FUWJOMXSGYWPGO-DZOHQFGASA-N 1 3 344.490 4.170 20 0 EIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919234 1037996622 /nfs/dbraw/zinc/99/66/22/1037996622.db2.gz FUWJOMXSGYWPGO-DZOHQFGASA-N 1 3 344.490 4.170 20 0 EIADHO Cc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000414721885 1038023010 /nfs/dbraw/zinc/02/30/10/1038023010.db2.gz JMUHRKYHQMZKDT-KRWDZBQOSA-N 1 3 332.538 4.262 20 0 EIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423283849 1038091180 /nfs/dbraw/zinc/09/11/80/1038091180.db2.gz WKSUOUXPACOURO-JCGIZDLHSA-N 1 3 343.540 4.210 20 0 EIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423283848 1038092698 /nfs/dbraw/zinc/09/26/98/1038092698.db2.gz WKSUOUXPACOURO-BMGDILEWSA-N 1 3 343.540 4.210 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000423293960 1038118187 /nfs/dbraw/zinc/11/81/87/1038118187.db2.gz SPKNJKCPDDHNKB-UGSOOPFHSA-N 1 3 330.859 4.363 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(Br)c2)cc1 ZINC000423294577 1038122845 /nfs/dbraw/zinc/12/28/45/1038122845.db2.gz UWYXFQVUWVNAKV-STQMWFEESA-N 1 3 333.273 4.320 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(Br)c2)cc1 ZINC000423294574 1038124263 /nfs/dbraw/zinc/12/42/63/1038124263.db2.gz UWYXFQVUWVNAKV-CHWSQXEVSA-N 1 3 333.273 4.320 20 0 EIADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423350123 1038161958 /nfs/dbraw/zinc/16/19/58/1038161958.db2.gz WXMZEWAKKQWDGH-RHSMWYFYSA-N 1 3 328.422 4.006 20 0 EIADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)CCN1 ZINC000423377837 1038190657 /nfs/dbraw/zinc/19/06/57/1038190657.db2.gz KNWHUARWQYUTEW-QQOVODFUSA-N 1 3 340.433 4.462 20 0 EIADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574958 1038220134 /nfs/dbraw/zinc/22/01/34/1038220134.db2.gz IWCUBFKIBVQUGL-APWZRJJASA-N 1 3 343.902 4.220 20 0 EIADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574958 1038220156 /nfs/dbraw/zinc/22/01/56/1038220156.db2.gz IWCUBFKIBVQUGL-APWZRJJASA-N 1 3 343.902 4.220 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423444787 1038226225 /nfs/dbraw/zinc/22/62/25/1038226225.db2.gz MCXAKZSBEREZHE-GCJKJVERSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)CCCN2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423444787 1038226244 /nfs/dbraw/zinc/22/62/44/1038226244.db2.gz MCXAKZSBEREZHE-GCJKJVERSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)CCCN2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423444787 1038226258 /nfs/dbraw/zinc/22/62/58/1038226258.db2.gz MCXAKZSBEREZHE-GCJKJVERSA-N 1 3 349.522 4.045 20 0 EIADHO Fc1ccc(C(N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423451684 1038230923 /nfs/dbraw/zinc/23/09/23/1038230923.db2.gz YLEDBZSCVRNZFI-VQTJNVASSA-N 1 3 342.433 4.032 20 0 EIADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423454640 1038251782 /nfs/dbraw/zinc/25/17/82/1038251782.db2.gz ZHRIHOYPAZFEAQ-COPLHBTASA-N 1 3 335.904 4.166 20 0 EIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423498591 1038254155 /nfs/dbraw/zinc/25/41/55/1038254155.db2.gz IHASLSNIJFDTAJ-AVRDEDQJSA-N 1 3 348.494 4.062 20 0 EIADHO COC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423499399 1038254394 /nfs/dbraw/zinc/25/43/94/1038254394.db2.gz AVHGZUQEQWDIAM-RBUKOAKNSA-N 1 3 332.875 4.097 20 0 EIADHO Cc1c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423521107 1038275927 /nfs/dbraw/zinc/27/59/27/1038275927.db2.gz SDWFVKKERHJLCC-KXBFYZLASA-N 1 3 328.504 4.077 20 0 EIADHO COc1ccc([C@H](NCCCC[NH+](C)C)c2ccccc2Cl)cc1 ZINC000490149334 1038343944 /nfs/dbraw/zinc/34/39/44/1038343944.db2.gz IYWPCLKPKDVTNQ-FQEVSTJZSA-N 1 3 346.902 4.369 20 0 EIADHO C[N@@H+]1CCC[C@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000594784440 1038401012 /nfs/dbraw/zinc/40/10/12/1038401012.db2.gz KPNCJRFUUQICNU-HXUWFJFHSA-N 1 3 347.506 4.121 20 0 EIADHO C[N@H+]1CCC[C@H](CNCc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000594784440 1038401032 /nfs/dbraw/zinc/40/10/32/1038401032.db2.gz KPNCJRFUUQICNU-HXUWFJFHSA-N 1 3 347.506 4.121 20 0 EIADHO C[C@@H](CC[NH2+][C@H](Cc1ccncc1)c1cccs1)N1CCCCC1 ZINC000424279992 1038791500 /nfs/dbraw/zinc/79/15/00/1038791500.db2.gz LDFMJCRJYHBWOY-PKOBYXMFSA-N 1 3 343.540 4.281 20 0 EIADHO FC(F)(F)c1ccc(C2CC[NH+](CCCN3CCCC3)CC2)cc1 ZINC000539099119 1038837563 /nfs/dbraw/zinc/83/75/63/1038837563.db2.gz WCXRCOWONQCTJS-UHFFFAOYSA-N 1 3 340.433 4.371 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)c3c2cccc3C)[C@H](C)C1 ZINC000504921119 1038844103 /nfs/dbraw/zinc/84/41/03/1038844103.db2.gz QXKPVXUODWIJDB-IZZBFERCSA-N 1 3 344.543 4.270 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)c3c2cccc3C)[C@H](C)C1 ZINC000504921119 1038844105 /nfs/dbraw/zinc/84/41/05/1038844105.db2.gz QXKPVXUODWIJDB-IZZBFERCSA-N 1 3 344.543 4.270 20 0 EIADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccccc1OCC[NH+](C)C ZINC000504911854 1038847714 /nfs/dbraw/zinc/84/77/14/1038847714.db2.gz MTSGYTIAUAYPQQ-PXNSSMCTSA-N 1 3 338.495 4.274 20 0 EIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000414810485 1039053380 /nfs/dbraw/zinc/05/33/80/1039053380.db2.gz OGDHSMLUOPCZDN-NSHDSACASA-N 1 3 326.337 4.154 20 0 EIADHO C[C@H]([NH3+])c1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000414810792 1039056108 /nfs/dbraw/zinc/05/61/08/1039056108.db2.gz OJEOSAVKSBPLGG-NSHDSACASA-N 1 3 326.337 4.154 20 0 EIADHO Cc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1Br ZINC000414812825 1039076536 /nfs/dbraw/zinc/07/65/36/1039076536.db2.gz RYQWLLNLGTYEGS-ZDUSSCGKSA-N 1 3 333.273 4.067 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000555381658 1039135034 /nfs/dbraw/zinc/13/50/34/1039135034.db2.gz ZXMHOFFRAQESJA-SFHVURJKSA-N 1 3 329.532 4.121 20 0 EIADHO CCc1ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000555381658 1039135061 /nfs/dbraw/zinc/13/50/61/1039135061.db2.gz ZXMHOFFRAQESJA-SFHVURJKSA-N 1 3 329.532 4.121 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099421 1039158620 /nfs/dbraw/zinc/15/86/20/1039158620.db2.gz IEMODLIUSFRSPC-LLGFUMIMSA-N 1 3 348.494 4.267 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099421 1039158629 /nfs/dbraw/zinc/15/86/29/1039158629.db2.gz IEMODLIUSFRSPC-LLGFUMIMSA-N 1 3 348.494 4.267 20 0 EIADHO F/C=C(\CCc1ccc(F)cc1)C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168360357 1039205490 /nfs/dbraw/zinc/20/54/90/1039205490.db2.gz OVDDSPWNRBQQSP-QGOAFFKASA-N 1 3 334.454 4.076 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000481329455 1039305340 /nfs/dbraw/zinc/30/53/40/1039305340.db2.gz ZMGAFCTVIQOHLE-JOCHJYFZSA-N 1 3 338.470 4.376 20 0 EIADHO CN1CC[C@@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001168345098 1039383026 /nfs/dbraw/zinc/38/30/26/1039383026.db2.gz NMJCSEWGQJMMLN-NNVNDSJASA-N 1 3 332.919 4.250 20 0 EIADHO CN1CC[C@@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001168345098 1039383039 /nfs/dbraw/zinc/38/30/39/1039383039.db2.gz NMJCSEWGQJMMLN-NNVNDSJASA-N 1 3 332.919 4.250 20 0 EIADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000481451049 1039455549 /nfs/dbraw/zinc/45/55/49/1039455549.db2.gz RGIFKJHAOQOJOV-QGZVFWFLSA-N 1 3 335.495 4.416 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@@H+]1C ZINC000481740609 1039803053 /nfs/dbraw/zinc/80/30/53/1039803053.db2.gz MUTHHPPYNRGWLB-LPTQZCDUSA-N 1 3 344.449 4.321 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@H+]1C ZINC000481740609 1039803055 /nfs/dbraw/zinc/80/30/55/1039803055.db2.gz MUTHHPPYNRGWLB-LPTQZCDUSA-N 1 3 344.449 4.321 20 0 EIADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(Cl)cc1 ZINC000481928418 1039899790 /nfs/dbraw/zinc/89/97/90/1039899790.db2.gz AAAJFDGGHOBZMI-IBGZPJMESA-N 1 3 338.923 4.272 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481925961 1039900072 /nfs/dbraw/zinc/90/00/72/1039900072.db2.gz NPJTUSBBKCEGNF-JKSUJKDBSA-N 1 3 342.449 4.346 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccccc1OCc1ccccc1 ZINC000481956888 1039912698 /nfs/dbraw/zinc/91/26/98/1039912698.db2.gz DZPZXAXJNDIZSH-ZWKOTPCHSA-N 1 3 326.484 4.256 20 0 EIADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000481962675 1039927139 /nfs/dbraw/zinc/92/71/39/1039927139.db2.gz PXLDXRCXIUKOJG-KGLIPLIRSA-N 1 3 336.426 4.432 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000482336225 1040183996 /nfs/dbraw/zinc/18/39/96/1040183996.db2.gz RVECHZWGPGIUIM-LSDHHAIUSA-N 1 3 328.422 4.476 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc(F)c1 ZINC000482442765 1040250862 /nfs/dbraw/zinc/25/08/62/1040250862.db2.gz XCIACAPNNAVCIN-MJGOQNOKSA-N 1 3 326.459 4.041 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443015 1040252140 /nfs/dbraw/zinc/25/21/40/1040252140.db2.gz FCYNTBQBECHXDS-RTBURBONSA-N 1 3 328.525 4.353 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443015 1040252163 /nfs/dbraw/zinc/25/21/63/1040252163.db2.gz FCYNTBQBECHXDS-RTBURBONSA-N 1 3 328.525 4.353 20 0 EIADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482456273 1040253681 /nfs/dbraw/zinc/25/36/81/1040253681.db2.gz ZGWQUNFJGWFIJH-RFWXGWTQSA-N 1 3 334.507 4.074 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](Cc3ccccc3)C3CC3)C2)cc1 ZINC000482452122 1040262863 /nfs/dbraw/zinc/26/28/63/1040262863.db2.gz ABHIMGHYFMWALQ-ISKFKSNPSA-N 1 3 348.534 4.162 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000514820437 1040272467 /nfs/dbraw/zinc/27/24/67/1040272467.db2.gz MMJJLVIZNWDSHU-XLIONFOSSA-N 1 3 343.559 4.300 20 0 EIADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccccc2Br)CC1 ZINC000482509781 1040309011 /nfs/dbraw/zinc/30/90/11/1040309011.db2.gz KXXTWWWMTBPFPR-AWEZNQCLSA-N 1 3 339.321 4.222 20 0 EIADHO CS[C@@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000425355396 1040324605 /nfs/dbraw/zinc/32/46/05/1040324605.db2.gz ONSDLGZCCGPXPX-ZWKOTPCHSA-N 1 3 338.948 4.036 20 0 EIADHO CS[C@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000425355390 1040326002 /nfs/dbraw/zinc/32/60/02/1040326002.db2.gz ONSDLGZCCGPXPX-MSOLQXFVSA-N 1 3 338.948 4.036 20 0 EIADHO Cc1ccc(F)cc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000491247727 1040361449 /nfs/dbraw/zinc/36/14/49/1040361449.db2.gz FPQRWNKUGZAWDG-LJQANCHMSA-N 1 3 326.459 4.088 20 0 EIADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000491247727 1040361461 /nfs/dbraw/zinc/36/14/61/1040361461.db2.gz FPQRWNKUGZAWDG-LJQANCHMSA-N 1 3 326.459 4.088 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)cc2)[C@H](C)C1 ZINC000479876914 1040739960 /nfs/dbraw/zinc/73/99/60/1040739960.db2.gz VJCIZYFQVPBEGG-LQWHRVPQSA-N 1 3 332.532 4.037 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)cc2)[C@H](C)C1 ZINC000479876914 1040739975 /nfs/dbraw/zinc/73/99/75/1040739975.db2.gz VJCIZYFQVPBEGG-LQWHRVPQSA-N 1 3 332.532 4.037 20 0 EIADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccccc1OC(F)F ZINC000483188978 1040764103 /nfs/dbraw/zinc/76/41/03/1040764103.db2.gz YHOXJVZEFABAIP-CZUORRHYSA-N 1 3 328.447 4.305 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483332354 1040817083 /nfs/dbraw/zinc/81/70/83/1040817083.db2.gz BHUMESLIPQCPAY-UHFFFAOYSA-N 1 3 346.421 4.285 20 0 EIADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000537883072 1040872685 /nfs/dbraw/zinc/87/26/85/1040872685.db2.gz QQVZAXXVLDWKCE-BBWFWOEESA-N 1 3 349.588 4.431 20 0 EIADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000537883072 1040872692 /nfs/dbraw/zinc/87/26/92/1040872692.db2.gz QQVZAXXVLDWKCE-BBWFWOEESA-N 1 3 349.588 4.431 20 0 EIADHO Cc1ccoc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000462750714 1040898402 /nfs/dbraw/zinc/89/84/02/1040898402.db2.gz QFTPXPPLMJERMT-UHFFFAOYSA-N 1 3 340.511 4.413 20 0 EIADHO c1ccc([C@@H](CC2CCOCC2)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168368107 1040910208 /nfs/dbraw/zinc/91/02/08/1040910208.db2.gz AHEPXWPXCMEAPD-JOCHJYFZSA-N 1 3 342.527 4.008 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729140 1040998316 /nfs/dbraw/zinc/99/83/16/1040998316.db2.gz OLWXYLCKDDCTBF-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729140 1040998356 /nfs/dbraw/zinc/99/83/56/1040998356.db2.gz OLWXYLCKDDCTBF-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436233419 1041000727 /nfs/dbraw/zinc/00/07/27/1041000727.db2.gz OMWMUUPYTGHOCI-UHFFFAOYSA-N 1 3 325.431 4.049 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436233419 1041000742 /nfs/dbraw/zinc/00/07/42/1041000742.db2.gz OMWMUUPYTGHOCI-UHFFFAOYSA-N 1 3 325.431 4.049 20 0 EIADHO CC(C)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000538116496 1041047642 /nfs/dbraw/zinc/04/76/42/1041047642.db2.gz LBVMBCFTTNZXOD-BWAGFHJFSA-N 1 3 337.511 4.421 20 0 EIADHO CC(C)[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000538116496 1041047655 /nfs/dbraw/zinc/04/76/55/1041047655.db2.gz LBVMBCFTTNZXOD-BWAGFHJFSA-N 1 3 337.511 4.421 20 0 EIADHO FC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000554374981 1041060675 /nfs/dbraw/zinc/06/06/75/1041060675.db2.gz DFGODXVOKUAYDI-XUVXKRRUSA-N 1 3 330.491 4.159 20 0 EIADHO FC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000554374980 1041062355 /nfs/dbraw/zinc/06/23/55/1041062355.db2.gz DFGODXVOKUAYDI-VAMGGRTRSA-N 1 3 330.491 4.159 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484470336 1041247011 /nfs/dbraw/zinc/24/70/11/1041247011.db2.gz RZTYJGSHOKXDLL-IMJJTQAJSA-N 1 3 344.421 4.151 20 0 EIADHO Cc1ccccc1OCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463063898 1041298162 /nfs/dbraw/zinc/29/81/62/1041298162.db2.gz FTFGNRQFWPGFJU-CTNGQTDRSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccccc1OCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463063898 1041298182 /nfs/dbraw/zinc/29/81/82/1041298182.db2.gz FTFGNRQFWPGFJU-CTNGQTDRSA-N 1 3 338.495 4.017 20 0 EIADHO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463071233 1041315408 /nfs/dbraw/zinc/31/54/08/1041315408.db2.gz WJLMUXGXMMSYDA-NQIIRXRSSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463071233 1041315413 /nfs/dbraw/zinc/31/54/13/1041315413.db2.gz WJLMUXGXMMSYDA-NQIIRXRSSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463071234 1041315632 /nfs/dbraw/zinc/31/56/32/1041315632.db2.gz WJLMUXGXMMSYDA-RXVVDRJESA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463071234 1041315645 /nfs/dbraw/zinc/31/56/45/1041315645.db2.gz WJLMUXGXMMSYDA-RXVVDRJESA-N 1 3 338.495 4.146 20 0 EIADHO Cc1ccc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463133537 1041369303 /nfs/dbraw/zinc/36/93/03/1041369303.db2.gz TZDPKHMRBFMBMT-PZJWPPBQSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000463133537 1041369305 /nfs/dbraw/zinc/36/93/05/1041369305.db2.gz TZDPKHMRBFMBMT-PZJWPPBQSA-N 1 3 338.495 4.017 20 0 EIADHO C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000538554214 1041417400 /nfs/dbraw/zinc/41/74/00/1041417400.db2.gz SACZNMBNKKMYJK-MRXNPFEDSA-N 1 3 342.458 4.106 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2(Cc3ccccc3)CC2)CC1 ZINC000480689173 1041472876 /nfs/dbraw/zinc/47/28/76/1041472876.db2.gz MBMGMIIJJJBMKF-NQIIRXRSSA-N 1 3 326.528 4.394 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000480733987 1041495586 /nfs/dbraw/zinc/49/55/86/1041495586.db2.gz BLHRAZKPJLFGAW-IKGGRYGDSA-N 1 3 338.948 4.427 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480733987 1041495596 /nfs/dbraw/zinc/49/55/96/1041495596.db2.gz BLHRAZKPJLFGAW-IKGGRYGDSA-N 1 3 338.948 4.427 20 0 EIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1nc2c(s1)CCCC2 ZINC000538985194 1041601422 /nfs/dbraw/zinc/60/14/22/1041601422.db2.gz VSPDVMAITAPJMW-INIZCTEOSA-N 1 3 335.561 4.329 20 0 EIADHO COc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962864 1041753498 /nfs/dbraw/zinc/75/34/98/1041753498.db2.gz XRCHRDRUYPJUDB-NQIIRXRSSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962864 1041753513 /nfs/dbraw/zinc/75/35/13/1041753513.db2.gz XRCHRDRUYPJUDB-NQIIRXRSSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)c1 ZINC000540962864 1041753524 /nfs/dbraw/zinc/75/35/24/1041753524.db2.gz XRCHRDRUYPJUDB-NQIIRXRSSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425945133 1042033609 /nfs/dbraw/zinc/03/36/09/1042033609.db2.gz JOLZMWAQPTXENL-STQMWFEESA-N 1 3 335.492 4.106 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000402796793 1042040715 /nfs/dbraw/zinc/04/07/15/1042040715.db2.gz VYJVFJGJJHIOAA-DZJNRPSUSA-N 1 3 340.433 4.075 20 0 EIADHO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@]2(CCCN(C[C@H](C)CO)C2)C1 ZINC001280201522 1042113518 /nfs/dbraw/zinc/11/35/18/1042113518.db2.gz SMDWAPFRCSZCJC-PWRODBHTSA-N 1 3 338.580 4.009 20 0 EIADHO CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(CCCN(C[C@H](C)CO)C2)C1 ZINC001280201522 1042113521 /nfs/dbraw/zinc/11/35/21/1042113521.db2.gz SMDWAPFRCSZCJC-PWRODBHTSA-N 1 3 338.580 4.009 20 0 EIADHO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414992713 1042571009 /nfs/dbraw/zinc/57/10/09/1042571009.db2.gz BZBWMARKLUDGJD-JLJPHGGASA-N 1 3 346.412 4.230 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC000467388694 1042716455 /nfs/dbraw/zinc/71/64/55/1042716455.db2.gz IFNWEZXRBMULOV-MISYRCLQSA-N 1 3 329.532 4.128 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842010 1042846635 /nfs/dbraw/zinc/84/66/35/1042846635.db2.gz NWLHYLIDLQUMBO-RXVVDRJESA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842010 1042846638 /nfs/dbraw/zinc/84/66/38/1042846638.db2.gz NWLHYLIDLQUMBO-RXVVDRJESA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc(C)c1O ZINC000310842010 1042846642 /nfs/dbraw/zinc/84/66/42/1042846642.db2.gz NWLHYLIDLQUMBO-RXVVDRJESA-N 1 3 338.495 4.009 20 0 EIADHO C[C@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311129921 1042854033 /nfs/dbraw/zinc/85/40/33/1042854033.db2.gz WJBKMGOAOKRSBJ-HKUYNNGSSA-N 1 3 334.463 4.433 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000178004974 1042856047 /nfs/dbraw/zinc/85/60/47/1042856047.db2.gz ABLFACIVNVTOFF-UHFFFAOYSA-N 1 3 333.907 4.216 20 0 EIADHO COc1ccc([C@@H](C)NC2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC000178254522 1042861875 /nfs/dbraw/zinc/86/18/75/1042861875.db2.gz WCYSNPOUDPZBDL-MRXNPFEDSA-N 1 3 338.495 4.373 20 0 EIADHO CC1(c2ccccc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001168002814 1042886399 /nfs/dbraw/zinc/88/63/99/1042886399.db2.gz ZFPRYNLLEXZSLE-CBQGHPETSA-N 1 3 338.539 4.446 20 0 EIADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCCC2 ZINC000766187433 1043157362 /nfs/dbraw/zinc/15/73/62/1043157362.db2.gz MMJBVNQTENXNJV-UXHICEINSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000185201659 1043164520 /nfs/dbraw/zinc/16/45/20/1043164520.db2.gz CDGMAICIAUYSJM-INIZCTEOSA-N 1 3 330.516 4.389 20 0 EIADHO Cc1c([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cnn1-c1ccccc1 ZINC000766045668 1043230378 /nfs/dbraw/zinc/23/03/78/1043230378.db2.gz SXUODVSZBQYACA-OXJNMPFZSA-N 1 3 342.531 4.198 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3cccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000674336108 1043603989 /nfs/dbraw/zinc/60/39/89/1043603989.db2.gz ZAMKKSBYZHQQOB-XMSQKQJNSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3cccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000674336108 1043603993 /nfs/dbraw/zinc/60/39/93/1043603993.db2.gz ZAMKKSBYZHQQOB-XMSQKQJNSA-N 1 3 345.490 4.378 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C[NH+](C)C)cc1 ZINC000190810823 1043739890 /nfs/dbraw/zinc/73/98/90/1043739890.db2.gz NLXSSHGMIHDVPZ-UHFFFAOYSA-N 1 3 336.401 4.365 20 0 EIADHO c1cc2cc(CCNC3CC[NH+](C4CCCCC4)CC3)ccc2[nH]1 ZINC000442810920 1043852799 /nfs/dbraw/zinc/85/27/99/1043852799.db2.gz NUYLLCYPKFIMCY-UHFFFAOYSA-N 1 3 325.500 4.097 20 0 EIADHO c1cc2cc(CC[NH2+]C3CCN(C4CCCCC4)CC3)ccc2[nH]1 ZINC000442810920 1043852802 /nfs/dbraw/zinc/85/28/02/1043852802.db2.gz NUYLLCYPKFIMCY-UHFFFAOYSA-N 1 3 325.500 4.097 20 0 EIADHO Clc1cccc2c1C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001168706715 1043880472 /nfs/dbraw/zinc/88/04/72/1043880472.db2.gz JSKAJFZETOXGLH-IBGZPJMESA-N 1 3 346.946 4.442 20 0 EIADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001168706715 1043880478 /nfs/dbraw/zinc/88/04/78/1043880478.db2.gz JSKAJFZETOXGLH-IBGZPJMESA-N 1 3 346.946 4.442 20 0 EIADHO c1ccc(SC2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166560275 1044050572 /nfs/dbraw/zinc/05/05/72/1044050572.db2.gz LSAGWGNZEOWXAD-ZWKOTPCHSA-N 1 3 330.541 4.308 20 0 EIADHO c1ccc(SC2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166560275 1044050587 /nfs/dbraw/zinc/05/05/87/1044050587.db2.gz LSAGWGNZEOWXAD-ZWKOTPCHSA-N 1 3 330.541 4.308 20 0 EIADHO C[C@@H]1C[C@@H](n2nc(CN)c3ccccc32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015209 1044077986 /nfs/dbraw/zinc/07/79/86/1044077986.db2.gz PNWDVTXTZZQDQT-IZZQQSIFSA-N 1 3 348.494 4.109 20 0 EIADHO C[C@@H]1C[C@@H](n2nc(CN)c3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015209 1044077999 /nfs/dbraw/zinc/07/79/99/1044077999.db2.gz PNWDVTXTZZQDQT-IZZQQSIFSA-N 1 3 348.494 4.109 20 0 EIADHO c1coc([C@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000326894898 1044322658 /nfs/dbraw/zinc/32/26/58/1044322658.db2.gz JEWCWBHSKWDJKL-OAQYLSRUSA-N 1 3 333.435 4.023 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)N1CCCCC1 ZINC000494976016 1044552981 /nfs/dbraw/zinc/55/29/81/1044552981.db2.gz OGVBHQSADHXCLF-LQWHRVPQSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@@H]1CC([NH2+]Cc2cncc(Cl)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168028704 1044748608 /nfs/dbraw/zinc/74/86/08/1044748608.db2.gz QGEUYLAMUQNHSJ-HZPDHXFCSA-N 1 3 343.902 4.266 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000509069623 1045054150 /nfs/dbraw/zinc/05/41/50/1045054150.db2.gz LDCIJLFNCAIJGV-GMAHTHKFSA-N 1 3 334.507 4.235 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000509069623 1045054158 /nfs/dbraw/zinc/05/41/58/1045054158.db2.gz LDCIJLFNCAIJGV-GMAHTHKFSA-N 1 3 334.507 4.235 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000509069621 1045055764 /nfs/dbraw/zinc/05/57/64/1045055764.db2.gz LDCIJLFNCAIJGV-GGAORHGYSA-N 1 3 334.507 4.235 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000509069621 1045055775 /nfs/dbraw/zinc/05/57/75/1045055775.db2.gz LDCIJLFNCAIJGV-GGAORHGYSA-N 1 3 334.507 4.235 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000347922386 1045142667 /nfs/dbraw/zinc/14/26/67/1045142667.db2.gz OEEUACKJDZNJQA-KSZLIROESA-N 1 3 340.515 4.094 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000347922386 1045142675 /nfs/dbraw/zinc/14/26/75/1045142675.db2.gz OEEUACKJDZNJQA-KSZLIROESA-N 1 3 340.515 4.094 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168741224 1045229605 /nfs/dbraw/zinc/22/96/05/1045229605.db2.gz XLFIOEUITOUGAD-BZSNNMDCSA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168741224 1045229620 /nfs/dbraw/zinc/22/96/20/1045229620.db2.gz XLFIOEUITOUGAD-BZSNNMDCSA-N 1 3 332.919 4.146 20 0 EIADHO C[C@@H](CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000237565532 1045390035 /nfs/dbraw/zinc/39/00/35/1045390035.db2.gz REHDFNYQZCUUTD-UNMCSNQZSA-N 1 3 336.523 4.334 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)NCc1ccsc1Br ZINC000388884148 1045477663 /nfs/dbraw/zinc/47/76/63/1045477663.db2.gz JTJIJVJEGNZKCV-LBPRGKRZSA-N 1 3 333.339 4.111 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000325990632 1045521715 /nfs/dbraw/zinc/52/17/15/1045521715.db2.gz CSTKKZPKOZHRTM-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO C[NH+](C)CC1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000768301759 1045783696 /nfs/dbraw/zinc/78/36/96/1045783696.db2.gz KVRXLTSFXGTESS-UHFFFAOYSA-N 1 3 332.435 4.072 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398025056 1045824274 /nfs/dbraw/zinc/82/42/74/1045824274.db2.gz CATARXGKWSWIJB-FGSXEWAUSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398025056 1045824276 /nfs/dbraw/zinc/82/42/76/1045824276.db2.gz CATARXGKWSWIJB-FGSXEWAUSA-N 1 3 338.495 4.256 20 0 EIADHO CCc1ccccc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001170205351 1045926261 /nfs/dbraw/zinc/92/62/61/1045926261.db2.gz KRXUEXMWGBFESP-QHCPKHFHSA-N 1 3 334.507 4.347 20 0 EIADHO CCc1ccccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001170205351 1045926266 /nfs/dbraw/zinc/92/62/66/1045926266.db2.gz KRXUEXMWGBFESP-QHCPKHFHSA-N 1 3 334.507 4.347 20 0 EIADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000162567850 1046351153 /nfs/dbraw/zinc/35/11/53/1046351153.db2.gz ZZWWCHLGXPIXKF-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO C[C@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508718460 1046374607 /nfs/dbraw/zinc/37/46/07/1046374607.db2.gz IZAOAWBQCPDPEG-DOTOQJQBSA-N 1 3 348.943 4.444 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000771926701 1046518061 /nfs/dbraw/zinc/51/80/61/1046518061.db2.gz HKARKQKIUNZADM-UHFFFAOYSA-N 1 3 336.401 4.399 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@H]1C ZINC000536659335 1046607822 /nfs/dbraw/zinc/60/78/22/1046607822.db2.gz WUPZOLPGGRKQMT-SJLPKXTDSA-N 1 3 326.484 4.153 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@H]1C ZINC000536659335 1046607833 /nfs/dbraw/zinc/60/78/33/1046607833.db2.gz WUPZOLPGGRKQMT-SJLPKXTDSA-N 1 3 326.484 4.153 20 0 EIADHO CO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379645994 1046741275 /nfs/dbraw/zinc/74/12/75/1046741275.db2.gz IIKBSQKVVDTSQN-VLCRHTCISA-N 1 3 338.495 4.017 20 0 EIADHO CO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379645994 1046741290 /nfs/dbraw/zinc/74/12/90/1046741290.db2.gz IIKBSQKVVDTSQN-VLCRHTCISA-N 1 3 338.495 4.017 20 0 EIADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)C1 ZINC000459713204 1046868785 /nfs/dbraw/zinc/86/87/85/1046868785.db2.gz NZJYVQDSHMUDJQ-USSHROBNSA-N 1 3 328.491 4.443 20 0 EIADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537160731 1046997323 /nfs/dbraw/zinc/99/73/23/1046997323.db2.gz GNFZKWUUZQXYLP-GGPKGHCWSA-N 1 3 342.527 4.391 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788538619 1047216482 /nfs/dbraw/zinc/21/64/82/1047216482.db2.gz HZVLETKVVVJAOJ-UXLLHSPISA-N 1 3 335.923 4.070 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788538619 1047216469 /nfs/dbraw/zinc/21/64/69/1047216469.db2.gz HZVLETKVVVJAOJ-UXLLHSPISA-N 1 3 335.923 4.070 20 0 EIADHO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788530259 1047228413 /nfs/dbraw/zinc/22/84/13/1047228413.db2.gz WQMDQLIXXPNGJY-SJORKVTESA-N 1 3 339.483 4.012 20 0 EIADHO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788530259 1047228422 /nfs/dbraw/zinc/22/84/22/1047228422.db2.gz WQMDQLIXXPNGJY-SJORKVTESA-N 1 3 339.483 4.012 20 0 EIADHO CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCS1 ZINC000897788145 1047483428 /nfs/dbraw/zinc/48/34/28/1047483428.db2.gz CCRSPCXHWVEFCA-MUGJNUQGSA-N 1 3 344.568 4.303 20 0 EIADHO CC(C)Oc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550606177 1047747178 /nfs/dbraw/zinc/74/71/78/1047747178.db2.gz FNEDSKRBVSTLST-IRLDBZIGSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)Oc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550606177 1047747187 /nfs/dbraw/zinc/74/71/87/1047747187.db2.gz FNEDSKRBVSTLST-IRLDBZIGSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000550629446 1047781197 /nfs/dbraw/zinc/78/11/97/1047781197.db2.gz QVJGVMBURCECDX-KSZLIROESA-N 1 3 330.516 4.104 20 0 EIADHO COc1ccc([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1OC ZINC000556871736 1048090786 /nfs/dbraw/zinc/09/07/86/1048090786.db2.gz WSCZTVCTFHVERA-CRAIPNDOSA-N 1 3 336.520 4.029 20 0 EIADHO Cc1c(CN2CCC3(CC2)CC[NH+](C)CC3)cccc1C(F)(F)F ZINC001143929729 1048297774 /nfs/dbraw/zinc/29/77/74/1048297774.db2.gz YTUFKRRMBFGJNC-UHFFFAOYSA-N 1 3 340.433 4.322 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000815575485 1048536571 /nfs/dbraw/zinc/53/65/71/1048536571.db2.gz SRZIXWDAOWFUDA-ICSRJNTNSA-N 1 3 340.486 4.349 20 0 EIADHO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OC)c(CN(CC)CC)c2)CCO1 ZINC000817586688 1049019404 /nfs/dbraw/zinc/01/94/04/1049019404.db2.gz QCCWXQRRBTVELF-LSTHTHJFSA-N 1 3 348.531 4.145 20 0 EIADHO Cc1ccc(C)c([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817894615 1049053188 /nfs/dbraw/zinc/05/31/88/1049053188.db2.gz NLLVCODARRYFIL-UCNVEGJOSA-N 1 3 336.479 4.210 20 0 EIADHO C[C@H](C[C@H](C)[NH3+])NCCCN1c2ccccc2Sc2ccccc21 ZINC000817913018 1049057702 /nfs/dbraw/zinc/05/77/02/1049057702.db2.gz TYPAKHZJVZHTOH-JKSUJKDBSA-N 1 3 341.524 4.395 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H]1NCCCN1c2ccccc2Sc2ccccc21 ZINC000817912691 1049059586 /nfs/dbraw/zinc/05/95/86/1049059586.db2.gz RDJXATOOSPLVSU-CVEARBPZSA-N 1 3 339.508 4.149 20 0 EIADHO COc1ccccc1[C@@H](NCc1ccc(CC[NH3+])cc1)C1CCCC1 ZINC000817947679 1049063944 /nfs/dbraw/zinc/06/39/44/1049063944.db2.gz FMRJIGRQWZMIFI-QFIPXVFZSA-N 1 3 338.495 4.218 20 0 EIADHO Cc1c([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1-c1ccccc1 ZINC000817962510 1049069688 /nfs/dbraw/zinc/06/96/88/1049069688.db2.gz JGSODUYDVFNHTA-CVEARBPZSA-N 1 3 334.467 4.051 20 0 EIADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1SC(F)F ZINC000817960102 1049070840 /nfs/dbraw/zinc/07/08/40/1049070840.db2.gz KNYMNEZWLGMZAZ-IACUBPJLSA-N 1 3 344.471 4.178 20 0 EIADHO Cc1c([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1-c1ccccc1 ZINC000817981779 1049077517 /nfs/dbraw/zinc/07/75/17/1049077517.db2.gz NPORQOQAJFWIML-JTSKRJEESA-N 1 3 348.494 4.312 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1CN1CCCCC1 ZINC000818359345 1049149567 /nfs/dbraw/zinc/14/95/67/1049149567.db2.gz JKPZWVDIZLATGO-BOLBYERCSA-N 1 3 328.500 4.130 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001171335783 1049357450 /nfs/dbraw/zinc/35/74/50/1049357450.db2.gz ATQNHPUSZQFFND-GHTZIAJQSA-N 1 3 344.449 4.105 20 0 EIADHO CCCCC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000773069300 1049565587 /nfs/dbraw/zinc/56/55/87/1049565587.db2.gz NXNBSPAQALVQKW-BDTNDASRSA-N 1 3 344.543 4.275 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001171454973 1049709963 /nfs/dbraw/zinc/70/99/63/1049709963.db2.gz XXYISNKAVNGLTM-WIYYLYMNSA-N 1 3 344.449 4.105 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495140 1049721900 /nfs/dbraw/zinc/72/19/00/1049721900.db2.gz XTNDEBFJWRHBDH-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495140 1049721912 /nfs/dbraw/zinc/72/19/12/1049721912.db2.gz XTNDEBFJWRHBDH-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495140 1049721919 /nfs/dbraw/zinc/72/19/19/1049721919.db2.gz XTNDEBFJWRHBDH-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495140 1049721926 /nfs/dbraw/zinc/72/19/26/1049721926.db2.gz XTNDEBFJWRHBDH-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO COc1ccc(CC2([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171627518 1049769029 /nfs/dbraw/zinc/76/90/29/1049769029.db2.gz UGGNRMDRJKWQNA-UHFFFAOYSA-N 1 3 330.516 4.011 20 0 EIADHO CN1C(C)(C)CC([NH2+]C2(c3cccc(F)c3)CCOCC2)CC1(C)C ZINC001171627541 1049769801 /nfs/dbraw/zinc/76/98/01/1049769801.db2.gz VOPAMXQSMOFKAY-UHFFFAOYSA-N 1 3 348.506 4.072 20 0 EIADHO Cc1ccc(CC[C@H](C)N2CCC([NH3+])(c3cccc(F)c3)CC2)cc1 ZINC001171666934 1049774740 /nfs/dbraw/zinc/77/47/40/1049774740.db2.gz SGJOMJAOQGETCY-SFHVURJKSA-N 1 3 340.486 4.405 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(COc3ccccc3)CC2)CC1(C)C ZINC001171637894 1049779871 /nfs/dbraw/zinc/77/98/71/1049779871.db2.gz RGGLZVWUAXKYAD-UHFFFAOYSA-N 1 3 344.543 4.429 20 0 EIADHO Fc1cccc2c1C[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001170997068 1049808139 /nfs/dbraw/zinc/80/81/39/1049808139.db2.gz QMHYUUJDASMPIQ-RTBURBONSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1C[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001170997068 1049808142 /nfs/dbraw/zinc/80/81/42/1049808142.db2.gz QMHYUUJDASMPIQ-RTBURBONSA-N 1 3 330.491 4.023 20 0 EIADHO Cc1ncsc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000813790533 1049816414 /nfs/dbraw/zinc/81/64/14/1049816414.db2.gz PXEVIANYKXLXIZ-YQQQUEKLSA-N 1 3 341.524 4.127 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(N)c1 ZINC001171976945 1049837798 /nfs/dbraw/zinc/83/77/98/1049837798.db2.gz VZUMOZFTTYPJBE-UWJYYQICSA-N 1 3 337.511 4.363 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cccc(N)c1 ZINC001171976945 1049837799 /nfs/dbraw/zinc/83/77/99/1049837799.db2.gz VZUMOZFTTYPJBE-UWJYYQICSA-N 1 3 337.511 4.363 20 0 EIADHO CCCC[NH+]1CCC(N(C)[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170717255 1049839196 /nfs/dbraw/zinc/83/91/96/1049839196.db2.gz URWWURVVBLBJFN-SFHVURJKSA-N 1 3 336.470 4.018 20 0 EIADHO c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245725367 1049839260 /nfs/dbraw/zinc/83/92/60/1049839260.db2.gz PIOQHRLTOHCOBX-WERVVEIQSA-N 1 3 336.479 4.442 20 0 EIADHO CN(CCc1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076445 1049843890 /nfs/dbraw/zinc/84/38/90/1049843890.db2.gz YQBUQILZRJSANY-NUNAXRQHSA-N 1 3 349.522 4.142 20 0 EIADHO CN(CCc1cccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076445 1049843892 /nfs/dbraw/zinc/84/38/92/1049843892.db2.gz YQBUQILZRJSANY-NUNAXRQHSA-N 1 3 349.522 4.142 20 0 EIADHO C[N@H+](Cc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069526 1049853778 /nfs/dbraw/zinc/85/37/78/1049853778.db2.gz QURDBUGSCQTPRB-ZBYYUNFXSA-N 1 3 335.495 4.099 20 0 EIADHO C[N@@H+](Cc1ccncc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172069526 1049853780 /nfs/dbraw/zinc/85/37/80/1049853780.db2.gz QURDBUGSCQTPRB-ZBYYUNFXSA-N 1 3 335.495 4.099 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001172103745 1049855479 /nfs/dbraw/zinc/85/54/79/1049855479.db2.gz XDUHJBGCTDZDSX-LPWJVIDDSA-N 1 3 343.334 4.177 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001172103745 1049855483 /nfs/dbraw/zinc/85/54/83/1049855483.db2.gz XDUHJBGCTDZDSX-LPWJVIDDSA-N 1 3 343.334 4.177 20 0 EIADHO CN(Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124294 1049859595 /nfs/dbraw/zinc/85/95/95/1049859595.db2.gz KKJWEGURDRXURG-FVQHAEBGSA-N 1 3 326.406 4.153 20 0 EIADHO CN(Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124294 1049859598 /nfs/dbraw/zinc/85/95/98/1049859598.db2.gz KKJWEGURDRXURG-FVQHAEBGSA-N 1 3 326.406 4.153 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172206332 1049864622 /nfs/dbraw/zinc/86/46/22/1049864622.db2.gz ONPOOHUOZSJKIU-OTWHNJEPSA-N 1 3 330.541 4.042 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172206332 1049864625 /nfs/dbraw/zinc/86/46/25/1049864625.db2.gz ONPOOHUOZSJKIU-OTWHNJEPSA-N 1 3 330.541 4.042 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001172206330 1049864690 /nfs/dbraw/zinc/86/46/90/1049864690.db2.gz ONPOOHUOZSJKIU-GBESFXJTSA-N 1 3 330.541 4.042 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001172206330 1049864693 /nfs/dbraw/zinc/86/46/93/1049864693.db2.gz ONPOOHUOZSJKIU-GBESFXJTSA-N 1 3 330.541 4.042 20 0 EIADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CS2 ZINC001172205714 1049864761 /nfs/dbraw/zinc/86/47/61/1049864761.db2.gz WXNBQBGCMKYDED-FQEVSTJZSA-N 1 3 344.568 4.338 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001172248618 1049872312 /nfs/dbraw/zinc/87/23/12/1049872312.db2.gz KVMXVQPBWSBRPT-NRFANRHFSA-N 1 3 348.506 4.148 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000246858965 1050003715 /nfs/dbraw/zinc/00/37/15/1050003715.db2.gz CWXYCSHDNGMBCU-HIFRSBDPSA-N 1 3 347.503 4.250 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000246858980 1050004195 /nfs/dbraw/zinc/00/41/95/1050004195.db2.gz CWXYCSHDNGMBCU-UKRRQHHQSA-N 1 3 347.503 4.250 20 0 EIADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCCS2 ZINC000249181281 1050094558 /nfs/dbraw/zinc/09/45/58/1050094558.db2.gz IIFXFDGMSHGQPO-APWZRJJASA-N 1 3 348.556 4.332 20 0 EIADHO Fc1ccc(/C=C\CNCCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC001177245025 1050172768 /nfs/dbraw/zinc/17/27/68/1050172768.db2.gz KROOOTLWXJDBBK-CLTKARDFSA-N 1 3 342.433 4.016 20 0 EIADHO Fc1ccc(/C=C\CNCCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC001177245025 1050172771 /nfs/dbraw/zinc/17/27/71/1050172771.db2.gz KROOOTLWXJDBBK-CLTKARDFSA-N 1 3 342.433 4.016 20 0 EIADHO CCOc1c(Cl)cccc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001177299247 1050180423 /nfs/dbraw/zinc/18/04/23/1050180423.db2.gz METZTIGLMJEHSP-INIZCTEOSA-N 1 3 338.923 4.340 20 0 EIADHO CCOc1c(Cl)cccc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC001177299247 1050180433 /nfs/dbraw/zinc/18/04/33/1050180433.db2.gz METZTIGLMJEHSP-INIZCTEOSA-N 1 3 338.923 4.340 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC001172881694 1050222834 /nfs/dbraw/zinc/22/28/34/1050222834.db2.gz HOXNYGBYSAZFRG-OAHLLOKOSA-N 1 3 326.937 4.286 20 0 EIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173207339 1050368589 /nfs/dbraw/zinc/36/85/89/1050368589.db2.gz QVKQXBUGCXEIDV-PMOQBDJRSA-N 1 3 348.534 4.481 20 0 EIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173207339 1050368600 /nfs/dbraw/zinc/36/86/00/1050368600.db2.gz QVKQXBUGCXEIDV-PMOQBDJRSA-N 1 3 348.534 4.481 20 0 EIADHO CC[C@H]1CC[C@@H]([NH+]2CCC3(CCCN3Cc3c(C)noc3C)CC2)C1 ZINC001173284387 1050411412 /nfs/dbraw/zinc/41/14/12/1050411412.db2.gz ZNLMFJFMJWUCDC-RBUKOAKNSA-N 1 3 345.531 4.301 20 0 EIADHO NC1(Cc2cccnc2)CC[NH+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173346167 1050436608 /nfs/dbraw/zinc/43/66/08/1050436608.db2.gz ZQKRCIQZRPUJPQ-FQEVSTJZSA-N 1 3 341.543 4.311 20 0 EIADHO Cc1cccc2cc(CNCC3CC[NH+](C4CC4)CC3)c(Cl)nc12 ZINC001178605809 1050515815 /nfs/dbraw/zinc/51/58/15/1050515815.db2.gz QTNNBPSTUMSXOM-UHFFFAOYSA-N 1 3 343.902 4.161 20 0 EIADHO COc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC001179205096 1050649969 /nfs/dbraw/zinc/64/99/69/1050649969.db2.gz JHIUIRRSTJJVLO-UTKZUKDTSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC001179205096 1050649974 /nfs/dbraw/zinc/64/99/74/1050649974.db2.gz JHIUIRRSTJJVLO-UTKZUKDTSA-N 1 3 338.495 4.146 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2ccsc2)ccc1OC ZINC000182423719 1050650692 /nfs/dbraw/zinc/65/06/92/1050650692.db2.gz JPMMXTUSPBJOBI-OAHLLOKOSA-N 1 3 332.513 4.449 20 0 EIADHO CCCCCCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1 ZINC001179816795 1050786607 /nfs/dbraw/zinc/78/66/07/1050786607.db2.gz NTXGFHPXNHPHEP-HMXCVIKNSA-N 1 3 330.516 4.076 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC001180301654 1050945808 /nfs/dbraw/zinc/94/58/08/1050945808.db2.gz OUDFYHZMGVUPNG-ZHNGQKSSSA-N 1 3 326.528 4.455 20 0 EIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001180810298 1051088114 /nfs/dbraw/zinc/08/81/14/1051088114.db2.gz KZVSXISZRZMZFE-HZPDHXFCSA-N 1 3 342.449 4.491 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)SC)cc1CN1CCCCC1 ZINC000183378190 1051102906 /nfs/dbraw/zinc/10/29/06/1051102906.db2.gz WTMDLUBOAOHFFD-CVEARBPZSA-N 1 3 336.545 4.083 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2ccsc2)ccc1OC ZINC000775365188 1051134543 /nfs/dbraw/zinc/13/45/43/1051134543.db2.gz PAHFXVCTRHNTAA-MRXNPFEDSA-N 1 3 346.540 4.492 20 0 EIADHO c1cc2cc(CNC[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000385729278 1051175167 /nfs/dbraw/zinc/17/51/67/1051175167.db2.gz KHFVLPPQPCPLAU-HXUWFJFHSA-N 1 3 333.479 4.170 20 0 EIADHO c1cc2cc(CNC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000385729278 1051175176 /nfs/dbraw/zinc/17/51/76/1051175176.db2.gz KHFVLPPQPCPLAU-HXUWFJFHSA-N 1 3 333.479 4.170 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(SC(F)F)ccc32)CC[N@@H+]1C ZINC000775393147 1051200060 /nfs/dbraw/zinc/20/00/60/1051200060.db2.gz LNHQCZMULJIFDY-MRRJBJDNSA-N 1 3 340.483 4.451 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(SC(F)F)ccc32)CC[N@H+]1C ZINC000775393147 1051200075 /nfs/dbraw/zinc/20/00/75/1051200075.db2.gz LNHQCZMULJIFDY-MRRJBJDNSA-N 1 3 340.483 4.451 20 0 EIADHO C[NH+](C)Cc1cccc(CNCc2cccc(OC3CCCC3)c2)c1 ZINC000077506823 1051217790 /nfs/dbraw/zinc/21/77/90/1051217790.db2.gz YJFYGMOUHARVRY-UHFFFAOYSA-N 1 3 338.495 4.359 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1CN1CCCCC1 ZINC000775425291 1051316784 /nfs/dbraw/zinc/31/67/84/1051316784.db2.gz XOENLWBRRLWMMG-DLBZAZTESA-N 1 3 341.499 4.421 20 0 EIADHO COC1CCC(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001182196751 1051423626 /nfs/dbraw/zinc/42/36/26/1051423626.db2.gz VYPCYJWRXXRGSQ-IRQNMHNUSA-N 1 3 344.543 4.084 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@H]1C ZINC001191417132 1051453460 /nfs/dbraw/zinc/45/34/60/1051453460.db2.gz NMPYNGKWAVSPED-KDOFPFPSSA-N 1 3 331.891 4.193 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@H]1C ZINC001191417132 1051453467 /nfs/dbraw/zinc/45/34/67/1051453467.db2.gz NMPYNGKWAVSPED-KDOFPFPSSA-N 1 3 331.891 4.193 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc2cc(OC)ccc2c1 ZINC000163256000 1051564277 /nfs/dbraw/zinc/56/42/77/1051564277.db2.gz FLZBKIBHOAJHLJ-IIBYNOLFSA-N 1 3 326.484 4.231 20 0 EIADHO C[C@]1(C[NH2+]CC2CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC001182780625 1051711210 /nfs/dbraw/zinc/71/12/10/1051711210.db2.gz ANCMXQMTACHXRE-DHIUTWEWSA-N 1 3 349.522 4.077 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103681 1051713493 /nfs/dbraw/zinc/71/34/93/1051713493.db2.gz VWGONZGOKZVIMA-KGLIPLIRSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103681 1051713504 /nfs/dbraw/zinc/71/35/04/1051713504.db2.gz VWGONZGOKZVIMA-KGLIPLIRSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000775549669 1051816032 /nfs/dbraw/zinc/81/60/32/1051816032.db2.gz ZGZFYQFQQKMWJZ-ZFWWWQNUSA-N 1 3 330.394 4.110 20 0 EIADHO C[C@]12CN(CC[C@H]3CCCC3(F)F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001175974393 1051856895 /nfs/dbraw/zinc/85/68/95/1051856895.db2.gz UUXHMSUGLUUFPK-HSALFYBXSA-N 1 3 348.481 4.266 20 0 EIADHO C[C@]12CN(CC[C@H]3CCCC3(F)F)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001175974393 1051856903 /nfs/dbraw/zinc/85/69/03/1051856903.db2.gz UUXHMSUGLUUFPK-HSALFYBXSA-N 1 3 348.481 4.266 20 0 EIADHO C[NH+](C)CC[C@H](N[C@H]1CC[C@](C)(c2ccccc2)C1)c1cccnc1 ZINC001183919254 1051928485 /nfs/dbraw/zinc/92/84/85/1051928485.db2.gz HXVPKHKAUOOSPB-FKBYEOEOSA-N 1 3 337.511 4.174 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(OC)cc2)c1 ZINC000163568640 1051995384 /nfs/dbraw/zinc/99/53/84/1051995384.db2.gz KSTIPEHDQDJCIS-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO Cc1ccsc1[C@@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165309837 1052058692 /nfs/dbraw/zinc/05/86/92/1052058692.db2.gz DLVLXDIJMLATDM-IEBWSBKVSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccsc1[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165309837 1052058703 /nfs/dbraw/zinc/05/87/03/1052058703.db2.gz DLVLXDIJMLATDM-IEBWSBKVSA-N 1 3 328.525 4.272 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2scnc2c1 ZINC001177127970 1052227798 /nfs/dbraw/zinc/22/77/98/1052227798.db2.gz YOFJGTFCOGZTNC-UHFFFAOYSA-N 1 3 339.508 4.428 20 0 EIADHO C[C@@H](NCc1ccc(Cl)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000177861134 1052693489 /nfs/dbraw/zinc/69/34/89/1052693489.db2.gz GRBLIHIMUHVPKG-CYBMUJFWSA-N 1 3 338.904 4.193 20 0 EIADHO COc1ccc(C[C@H](C)C[NH2+]C2CCN(C3CCCC3)CC2)cc1F ZINC000185301370 1053016357 /nfs/dbraw/zinc/01/63/57/1053016357.db2.gz DRMVODBCXMOTLQ-INIZCTEOSA-N 1 3 348.506 4.010 20 0 EIADHO CCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381131098 1053054934 /nfs/dbraw/zinc/05/49/34/1053054934.db2.gz KHCIPDQMARXAJU-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO CCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381131098 1053054935 /nfs/dbraw/zinc/05/49/35/1053054935.db2.gz KHCIPDQMARXAJU-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381292723 1053064605 /nfs/dbraw/zinc/06/46/05/1053064605.db2.gz XSEUXLLPDKTBNX-HBFSDRIKSA-N 1 3 338.495 4.256 20 0 EIADHO CC(C)c1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850361708 1053133475 /nfs/dbraw/zinc/13/34/75/1053133475.db2.gz BMXBVCIIHRKGAM-UHFFFAOYSA-N 1 3 337.511 4.207 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850514253 1053274701 /nfs/dbraw/zinc/27/47/01/1053274701.db2.gz LUDYRXPJDBXXIB-KRWDZBQOSA-N 1 3 341.474 4.092 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)ccc1OC ZINC000850536866 1053301057 /nfs/dbraw/zinc/30/10/57/1053301057.db2.gz OIFQRZBCIHYKGG-RDTXWAMCSA-N 1 3 340.458 4.233 20 0 EIADHO Cc1c(C)c(C)c(C[N@@H+]2CCCN(c3ccncc3)CC2)c(C)c1C ZINC001195537092 1053429922 /nfs/dbraw/zinc/42/99/22/1053429922.db2.gz XZSBCSMTZROHRL-UHFFFAOYSA-N 1 3 337.511 4.336 20 0 EIADHO Cc1c(C)c(C)c(C[N@H+]2CCCN(c3ccncc3)CC2)c(C)c1C ZINC001195537092 1053429929 /nfs/dbraw/zinc/42/99/29/1053429929.db2.gz XZSBCSMTZROHRL-UHFFFAOYSA-N 1 3 337.511 4.336 20 0 EIADHO Fc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000159637395 1053495112 /nfs/dbraw/zinc/49/51/12/1053495112.db2.gz XNZVANNBENMDBU-UHFFFAOYSA-N 1 3 332.850 4.365 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CF)cc1 ZINC000775686401 1053569181 /nfs/dbraw/zinc/56/91/81/1053569181.db2.gz GLTHFCTUBUFUTC-DYESRHJHSA-N 1 3 326.459 4.156 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CF)cc1 ZINC000775686401 1053569191 /nfs/dbraw/zinc/56/91/91/1053569191.db2.gz GLTHFCTUBUFUTC-DYESRHJHSA-N 1 3 326.459 4.156 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CF)cc1 ZINC000775686404 1053569660 /nfs/dbraw/zinc/56/96/60/1053569660.db2.gz GLTHFCTUBUFUTC-UWJYYQICSA-N 1 3 326.459 4.156 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CF)cc1 ZINC000775686404 1053569667 /nfs/dbraw/zinc/56/96/67/1053569667.db2.gz GLTHFCTUBUFUTC-UWJYYQICSA-N 1 3 326.459 4.156 20 0 EIADHO C[NH+](C)C1(C)CCC(NCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000865765973 1053589215 /nfs/dbraw/zinc/58/92/15/1053589215.db2.gz VJAMHKGEWUZHDU-UHFFFAOYSA-N 1 3 347.503 4.302 20 0 EIADHO C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386238407 1053644947 /nfs/dbraw/zinc/64/49/47/1053644947.db2.gz BOAPTJQWEWMOHV-YLJYHZDGSA-N 1 3 334.463 4.433 20 0 EIADHO Fc1ccc([C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283349 1053663967 /nfs/dbraw/zinc/66/39/67/1053663967.db2.gz BIJOXOQOUJZNKH-XMSQKQJNSA-N 1 3 338.470 4.389 20 0 EIADHO Fc1ccc([C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283349 1053663976 /nfs/dbraw/zinc/66/39/76/1053663976.db2.gz BIJOXOQOUJZNKH-XMSQKQJNSA-N 1 3 338.470 4.389 20 0 EIADHO Fc1ccc([C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283346 1053664257 /nfs/dbraw/zinc/66/42/57/1053664257.db2.gz BIJOXOQOUJZNKH-GCJKJVERSA-N 1 3 338.470 4.389 20 0 EIADHO Fc1ccc([C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000386283346 1053664271 /nfs/dbraw/zinc/66/42/71/1053664271.db2.gz BIJOXOQOUJZNKH-GCJKJVERSA-N 1 3 338.470 4.389 20 0 EIADHO COc1ccc(C(C)C)cc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001196798263 1053758872 /nfs/dbraw/zinc/75/88/72/1053758872.db2.gz JWHITCLCDMFJTB-UHFFFAOYSA-N 1 3 330.516 4.126 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000121109530 1053767053 /nfs/dbraw/zinc/76/70/53/1053767053.db2.gz HHLRBCFUCMNSMK-VQIMIIECSA-N 1 3 348.531 4.145 20 0 EIADHO CCOc1cccc([C@H](C)NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000123940138 1054381718 /nfs/dbraw/zinc/38/17/18/1054381718.db2.gz OFFODTACZPTHFY-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO CCOc1cccc([C@H](C)NCc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000123940138 1054381731 /nfs/dbraw/zinc/38/17/31/1054381731.db2.gz OFFODTACZPTHFY-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2cccc(Cl)c2N)cc1 ZINC000876900062 1054979011 /nfs/dbraw/zinc/97/90/11/1054979011.db2.gz VKCOALKSZGFQCS-UHFFFAOYSA-N 1 3 331.891 4.054 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000474482806 1055887272 /nfs/dbraw/zinc/88/72/72/1055887272.db2.gz PBEZPRWOVSGWPS-KLAILNCOSA-N 1 3 334.470 4.455 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474710960 1055997705 /nfs/dbraw/zinc/99/77/05/1055997705.db2.gz JZUPHWQZICZLLK-XNIRIUNOSA-N 1 3 334.470 4.454 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101518 1060636686 /nfs/dbraw/zinc/63/66/86/1060636686.db2.gz TZEYQEIFWNTAQB-XLMAVXFVSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101518 1060636692 /nfs/dbraw/zinc/63/66/92/1060636692.db2.gz TZEYQEIFWNTAQB-XLMAVXFVSA-N 1 3 349.316 4.041 20 0 EIADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000036991667 522562406 /nfs/dbraw/zinc/56/24/06/522562406.db2.gz LVSRREZYZJLHHH-HMQMGEFJSA-N 1 3 337.305 4.115 20 0 EIADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000036991667 522562409 /nfs/dbraw/zinc/56/24/09/522562409.db2.gz LVSRREZYZJLHHH-HMQMGEFJSA-N 1 3 337.305 4.115 20 0 EIADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000415014151 1023394317 /nfs/dbraw/zinc/39/43/17/1023394317.db2.gz LMDKTYVZBLAIPK-QWRGUYRKSA-N 1 3 339.302 4.003 20 0 EIADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCN(CC(C)C)CC1)CCCO2 ZINC000532198167 1032083547 /nfs/dbraw/zinc/08/35/47/1032083547.db2.gz KJSQLKGZMYBWHP-FQEVSTJZSA-N 1 3 330.516 4.227 20 0 EIADHO COc1cc(CNCc2ccccc2C[N@H+](C)C(C)C)ccc1C ZINC000194238605 1032248237 /nfs/dbraw/zinc/24/82/37/1032248237.db2.gz WXVXFPFSZGGODW-UHFFFAOYSA-N 1 3 326.484 4.134 20 0 EIADHO COc1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)ccc1C ZINC000194238605 1032248243 /nfs/dbraw/zinc/24/82/43/1032248243.db2.gz WXVXFPFSZGGODW-UHFFFAOYSA-N 1 3 326.484 4.134 20 0 EIADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCCC1(F)F ZINC000450455630 1032511483 /nfs/dbraw/zinc/51/14/83/1032511483.db2.gz OFYUOHGZROAWRC-OALUTQOASA-N 1 3 336.470 4.266 20 0 EIADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCCC1(F)F ZINC000450455630 1032511487 /nfs/dbraw/zinc/51/14/87/1032511487.db2.gz OFYUOHGZROAWRC-OALUTQOASA-N 1 3 336.470 4.266 20 0 EIADHO c1ccc(CSCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535627061 1020011660 /nfs/dbraw/zinc/01/16/60/1020011660.db2.gz RPBWSOVUWQQMQL-CTNGQTDRSA-N 1 3 344.568 4.259 20 0 EIADHO c1ccc(CSCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535627061 1020011674 /nfs/dbraw/zinc/01/16/74/1020011674.db2.gz RPBWSOVUWQQMQL-CTNGQTDRSA-N 1 3 344.568 4.259 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398172925 1020515296 /nfs/dbraw/zinc/51/52/96/1020515296.db2.gz IGWVBDGHPDVTFL-NPPFBWRTSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398172925 1020515315 /nfs/dbraw/zinc/51/53/15/1020515315.db2.gz IGWVBDGHPDVTFL-NPPFBWRTSA-N 1 3 338.495 4.256 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2ccc(OC)cc21 ZINC000173227952 1021872738 /nfs/dbraw/zinc/87/27/38/1021872738.db2.gz CLBSGZHUOMXVNJ-JOCHJYFZSA-N 1 3 338.495 4.314 20 0 EIADHO CC1CC[NH+](Cc2cccc(CNCc3ccc4[nH]cnc4c3)c2)CC1 ZINC000518775988 1022022414 /nfs/dbraw/zinc/02/24/14/1022022414.db2.gz PAODBEPEFRRIRC-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1nccs1 ZINC000414219422 1022190052 /nfs/dbraw/zinc/19/00/52/1022190052.db2.gz HGLICUNTTHPDFQ-ZLPCBKJTSA-N 1 3 329.513 4.237 20 0 EIADHO C[C@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1nccs1 ZINC000414219422 1022190061 /nfs/dbraw/zinc/19/00/61/1022190061.db2.gz HGLICUNTTHPDFQ-ZLPCBKJTSA-N 1 3 329.513 4.237 20 0 EIADHO Cc1ccc(-c2ncc(CN3CCC(C[NH+](C)C)CC3)s2)cc1C ZINC000656250117 1022194396 /nfs/dbraw/zinc/19/43/96/1022194396.db2.gz JEPQMWMZJULFSX-UHFFFAOYSA-N 1 3 343.540 4.201 20 0 EIADHO CSc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000580604567 1022296327 /nfs/dbraw/zinc/29/63/27/1022296327.db2.gz XPCYEPKKAHWCOO-KRWDZBQOSA-N 1 3 346.565 4.124 20 0 EIADHO CC(C)N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414246313 1022305258 /nfs/dbraw/zinc/30/52/58/1022305258.db2.gz SCGDIJTXCXNDRZ-UHFFFAOYSA-N 1 3 345.712 4.065 20 0 EIADHO COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471602661 1022308143 /nfs/dbraw/zinc/30/81/43/1022308143.db2.gz CTHLLGUDIXOTHK-SOLBZPMBSA-N 1 3 344.524 4.318 20 0 EIADHO Cc1nc([C@H](C)NCC2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000378206377 1022514613 /nfs/dbraw/zinc/51/46/13/1022514613.db2.gz YZNMDDBVWMBZDD-INIZCTEOSA-N 1 3 343.540 4.057 20 0 EIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC000088163909 1022548716 /nfs/dbraw/zinc/54/87/16/1022548716.db2.gz XDUHJBGCTDZDSX-ODWCKFRGSA-N 1 3 343.334 4.177 20 0 EIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC000088163909 1022548735 /nfs/dbraw/zinc/54/87/35/1022548735.db2.gz XDUHJBGCTDZDSX-ODWCKFRGSA-N 1 3 343.334 4.177 20 0 EIADHO COc1cccc([C@H](C)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000310891194 1022680623 /nfs/dbraw/zinc/68/06/23/1022680623.db2.gz KPYVCGHXNWWOMP-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310891194 1022680633 /nfs/dbraw/zinc/68/06/33/1022680633.db2.gz KPYVCGHXNWWOMP-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(Br)s1 ZINC000376561715 1023032527 /nfs/dbraw/zinc/03/25/27/1023032527.db2.gz NRFDVCPCRDOXSC-HIFPTAJRSA-N 1 3 343.334 4.178 20 0 EIADHO CC[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)c1 ZINC000156181738 1023092705 /nfs/dbraw/zinc/09/27/05/1023092705.db2.gz UJLZUMHKENOZQR-UWJYYQICSA-N 1 3 340.515 4.035 20 0 EIADHO CC[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)c1 ZINC000156181738 1023092716 /nfs/dbraw/zinc/09/27/16/1023092716.db2.gz UJLZUMHKENOZQR-UWJYYQICSA-N 1 3 340.515 4.035 20 0 EIADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(Cl)c2cccnc12 ZINC000584808406 1023333897 /nfs/dbraw/zinc/33/38/97/1023333897.db2.gz PKQFXGPCHPUGIN-UHFFFAOYSA-N 1 3 331.891 4.196 20 0 EIADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(Cl)c2cccnc12 ZINC000584808406 1023333901 /nfs/dbraw/zinc/33/39/01/1023333901.db2.gz PKQFXGPCHPUGIN-UHFFFAOYSA-N 1 3 331.891 4.196 20 0 EIADHO [NH3+]CCC[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000415061546 1023413876 /nfs/dbraw/zinc/41/38/76/1023413876.db2.gz YKHWGXQFXDTEPB-KRWDZBQOSA-N 1 3 340.364 4.414 20 0 EIADHO c1ccc([C@H]2C[C@H](NCCOc3cccc4ccccc43)CC[NH2+]2)cc1 ZINC000415093827 1023438748 /nfs/dbraw/zinc/43/87/48/1023438748.db2.gz WEZHASLTYYDVHJ-IFMALSPDSA-N 1 3 346.474 4.302 20 0 EIADHO COc1ccc([C@H](NC2CCC([NH3+])CC2)c2ccccc2Cl)cc1 ZINC000415090863 1023442761 /nfs/dbraw/zinc/44/27/61/1023442761.db2.gz PLXQHZZMZDKZNL-PMTKGXAQSA-N 1 3 344.886 4.298 20 0 EIADHO Cc1nc([C@@H](C)NCC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000397532264 1023454709 /nfs/dbraw/zinc/45/47/09/1023454709.db2.gz ZZBGRGKTVSOJNU-OAHLLOKOSA-N 1 3 343.540 4.323 20 0 EIADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075194 1023485235 /nfs/dbraw/zinc/48/52/35/1023485235.db2.gz OOSYAWYCRPPOLI-GJZGRUSLSA-N 1 3 328.422 4.083 20 0 EIADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075194 1023485243 /nfs/dbraw/zinc/48/52/43/1023485243.db2.gz OOSYAWYCRPPOLI-GJZGRUSLSA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075194 1023485256 /nfs/dbraw/zinc/48/52/56/1023485256.db2.gz OOSYAWYCRPPOLI-GJZGRUSLSA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075194 1023485264 /nfs/dbraw/zinc/48/52/64/1023485264.db2.gz OOSYAWYCRPPOLI-GJZGRUSLSA-N 1 3 328.422 4.083 20 0 EIADHO c1sc(-c2ccccc2)nc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786256 1023526276 /nfs/dbraw/zinc/52/62/76/1023526276.db2.gz QYYUKPQVPIYOAI-GOSISDBHSA-N 1 3 341.524 4.022 20 0 EIADHO c1nc(-c2ccccc2)sc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785969 1023536247 /nfs/dbraw/zinc/53/62/47/1023536247.db2.gz OMPUKQUGCOIHLW-SFHVURJKSA-N 1 3 341.524 4.022 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000581847177 1023762345 /nfs/dbraw/zinc/76/23/45/1023762345.db2.gz XUMGTXUDNDRSLE-IHWMJMDHSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC[C@H]1CCC[N@H+](C)C1 ZINC000581847177 1023762352 /nfs/dbraw/zinc/76/23/52/1023762352.db2.gz XUMGTXUDNDRSLE-IHWMJMDHSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000581847176 1023762762 /nfs/dbraw/zinc/76/27/62/1023762762.db2.gz XUMGTXUDNDRSLE-IDJPSDCMSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C\c1cccc(C(F)(F)F)c1)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000581847176 1023762773 /nfs/dbraw/zinc/76/27/73/1023762773.db2.gz XUMGTXUDNDRSLE-IDJPSDCMSA-N 1 3 326.406 4.040 20 0 EIADHO C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000367698117 1023886394 /nfs/dbraw/zinc/88/63/94/1023886394.db2.gz NRSJTAUFTYPQCW-WBVHZDCISA-N 1 3 340.433 4.219 20 0 EIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651631489 1024058832 /nfs/dbraw/zinc/05/88/32/1024058832.db2.gz PORBNUADZUPDRO-UHFFFAOYSA-N 1 3 349.478 4.172 20 0 EIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651631489 1024058850 /nfs/dbraw/zinc/05/88/50/1024058850.db2.gz PORBNUADZUPDRO-UHFFFAOYSA-N 1 3 349.478 4.172 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000091469505 1024273291 /nfs/dbraw/zinc/27/32/91/1024273291.db2.gz UJXSKVMQHPDYIN-UHFFFAOYSA-N 1 3 339.321 4.112 20 0 EIADHO O=C1CCCC12CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000661960216 1024778783 /nfs/dbraw/zinc/77/87/83/1024778783.db2.gz IPDFUBMJZMIUJE-UHFFFAOYSA-N 1 3 340.511 4.008 20 0 EIADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1C(F)(F)F ZINC000662281304 1025031699 /nfs/dbraw/zinc/03/16/99/1025031699.db2.gz JDZZGIZXERBXFK-CYBMUJFWSA-N 1 3 334.385 4.202 20 0 EIADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CC(C)(C)Cc3occc32)cc1 ZINC000162500964 1025146735 /nfs/dbraw/zinc/14/67/35/1025146735.db2.gz QPDIOKXXGDCXGC-LJQANCHMSA-N 1 3 342.483 4.023 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001167833328 1025790657 /nfs/dbraw/zinc/79/06/57/1025790657.db2.gz AFRDRCNGTCXCIM-LPHOPBHVSA-N 1 3 338.536 4.426 20 0 EIADHO C[C@H]1C[N@H+](CCCN[C@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420126 1025899201 /nfs/dbraw/zinc/89/92/01/1025899201.db2.gz IYVIVNZMTWAMQW-UWJYYQICSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@H]1C[N@@H+](CCCN[C@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420126 1025899202 /nfs/dbraw/zinc/89/92/02/1025899202.db2.gz IYVIVNZMTWAMQW-UWJYYQICSA-N 1 3 348.506 4.148 20 0 EIADHO C[NH+](C)CCCOc1ccc(CNCc2ccc3occc3c2)cc1 ZINC000512137581 1026114515 /nfs/dbraw/zinc/11/45/15/1026114515.db2.gz VNOOACIEZMBWNQ-UHFFFAOYSA-N 1 3 338.451 4.053 20 0 EIADHO Fc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCC2)cc1 ZINC001167975142 1026223352 /nfs/dbraw/zinc/22/33/52/1026223352.db2.gz IMOVQGMIUXRQRK-SEJPIABJSA-N 1 3 342.502 4.286 20 0 EIADHO CN1CCC[C@@H]1CC[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511128568 1026658067 /nfs/dbraw/zinc/65/80/67/1026658067.db2.gz XLDQWOPHMLTJSY-MRXNPFEDSA-N 1 3 343.540 4.134 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000507507626 1026821531 /nfs/dbraw/zinc/82/15/31/1026821531.db2.gz IOOLLBJQJRQTIL-INDMIFKZSA-N 1 3 334.454 4.065 20 0 EIADHO c1ccc(OCCCCC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000188095272 1027077916 /nfs/dbraw/zinc/07/79/16/1027077916.db2.gz KKWJWDLLVGHSMA-UHFFFAOYSA-N 1 3 330.516 4.232 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1OC ZINC000474476297 1027105502 /nfs/dbraw/zinc/10/55/02/1027105502.db2.gz WXGBPMYDZGKMPK-KURKYZTESA-N 1 3 348.531 4.050 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@@H](C)[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000441107025 1027279084 /nfs/dbraw/zinc/27/90/84/1027279084.db2.gz WNMUZKYXZQAXDA-KURKYZTESA-N 1 3 344.634 4.200 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@@H](C)[N@H+]2CCCC[C@H](SC)C2)C1 ZINC000441107025 1027279099 /nfs/dbraw/zinc/27/90/99/1027279099.db2.gz WNMUZKYXZQAXDA-KURKYZTESA-N 1 3 344.634 4.200 20 0 EIADHO c1ccc([C@H]2CC[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613548 1027288276 /nfs/dbraw/zinc/28/82/76/1027288276.db2.gz NJJPKECTHKHIBF-GOTSBHOMSA-N 1 3 349.522 4.220 20 0 EIADHO c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613547 1027291495 /nfs/dbraw/zinc/29/14/95/1027291495.db2.gz NJJPKECTHKHIBF-DHIUTWEWSA-N 1 3 349.522 4.220 20 0 EIADHO Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)o1 ZINC000582813754 1027402991 /nfs/dbraw/zinc/40/29/91/1027402991.db2.gz SWHKJKAPHLQRNX-JWTNVVGKSA-N 1 3 342.458 4.451 20 0 EIADHO Cc1cc(F)ccc1-c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)o1 ZINC000582813754 1027403008 /nfs/dbraw/zinc/40/30/08/1027403008.db2.gz SWHKJKAPHLQRNX-JWTNVVGKSA-N 1 3 342.458 4.451 20 0 EIADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041210 1027432859 /nfs/dbraw/zinc/43/28/59/1027432859.db2.gz QZIAUKFOONSEBV-VXIBKDFQSA-N 1 3 336.470 4.405 20 0 EIADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041210 1027432867 /nfs/dbraw/zinc/43/28/67/1027432867.db2.gz QZIAUKFOONSEBV-VXIBKDFQSA-N 1 3 336.470 4.405 20 0 EIADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000441331231 1027469492 /nfs/dbraw/zinc/46/94/92/1027469492.db2.gz NMXPITKARPHRJM-GDBMZVCRSA-N 1 3 326.431 4.155 20 0 EIADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000441331231 1027469500 /nfs/dbraw/zinc/46/95/00/1027469500.db2.gz NMXPITKARPHRJM-GDBMZVCRSA-N 1 3 326.431 4.155 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000441359839 1027475754 /nfs/dbraw/zinc/47/57/54/1027475754.db2.gz RWPBRPUJYBBBSC-YOEHRIQHSA-N 1 3 339.321 4.316 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000441359839 1027475762 /nfs/dbraw/zinc/47/57/62/1027475762.db2.gz RWPBRPUJYBBBSC-YOEHRIQHSA-N 1 3 339.321 4.316 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441399026 1027521852 /nfs/dbraw/zinc/52/18/52/1027521852.db2.gz UEJKRHDGQKEZTK-FPOVZHCZSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441399026 1027521857 /nfs/dbraw/zinc/52/18/57/1027521857.db2.gz UEJKRHDGQKEZTK-FPOVZHCZSA-N 1 3 342.527 4.021 20 0 EIADHO CCCc1nc(C)c(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000428303328 1027546463 /nfs/dbraw/zinc/54/64/63/1027546463.db2.gz SJZCBQQUQKJYKB-UHFFFAOYSA-N 1 3 333.520 4.024 20 0 EIADHO COc1cccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167995088 1027742789 /nfs/dbraw/zinc/74/27/89/1027742789.db2.gz VOKSIDVKSHPBSP-XQXKNUKBSA-N 1 3 340.511 4.238 20 0 EIADHO COc1cccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167995088 1027742815 /nfs/dbraw/zinc/74/28/15/1027742815.db2.gz VOKSIDVKSHPBSP-XQXKNUKBSA-N 1 3 340.511 4.238 20 0 EIADHO Cc1cccc2[nH]cc(CC[NH2+]C3CCN(C4CCCC4)CC3)c21 ZINC000165267110 1028040094 /nfs/dbraw/zinc/04/00/94/1028040094.db2.gz CGKGAXSNLPOVNX-UHFFFAOYSA-N 1 3 325.500 4.015 20 0 EIADHO CCN(CC)CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001167663674 1028389089 /nfs/dbraw/zinc/38/90/89/1028389089.db2.gz IZRPEONMCDBPHO-LEWJYISDSA-N 1 3 332.532 4.087 20 0 EIADHO CCN(CC)CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001167663674 1028389109 /nfs/dbraw/zinc/38/91/09/1028389109.db2.gz IZRPEONMCDBPHO-LEWJYISDSA-N 1 3 332.532 4.087 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001167663674 1028389126 /nfs/dbraw/zinc/38/91/26/1028389126.db2.gz IZRPEONMCDBPHO-LEWJYISDSA-N 1 3 332.532 4.087 20 0 EIADHO Fc1cncc([C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)c1 ZINC000281137832 1028407786 /nfs/dbraw/zinc/40/77/86/1028407786.db2.gz FQUVCGXBXJZRGI-NRFANRHFSA-N 1 3 339.458 4.057 20 0 EIADHO Cc1cc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(C)c1O ZINC000583408122 1028669870 /nfs/dbraw/zinc/66/98/70/1028669870.db2.gz IYGRYYCDYREIEM-SFHVURJKSA-N 1 3 338.495 4.324 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc(C(F)(F)F)s2)C1 ZINC000443991943 1028712679 /nfs/dbraw/zinc/71/26/79/1028712679.db2.gz XJEAHAHGWWJEEX-CHWSQXEVSA-N 1 3 349.466 4.010 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CCCCC1 ZINC000346883710 1028800586 /nfs/dbraw/zinc/80/05/86/1028800586.db2.gz YYGODXWHFVDQIZ-SBHAEUEKSA-N 1 3 330.516 4.008 20 0 EIADHO COCCC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(F)cc1 ZINC000281880164 1028907378 /nfs/dbraw/zinc/90/73/78/1028907378.db2.gz GDLNGWTXJXLZPT-YLJYHZDGSA-N 1 3 336.495 4.003 20 0 EIADHO Cc1ccccc1C1(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000650740554 1029044134 /nfs/dbraw/zinc/04/41/34/1029044134.db2.gz MRBOPODWOUBXLX-IRLDBZIGSA-N 1 3 348.490 4.220 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000650757239 1029202532 /nfs/dbraw/zinc/20/25/32/1029202532.db2.gz SCRGVYNTNAJMAF-LJQANCHMSA-N 1 3 344.886 4.371 20 0 EIADHO CCOc1ccc([C@@H](C)NCc2ccccc2C[NH2+]C)cc1OCC ZINC000650757824 1029209669 /nfs/dbraw/zinc/20/96/69/1029209669.db2.gz BMMWHRSDGBMKSU-MRXNPFEDSA-N 1 3 342.483 4.054 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000475110733 1029267821 /nfs/dbraw/zinc/26/78/21/1029267821.db2.gz AFLGWGLINFKBEU-UHFFFAOYSA-N 1 3 346.421 4.285 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(C)c(O)c(C)c1 ZINC000324811970 1029368242 /nfs/dbraw/zinc/36/82/42/1029368242.db2.gz DDFGSLARLWEVQB-UHFFFAOYSA-N 1 3 326.484 4.141 20 0 EIADHO CN(C)[C@H]1CCC[N@H+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000475212398 1029443193 /nfs/dbraw/zinc/44/31/93/1029443193.db2.gz UQQQGHYKWUEKTB-SFHVURJKSA-N 1 3 342.449 4.444 20 0 EIADHO CN(C)[C@H]1CCC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000475212398 1029443204 /nfs/dbraw/zinc/44/32/04/1029443204.db2.gz UQQQGHYKWUEKTB-SFHVURJKSA-N 1 3 342.449 4.444 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000343564574 1029505465 /nfs/dbraw/zinc/50/54/65/1029505465.db2.gz VVKVRNCCIBQQPO-UHFFFAOYSA-N 1 3 334.552 4.106 20 0 EIADHO c1cc(Oc2ccccc2)oc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884055 1029630764 /nfs/dbraw/zinc/63/07/64/1029630764.db2.gz LVUJGNOOXWVOBN-UHFFFAOYSA-N 1 3 326.440 4.036 20 0 EIADHO Cc1c([C@@H](C)NCc2ccc(C[NH3+])cc2)cnn1-c1cc(C)ccc1C ZINC000584173263 1029657019 /nfs/dbraw/zinc/65/70/19/1029657019.db2.gz HNTPYTIPDUJEPZ-QGZVFWFLSA-N 1 3 348.494 4.107 20 0 EIADHO Cc1cc(C)c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000708511635 1029743343 /nfs/dbraw/zinc/74/33/43/1029743343.db2.gz DYLZFMPNCLCKFL-NFBKMPQASA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000708511635 1029743354 /nfs/dbraw/zinc/74/33/54/1029743354.db2.gz DYLZFMPNCLCKFL-NFBKMPQASA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1C ZINC000708511635 1029743360 /nfs/dbraw/zinc/74/33/60/1029743360.db2.gz DYLZFMPNCLCKFL-NFBKMPQASA-N 1 3 336.523 4.470 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000584380785 1029794459 /nfs/dbraw/zinc/79/44/59/1029794459.db2.gz SDKIMIKXQCNPAK-IFMALSPDSA-N 1 3 344.543 4.084 20 0 EIADHO C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000089552530 1029855042 /nfs/dbraw/zinc/85/50/42/1029855042.db2.gz YXQGNGKSKOBELW-VFNWGFHPSA-N 1 3 342.458 4.104 20 0 EIADHO Cc1ccc(C)c([C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2)c1 ZINC000392266656 1030079246 /nfs/dbraw/zinc/07/92/46/1030079246.db2.gz OQQNUZCYDRYQMX-XXBNENTESA-N 1 3 334.507 4.467 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCc2cc(F)ccc21 ZINC000398107408 1030696449 /nfs/dbraw/zinc/69/64/49/1030696449.db2.gz BYHHGMZJGWHUQN-XGRCMKMKSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCc2cc(F)ccc21 ZINC000398107408 1030696474 /nfs/dbraw/zinc/69/64/74/1030696474.db2.gz BYHHGMZJGWHUQN-XGRCMKMKSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1coc2ccccc12 ZINC000398108256 1030698759 /nfs/dbraw/zinc/69/87/59/1030698759.db2.gz CDZZNAMKPLQJRD-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1coc2ccccc12 ZINC000398108256 1030698768 /nfs/dbraw/zinc/69/87/68/1030698768.db2.gz CDZZNAMKPLQJRD-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO CCc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658168885 1030863987 /nfs/dbraw/zinc/86/39/87/1030863987.db2.gz ZXUOAABZDFKARH-INIZCTEOSA-N 1 3 343.540 4.268 20 0 EIADHO Cc1ccc(C2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000658166351 1030864073 /nfs/dbraw/zinc/86/40/73/1030864073.db2.gz NWUSHVDGMNCMMN-UHFFFAOYSA-N 1 3 349.522 4.138 20 0 EIADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320000 1030980243 /nfs/dbraw/zinc/98/02/43/1030980243.db2.gz LPPXBLLDTCDEFJ-CTNGQTDRSA-N 1 3 349.522 4.343 20 0 EIADHO COc1ccc(C)cc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735355 1031205145 /nfs/dbraw/zinc/20/51/45/1031205145.db2.gz FGPBEBNGMKAZIS-UHFFFAOYSA-N 1 3 330.516 4.092 20 0 EIADHO C[NH+](C)CCCOc1ccc(CNCc2cccc3ccoc32)cc1 ZINC000449121957 1031461258 /nfs/dbraw/zinc/46/12/58/1031461258.db2.gz JWNRAVZTPDNEFG-UHFFFAOYSA-N 1 3 338.451 4.053 20 0 EIADHO Cc1nc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)cs1 ZINC000531698782 1031483059 /nfs/dbraw/zinc/48/30/59/1031483059.db2.gz VAKGOGDNNXNFCG-UHFFFAOYSA-N 1 3 341.524 4.083 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCOc3ccc(C)cc32)c1 ZINC000123946222 1031494752 /nfs/dbraw/zinc/49/47/52/1031494752.db2.gz CXZWFBYNEISKJW-NRFANRHFSA-N 1 3 338.495 4.450 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCOc3ccc(C)cc32)c1 ZINC000123946222 1031494758 /nfs/dbraw/zinc/49/47/58/1031494758.db2.gz CXZWFBYNEISKJW-NRFANRHFSA-N 1 3 338.495 4.450 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000422730139 1031582928 /nfs/dbraw/zinc/58/29/28/1031582928.db2.gz DKMKBCAKYWDSNC-LLVKDONJSA-N 1 3 338.282 4.049 20 0 EIADHO C[C@H](CN(Cc1ccco1)C1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449331212 1031626380 /nfs/dbraw/zinc/62/63/80/1031626380.db2.gz NRPJZEYWUKJVIL-OAHLLOKOSA-N 1 3 348.437 4.258 20 0 EIADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1csc(-c2ccccc2F)n1 ZINC000453416386 1031951013 /nfs/dbraw/zinc/95/10/13/1031951013.db2.gz XMMUMLIGZXHUEB-CQSZACIVSA-N 1 3 347.503 4.474 20 0 EIADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1csc(-c2ccccc2F)n1 ZINC000453416386 1031951031 /nfs/dbraw/zinc/95/10/31/1031951031.db2.gz XMMUMLIGZXHUEB-CQSZACIVSA-N 1 3 347.503 4.474 20 0 EIADHO C[N@@H+]1CCC[C@@]2(CCN(CCCOc3ccc4ccccc4c3)C2)C1 ZINC000549840767 1033295634 /nfs/dbraw/zinc/29/56/34/1033295634.db2.gz OBDIBUULPMCUHS-JOCHJYFZSA-N 1 3 338.495 4.026 20 0 EIADHO C[N@H+]1CCC[C@@]2(CCN(CCCOc3ccc4ccccc4c3)C2)C1 ZINC000549840767 1033295646 /nfs/dbraw/zinc/29/56/46/1033295646.db2.gz OBDIBUULPMCUHS-JOCHJYFZSA-N 1 3 338.495 4.026 20 0 EIADHO CSCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512633897 1033572736 /nfs/dbraw/zinc/57/27/36/1033572736.db2.gz AWGPDSDOTGQSFS-VAMGGRTRSA-N 1 3 332.557 4.020 20 0 EIADHO FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000513326244 1034878927 /nfs/dbraw/zinc/87/89/27/1034878927.db2.gz OIZAZQMCJHIYJJ-RHSMWYFYSA-N 1 3 332.454 4.352 20 0 EIADHO c1cncc([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C2CCC2)c1 ZINC000280150369 1035187539 /nfs/dbraw/zinc/18/75/39/1035187539.db2.gz AETLWXSQFISIQF-QFIPXVFZSA-N 1 3 335.495 4.308 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cc(Br)cs1 ZINC000226391531 1035361558 /nfs/dbraw/zinc/36/15/58/1035361558.db2.gz FXEINBNGPOUCLH-GFCCVEGCSA-N 1 3 331.323 4.037 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000501380185 1035429896 /nfs/dbraw/zinc/42/98/96/1035429896.db2.gz CUIZLRKKNOWIDT-LTBFUDJGSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000501380185 1035429901 /nfs/dbraw/zinc/42/99/01/1035429901.db2.gz CUIZLRKKNOWIDT-LTBFUDJGSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000501380185 1035429904 /nfs/dbraw/zinc/42/99/04/1035429904.db2.gz CUIZLRKKNOWIDT-LTBFUDJGSA-N 1 3 338.417 4.183 20 0 EIADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000501419515 1035441554 /nfs/dbraw/zinc/44/15/54/1035441554.db2.gz GZYHKHYRHXXEET-BAAYTWLHSA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000501419515 1035441557 /nfs/dbraw/zinc/44/15/57/1035441557.db2.gz GZYHKHYRHXXEET-BAAYTWLHSA-N 1 3 326.406 4.040 20 0 EIADHO c1cncc([C@@H]2CCC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000501454083 1035447978 /nfs/dbraw/zinc/44/79/78/1035447978.db2.gz UDFJQBGPAJORMW-NQIIRXRSSA-N 1 3 341.543 4.495 20 0 EIADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH]1 ZINC000575202763 1035721602 /nfs/dbraw/zinc/72/16/02/1035721602.db2.gz AQWWFFCBOLAPDP-VGOFRKELSA-N 1 3 347.506 4.477 20 0 EIADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)ccc2[nH]1 ZINC000575202763 1035721625 /nfs/dbraw/zinc/72/16/25/1035721625.db2.gz AQWWFFCBOLAPDP-VGOFRKELSA-N 1 3 347.506 4.477 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090595 1035940357 /nfs/dbraw/zinc/94/03/57/1035940357.db2.gz GHUSSRTXJLVXLT-RDTXWAMCSA-N 1 3 332.488 4.326 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090595 1035940395 /nfs/dbraw/zinc/94/03/95/1035940395.db2.gz GHUSSRTXJLVXLT-RDTXWAMCSA-N 1 3 332.488 4.326 20 0 EIADHO CC[NH+]1CCC(CN[C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000571138023 1035969484 /nfs/dbraw/zinc/96/94/84/1035969484.db2.gz UBAWAPFWNRZONH-HNNXBMFYSA-N 1 3 329.513 4.193 20 0 EIADHO CCCN1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000061016359 1036782149 /nfs/dbraw/zinc/78/21/49/1036782149.db2.gz PTQAULFXUZKCHR-UHFFFAOYSA-N 1 3 338.495 4.230 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc2ccc(F)cc2[nH]1 ZINC000486708669 1036821427 /nfs/dbraw/zinc/82/14/27/1036821427.db2.gz OWRZWOSTXCHSGJ-UHFFFAOYSA-N 1 3 339.458 4.439 20 0 EIADHO FC1(F)CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000503043872 1036883402 /nfs/dbraw/zinc/88/34/02/1036883402.db2.gz AUSUJBAESDVYOR-HSALFYBXSA-N 1 3 348.481 4.312 20 0 EIADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000486935528 1036905389 /nfs/dbraw/zinc/90/53/89/1036905389.db2.gz JKOJRLHJEKUGPQ-ZLHKHBAESA-N 1 3 335.495 4.117 20 0 EIADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000486935528 1036905411 /nfs/dbraw/zinc/90/54/11/1036905411.db2.gz JKOJRLHJEKUGPQ-ZLHKHBAESA-N 1 3 335.495 4.117 20 0 EIADHO CC1CC[NH+](Cc2cccc(CNC/C=C\c3ccncc3)c2)CC1 ZINC000487278499 1037092366 /nfs/dbraw/zinc/09/23/66/1037092366.db2.gz OCVGEHJFLNDWEJ-UTCJRWHESA-N 1 3 335.495 4.117 20 0 EIADHO Cc1ccc(-c2cc(CN3CCC(C[N@@H+](C)C(C)C)CC3)on2)cc1 ZINC000590786389 1037166426 /nfs/dbraw/zinc/16/64/26/1037166426.db2.gz VEDQNLXFFBBEHI-UHFFFAOYSA-N 1 3 341.499 4.202 20 0 EIADHO Cc1ccc(-c2cc(CN3CCC(C[N@H+](C)C(C)C)CC3)on2)cc1 ZINC000590786389 1037166436 /nfs/dbraw/zinc/16/64/36/1037166436.db2.gz VEDQNLXFFBBEHI-UHFFFAOYSA-N 1 3 341.499 4.202 20 0 EIADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000573596133 1037595788 /nfs/dbraw/zinc/59/57/88/1037595788.db2.gz CXUZOHUXCCXLCQ-MJSCBBHESA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000573596133 1037595805 /nfs/dbraw/zinc/59/58/05/1037595805.db2.gz CXUZOHUXCCXLCQ-MJSCBBHESA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000573596133 1037595813 /nfs/dbraw/zinc/59/58/13/1037595813.db2.gz CXUZOHUXCCXLCQ-MJSCBBHESA-N 1 3 340.433 4.430 20 0 EIADHO Cc1cc(C)c(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)c1 ZINC000488571541 1037668652 /nfs/dbraw/zinc/66/86/52/1037668652.db2.gz STTYPOQFVNSGBI-QFIPXVFZSA-N 1 3 336.523 4.266 20 0 EIADHO Cc1cc(C)c(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)c1 ZINC000488571541 1037668657 /nfs/dbraw/zinc/66/86/57/1037668657.db2.gz STTYPOQFVNSGBI-QFIPXVFZSA-N 1 3 336.523 4.266 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(C)c1 ZINC000488571541 1037668665 /nfs/dbraw/zinc/66/86/65/1037668665.db2.gz STTYPOQFVNSGBI-QFIPXVFZSA-N 1 3 336.523 4.266 20 0 EIADHO CC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)N(CC)CC ZINC000605425137 1037778938 /nfs/dbraw/zinc/77/89/38/1037778938.db2.gz WFQOCXCEMFBPLS-PXNSSMCTSA-N 1 3 345.531 4.120 20 0 EIADHO CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N(CC)CC ZINC000605425137 1037778954 /nfs/dbraw/zinc/77/89/54/1037778954.db2.gz WFQOCXCEMFBPLS-PXNSSMCTSA-N 1 3 345.531 4.120 20 0 EIADHO c1ccc2cc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422700359 1037801514 /nfs/dbraw/zinc/80/15/14/1037801514.db2.gz GRGCRDWYRJSXEZ-GGAORHGYSA-N 1 3 344.458 4.185 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000422769110 1037829174 /nfs/dbraw/zinc/82/91/74/1037829174.db2.gz STIMPJWXUJYTFZ-DJJJIMSYSA-N 1 3 329.875 4.304 20 0 EIADHO CCC(CC)(C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000422797466 1037836800 /nfs/dbraw/zinc/83/68/00/1037836800.db2.gz MQAHSVQSAWJGIZ-INIZCTEOSA-N 1 3 325.500 4.257 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000422824154 1037841780 /nfs/dbraw/zinc/84/17/80/1037841780.db2.gz NEHBIGDDJWABGV-CVEARBPZSA-N 1 3 346.478 4.323 20 0 EIADHO FC(F)(F)c1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000422831612 1037843740 /nfs/dbraw/zinc/84/37/40/1037843740.db2.gz WVLAQMDYYBJLML-SJORKVTESA-N 1 3 326.406 4.073 20 0 EIADHO COc1ccc([C@H](C)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311123374 1037858980 /nfs/dbraw/zinc/85/89/80/1037858980.db2.gz HPZJHEKDDHEXNG-PGRDOPGGSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311123374 1037858992 /nfs/dbraw/zinc/85/89/92/1037858992.db2.gz HPZJHEKDDHEXNG-PGRDOPGGSA-N 1 3 338.495 4.258 20 0 EIADHO c1sc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422914469 1037868985 /nfs/dbraw/zinc/86/89/85/1037868985.db2.gz UHXUVEMTMONYPW-RCCFBDPRSA-N 1 3 347.572 4.244 20 0 EIADHO COc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)cc1 ZINC000422927733 1037870839 /nfs/dbraw/zinc/87/08/39/1037870839.db2.gz ZYRCUBPYYWVYDP-LIRRHRJNSA-N 1 3 332.875 4.155 20 0 EIADHO COc1ccc([C@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)cc1 ZINC000422927732 1037871750 /nfs/dbraw/zinc/87/17/50/1037871750.db2.gz ZYRCUBPYYWVYDP-KUHUBIRLSA-N 1 3 332.875 4.155 20 0 EIADHO COc1ccccc1SC[C@H](C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422947684 1037885313 /nfs/dbraw/zinc/88/53/13/1037885313.db2.gz QWTFEVIMJFDJTD-OLMNPRSZSA-N 1 3 342.508 4.158 20 0 EIADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422982770 1037895255 /nfs/dbraw/zinc/89/52/55/1037895255.db2.gz RGPSCLCPZWDWHV-CXAGYDPISA-N 1 3 331.891 4.174 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(C(C)C)cc1 ZINC000423023353 1037907416 /nfs/dbraw/zinc/90/74/16/1037907416.db2.gz JQFXIDNPUIWJBM-CVEARBPZSA-N 1 3 325.500 4.254 20 0 EIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(C2CCC2)cc1 ZINC000423067840 1037932594 /nfs/dbraw/zinc/93/25/94/1037932594.db2.gz AGHPXJNQYUNESD-GGAORHGYSA-N 1 3 348.490 4.300 20 0 EIADHO Fc1c(Cl)cccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000423070910 1037934103 /nfs/dbraw/zinc/93/41/03/1037934103.db2.gz GXSLKPNSPWBORK-YIONKMFJSA-N 1 3 336.882 4.164 20 0 EIADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423096954 1037955352 /nfs/dbraw/zinc/95/53/52/1037955352.db2.gz QDQQPIQVEYPUSB-NXNVCVFFSA-N 1 3 326.406 4.059 20 0 EIADHO Cc1cc([C@@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000423146634 1037999537 /nfs/dbraw/zinc/99/95/37/1037999537.db2.gz PUVDPGSUIITNAQ-VMRPVKRXSA-N 1 3 340.442 4.041 20 0 EIADHO Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423132906 1038009410 /nfs/dbraw/zinc/00/94/10/1038009410.db2.gz PSHKXABLJGFXBU-MQSCRBSSSA-N 1 3 348.490 4.218 20 0 EIADHO CC(C)[C@@H](NCCC[NH2+]Cc1cccnc1)c1cc2ccccc2o1 ZINC000423193125 1038048591 /nfs/dbraw/zinc/04/85/91/1038048591.db2.gz WOXCAMJWAYTFBU-OAQYLSRUSA-N 1 3 337.467 4.294 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCS2 ZINC000423295684 1038122579 /nfs/dbraw/zinc/12/25/79/1038122579.db2.gz XEICSOYVSQAHKA-KUHUBIRLSA-N 1 3 342.508 4.432 20 0 EIADHO C[C@@H]1C[C@H]([NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)CCN1 ZINC000423377841 1038189843 /nfs/dbraw/zinc/18/98/43/1038189843.db2.gz KNWHUARWQYUTEW-YHDCKOJYSA-N 1 3 340.433 4.462 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCCS2 ZINC000423406077 1038218827 /nfs/dbraw/zinc/21/88/27/1038218827.db2.gz YJWZBSFAGRTPFX-LJQANCHMSA-N 1 3 340.492 4.015 20 0 EIADHO C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574957 1038220737 /nfs/dbraw/zinc/22/07/37/1038220737.db2.gz IWCUBFKIBVQUGL-QFBILLFUSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574957 1038220754 /nfs/dbraw/zinc/22/07/54/1038220754.db2.gz IWCUBFKIBVQUGL-QFBILLFUSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccccc1Br ZINC000423461582 1038240779 /nfs/dbraw/zinc/24/07/79/1038240779.db2.gz SYDZGXLSRIDLPS-KDOFPFPSSA-N 1 3 347.300 4.256 20 0 EIADHO FCCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423467456 1038245181 /nfs/dbraw/zinc/24/51/81/1038245181.db2.gz IYTMEFHQWWHVNF-PIKOESSRSA-N 1 3 336.470 4.027 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](N[C@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000490269972 1038419212 /nfs/dbraw/zinc/41/92/12/1038419212.db2.gz FJHMJMMQTCHPLV-QIJUGHKUSA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](N[C@H]2CCCc3ccc(C)cc32)[C@H](C)C1 ZINC000490269972 1038419235 /nfs/dbraw/zinc/41/92/35/1038419235.db2.gz FJHMJMMQTCHPLV-QIJUGHKUSA-N 1 3 344.543 4.099 20 0 EIADHO C[C@H]1C[C@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@@H+]1C ZINC000608061535 1038448204 /nfs/dbraw/zinc/44/82/04/1038448204.db2.gz JLQCDGZVCNUQEF-GHTZIAJQSA-N 1 3 347.506 4.262 20 0 EIADHO C[C@H]1C[C@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@H+]1C ZINC000608061535 1038448208 /nfs/dbraw/zinc/44/82/08/1038448208.db2.gz JLQCDGZVCNUQEF-GHTZIAJQSA-N 1 3 347.506 4.262 20 0 EIADHO Cc1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)c(CN(C)C)c1 ZINC000424146064 1038640111 /nfs/dbraw/zinc/64/01/11/1038640111.db2.gz OWSYOHWNEIGEGT-IBGZPJMESA-N 1 3 345.531 4.073 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424311949 1038800183 /nfs/dbraw/zinc/80/01/83/1038800183.db2.gz LNZKKMFZBSLTNU-RTBURBONSA-N 1 3 343.540 4.137 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@@H](C(C)(C)C)C3)CC2)C1 ZINC000539064330 1038809335 /nfs/dbraw/zinc/80/93/35/1038809335.db2.gz AJXYNXNAEJYTCX-BTHPGYMESA-N 1 3 336.564 4.213 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)c3c2cccc3C)[C@@H](C)C1 ZINC000504921120 1038845012 /nfs/dbraw/zinc/84/50/12/1038845012.db2.gz QXKPVXUODWIJDB-JYAXBFRTSA-N 1 3 344.543 4.270 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)c3c2cccc3C)[C@@H](C)C1 ZINC000504921120 1038845015 /nfs/dbraw/zinc/84/50/15/1038845015.db2.gz QXKPVXUODWIJDB-JYAXBFRTSA-N 1 3 344.543 4.270 20 0 EIADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000539394940 1039028961 /nfs/dbraw/zinc/02/89/61/1039028961.db2.gz AISZRCPHIFQRIW-QRQLOZEOSA-N 1 3 328.500 4.143 20 0 EIADHO CSCc1cccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550795725 1039300831 /nfs/dbraw/zinc/30/08/31/1039300831.db2.gz XBCGODVDJSZLJG-SFTDATJTSA-N 1 3 340.536 4.475 20 0 EIADHO CSCc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550795725 1039300853 /nfs/dbraw/zinc/30/08/53/1039300853.db2.gz XBCGODVDJSZLJG-SFTDATJTSA-N 1 3 340.536 4.475 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000534343353 1039331888 /nfs/dbraw/zinc/33/18/88/1039331888.db2.gz WSZRWYBJXPLTEX-UHFFFAOYSA-N 1 3 335.561 4.355 20 0 EIADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cc2c(s1)CCC2 ZINC000122346501 1039656650 /nfs/dbraw/zinc/65/66/50/1039656650.db2.gz BYQBRTYPFZJKQA-OAHLLOKOSA-N 1 3 344.524 4.028 20 0 EIADHO Cc1ccccc1C1(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000481925294 1039900527 /nfs/dbraw/zinc/90/05/27/1039900527.db2.gz MQZGVHYAXMLPLC-UHFFFAOYSA-N 1 3 326.528 4.413 20 0 EIADHO Cc1ccccc1C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000481925294 1039900559 /nfs/dbraw/zinc/90/05/59/1039900559.db2.gz MQZGVHYAXMLPLC-UHFFFAOYSA-N 1 3 326.528 4.413 20 0 EIADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000510031682 1040125725 /nfs/dbraw/zinc/12/57/25/1040125725.db2.gz YLHRFYLIEZMGHS-VKAVYKQESA-N 1 3 330.516 4.089 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1 ZINC000479117828 1040149532 /nfs/dbraw/zinc/14/95/32/1040149532.db2.gz IGCXAKKVHXNFIE-FQEVSTJZSA-N 1 3 344.886 4.058 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000482360658 1040200775 /nfs/dbraw/zinc/20/07/75/1040200775.db2.gz PWNPKNDLFDULPH-CABCVRRESA-N 1 3 344.421 4.356 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000479420303 1040322946 /nfs/dbraw/zinc/32/29/46/1040322946.db2.gz HVSRFICGYDFIFS-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO c1c2ccncc2sc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000667501711 1040411488 /nfs/dbraw/zinc/41/14/88/1040411488.db2.gz HUCIMKPPWHKVLK-UHFFFAOYSA-N 1 3 343.540 4.384 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000668172368 1040605613 /nfs/dbraw/zinc/60/56/13/1040605613.db2.gz MCQRXBFJLKWDCD-MOPGFXCFSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000668172368 1040605620 /nfs/dbraw/zinc/60/56/20/1040605620.db2.gz MCQRXBFJLKWDCD-MOPGFXCFSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000668194368 1040643336 /nfs/dbraw/zinc/64/33/36/1040643336.db2.gz GMMAYUGHHPIXDZ-FQEVSTJZSA-N 1 3 341.524 4.036 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000668194368 1040643342 /nfs/dbraw/zinc/64/33/42/1040643342.db2.gz GMMAYUGHHPIXDZ-FQEVSTJZSA-N 1 3 341.524 4.036 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2cnc(C3CC3)s2)CC1)CC1CC1 ZINC000537756480 1040809191 /nfs/dbraw/zinc/80/91/91/1040809191.db2.gz YUXOAERRSUADJQ-UHFFFAOYSA-N 1 3 347.572 4.355 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2cnc(C3CC3)s2)CC1)CC1CC1 ZINC000537756480 1040809195 /nfs/dbraw/zinc/80/91/95/1040809195.db2.gz YUXOAERRSUADJQ-UHFFFAOYSA-N 1 3 347.572 4.355 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479434 1040871711 /nfs/dbraw/zinc/87/17/11/1040871711.db2.gz DWSGJCBCXCTQIF-IFMALSPDSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479434 1040871718 /nfs/dbraw/zinc/87/17/18/1040871718.db2.gz DWSGJCBCXCTQIF-IFMALSPDSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479434 1040871722 /nfs/dbraw/zinc/87/17/22/1040871722.db2.gz DWSGJCBCXCTQIF-IFMALSPDSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479434 1040871733 /nfs/dbraw/zinc/87/17/33/1040871733.db2.gz DWSGJCBCXCTQIF-IFMALSPDSA-N 1 3 338.495 4.025 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537952084 1040920148 /nfs/dbraw/zinc/92/01/48/1040920148.db2.gz PJKBCEQAMVFONV-AVRDEDQJSA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537952084 1040920166 /nfs/dbraw/zinc/92/01/66/1040920166.db2.gz PJKBCEQAMVFONV-AVRDEDQJSA-N 1 3 338.495 4.004 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740223 1040990167 /nfs/dbraw/zinc/99/01/67/1040990167.db2.gz HWPIKSPXGYGELJ-WIYYLYMNSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740223 1040990193 /nfs/dbraw/zinc/99/01/93/1040990193.db2.gz HWPIKSPXGYGELJ-WIYYLYMNSA-N 1 3 326.459 4.389 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000480171213 1041031205 /nfs/dbraw/zinc/03/12/05/1041031205.db2.gz JVXZZNFAJOIGNY-OAHLLOKOSA-N 1 3 344.421 4.154 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060501 1041032136 /nfs/dbraw/zinc/03/21/36/1041032136.db2.gz ZOMVNJIHEARLML-YVEFUNNKSA-N 1 3 327.299 4.376 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060501 1041032143 /nfs/dbraw/zinc/03/21/43/1041032143.db2.gz ZOMVNJIHEARLML-YVEFUNNKSA-N 1 3 327.299 4.376 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060501 1041032149 /nfs/dbraw/zinc/03/21/49/1041032149.db2.gz ZOMVNJIHEARLML-YVEFUNNKSA-N 1 3 327.299 4.376 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000554360895 1041036515 /nfs/dbraw/zinc/03/65/15/1041036515.db2.gz NOJUEJRABOUHFF-QUCCMNQESA-N 1 3 332.919 4.330 20 0 EIADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCCC2 ZINC000483841134 1041038980 /nfs/dbraw/zinc/03/89/80/1041038980.db2.gz VWMCBVHQELTRHW-VQTJNVASSA-N 1 3 334.548 4.111 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436270845 1041041896 /nfs/dbraw/zinc/04/18/96/1041041896.db2.gz BZLAJGWPPLYWJC-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cc2c(cccc2F)[nH]1 ZINC000436270845 1041041907 /nfs/dbraw/zinc/04/19/07/1041041907.db2.gz BZLAJGWPPLYWJC-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO FC(F)(F)Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629555054 1041045905 /nfs/dbraw/zinc/04/59/05/1041045905.db2.gz QLKASORGKGSIQK-RCCFBDPRSA-N 1 3 340.433 4.192 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000480244553 1041103021 /nfs/dbraw/zinc/10/30/21/1041103021.db2.gz VMXBQDHDJWRSKK-ZHRRBRCNSA-N 1 3 338.470 4.445 20 0 EIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000538163080 1041106933 /nfs/dbraw/zinc/10/69/33/1041106933.db2.gz PVHRFOXCJHKESP-ZBFHGGJFSA-N 1 3 344.421 4.153 20 0 EIADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000540172345 1041217782 /nfs/dbraw/zinc/21/77/82/1041217782.db2.gz AHHVLYODOODIHU-KKUMJFAQSA-N 1 3 344.952 4.332 20 0 EIADHO C[C@H]1C[C@H]([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@@H](C)C1 ZINC000538297608 1041247835 /nfs/dbraw/zinc/24/78/35/1041247835.db2.gz WWTGKOCALYLKSG-DOADOZAASA-N 1 3 342.527 4.389 20 0 EIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000484470335 1041247791 /nfs/dbraw/zinc/24/77/91/1041247791.db2.gz RZTYJGSHOKXDLL-CWRNSKLLSA-N 1 3 344.421 4.151 20 0 EIADHO Cc1cccc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463072629 1041318472 /nfs/dbraw/zinc/31/84/72/1041318472.db2.gz RAKDZKVTZMFKDX-PZJWPPBQSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1cccc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463072629 1041318489 /nfs/dbraw/zinc/31/84/89/1041318489.db2.gz RAKDZKVTZMFKDX-PZJWPPBQSA-N 1 3 338.495 4.017 20 0 EIADHO C[NH+](C)CCCOc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000480473066 1041327499 /nfs/dbraw/zinc/32/74/99/1041327499.db2.gz RIWQPKUGWZGUNJ-UHFFFAOYSA-N 1 3 338.495 4.184 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261239 1041329763 /nfs/dbraw/zinc/32/97/63/1041329763.db2.gz XIANTHRQDXOUMZ-YOEHRIQHSA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261239 1041329775 /nfs/dbraw/zinc/32/97/75/1041329775.db2.gz XIANTHRQDXOUMZ-YOEHRIQHSA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261239 1041329789 /nfs/dbraw/zinc/32/97/89/1041329789.db2.gz XIANTHRQDXOUMZ-YOEHRIQHSA-N 1 3 328.422 4.334 20 0 EIADHO Cc1cccc([C@@H]([NH2+]C[C@@H]2CCCN(C)C2)c2cccc(F)c2)c1 ZINC000554725210 1041352010 /nfs/dbraw/zinc/35/20/10/1041352010.db2.gz PPYKYJGZXBXLJN-LAUBAEHRSA-N 1 3 326.459 4.155 20 0 EIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OC(F)(F)F)cc1 ZINC000484879270 1041477964 /nfs/dbraw/zinc/47/79/64/1041477964.db2.gz DTGDTFRKOHCGLF-ZFWWWQNUSA-N 1 3 330.394 4.110 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000538721709 1041493272 /nfs/dbraw/zinc/49/32/72/1041493272.db2.gz YWYFATFWPYQESG-KRWDZBQOSA-N 1 3 346.563 4.184 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000538721709 1041493280 /nfs/dbraw/zinc/49/32/80/1041493280.db2.gz YWYFATFWPYQESG-KRWDZBQOSA-N 1 3 346.563 4.184 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000480732577 1041496701 /nfs/dbraw/zinc/49/67/01/1041496701.db2.gz SOZSITHMHXIRFA-WJMWBRGCSA-N 1 3 336.564 4.213 20 0 EIADHO CC(C)(C)[C@@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2C(C)(C)C)COC1 ZINC000541071931 1041797579 /nfs/dbraw/zinc/79/75/79/1041797579.db2.gz RDLDVISRDQIQPI-ROUUACIJSA-N 1 3 336.564 4.024 20 0 EIADHO CC(C)(C)[C@@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2C(C)(C)C)COC1 ZINC000541071931 1041797586 /nfs/dbraw/zinc/79/75/86/1041797586.db2.gz RDLDVISRDQIQPI-ROUUACIJSA-N 1 3 336.564 4.024 20 0 EIADHO C[C@@H]([NH2+]CCCCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000437784861 1041909118 /nfs/dbraw/zinc/90/91/18/1041909118.db2.gz KZZOXKLAYQHDDO-UXHICEINSA-N 1 3 344.543 4.478 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425940904 1042017608 /nfs/dbraw/zinc/01/76/08/1042017608.db2.gz IMTSLCUOQVCUBP-STQMWFEESA-N 1 3 335.492 4.106 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)CN(C)C ZINC000425945562 1042045282 /nfs/dbraw/zinc/04/52/82/1042045282.db2.gz RHVBOGOIZNXPCT-UKPHBRMFSA-N 1 3 328.422 4.129 20 0 EIADHO c1ccc(OCCCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438121445 1042061811 /nfs/dbraw/zinc/06/18/11/1042061811.db2.gz PKEDYNLRPXFFJI-UGKGYDQZSA-N 1 3 342.527 4.184 20 0 EIADHO c1ccc(OCCCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438121445 1042061822 /nfs/dbraw/zinc/06/18/22/1042061822.db2.gz PKEDYNLRPXFFJI-UGKGYDQZSA-N 1 3 342.527 4.184 20 0 EIADHO C[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)CN(C)C ZINC000425955488 1042079301 /nfs/dbraw/zinc/07/93/01/1042079301.db2.gz ZYPGDKRCFKQRHJ-CJNGLKHVSA-N 1 3 347.503 4.114 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000426063893 1042246558 /nfs/dbraw/zinc/24/65/58/1042246558.db2.gz VTFZVTSWWVFMGN-UIAACRFSSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+]1C ZINC000426063893 1042246563 /nfs/dbraw/zinc/24/65/63/1042246563.db2.gz VTFZVTSWWVFMGN-UIAACRFSSA-N 1 3 343.902 4.091 20 0 EIADHO Fc1cccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000518791980 1042695965 /nfs/dbraw/zinc/69/59/65/1042695965.db2.gz OFLXWKWRHJODET-UHFFFAOYSA-N 1 3 346.877 4.481 20 0 EIADHO Fc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000309682201 1042818973 /nfs/dbraw/zinc/81/89/73/1042818973.db2.gz BESKXQBWUIXEOG-INIZCTEOSA-N 1 3 332.850 4.091 20 0 EIADHO CCc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309707875 1042818981 /nfs/dbraw/zinc/81/89/81/1042818981.db2.gz IMPNKUCFLQEITC-AEFFLSMTSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707875 1042818983 /nfs/dbraw/zinc/81/89/83/1042818983.db2.gz IMPNKUCFLQEITC-AEFFLSMTSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707875 1042818984 /nfs/dbraw/zinc/81/89/84/1042818984.db2.gz IMPNKUCFLQEITC-AEFFLSMTSA-N 1 3 328.525 4.311 20 0 EIADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000310322396 1042834178 /nfs/dbraw/zinc/83/41/78/1042834178.db2.gz FZZNQZVZCSCTJT-SFHVURJKSA-N 1 3 338.495 4.401 20 0 EIADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168448843 1042859947 /nfs/dbraw/zinc/85/99/47/1042859947.db2.gz QGSQIIBYUBMARV-JOCHJYFZSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168448843 1042859950 /nfs/dbraw/zinc/85/99/50/1042859950.db2.gz QGSQIIBYUBMARV-JOCHJYFZSA-N 1 3 344.518 4.412 20 0 EIADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCCC2 ZINC000766187435 1043156666 /nfs/dbraw/zinc/15/66/66/1043156666.db2.gz MMJBVNQTENXNJV-VQTJNVASSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cccnc2c1 ZINC000674067645 1043386816 /nfs/dbraw/zinc/38/68/16/1043386816.db2.gz MRFXEFYUGRPDEB-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cccnc2c1 ZINC000674067645 1043386828 /nfs/dbraw/zinc/38/68/28/1043386828.db2.gz MRFXEFYUGRPDEB-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO COCCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000521477539 1043785709 /nfs/dbraw/zinc/78/57/09/1043785709.db2.gz RLFSCTLNDBHCCU-BHIFYINESA-N 1 3 344.543 4.084 20 0 EIADHO Cc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cs1 ZINC000658164607 1043935025 /nfs/dbraw/zinc/93/50/25/1043935025.db2.gz NYFZWSNHAJTQDX-MRXNPFEDSA-N 1 3 329.513 4.014 20 0 EIADHO CC(C)C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195132343 1044024867 /nfs/dbraw/zinc/02/48/67/1044024867.db2.gz ADCNEPBONVTYFK-RBBKRZOGSA-N 1 3 337.511 4.281 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319484 1044305700 /nfs/dbraw/zinc/30/57/00/1044305700.db2.gz CHDFHURGPJGCHJ-NQIIRXRSSA-N 1 3 335.495 4.035 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000474079416 1044358389 /nfs/dbraw/zinc/35/83/89/1044358389.db2.gz IXISZHDEECMEMO-ZMSDIMECSA-N 1 3 328.491 4.443 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1 ZINC000348008057 1044361079 /nfs/dbraw/zinc/36/10/79/1044361079.db2.gz OESZMOOTNXPZQK-UZLBHIALSA-N 1 3 342.531 4.198 20 0 EIADHO CC[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)s1 ZINC000675880107 1044552335 /nfs/dbraw/zinc/55/23/35/1044552335.db2.gz BFKIJGVEYVYTMH-HUUCEWRRSA-N 1 3 342.936 4.086 20 0 EIADHO C[C@H](CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1)N1CCCCC1 ZINC000494976015 1044556936 /nfs/dbraw/zinc/55/69/36/1044556936.db2.gz OGVBHQSADHXCLF-DBXWQHBBSA-N 1 3 348.506 4.148 20 0 EIADHO C(=C/c1ccncc1)\CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000494995294 1044583949 /nfs/dbraw/zinc/58/39/49/1044583949.db2.gz MCYNXSLYNLJONX-QPJJXVBHSA-N 1 3 347.506 4.083 20 0 EIADHO C(=C/c1ccncc1)\CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000494995294 1044583969 /nfs/dbraw/zinc/58/39/69/1044583969.db2.gz MCYNXSLYNLJONX-QPJJXVBHSA-N 1 3 347.506 4.083 20 0 EIADHO C[C@@H]1CC(NCCOC2CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024252 1044607306 /nfs/dbraw/zinc/60/73/06/1044607306.db2.gz CVCIEVNMCLJBMT-RTBURBONSA-N 1 3 344.543 4.367 20 0 EIADHO Cc1ccccc1OCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000543461465 1044651906 /nfs/dbraw/zinc/65/19/06/1044651906.db2.gz GYLWTVOGIWUTRG-RTBURBONSA-N 1 3 330.516 4.007 20 0 EIADHO Clc1cccc2c1SCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000360434018 1044714529 /nfs/dbraw/zinc/71/45/29/1044714529.db2.gz REBJESFCTWZBRT-KRWDZBQOSA-N 1 3 336.932 4.341 20 0 EIADHO c1ccc(CC[NH+]2CCC(NCCSc3ccccc3)CC2)cc1 ZINC000236739614 1045365343 /nfs/dbraw/zinc/36/53/43/1045365343.db2.gz DOZSRPXRGNDKEE-UHFFFAOYSA-N 1 3 340.536 4.075 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccsc1Br ZINC000388884138 1045477770 /nfs/dbraw/zinc/47/77/70/1045477770.db2.gz JTJIJVJEGNZKCV-GFCCVEGCSA-N 1 3 333.339 4.111 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000769544473 1046016160 /nfs/dbraw/zinc/01/61/60/1046016160.db2.gz XGZDMEIYABLGKF-GOSISDBHSA-N 1 3 342.527 4.193 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000769544473 1046016182 /nfs/dbraw/zinc/01/61/82/1046016182.db2.gz XGZDMEIYABLGKF-GOSISDBHSA-N 1 3 342.527 4.193 20 0 EIADHO CCCN1CCC([NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000161593869 1046020229 /nfs/dbraw/zinc/02/02/29/1046020229.db2.gz GGSKSUSHTSLBMJ-CQSZACIVSA-N 1 3 326.431 4.121 20 0 EIADHO Cc1cc(C[NH2+]C2CC(N3CCCCC3)C2)cc(C)c1OC(F)F ZINC000793338338 1046210853 /nfs/dbraw/zinc/21/08/53/1046210853.db2.gz WJZXNOOKFJBCPX-UHFFFAOYSA-N 1 3 338.442 4.011 20 0 EIADHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000508698033 1046329428 /nfs/dbraw/zinc/32/94/28/1046329428.db2.gz KSTQEXQRXZCKPL-RXVVDRJESA-N 1 3 338.495 4.004 20 0 EIADHO C[C@H]([NH2+]CCc1cc2ccccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508701212 1046334001 /nfs/dbraw/zinc/33/40/01/1046334001.db2.gz SHLPOKPKYKPLSH-RXVVDRJESA-N 1 3 348.490 4.476 20 0 EIADHO C[C@@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508701215 1046334056 /nfs/dbraw/zinc/33/40/56/1046334056.db2.gz SHLPOKPKYKPLSH-WIYYLYMNSA-N 1 3 348.490 4.476 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000162588722 1046367670 /nfs/dbraw/zinc/36/76/70/1046367670.db2.gz RHCPNDSSZKGVDI-FQEVSTJZSA-N 1 3 344.886 4.058 20 0 EIADHO CCC(CC)(C[NH2+]C1CCN(C2CC2)CC1)N[C@H](C)c1ccccc1 ZINC000459451212 1046681284 /nfs/dbraw/zinc/68/12/84/1046681284.db2.gz WYFFYGRJKUJCMV-GOSISDBHSA-N 1 3 343.559 4.112 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3F)CC[N@@H+]1Cc1ccccc1 ZINC000379655812 1046759288 /nfs/dbraw/zinc/75/92/88/1046759288.db2.gz NEORSYVVVRCJQZ-NRJQMVOHSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3F)CC[N@H+]1Cc1ccccc1 ZINC000379655812 1046759293 /nfs/dbraw/zinc/75/92/93/1046759293.db2.gz NEORSYVVVRCJQZ-NRJQMVOHSA-N 1 3 338.470 4.456 20 0 EIADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)[C@H](C)C1 ZINC000536853817 1046819404 /nfs/dbraw/zinc/81/94/04/1046819404.db2.gz VKXIFJNBZJUDMT-WIYYLYMNSA-N 1 3 338.495 4.086 20 0 EIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536860657 1046828629 /nfs/dbraw/zinc/82/86/29/1046828629.db2.gz ZWJDLMMTJZEWTK-JZXOWHBKSA-N 1 3 344.499 4.281 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806134322 1047133059 /nfs/dbraw/zinc/13/30/59/1047133059.db2.gz JMDSWACYQSNAKM-GOSISDBHSA-N 1 3 343.902 4.352 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806134322 1047133063 /nfs/dbraw/zinc/13/30/63/1047133063.db2.gz JMDSWACYQSNAKM-GOSISDBHSA-N 1 3 343.902 4.352 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2ccc(SC(F)F)cc2)CC1 ZINC000789559653 1047442684 /nfs/dbraw/zinc/44/26/84/1047442684.db2.gz SXPBLLLGJARCJL-UHFFFAOYSA-N 1 3 326.456 4.062 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119578 1047472594 /nfs/dbraw/zinc/47/25/94/1047472594.db2.gz AMKZVECWNUIPEJ-ZIFCJYIRSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccncc1F ZINC000556119578 1047472603 /nfs/dbraw/zinc/47/26/03/1047472603.db2.gz AMKZVECWNUIPEJ-ZIFCJYIRSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129803743 1047510395 /nfs/dbraw/zinc/51/03/95/1047510395.db2.gz OOAHYCYVKPMSAQ-HZSPNIEDSA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129803743 1047510405 /nfs/dbraw/zinc/51/04/05/1047510405.db2.gz OOAHYCYVKPMSAQ-HZSPNIEDSA-N 1 3 327.299 4.141 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)cc1CN1CCCCC1 ZINC000790494930 1047599608 /nfs/dbraw/zinc/59/96/08/1047599608.db2.gz HHQPFBAWSPKIGF-DLBZAZTESA-N 1 3 348.556 4.085 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857800 1048067489 /nfs/dbraw/zinc/06/74/89/1048067489.db2.gz HMYRKBIAFRQBKG-DYVFJYSZSA-N 1 3 342.405 4.110 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857800 1048067508 /nfs/dbraw/zinc/06/75/08/1048067508.db2.gz HMYRKBIAFRQBKG-DYVFJYSZSA-N 1 3 342.405 4.110 20 0 EIADHO Clc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171109596 1048219095 /nfs/dbraw/zinc/21/90/95/1048219095.db2.gz KODATQUUEZLYDJ-NRFANRHFSA-N 1 3 346.946 4.442 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415866 1048651239 /nfs/dbraw/zinc/65/12/39/1048651239.db2.gz OQBDGSFXXMHGPJ-JKSUJKDBSA-N 1 3 346.906 4.055 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415866 1048651245 /nfs/dbraw/zinc/65/12/45/1048651245.db2.gz OQBDGSFXXMHGPJ-JKSUJKDBSA-N 1 3 346.906 4.055 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415866 1048651253 /nfs/dbraw/zinc/65/12/53/1048651253.db2.gz OQBDGSFXXMHGPJ-JKSUJKDBSA-N 1 3 346.906 4.055 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2nc(Cl)ccc12 ZINC001144415866 1048651259 /nfs/dbraw/zinc/65/12/59/1048651259.db2.gz OQBDGSFXXMHGPJ-JKSUJKDBSA-N 1 3 346.906 4.055 20 0 EIADHO Cc1cc2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)oc2cc1C ZINC000237609297 1048968941 /nfs/dbraw/zinc/96/89/41/1048968941.db2.gz ZBQHAZJUHAPWKJ-HDICACEKSA-N 1 3 344.499 4.029 20 0 EIADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001170907761 1049172235 /nfs/dbraw/zinc/17/22/35/1049172235.db2.gz LJNNHKRRSJNSNK-KRWDZBQOSA-N 1 3 332.919 4.194 20 0 EIADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC001170907762 1049174782 /nfs/dbraw/zinc/17/47/82/1049174782.db2.gz LJNNHKRRSJNSNK-QGZVFWFLSA-N 1 3 332.919 4.194 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171439394 1049691756 /nfs/dbraw/zinc/69/17/56/1049691756.db2.gz YKEDZPQBCRVPBI-FHWLQOOXSA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171439394 1049691767 /nfs/dbraw/zinc/69/17/67/1049691767.db2.gz YKEDZPQBCRVPBI-FHWLQOOXSA-N 1 3 330.491 4.022 20 0 EIADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)CC2 ZINC001170978748 1049736484 /nfs/dbraw/zinc/73/64/84/1049736484.db2.gz ZSNGQTJUJGMKNR-PXNSSMCTSA-N 1 3 342.502 4.093 20 0 EIADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)CC2 ZINC001170978748 1049736490 /nfs/dbraw/zinc/73/64/90/1049736490.db2.gz ZSNGQTJUJGMKNR-PXNSSMCTSA-N 1 3 342.502 4.093 20 0 EIADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)CC2 ZINC001170978749 1049737163 /nfs/dbraw/zinc/73/71/63/1049737163.db2.gz ZSNGQTJUJGMKNR-XLIONFOSSA-N 1 3 342.502 4.093 20 0 EIADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)CC2 ZINC001170978749 1049737174 /nfs/dbraw/zinc/73/71/74/1049737174.db2.gz ZSNGQTJUJGMKNR-XLIONFOSSA-N 1 3 342.502 4.093 20 0 EIADHO CN1C(C)(C)CC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1(C)C ZINC001171623095 1049768063 /nfs/dbraw/zinc/76/80/63/1049768063.db2.gz KFAFCMPYMFNSHM-UHFFFAOYSA-N 1 3 342.449 4.489 20 0 EIADHO C[NH+]1C(C)(C)CC(NCCc2ccc(F)cc2Cl)CC1(C)C ZINC001171625088 1049768303 /nfs/dbraw/zinc/76/83/03/1049768303.db2.gz BIPRTEKXABYLCR-UHFFFAOYSA-N 1 3 326.887 4.263 20 0 EIADHO C[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC001171624497 1049768574 /nfs/dbraw/zinc/76/85/74/1049768574.db2.gz UIMTWDBCYZWYOL-DYVFJYSZSA-N 1 3 338.923 4.003 20 0 EIADHO C[NH+]1C(C)(C)CC(NCCc2cccc(Cl)c2F)CC1(C)C ZINC001171626791 1049769099 /nfs/dbraw/zinc/76/90/99/1049769099.db2.gz BHOGCFITAUYUAH-UHFFFAOYSA-N 1 3 326.887 4.263 20 0 EIADHO CC1(C)C[C@@H](Nc2cccc(F)c2CN)CC[N@@H+]1Cc1ccccc1 ZINC001171967704 1049827942 /nfs/dbraw/zinc/82/79/42/1049827942.db2.gz MWUVPQVTWSFRPQ-KRWDZBQOSA-N 1 3 341.474 4.140 20 0 EIADHO CC1(C)C[C@@H](Nc2cccc(F)c2CN)CC[N@H+]1Cc1ccccc1 ZINC001171967704 1049827947 /nfs/dbraw/zinc/82/79/47/1049827947.db2.gz MWUVPQVTWSFRPQ-KRWDZBQOSA-N 1 3 341.474 4.140 20 0 EIADHO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccc(O)c1 ZINC001171967891 1049828289 /nfs/dbraw/zinc/82/82/89/1049828289.db2.gz NXPATKNCGAOEEB-YLJYHZDGSA-N 1 3 338.495 4.486 20 0 EIADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC000813881273 1049830334 /nfs/dbraw/zinc/83/03/34/1049830334.db2.gz NELUWNOIFSTXJW-LBFURVHYSA-N 1 3 335.495 4.318 20 0 EIADHO CC1(C)C[C@H](N2CCc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171977017 1049837956 /nfs/dbraw/zinc/83/79/56/1049837956.db2.gz PUTJUBCSXMGDRT-JOCHJYFZSA-N 1 3 334.507 4.488 20 0 EIADHO CC1(C)C[C@H](N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171977017 1049837957 /nfs/dbraw/zinc/83/79/57/1049837957.db2.gz PUTJUBCSXMGDRT-JOCHJYFZSA-N 1 3 334.507 4.488 20 0 EIADHO Oc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172063326 1049849768 /nfs/dbraw/zinc/84/97/68/1049849768.db2.gz YAQXKGLSUKHFPH-WKCHPHFGSA-N 1 3 336.479 4.068 20 0 EIADHO C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001172062338 1049849915 /nfs/dbraw/zinc/84/99/15/1049849915.db2.gz NELUWNOIFSTXJW-WJMWBRGCSA-N 1 3 335.495 4.318 20 0 EIADHO Cc1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)s1 ZINC001172067849 1049851115 /nfs/dbraw/zinc/85/11/15/1049851115.db2.gz OEVCUOHGJHPKPO-LDLYASANSA-N 1 3 341.524 4.127 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001172127733 1049852506 /nfs/dbraw/zinc/85/25/06/1049852506.db2.gz LFFHMQPUOPSZTD-VUHPKUFZSA-N 1 3 338.499 4.039 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001172127733 1049852509 /nfs/dbraw/zinc/85/25/09/1049852509.db2.gz LFFHMQPUOPSZTD-VUHPKUFZSA-N 1 3 338.499 4.039 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001172127729 1049852949 /nfs/dbraw/zinc/85/29/49/1049852949.db2.gz LFFHMQPUOPSZTD-FAJBIJEISA-N 1 3 338.499 4.039 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3ccccc3nc1[C@@H]1CCCCN1)C2 ZINC001172127729 1049852952 /nfs/dbraw/zinc/85/29/52/1049852952.db2.gz LFFHMQPUOPSZTD-FAJBIJEISA-N 1 3 338.499 4.039 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172102628 1049855575 /nfs/dbraw/zinc/85/55/75/1049855575.db2.gz NRERYFLMFYSSFN-BTTYYORXSA-N 1 3 346.824 4.464 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172102629 1049856065 /nfs/dbraw/zinc/85/60/65/1049856065.db2.gz NRERYFLMFYSSFN-ZSOGYDGISA-N 1 3 346.824 4.464 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1C(F)(F)F ZINC001172109209 1049856856 /nfs/dbraw/zinc/85/68/56/1049856856.db2.gz IFDAJTRZXYREGR-XQLPTFJDSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1C(F)(F)F ZINC001172109209 1049856860 /nfs/dbraw/zinc/85/68/60/1049856860.db2.gz IFDAJTRZXYREGR-XQLPTFJDSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(OC(F)(F)F)cc1 ZINC001172109703 1049857238 /nfs/dbraw/zinc/85/72/38/1049857238.db2.gz KCNMBNHREVBOBU-DMRZNYOFSA-N 1 3 342.405 4.251 20 0 EIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(OC(F)(F)F)cc1 ZINC001172109703 1049857243 /nfs/dbraw/zinc/85/72/43/1049857243.db2.gz KCNMBNHREVBOBU-DMRZNYOFSA-N 1 3 342.405 4.251 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(c3ccc(F)cc3F)CC1)C2 ZINC001172129479 1049857985 /nfs/dbraw/zinc/85/79/85/1049857985.db2.gz AWGCJPVHDUXAMC-BCDXTJNWSA-N 1 3 334.454 4.160 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(c3ccc(F)cc3F)CC1)C2 ZINC001172129479 1049857986 /nfs/dbraw/zinc/85/79/86/1049857986.db2.gz AWGCJPVHDUXAMC-BCDXTJNWSA-N 1 3 334.454 4.160 20 0 EIADHO CCOCC[C@@H](C)N1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172427495 1049901508 /nfs/dbraw/zinc/90/15/08/1049901508.db2.gz OXTMPMIBXBNNMO-MRXNPFEDSA-N 1 3 338.923 4.051 20 0 EIADHO CCOCC[C@@H](C)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172427495 1049901515 /nfs/dbraw/zinc/90/15/15/1049901515.db2.gz OXTMPMIBXBNNMO-MRXNPFEDSA-N 1 3 338.923 4.051 20 0 EIADHO [NH3+][C@H]1CCN(Cc2ccc3ccc(-c4ccccc4)nc3c2)CC[C@H]1F ZINC001206164551 1049918269 /nfs/dbraw/zinc/91/82/69/1049918269.db2.gz KJNRYCBRSYEWMW-UXHICEINSA-N 1 3 349.453 4.163 20 0 EIADHO CCCCCC[C@@H](CCCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172516706 1049927872 /nfs/dbraw/zinc/92/78/72/1049927872.db2.gz LCWKPDWTJDWGAY-HXUWFJFHSA-N 1 3 325.585 4.131 20 0 EIADHO NC1(Cc2cccnc2)CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172541830 1049944414 /nfs/dbraw/zinc/94/44/14/1049944414.db2.gz BXDWOHJGLASCHU-YADHBBJMSA-N 1 3 349.522 4.144 20 0 EIADHO COc1cccc(C2([NH3+])CCN(C3CCC4(CCCC4)CC3)CC2)c1 ZINC001172728374 1049968183 /nfs/dbraw/zinc/96/81/83/1049968183.db2.gz HXZJNDRFOHQRRF-UHFFFAOYSA-N 1 3 342.527 4.448 20 0 EIADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172729938 1049968970 /nfs/dbraw/zinc/96/89/70/1049968970.db2.gz OHGNATILXHKHMS-FQEVSTJZSA-N 1 3 334.548 4.065 20 0 EIADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172729938 1049968971 /nfs/dbraw/zinc/96/89/71/1049968971.db2.gz OHGNATILXHKHMS-FQEVSTJZSA-N 1 3 334.548 4.065 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000246968517 1050007403 /nfs/dbraw/zinc/00/74/03/1050007403.db2.gz JGIVLSNKGKSIEI-ULQDDVLXSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000246968517 1050007408 /nfs/dbraw/zinc/00/74/08/1050007408.db2.gz JGIVLSNKGKSIEI-ULQDDVLXSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000246968517 1050007411 /nfs/dbraw/zinc/00/74/11/1050007411.db2.gz JGIVLSNKGKSIEI-ULQDDVLXSA-N 1 3 345.556 4.498 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(SCC(F)(F)F)cc2)C1 ZINC000247114684 1050013045 /nfs/dbraw/zinc/01/30/45/1050013045.db2.gz QVDKKCRJVVTASO-ZIAGYGMSSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(O)c1 ZINC000249380537 1050097211 /nfs/dbraw/zinc/09/72/11/1050097211.db2.gz BECWMRSHCLBGMU-QZTJIDSGSA-N 1 3 338.495 4.475 20 0 EIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(O)c1 ZINC000249380537 1050097217 /nfs/dbraw/zinc/09/72/17/1050097217.db2.gz BECWMRSHCLBGMU-QZTJIDSGSA-N 1 3 338.495 4.475 20 0 EIADHO Fc1ccc(/C=C/CNCCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC001177245028 1050172899 /nfs/dbraw/zinc/17/28/99/1050172899.db2.gz KROOOTLWXJDBBK-XVNBXDOJSA-N 1 3 342.433 4.016 20 0 EIADHO Fc1ccc(/C=C/CNCCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC001177245028 1050172902 /nfs/dbraw/zinc/17/29/02/1050172902.db2.gz KROOOTLWXJDBBK-XVNBXDOJSA-N 1 3 342.433 4.016 20 0 EIADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)CC2 ZINC001172840133 1050180307 /nfs/dbraw/zinc/18/03/07/1050180307.db2.gz ZRTDEOJAJVJMON-AUSIDOKSSA-N 1 3 338.539 4.263 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC001172883861 1050224747 /nfs/dbraw/zinc/22/47/47/1050224747.db2.gz UYMZMBSYVAXANW-CQSZACIVSA-N 1 3 338.948 4.427 20 0 EIADHO Cc1cc(C[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cnc1Cl ZINC001177963303 1050332355 /nfs/dbraw/zinc/33/23/55/1050332355.db2.gz ZUWIWGJWDCZTJE-INIZCTEOSA-N 1 3 331.891 4.044 20 0 EIADHO CCSC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001173306100 1050404530 /nfs/dbraw/zinc/40/45/30/1050404530.db2.gz LLOWNZHHAGHMCY-TTYHFUOFSA-N 1 3 332.557 4.239 20 0 EIADHO CCSC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001173306100 1050404532 /nfs/dbraw/zinc/40/45/32/1050404532.db2.gz LLOWNZHHAGHMCY-TTYHFUOFSA-N 1 3 332.557 4.239 20 0 EIADHO C(C1CCOCC1)N1CCC([NH2+][C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344449 1050434949 /nfs/dbraw/zinc/43/49/49/1050434949.db2.gz MKXUNBZOMWGTRW-NRFANRHFSA-N 1 3 348.575 4.360 20 0 EIADHO C(C1CCOCC1)N1CCC([NH2+][C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344453 1050435108 /nfs/dbraw/zinc/43/51/08/1050435108.db2.gz MKXUNBZOMWGTRW-OAQYLSRUSA-N 1 3 348.575 4.360 20 0 EIADHO C[C@H]1C[C@@H](N(C)Cc2cccc3c[nH]nc32)CC[N@@H+]1Cc1ccccc1 ZINC000093318226 1050560773 /nfs/dbraw/zinc/56/07/73/1050560773.db2.gz HDEIUPFRWFGURN-UWJYYQICSA-N 1 3 348.494 4.048 20 0 EIADHO C[C@H]1C[C@@H](N(C)Cc2cccc3c[nH]nc32)CC[N@H+]1Cc1ccccc1 ZINC000093318226 1050560780 /nfs/dbraw/zinc/56/07/80/1050560780.db2.gz HDEIUPFRWFGURN-UWJYYQICSA-N 1 3 348.494 4.048 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639123 1050647409 /nfs/dbraw/zinc/64/74/09/1050647409.db2.gz VBTAQFGTOSWVRH-CJNGLKHVSA-N 1 3 335.542 4.034 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)[C@H](C)C1 ZINC000093639123 1050647414 /nfs/dbraw/zinc/64/74/14/1050647414.db2.gz VBTAQFGTOSWVRH-CJNGLKHVSA-N 1 3 335.542 4.034 20 0 EIADHO COc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC001179205094 1050649127 /nfs/dbraw/zinc/64/91/27/1050649127.db2.gz JHIUIRRSTJJVLO-DYESRHJHSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC001179205094 1050649138 /nfs/dbraw/zinc/64/91/38/1050649138.db2.gz JHIUIRRSTJJVLO-DYESRHJHSA-N 1 3 338.495 4.146 20 0 EIADHO CCCCCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC001179816797 1050786062 /nfs/dbraw/zinc/78/60/62/1050786062.db2.gz NTXGFHPXNHPHEP-SESVDKBCSA-N 1 3 330.516 4.076 20 0 EIADHO CC[NH+]1CCC(CN(Cc2ccco2)Cc2cccc(C)c2)CC1 ZINC001179942047 1050825963 /nfs/dbraw/zinc/82/59/63/1050825963.db2.gz KZQAUCSQGFTXOY-UHFFFAOYSA-N 1 3 326.484 4.322 20 0 EIADHO Cc1ccc(-c2ncc(CN(C)CC3CC[NH+](C)CC3)s2)cc1C ZINC001180001581 1050844044 /nfs/dbraw/zinc/84/40/44/1050844044.db2.gz ARCBGUSGNHIZRR-UHFFFAOYSA-N 1 3 343.540 4.201 20 0 EIADHO Cc1cc(C)cc(CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001180267396 1050940595 /nfs/dbraw/zinc/94/05/95/1050940595.db2.gz VMXUOQCPDWMLPG-HSZRJFAPSA-N 1 3 336.523 4.300 20 0 EIADHO Cc1cc(C)cc(CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001180267396 1050940606 /nfs/dbraw/zinc/94/06/06/1050940606.db2.gz VMXUOQCPDWMLPG-HSZRJFAPSA-N 1 3 336.523 4.300 20 0 EIADHO CC(C)CC[NH+]1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC001180332216 1050971505 /nfs/dbraw/zinc/97/15/05/1050971505.db2.gz OQEWAZWBSAGEOB-LJQANCHMSA-N 1 3 349.950 4.019 20 0 EIADHO CC(C)CCN1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC001180332216 1050971521 /nfs/dbraw/zinc/97/15/21/1050971521.db2.gz OQEWAZWBSAGEOB-LJQANCHMSA-N 1 3 349.950 4.019 20 0 EIADHO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)C ZINC000775394335 1051208999 /nfs/dbraw/zinc/20/89/99/1051208999.db2.gz QJHFFJAVBCQKMM-XLIONFOSSA-N 1 3 348.531 4.003 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCSC2)ccc1OC ZINC000775397547 1051218756 /nfs/dbraw/zinc/21/87/56/1051218756.db2.gz WDDAHFHITGUISV-MAUKXSAKSA-N 1 3 336.545 4.083 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@H]2CC=CCC2)cc1CN1CCCCC1 ZINC000775412109 1051275349 /nfs/dbraw/zinc/27/53/49/1051275349.db2.gz RXHHUVYEUOGOEK-XLIONFOSSA-N 1 3 328.500 4.440 20 0 EIADHO Cc1ccc(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181698600 1051290641 /nfs/dbraw/zinc/29/06/41/1051290641.db2.gz SYIQSSFCRDRLBB-XMMPIXPASA-N 1 3 348.534 4.444 20 0 EIADHO Cc1ccc(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181698600 1051290651 /nfs/dbraw/zinc/29/06/51/1051290651.db2.gz SYIQSSFCRDRLBB-XMMPIXPASA-N 1 3 348.534 4.444 20 0 EIADHO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1)[C@@H]1CCCO1 ZINC000775417836 1051292381 /nfs/dbraw/zinc/29/23/81/1051292381.db2.gz XNBJVSHTZQJSQQ-PBEJRMEISA-N 1 3 348.531 4.145 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc2cc(OC)ccc2c1 ZINC000163255882 1051558611 /nfs/dbraw/zinc/55/86/11/1051558611.db2.gz FLZBKIBHOAJHLJ-IERDGZPVSA-N 1 3 326.484 4.231 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158218616 1051726530 /nfs/dbraw/zinc/72/65/30/1051726530.db2.gz GATLDIWAESYHMD-HOCLYGCPSA-N 1 3 329.513 4.111 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158218616 1051726539 /nfs/dbraw/zinc/72/65/39/1051726539.db2.gz GATLDIWAESYHMD-HOCLYGCPSA-N 1 3 329.513 4.111 20 0 EIADHO C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001184386271 1052002421 /nfs/dbraw/zinc/00/24/21/1052002421.db2.gz AMWFWTLGJPVKGC-LMDOGRNLSA-N 1 3 334.507 4.214 20 0 EIADHO CC(C)[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1cccnc1 ZINC000164121578 1052017871 /nfs/dbraw/zinc/01/78/71/1052017871.db2.gz NQBUZTMWVUAEOX-NRFANRHFSA-N 1 3 329.532 4.208 20 0 EIADHO COc1cccc([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000177261049 1052675807 /nfs/dbraw/zinc/67/58/07/1052675807.db2.gz WVWDXDOQYXKCGX-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO COc1cccc([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000177261049 1052675811 /nfs/dbraw/zinc/67/58/11/1052675811.db2.gz WVWDXDOQYXKCGX-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1N(C)C ZINC000179399621 1052734617 /nfs/dbraw/zinc/73/46/17/1052734617.db2.gz NHASPOSUASBDBU-SFHVURJKSA-N 1 3 337.511 4.199 20 0 EIADHO COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCCCN(C)C3)ccc2c1 ZINC000624120024 1052867817 /nfs/dbraw/zinc/86/78/17/1052867817.db2.gz PROHRKJMUXKSMJ-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO Cn1cc(CN2CCC(CCC[NH+](C)C)CC2)c(C2CCCCC2)n1 ZINC000183100270 1052963325 /nfs/dbraw/zinc/96/33/25/1052963325.db2.gz SSIJOHFXHCOGFB-UHFFFAOYSA-N 1 3 346.563 4.022 20 0 EIADHO CCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381131097 1053054787 /nfs/dbraw/zinc/05/47/87/1053054787.db2.gz KHCIPDQMARXAJU-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO CCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381131097 1053054792 /nfs/dbraw/zinc/05/47/92/1053054792.db2.gz KHCIPDQMARXAJU-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000865830357 1053601521 /nfs/dbraw/zinc/60/15/21/1053601521.db2.gz MAVYYFBEUVWZIV-KSZLIROESA-N 1 3 336.907 4.023 20 0 EIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000865830357 1053601526 /nfs/dbraw/zinc/60/15/26/1053601526.db2.gz MAVYYFBEUVWZIV-KSZLIROESA-N 1 3 336.907 4.023 20 0 EIADHO C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386238404 1053644439 /nfs/dbraw/zinc/64/44/39/1053644439.db2.gz BOAPTJQWEWMOHV-FXAWDEMLSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000386686407 1053819991 /nfs/dbraw/zinc/81/99/91/1053819991.db2.gz ZCRDBFWRGGDAMF-DBXWQHBBSA-N 1 3 338.495 4.084 20 0 EIADHO CN(Cc1ccccc1)C[C@@H](C[NH+]1CCC(F)CC1)c1ccccc1 ZINC001197334866 1053887728 /nfs/dbraw/zinc/88/77/28/1053887728.db2.gz CSJOEXMKQJEXSH-NRFANRHFSA-N 1 3 340.486 4.336 20 0 EIADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026247 1054059974 /nfs/dbraw/zinc/05/99/74/1054059974.db2.gz BPFQQULXDYHFPO-HUUCEWRRSA-N 1 3 340.433 4.156 20 0 EIADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026247 1054059984 /nfs/dbraw/zinc/05/99/84/1054059984.db2.gz BPFQQULXDYHFPO-HUUCEWRRSA-N 1 3 340.433 4.156 20 0 EIADHO c1c2ccccc2oc1[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000873266071 1054518185 /nfs/dbraw/zinc/51/81/85/1054518185.db2.gz ZMHSEWJISSNBSE-TWSMVNEUSA-N 1 3 347.462 4.037 20 0 EIADHO CC[N@H+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000743873773 1059193829 /nfs/dbraw/zinc/19/38/29/1059193829.db2.gz VCRGOBKRBQMJMO-DLBZAZTESA-N 1 3 341.326 4.024 20 0 EIADHO CC[N@@H+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000743873773 1059193842 /nfs/dbraw/zinc/19/38/42/1059193842.db2.gz VCRGOBKRBQMJMO-DLBZAZTESA-N 1 3 341.326 4.024 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC001169099428 1060635578 /nfs/dbraw/zinc/63/55/78/1060635578.db2.gz RLAWXEYOWGXSOI-QKDCVEJESA-N 1 3 332.797 4.074 20 0 EIADHO CCC1(CNCc2ccc(F)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000529542872 1032433487 /nfs/dbraw/zinc/43/34/87/1032433487.db2.gz MCNGUIYUZWVBHI-UHFFFAOYSA-N 1 3 341.474 4.003 20 0 EIADHO Clc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533077435 1032475891 /nfs/dbraw/zinc/47/58/91/1032475891.db2.gz BMXLLAHCDCNYPG-JXFKEZNVSA-N 1 3 348.918 4.058 20 0 EIADHO Clc1ccc(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533077435 1032475915 /nfs/dbraw/zinc/47/59/15/1032475915.db2.gz BMXLLAHCDCNYPG-JXFKEZNVSA-N 1 3 348.918 4.058 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000760169509 1032543004 /nfs/dbraw/zinc/54/30/04/1032543004.db2.gz FTABMJUJTZZBEF-LBPRGKRZSA-N 1 3 344.330 4.491 20 0 EIADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547268 1018924458 /nfs/dbraw/zinc/92/44/58/1018924458.db2.gz BXMNXXKFJCXENZ-IRXDYDNUSA-N 1 3 339.527 4.488 20 0 EIADHO c1ccc(CSCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000535627064 1020013979 /nfs/dbraw/zinc/01/39/79/1020013979.db2.gz RPBWSOVUWQQMQL-PZJWPPBQSA-N 1 3 344.568 4.259 20 0 EIADHO c1ccc(CSCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000535627064 1020013990 /nfs/dbraw/zinc/01/39/90/1020013990.db2.gz RPBWSOVUWQQMQL-PZJWPPBQSA-N 1 3 344.568 4.259 20 0 EIADHO C[C@H](c1cccc(Br)c1)[N@H+](C)CCCN1CCCCC1 ZINC001209452987 1020362788 /nfs/dbraw/zinc/36/27/88/1020362788.db2.gz BHAOPFMVHLUCJN-OAHLLOKOSA-N 1 3 339.321 4.318 20 0 EIADHO C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CCCCC1 ZINC001209452987 1020362798 /nfs/dbraw/zinc/36/27/98/1020362798.db2.gz BHAOPFMVHLUCJN-OAHLLOKOSA-N 1 3 339.321 4.318 20 0 EIADHO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccncc1F ZINC000340478317 1021097943 /nfs/dbraw/zinc/09/79/43/1021097943.db2.gz IXEKSDIOGODYNL-CVEARBPZSA-N 1 3 327.447 4.097 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1nc(Br)cs1 ZINC000834487863 1021670813 /nfs/dbraw/zinc/67/08/13/1021670813.db2.gz PFHGUCBPLUQSGE-RYUDHWBXSA-N 1 3 348.354 4.067 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2C)c1 ZINC000414083592 1021822090 /nfs/dbraw/zinc/82/20/90/1021822090.db2.gz WIZMHSLHFNHTTI-KRWDZBQOSA-N 1 3 326.484 4.306 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)cc2C)c1 ZINC000414083592 1021822093 /nfs/dbraw/zinc/82/20/93/1021822093.db2.gz WIZMHSLHFNHTTI-KRWDZBQOSA-N 1 3 326.484 4.306 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC2 ZINC000398017875 1021898465 /nfs/dbraw/zinc/89/84/65/1021898465.db2.gz IIXQUYISKOXQAP-WZONZLPQSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)CCC2 ZINC000398017875 1021898474 /nfs/dbraw/zinc/89/84/74/1021898474.db2.gz IIXQUYISKOXQAP-WZONZLPQSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000089553665 1021930293 /nfs/dbraw/zinc/93/02/93/1021930293.db2.gz KRQVOGNXGQSGER-GJZGRUSLSA-N 1 3 329.513 4.191 20 0 EIADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184745 1022061417 /nfs/dbraw/zinc/06/14/17/1022061417.db2.gz OGHHKRXIAGNJHC-HZPDHXFCSA-N 1 3 329.513 4.193 20 0 EIADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184745 1022061429 /nfs/dbraw/zinc/06/14/29/1022061429.db2.gz OGHHKRXIAGNJHC-HZPDHXFCSA-N 1 3 329.513 4.193 20 0 EIADHO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000549032161 1022159152 /nfs/dbraw/zinc/15/91/52/1022159152.db2.gz LNPKMDUPMZZCSE-HOCLYGCPSA-N 1 3 328.422 4.075 20 0 EIADHO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000549032160 1022161104 /nfs/dbraw/zinc/16/11/04/1022161104.db2.gz LNPKMDUPMZZCSE-GOEBONIOSA-N 1 3 328.422 4.075 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000398097551 1022219277 /nfs/dbraw/zinc/21/92/77/1022219277.db2.gz KWUSLTALRXMGNE-UZLBHIALSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000398097551 1022219291 /nfs/dbraw/zinc/21/92/91/1022219291.db2.gz KWUSLTALRXMGNE-UZLBHIALSA-N 1 3 328.887 4.340 20 0 EIADHO COc1cccc([C@@H](C)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000310891196 1022681059 /nfs/dbraw/zinc/68/10/59/1022681059.db2.gz KPYVCGHXNWWOMP-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310891196 1022681064 /nfs/dbraw/zinc/68/10/64/1022681064.db2.gz KPYVCGHXNWWOMP-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000311058169 1022819383 /nfs/dbraw/zinc/81/93/83/1022819383.db2.gz WIHIIKPSQURYFO-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2cccc(OC3CCCC3)c2)CC1 ZINC000472636094 1023196130 /nfs/dbraw/zinc/19/61/30/1023196130.db2.gz HKOPSSLUSFHVRB-UHFFFAOYSA-N 1 3 328.500 4.068 20 0 EIADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(OC3CCCC3)c2)CC1 ZINC000472636094 1023196143 /nfs/dbraw/zinc/19/61/43/1023196143.db2.gz HKOPSSLUSFHVRB-UHFFFAOYSA-N 1 3 328.500 4.068 20 0 EIADHO CN1CCC2(CCC[N@H+]2Cc2cccc(OC3CCCC3)c2)CC1 ZINC000472636094 1023196153 /nfs/dbraw/zinc/19/61/53/1023196153.db2.gz HKOPSSLUSFHVRB-UHFFFAOYSA-N 1 3 328.500 4.068 20 0 EIADHO [NH3+]CCC[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000415060282 1023410984 /nfs/dbraw/zinc/41/09/84/1023410984.db2.gz WEEJOQAXHZUWRU-QGZVFWFLSA-N 1 3 340.364 4.414 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)s1 ZINC000656684942 1023439201 /nfs/dbraw/zinc/43/92/01/1023439201.db2.gz ZANPIYMCSDORHJ-AWEZNQCLSA-N 1 3 349.931 4.359 20 0 EIADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000119867117 1023440456 /nfs/dbraw/zinc/44/04/56/1023440456.db2.gz CASHQMDURXSRJS-QGZVFWFLSA-N 1 3 334.504 4.007 20 0 EIADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075195 1023484127 /nfs/dbraw/zinc/48/41/27/1023484127.db2.gz OOSYAWYCRPPOLI-HUUCEWRRSA-N 1 3 328.422 4.083 20 0 EIADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075195 1023484132 /nfs/dbraw/zinc/48/41/32/1023484132.db2.gz OOSYAWYCRPPOLI-HUUCEWRRSA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075195 1023484139 /nfs/dbraw/zinc/48/41/39/1023484139.db2.gz OOSYAWYCRPPOLI-HUUCEWRRSA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075195 1023484148 /nfs/dbraw/zinc/48/41/48/1023484148.db2.gz OOSYAWYCRPPOLI-HUUCEWRRSA-N 1 3 328.422 4.083 20 0 EIADHO c1nc(C2CCCC2)sc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786174 1023526492 /nfs/dbraw/zinc/52/64/92/1023526492.db2.gz LVJHPYKRYAVITB-KRWDZBQOSA-N 1 3 333.545 4.012 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(CC(C)C)nc2)c1 ZINC000892937203 1023527428 /nfs/dbraw/zinc/52/74/28/1023527428.db2.gz AJDJBWSSVZKTKI-UHFFFAOYSA-N 1 3 325.500 4.022 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(CC(C)C)nc2)c1 ZINC000892937203 1023527442 /nfs/dbraw/zinc/52/74/42/1023527442.db2.gz AJDJBWSSVZKTKI-UHFFFAOYSA-N 1 3 325.500 4.022 20 0 EIADHO c1cc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cs1 ZINC000656786980 1023535930 /nfs/dbraw/zinc/53/59/30/1023535930.db2.gz YVOKIOBOSAQASP-OAHLLOKOSA-N 1 3 347.553 4.083 20 0 EIADHO CCC[NH+]1CCC(N(C)Cc2ccc(OC)c3ccccc23)CC1 ZINC000510449839 1023597517 /nfs/dbraw/zinc/59/75/17/1023597517.db2.gz PBQOROZWXFICJE-UHFFFAOYSA-N 1 3 326.484 4.155 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000341761283 1024628871 /nfs/dbraw/zinc/62/88/71/1024628871.db2.gz QAAQUVIPZMKFCJ-IBGZPJMESA-N 1 3 344.886 4.405 20 0 EIADHO c1ccc(CC[N@@H+]2CC[C@@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000249059200 1024875614 /nfs/dbraw/zinc/87/56/14/1024875614.db2.gz ZLRGILIFJDQZNB-REWPJTCUSA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CC[N@H+]2CC[C@@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000249059200 1024875616 /nfs/dbraw/zinc/87/56/16/1024875616.db2.gz ZLRGILIFJDQZNB-REWPJTCUSA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCCNc4ccccc43)C2)cc1 ZINC000249059200 1024875619 /nfs/dbraw/zinc/87/56/19/1024875619.db2.gz ZLRGILIFJDQZNB-REWPJTCUSA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611407 1025056930 /nfs/dbraw/zinc/05/69/30/1025056930.db2.gz GLMNPPYBBXFDNC-NZQKXSOJSA-N 1 3 349.522 4.425 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611407 1025056938 /nfs/dbraw/zinc/05/69/38/1025056938.db2.gz GLMNPPYBBXFDNC-NZQKXSOJSA-N 1 3 349.522 4.425 20 0 EIADHO C[C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)[C@@H]1CCC[NH3+] ZINC000662313011 1025061907 /nfs/dbraw/zinc/06/19/07/1025061907.db2.gz JLZCKDYPRSNKKP-CZUORRHYSA-N 1 3 335.542 4.211 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925781076 1025526774 /nfs/dbraw/zinc/52/67/74/1025526774.db2.gz WLUMVVCSIFQRPF-FZMZJTMJSA-N 1 3 337.241 4.279 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925781077 1025529020 /nfs/dbraw/zinc/52/90/20/1025529020.db2.gz WLUMVVCSIFQRPF-RISCZKNCSA-N 1 3 337.241 4.279 20 0 EIADHO Cc1cccc2[nH]c(CNCc3ccc(C[NH+]4CCCC4)cc3)cc21 ZINC000657296368 1025756115 /nfs/dbraw/zinc/75/61/15/1025756115.db2.gz GSIIWUOTVBIQSJ-UHFFFAOYSA-N 1 3 333.479 4.362 20 0 EIADHO CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000187789279 1025902883 /nfs/dbraw/zinc/90/28/83/1025902883.db2.gz UXDYDHMUIKZVNW-FQEVSTJZSA-N 1 3 330.447 4.007 20 0 EIADHO CC(C)(Cc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167969935 1026042418 /nfs/dbraw/zinc/04/24/18/1026042418.db2.gz IEXBTMLNQOOYGS-YQQQUEKLSA-N 1 3 330.491 4.142 20 0 EIADHO CC(C)(Cc1ccccc1F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969935 1026042437 /nfs/dbraw/zinc/04/24/37/1026042437.db2.gz IEXBTMLNQOOYGS-YQQQUEKLSA-N 1 3 330.491 4.142 20 0 EIADHO CC(C)(Cc1ccccc1F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969935 1026042458 /nfs/dbraw/zinc/04/24/58/1026042458.db2.gz IEXBTMLNQOOYGS-YQQQUEKLSA-N 1 3 330.491 4.142 20 0 EIADHO CSc1ccccc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511109684 1026552196 /nfs/dbraw/zinc/55/21/96/1026552196.db2.gz KTUOCXYYNOQGPZ-IBGZPJMESA-N 1 3 340.536 4.362 20 0 EIADHO CSc1ccccc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511109684 1026552205 /nfs/dbraw/zinc/55/22/05/1026552205.db2.gz KTUOCXYYNOQGPZ-IBGZPJMESA-N 1 3 340.536 4.362 20 0 EIADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148323 1026751135 /nfs/dbraw/zinc/75/11/35/1026751135.db2.gz XOKFCLNKPINFAN-SJLPKXTDSA-N 1 3 340.433 4.369 20 0 EIADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148323 1026751150 /nfs/dbraw/zinc/75/11/50/1026751150.db2.gz XOKFCLNKPINFAN-SJLPKXTDSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148323 1026751162 /nfs/dbraw/zinc/75/11/62/1026751162.db2.gz XOKFCLNKPINFAN-SJLPKXTDSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148323 1026751172 /nfs/dbraw/zinc/75/11/72/1026751172.db2.gz XOKFCLNKPINFAN-SJLPKXTDSA-N 1 3 340.433 4.369 20 0 EIADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H](c4cccnc4)C4CC4)[C@@H]3C2)cc1 ZINC000507463485 1026804637 /nfs/dbraw/zinc/80/46/37/1026804637.db2.gz UCGSBTBJCOGUAY-BJESRGMDSA-N 1 3 347.506 4.033 20 0 EIADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H](c4cccnc4)C4CC4)[C@@H]3C2)cc1 ZINC000507463485 1026804640 /nfs/dbraw/zinc/80/46/40/1026804640.db2.gz UCGSBTBJCOGUAY-BJESRGMDSA-N 1 3 347.506 4.033 20 0 EIADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000582560156 1026805632 /nfs/dbraw/zinc/80/56/32/1026805632.db2.gz CWFFKGAYMQIECV-IFMALSPDSA-N 1 3 338.495 4.401 20 0 EIADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000582560156 1026805634 /nfs/dbraw/zinc/80/56/34/1026805634.db2.gz CWFFKGAYMQIECV-IFMALSPDSA-N 1 3 338.495 4.401 20 0 EIADHO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000507532122 1026828695 /nfs/dbraw/zinc/82/86/95/1026828695.db2.gz RKMVCTMSPFKVBF-OJAHFUOMSA-N 1 3 332.557 4.018 20 0 EIADHO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000507531757 1026829010 /nfs/dbraw/zinc/82/90/10/1026829010.db2.gz RKMVCTMSPFKVBF-IJXRJRJASA-N 1 3 332.557 4.018 20 0 EIADHO CCSCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000507531755 1026829342 /nfs/dbraw/zinc/82/93/42/1026829342.db2.gz RKMVCTMSPFKVBF-FRYIKTPZSA-N 1 3 332.557 4.018 20 0 EIADHO Cc1ccccc1SC[C@@H](C)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001167599045 1026943053 /nfs/dbraw/zinc/94/30/53/1026943053.db2.gz NWSPWVTUTKYFDW-PXNSSMCTSA-N 1 3 346.584 4.387 20 0 EIADHO Cc1ccccc1SC[C@@H](C)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001167599045 1026943055 /nfs/dbraw/zinc/94/30/55/1026943055.db2.gz NWSPWVTUTKYFDW-PXNSSMCTSA-N 1 3 346.584 4.387 20 0 EIADHO Cc1ccccc1SC[C@H](C)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001167599046 1026943217 /nfs/dbraw/zinc/94/32/17/1026943217.db2.gz NWSPWVTUTKYFDW-XLIONFOSSA-N 1 3 346.584 4.387 20 0 EIADHO Cc1ccccc1SC[C@H](C)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001167599046 1026943226 /nfs/dbraw/zinc/94/32/26/1026943226.db2.gz NWSPWVTUTKYFDW-XLIONFOSSA-N 1 3 346.584 4.387 20 0 EIADHO CCN1CC[C@@H](C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000474484969 1027122876 /nfs/dbraw/zinc/12/28/76/1027122876.db2.gz BWUCKXSDKXVMCA-HNNXBMFYSA-N 1 3 329.315 4.248 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000474628559 1027336462 /nfs/dbraw/zinc/33/64/62/1027336462.db2.gz LBXKIXAXRKKFOX-LJISPDSOSA-N 1 3 326.937 4.215 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280963618 1028312229 /nfs/dbraw/zinc/31/22/29/1028312229.db2.gz ZGTUYTMNSFGFMK-DDBAPUKQSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280963618 1028312251 /nfs/dbraw/zinc/31/22/51/1028312251.db2.gz ZGTUYTMNSFGFMK-DDBAPUKQSA-N 1 3 338.417 4.168 20 0 EIADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)ccc1SC ZINC000125918147 1028496162 /nfs/dbraw/zinc/49/61/62/1028496162.db2.gz DHNDXJXUWVLVFG-JKSUJKDBSA-N 1 3 336.545 4.188 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281360490 1028557764 /nfs/dbraw/zinc/55/77/64/1028557764.db2.gz WBDDSZXMVHDTHW-NRFANRHFSA-N 1 3 341.474 4.302 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281360490 1028557799 /nfs/dbraw/zinc/55/77/99/1028557799.db2.gz WBDDSZXMVHDTHW-NRFANRHFSA-N 1 3 341.474 4.302 20 0 EIADHO CC[N@H+]1C[C@H](N[C@H](C)c2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000343256720 1028817175 /nfs/dbraw/zinc/81/71/75/1028817175.db2.gz PWRGNGYWJCTPRT-IYOUNJFTSA-N 1 3 329.513 4.109 20 0 EIADHO CC[N@@H+]1C[C@H](N[C@H](C)c2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000343256720 1028817177 /nfs/dbraw/zinc/81/71/77/1028817177.db2.gz PWRGNGYWJCTPRT-IYOUNJFTSA-N 1 3 329.513 4.109 20 0 EIADHO CSc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000583722352 1029090288 /nfs/dbraw/zinc/09/02/88/1029090288.db2.gz SMGRENMHQJOJAJ-UHFFFAOYSA-N 1 3 332.538 4.356 20 0 EIADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000522973585 1029138841 /nfs/dbraw/zinc/13/88/41/1029138841.db2.gz BRQKXHXEUKHIBU-CZUORRHYSA-N 1 3 328.447 4.305 20 0 EIADHO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCN1C ZINC000525207851 1029514670 /nfs/dbraw/zinc/51/46/70/1029514670.db2.gz RFDBKVYVIQJXKK-RHSMWYFYSA-N 1 3 336.907 4.234 20 0 EIADHO Cc1cc(C)c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000708511636 1029742835 /nfs/dbraw/zinc/74/28/35/1029742835.db2.gz DYLZFMPNCLCKFL-NZQKXSOJSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000708511636 1029742846 /nfs/dbraw/zinc/74/28/46/1029742846.db2.gz DYLZFMPNCLCKFL-NZQKXSOJSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1C ZINC000708511636 1029742852 /nfs/dbraw/zinc/74/28/52/1029742852.db2.gz DYLZFMPNCLCKFL-NZQKXSOJSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000708511638 1029743286 /nfs/dbraw/zinc/74/32/86/1029743286.db2.gz DYLZFMPNCLCKFL-REWPJTCUSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(CNC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000708511638 1029743292 /nfs/dbraw/zinc/74/32/92/1029743292.db2.gz DYLZFMPNCLCKFL-REWPJTCUSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1C ZINC000708511638 1029743298 /nfs/dbraw/zinc/74/32/98/1029743298.db2.gz DYLZFMPNCLCKFL-REWPJTCUSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(CNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000708511637 1029743611 /nfs/dbraw/zinc/74/36/11/1029743611.db2.gz DYLZFMPNCLCKFL-OFNKIYASSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(CNC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000708511637 1029743620 /nfs/dbraw/zinc/74/36/20/1029743620.db2.gz DYLZFMPNCLCKFL-OFNKIYASSA-N 1 3 336.523 4.470 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1C ZINC000708511637 1029743628 /nfs/dbraw/zinc/74/36/28/1029743628.db2.gz DYLZFMPNCLCKFL-OFNKIYASSA-N 1 3 336.523 4.470 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](c1cccnc1)C(C)C ZINC000091267502 1029882385 /nfs/dbraw/zinc/88/23/85/1029882385.db2.gz AYBHOYDVJADNOQ-NRFANRHFSA-N 1 3 325.500 4.410 20 0 EIADHO Cc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(C(F)(F)F)c1 ZINC001143457330 1030181331 /nfs/dbraw/zinc/18/13/31/1030181331.db2.gz GPWCJCYEVXFKME-UHFFFAOYSA-N 1 3 340.433 4.322 20 0 EIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc(F)c(F)c3)CC2)C1 ZINC000527291165 1030616316 /nfs/dbraw/zinc/61/63/16/1030616316.db2.gz RAZJNCDDQSBPLZ-YJBOKZPZSA-N 1 3 336.470 4.140 20 0 EIADHO Cc1cccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C ZINC000658167398 1030864833 /nfs/dbraw/zinc/86/48/33/1030864833.db2.gz RVVGYRVZEPLCCK-IBGZPJMESA-N 1 3 337.511 4.261 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000658168754 1030864964 /nfs/dbraw/zinc/86/49/64/1030864964.db2.gz YKDALUAJNGAPQJ-OAQYLSRUSA-N 1 3 341.474 4.174 20 0 EIADHO Cc1cnccc1CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449202079 1031546472 /nfs/dbraw/zinc/54/64/72/1031546472.db2.gz DZPXYVCDIYOAEN-UHFFFAOYSA-N 1 3 331.548 4.201 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449561692 1031847658 /nfs/dbraw/zinc/84/76/58/1031847658.db2.gz XHFFIDVNXQQLDE-IAJPZMCFSA-N 1 3 338.417 4.324 20 0 EIADHO Fc1ccc(CC2(NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000453353174 1031882613 /nfs/dbraw/zinc/88/26/13/1031882613.db2.gz NKROVCGIVCOSCO-UHFFFAOYSA-N 1 3 330.491 4.288 20 0 EIADHO Fc1ccc(CC2([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000453353174 1031882618 /nfs/dbraw/zinc/88/26/18/1031882618.db2.gz NKROVCGIVCOSCO-UHFFFAOYSA-N 1 3 330.491 4.288 20 0 EIADHO COc1ccc([C@H](CCC(C)C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000453363558 1031902261 /nfs/dbraw/zinc/90/22/61/1031902261.db2.gz RRFTVQNVIXLPME-QYYYHEGRSA-N 1 3 330.516 4.387 20 0 EIADHO COc1ccc([C@H](CCC(C)C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453363558 1031902266 /nfs/dbraw/zinc/90/22/66/1031902266.db2.gz RRFTVQNVIXLPME-QYYYHEGRSA-N 1 3 330.516 4.387 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000531980183 1031929085 /nfs/dbraw/zinc/92/90/85/1031929085.db2.gz AOEPSNZGRMTPHM-PGRDOPGGSA-N 1 3 337.511 4.274 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000531980183 1031929100 /nfs/dbraw/zinc/92/91/00/1031929100.db2.gz AOEPSNZGRMTPHM-PGRDOPGGSA-N 1 3 337.511 4.274 20 0 EIADHO COc1cc(F)cc(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000449779783 1032002092 /nfs/dbraw/zinc/00/20/92/1032002092.db2.gz FBTJIXCCYZSCKK-MRXNPFEDSA-N 1 3 348.506 4.152 20 0 EIADHO COc1cc(F)cc(C[C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000449779783 1032002108 /nfs/dbraw/zinc/00/21/08/1032002108.db2.gz FBTJIXCCYZSCKK-MRXNPFEDSA-N 1 3 348.506 4.152 20 0 EIADHO CCN1CCC([N@H+](C)Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512756439 1033855557 /nfs/dbraw/zinc/85/55/57/1033855557.db2.gz UJWPHFZTRHZUAF-UHFFFAOYSA-N 1 3 338.495 4.278 20 0 EIADHO CCN1CCC([N@@H+](C)Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512756439 1033855562 /nfs/dbraw/zinc/85/55/62/1033855562.db2.gz UJWPHFZTRHZUAF-UHFFFAOYSA-N 1 3 338.495 4.278 20 0 EIADHO Cc1[nH]c2c(cc(C)cc2C[NH2+]C2CCN(C(C)(C)C)CC2)c1C ZINC000513214789 1034837900 /nfs/dbraw/zinc/83/79/00/1034837900.db2.gz ZZKXXKARJZQUTN-UHFFFAOYSA-N 1 3 327.516 4.446 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000501774095 1035584466 /nfs/dbraw/zinc/58/44/66/1035584466.db2.gz JONJIIRBSZTVAC-UHFFFAOYSA-N 1 3 345.918 4.442 20 0 EIADHO CSC1(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000589169078 1036683200 /nfs/dbraw/zinc/68/32/00/1036683200.db2.gz XOYMDUNFNQBONE-UHFFFAOYSA-N 1 3 338.948 4.037 20 0 EIADHO COc1ccsc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000513756559 1036700562 /nfs/dbraw/zinc/70/05/62/1036700562.db2.gz YVNOOXFMOFTMBY-UHFFFAOYSA-N 1 3 344.524 4.101 20 0 EIADHO COc1ccsc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000513756559 1036700593 /nfs/dbraw/zinc/70/05/93/1036700593.db2.gz YVNOOXFMOFTMBY-UHFFFAOYSA-N 1 3 344.524 4.101 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001168413790 1036766728 /nfs/dbraw/zinc/76/67/28/1036766728.db2.gz AREPHTQIQDFRQL-QFIPXVFZSA-N 1 3 344.518 4.317 20 0 EIADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165313376 1036774707 /nfs/dbraw/zinc/77/47/07/1036774707.db2.gz PINRHQNEEJFJCZ-MJGOQNOKSA-N 1 3 334.573 4.061 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000486713185 1036823632 /nfs/dbraw/zinc/82/36/32/1036823632.db2.gz VOQFWEDCIUAKSO-UHFFFAOYSA-N 1 3 339.458 4.439 20 0 EIADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000486935526 1036906624 /nfs/dbraw/zinc/90/66/24/1036906624.db2.gz JKOJRLHJEKUGPQ-QTWIXLPOSA-N 1 3 335.495 4.117 20 0 EIADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000486935526 1036906644 /nfs/dbraw/zinc/90/66/44/1036906644.db2.gz JKOJRLHJEKUGPQ-QTWIXLPOSA-N 1 3 335.495 4.117 20 0 EIADHO C(=C/c1ccncc1)\CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000486966683 1036909517 /nfs/dbraw/zinc/90/95/17/1036909517.db2.gz MGNOCWJCKMMOQY-RMKNXTFCSA-N 1 3 335.495 4.261 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271842541 1037032716 /nfs/dbraw/zinc/03/27/16/1037032716.db2.gz HCSFFYORJQOBNA-AWEZNQCLSA-N 1 3 327.497 4.031 20 0 EIADHO N[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C1CC1 ZINC000573082400 1037347096 /nfs/dbraw/zinc/34/70/96/1037347096.db2.gz AFPGXLCZCACSDB-LSDHHAIUSA-N 1 3 347.915 4.168 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000574005090 1037802743 /nfs/dbraw/zinc/80/27/43/1037802743.db2.gz DDYSVJXDHMOMPA-UHFFFAOYSA-N 1 3 329.532 4.054 20 0 EIADHO CCc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422741917 1037822373 /nfs/dbraw/zinc/82/23/73/1037822373.db2.gz FPGMCERHCOVOBM-BUKVSMQUSA-N 1 3 336.479 4.156 20 0 EIADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000422746698 1037823476 /nfs/dbraw/zinc/82/34/76/1037823476.db2.gz WYOQVTUGDJZLBG-MISYRCLQSA-N 1 3 325.500 4.103 20 0 EIADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422745357 1037824181 /nfs/dbraw/zinc/82/41/81/1037824181.db2.gz MDZNLDSIVONFDC-DCPHZVHLSA-N 1 3 342.870 4.247 20 0 EIADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422748884 1037825036 /nfs/dbraw/zinc/82/50/36/1037825036.db2.gz WPUQIYRVBOMEOS-DCPHZVHLSA-N 1 3 342.870 4.247 20 0 EIADHO Cc1nc(-c2ccc([C@H](C)N[C@H]3CC[NH2+]CC[C@H]3C)cc2)cs1 ZINC000422800628 1037836814 /nfs/dbraw/zinc/83/68/14/1037836814.db2.gz CLWURUFELMMDFY-GLJUWKHASA-N 1 3 329.513 4.157 20 0 EIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422911802 1037866914 /nfs/dbraw/zinc/86/69/14/1037866914.db2.gz LOPNYHHTODRSAB-BTINSWFASA-N 1 3 330.859 4.150 20 0 EIADHO CC[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1cccc(Cl)c1 ZINC000422927382 1037871617 /nfs/dbraw/zinc/87/16/17/1037871617.db2.gz GKJPMZSJTQCCLK-DYVFJYSZSA-N 1 3 347.890 4.010 20 0 EIADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)nc1 ZINC000422997587 1037896580 /nfs/dbraw/zinc/89/65/80/1037896580.db2.gz OLXKLVUDFPKWAL-CEMLEFRQSA-N 1 3 335.495 4.149 20 0 EIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423006234 1037899743 /nfs/dbraw/zinc/89/97/43/1037899743.db2.gz USEAIOWJEKYFRU-YXYSEUPNSA-N 1 3 330.516 4.055 20 0 EIADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(C2CCC2)cc1 ZINC000423067841 1037933878 /nfs/dbraw/zinc/93/38/78/1037933878.db2.gz AGHPXJNQYUNESD-GMAHTHKFSA-N 1 3 348.490 4.300 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423050778 1037937912 /nfs/dbraw/zinc/93/79/12/1037937912.db2.gz MAUOOPCMMYSTRD-AEFFLSMTSA-N 1 3 337.511 4.400 20 0 EIADHO [NH3+][C@@H]1C[C@@H](NCC2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423054525 1037941973 /nfs/dbraw/zinc/94/19/73/1037941973.db2.gz USCMEPFRRCXFHK-NHCUHLMSSA-N 1 3 336.479 4.108 20 0 EIADHO Cc1ccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CCC2)cc1C ZINC000423085426 1037946455 /nfs/dbraw/zinc/94/64/55/1037946455.db2.gz JXFDQQBILMASTD-QGZVFWFLSA-N 1 3 337.511 4.238 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423100302 1037958005 /nfs/dbraw/zinc/95/80/05/1037958005.db2.gz VCPJDHIYANZKPY-DDUZABMNSA-N 1 3 329.875 4.099 20 0 EIADHO COc1cc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1SC ZINC000423295901 1038122767 /nfs/dbraw/zinc/12/27/67/1038122767.db2.gz XSQAJXOUXNRECJ-KGLIPLIRSA-N 1 3 330.497 4.288 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCS2 ZINC000423295677 1038124726 /nfs/dbraw/zinc/12/47/26/1038124726.db2.gz XEICSOYVSQAHKA-AUUYWEPGSA-N 1 3 342.508 4.432 20 0 EIADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423350125 1038165084 /nfs/dbraw/zinc/16/50/84/1038165084.db2.gz WXMZEWAKKQWDGH-YOEHRIQHSA-N 1 3 328.422 4.006 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCN1 ZINC000423385834 1038193532 /nfs/dbraw/zinc/19/35/32/1038193532.db2.gz RCCHAWSARPKDGS-VDNDLQMASA-N 1 3 326.406 4.072 20 0 EIADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423406508 1038215605 /nfs/dbraw/zinc/21/56/05/1038215605.db2.gz UTIVOXCIPPJCER-DKVDKTFMSA-N 1 3 340.433 4.319 20 0 EIADHO CC[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423478942 1038249281 /nfs/dbraw/zinc/24/92/81/1038249281.db2.gz UYKHXSSPDUXXCQ-KBPBESRZSA-N 1 3 335.904 4.168 20 0 EIADHO COc1ccc(Cl)cc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423514005 1038270365 /nfs/dbraw/zinc/27/03/65/1038270365.db2.gz WCUSJERTUIECRU-KDOFPFPSSA-N 1 3 332.875 4.479 20 0 EIADHO CCCCCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480769818 1038796664 /nfs/dbraw/zinc/79/66/64/1038796664.db2.gz MQSLKWJNMVCVTM-ROUUACIJSA-N 1 3 330.516 4.391 20 0 EIADHO CCCCCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480769818 1038796686 /nfs/dbraw/zinc/79/66/86/1038796686.db2.gz MQSLKWJNMVCVTM-ROUUACIJSA-N 1 3 330.516 4.391 20 0 EIADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539058427 1038805371 /nfs/dbraw/zinc/80/53/71/1038805371.db2.gz JONIJNGJMLMQFX-BDTNDASRSA-N 1 3 344.543 4.058 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000539072299 1038822015 /nfs/dbraw/zinc/82/20/15/1038822015.db2.gz PJLGDIXAFNPVBJ-QLFBSQMISA-N 1 3 342.886 4.019 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)c3c2cccc3C)[C@@H](C)C1 ZINC000504921122 1038844454 /nfs/dbraw/zinc/84/44/54/1038844454.db2.gz QXKPVXUODWIJDB-YXYSEUPNSA-N 1 3 344.543 4.270 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)c3c2cccc3C)[C@@H](C)C1 ZINC000504921122 1038844457 /nfs/dbraw/zinc/84/44/57/1038844457.db2.gz QXKPVXUODWIJDB-YXYSEUPNSA-N 1 3 344.543 4.270 20 0 EIADHO CCOc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc(Cl)c1OC ZINC000414804490 1038999143 /nfs/dbraw/zinc/99/91/43/1038999143.db2.gz FIRXEQPMOKNWCK-CYBMUJFWSA-N 1 3 348.874 4.057 20 0 EIADHO CSCc1cccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550795722 1039300342 /nfs/dbraw/zinc/30/03/42/1039300342.db2.gz XBCGODVDJSZLJG-LEWJYISDSA-N 1 3 340.536 4.475 20 0 EIADHO CSCc1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550795722 1039300366 /nfs/dbraw/zinc/30/03/66/1039300366.db2.gz XBCGODVDJSZLJG-LEWJYISDSA-N 1 3 340.536 4.475 20 0 EIADHO CN1CC2(C1)CC[NH+](C1CCC(c3ccc(Cl)cc3)CC1)CC2 ZINC001168346569 1039392516 /nfs/dbraw/zinc/39/25/16/1039392516.db2.gz BJPYNJXUXPLNCI-UHFFFAOYSA-N 1 3 332.919 4.394 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)s2)[C@@H](C)C1 ZINC000122344079 1039655920 /nfs/dbraw/zinc/65/59/20/1039655920.db2.gz VJBVKJMUFCTYPB-BQFCYCMXSA-N 1 3 338.561 4.098 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)s2)[C@@H](C)C1 ZINC000122344079 1039655938 /nfs/dbraw/zinc/65/59/38/1039655938.db2.gz VJBVKJMUFCTYPB-BQFCYCMXSA-N 1 3 338.561 4.098 20 0 EIADHO CC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cc(C)ccc1OC ZINC000093370291 1039672754 /nfs/dbraw/zinc/67/27/54/1039672754.db2.gz JGMRUGHSMRUHJX-FQEVSTJZSA-N 1 3 326.484 4.306 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@@H+]1C ZINC000481740610 1039806386 /nfs/dbraw/zinc/80/63/86/1039806386.db2.gz MUTHHPPYNRGWLB-NQERJWCQSA-N 1 3 344.449 4.321 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@H+]1C ZINC000481740610 1039806394 /nfs/dbraw/zinc/80/63/94/1039806394.db2.gz MUTHHPPYNRGWLB-NQERJWCQSA-N 1 3 344.449 4.321 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430115480 1039851242 /nfs/dbraw/zinc/85/12/42/1039851242.db2.gz BFGYMFMUZONHCK-HAZIXKIPSA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430115480 1039851243 /nfs/dbraw/zinc/85/12/43/1039851243.db2.gz BFGYMFMUZONHCK-HAZIXKIPSA-N 1 3 338.417 4.136 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000482355199 1040194669 /nfs/dbraw/zinc/19/46/69/1040194669.db2.gz FKRXCVUQOCIMEU-HUUCEWRRSA-N 1 3 344.421 4.356 20 0 EIADHO C[C@H](C[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890643 1040328160 /nfs/dbraw/zinc/32/81/60/1040328160.db2.gz KVYNOJCNKJXPKN-QGPMSJSTSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@H](C[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000514890643 1040328177 /nfs/dbraw/zinc/32/81/77/1040328177.db2.gz KVYNOJCNKJXPKN-QGPMSJSTSA-N 1 3 340.433 4.225 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479466321 1040391732 /nfs/dbraw/zinc/39/17/32/1040391732.db2.gz RNJJXZYXLKYOIR-RADWXHQJSA-N 1 3 338.470 4.171 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466321 1040391746 /nfs/dbraw/zinc/39/17/46/1040391746.db2.gz RNJJXZYXLKYOIR-RADWXHQJSA-N 1 3 338.470 4.171 20 0 EIADHO c1ccc(CC(Cc2ccccc2)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995033 1040403562 /nfs/dbraw/zinc/40/35/62/1040403562.db2.gz AWOPSLLXCSXIHP-NRFANRHFSA-N 1 3 334.507 4.105 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479859888 1040720503 /nfs/dbraw/zinc/72/05/03/1040720503.db2.gz NCPAJMWSNTVIRW-CQSZACIVSA-N 1 3 331.529 4.357 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479876335 1040739747 /nfs/dbraw/zinc/73/97/47/1040739747.db2.gz SUOZNHMUWQMDEF-CYBMUJFWSA-N 1 3 349.519 4.496 20 0 EIADHO CCC[C@H](N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000480034153 1040870672 /nfs/dbraw/zinc/87/06/72/1040870672.db2.gz JJSHPFSSAUJFHH-GIVPXCGWSA-N 1 3 332.532 4.254 20 0 EIADHO CCC[C@H](N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000480034153 1040870681 /nfs/dbraw/zinc/87/06/81/1040870681.db2.gz JJSHPFSSAUJFHH-GIVPXCGWSA-N 1 3 332.532 4.254 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C2)cc1 ZINC000436241143 1040989237 /nfs/dbraw/zinc/98/92/37/1040989237.db2.gz QNCYICSGDBNDEB-GMKZXUHWSA-N 1 3 348.534 4.477 20 0 EIADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCCC2 ZINC000483841133 1041039685 /nfs/dbraw/zinc/03/96/85/1041039685.db2.gz VWMCBVHQELTRHW-UXHICEINSA-N 1 3 334.548 4.111 20 0 EIADHO CCCN1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436274976 1041047354 /nfs/dbraw/zinc/04/73/54/1041047354.db2.gz ODUJPJHSRAZEJV-UHFFFAOYSA-N 1 3 334.813 4.323 20 0 EIADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000554374162 1041059383 /nfs/dbraw/zinc/05/93/83/1041059383.db2.gz PKOFMVVZQXZXPM-CRSSMBPESA-N 1 3 330.491 4.157 20 0 EIADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN1CCCC1 ZINC000462884102 1041068498 /nfs/dbraw/zinc/06/84/98/1041068498.db2.gz YZWOQEJJDWPBRQ-QGZVFWFLSA-N 1 3 327.516 4.300 20 0 EIADHO c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000436299782 1041070097 /nfs/dbraw/zinc/07/00/97/1041070097.db2.gz HKHPKHDORIPZHP-FPOVZHCZSA-N 1 3 326.528 4.394 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000540169049 1041211152 /nfs/dbraw/zinc/21/11/52/1041211152.db2.gz JJQUMKAGIHPQNS-OTWHNJEPSA-N 1 3 340.511 4.380 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000538259732 1041221238 /nfs/dbraw/zinc/22/12/38/1041221238.db2.gz NEMQVUHNXZRIPY-FXAWDEMLSA-N 1 3 338.495 4.497 20 0 EIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(O)c1 ZINC000194850318 1041235813 /nfs/dbraw/zinc/23/58/13/1041235813.db2.gz BECWMRSHCLBGMU-MSOLQXFVSA-N 1 3 338.495 4.475 20 0 EIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(O)c1 ZINC000194850318 1041235826 /nfs/dbraw/zinc/23/58/26/1041235826.db2.gz BECWMRSHCLBGMU-MSOLQXFVSA-N 1 3 338.495 4.475 20 0 EIADHO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC[C@H](N(C)C)C3)ccc2c1 ZINC000484471411 1041249975 /nfs/dbraw/zinc/24/99/75/1041249975.db2.gz ILZUVRGOJICWPD-BEVDRBHNSA-N 1 3 326.484 4.372 20 0 EIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000484476814 1041269019 /nfs/dbraw/zinc/26/90/19/1041269019.db2.gz WPKQSXCAKRUKGY-QEJZJMRPSA-N 1 3 330.394 4.109 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1 ZINC000540258962 1041325609 /nfs/dbraw/zinc/32/56/09/1041325609.db2.gz KLUZKOPAYWHPDU-PBHICJAKSA-N 1 3 328.422 4.334 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261236 1041328001 /nfs/dbraw/zinc/32/80/01/1041328001.db2.gz XIANTHRQDXOUMZ-PBHICJAKSA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261236 1041328010 /nfs/dbraw/zinc/32/80/10/1041328010.db2.gz XIANTHRQDXOUMZ-PBHICJAKSA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261236 1041328018 /nfs/dbraw/zinc/32/80/18/1041328018.db2.gz XIANTHRQDXOUMZ-PBHICJAKSA-N 1 3 328.422 4.334 20 0 EIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1nc2ccc(Cl)cc2n1C ZINC000516030781 1041356569 /nfs/dbraw/zinc/35/65/69/1041356569.db2.gz XGGKXXPQULQUQO-OAHLLOKOSA-N 1 3 348.922 4.143 20 0 EIADHO COc1ccc([C@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)cc1OC ZINC000924796828 1041393717 /nfs/dbraw/zinc/39/37/17/1041393717.db2.gz DIAWULFSVSFOLK-CVEARBPZSA-N 1 3 342.483 4.177 20 0 EIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668079 1041460910 /nfs/dbraw/zinc/46/09/10/1041460910.db2.gz VDHWVBLGLJIIEX-NQIIRXRSSA-N 1 3 326.528 4.394 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668079 1041460915 /nfs/dbraw/zinc/46/09/15/1041460915.db2.gz VDHWVBLGLJIIEX-NQIIRXRSSA-N 1 3 326.528 4.394 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000480733988 1041496972 /nfs/dbraw/zinc/49/69/72/1041496972.db2.gz BLHRAZKPJLFGAW-IXDOHACOSA-N 1 3 338.948 4.427 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480733988 1041496979 /nfs/dbraw/zinc/49/69/79/1041496979.db2.gz BLHRAZKPJLFGAW-IXDOHACOSA-N 1 3 338.948 4.427 20 0 EIADHO [NH3+][C@H]1CCC[C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414909771 1041856240 /nfs/dbraw/zinc/85/62/40/1041856240.db2.gz CKIUBBMSXKSADX-STQMWFEESA-N 1 3 340.311 4.084 20 0 EIADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000467365302 1042012152 /nfs/dbraw/zinc/01/21/52/1042012152.db2.gz PDSUALYQBJGFJS-XYPHTWIQSA-N 1 3 328.422 4.099 20 0 EIADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000438192923 1042084137 /nfs/dbraw/zinc/08/41/37/1042084137.db2.gz RQNMERPIXNAZLH-UNMCSNQZSA-N 1 3 326.528 4.493 20 0 EIADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000438192919 1042085360 /nfs/dbraw/zinc/08/53/60/1042085360.db2.gz RQNMERPIXNAZLH-IRLDBZIGSA-N 1 3 326.528 4.493 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258748 1042436885 /nfs/dbraw/zinc/43/68/85/1042436885.db2.gz TYDROYGRANIVFW-XMSQKQJNSA-N 1 3 338.495 4.038 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258748 1042436888 /nfs/dbraw/zinc/43/68/88/1042436888.db2.gz TYDROYGRANIVFW-XMSQKQJNSA-N 1 3 338.495 4.038 20 0 EIADHO CCC[NH+]1CCC(CNCc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000518275859 1042448370 /nfs/dbraw/zinc/44/83/70/1042448370.db2.gz UXURLXRSLXMREY-UHFFFAOYSA-N 1 3 345.314 4.214 20 0 EIADHO Clc1ccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167963824 1042539172 /nfs/dbraw/zinc/53/91/72/1042539172.db2.gz FMEHNDLFJQENQR-YQQQUEKLSA-N 1 3 348.918 4.104 20 0 EIADHO Clc1ccc(OCCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167963824 1042539177 /nfs/dbraw/zinc/53/91/77/1042539177.db2.gz FMEHNDLFJQENQR-YQQQUEKLSA-N 1 3 348.918 4.104 20 0 EIADHO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309875647 1042823047 /nfs/dbraw/zinc/82/30/47/1042823047.db2.gz SYKBHBQASWVKIU-QFBILLFUSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@H](NCCC1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000178748159 1042874061 /nfs/dbraw/zinc/87/40/61/1042874061.db2.gz ABCCZLXBPZNXHN-HNNXBMFYSA-N 1 3 329.513 4.193 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)cc1CN1CCCCC1 ZINC000760040650 1042893197 /nfs/dbraw/zinc/89/31/97/1042893197.db2.gz UJLLRWYYEFDJGX-AWEZNQCLSA-N 1 3 338.442 4.129 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3nc(C)sc3c2)c1 ZINC000494027603 1043006148 /nfs/dbraw/zinc/00/61/48/1043006148.db2.gz NBCFTDWITAWCBU-UHFFFAOYSA-N 1 3 339.508 4.346 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3nc(C)sc3c2)c1 ZINC000494027603 1043006158 /nfs/dbraw/zinc/00/61/58/1043006158.db2.gz NBCFTDWITAWCBU-UHFFFAOYSA-N 1 3 339.508 4.346 20 0 EIADHO Cc1c([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cnn1-c1ccccc1 ZINC000766045658 1043230713 /nfs/dbraw/zinc/23/07/13/1043230713.db2.gz SXUODVSZBQYACA-JXFKEZNVSA-N 1 3 342.531 4.198 20 0 EIADHO c1csc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000168404056 1043373423 /nfs/dbraw/zinc/37/34/23/1043373423.db2.gz OLRRGWOQCHXFKE-UHFFFAOYSA-N 1 3 347.572 4.104 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000521196976 1043646561 /nfs/dbraw/zinc/64/65/61/1043646561.db2.gz XSVSRTNOXNJARB-UHFFFAOYSA-N 1 3 345.918 4.442 20 0 EIADHO COCCC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000442723114 1043823672 /nfs/dbraw/zinc/82/36/72/1043823672.db2.gz YONZDLNTGGLDAV-YLJYHZDGSA-N 1 3 336.495 4.005 20 0 EIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc4[nH]ccc4c3)CC2)C1 ZINC000442796124 1043842454 /nfs/dbraw/zinc/84/24/54/1043842454.db2.gz FSNUNKJFDWQNQO-DYESRHJHSA-N 1 3 339.527 4.343 20 0 EIADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001168708770 1044001016 /nfs/dbraw/zinc/00/10/16/1044001016.db2.gz OVYDGORHLVRXCN-GOSISDBHSA-N 1 3 332.919 4.051 20 0 EIADHO Clc1cccc2c1C[C@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001168708770 1044001030 /nfs/dbraw/zinc/00/10/30/1044001030.db2.gz OVYDGORHLVRXCN-GOSISDBHSA-N 1 3 332.919 4.051 20 0 EIADHO C[C@@H]1C[C@@H](NCC2(c3ccccn3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168017571 1044311062 /nfs/dbraw/zinc/31/10/62/1044311062.db2.gz BDQWSGDSSPVRDP-CEQLMSFQSA-N 1 3 349.522 4.144 20 0 EIADHO C[C@@H]1C[C@@H](NCC2(c3ccccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017571 1044311073 /nfs/dbraw/zinc/31/10/73/1044311073.db2.gz BDQWSGDSSPVRDP-CEQLMSFQSA-N 1 3 349.522 4.144 20 0 EIADHO CCC[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000675815276 1044513951 /nfs/dbraw/zinc/51/39/51/1044513951.db2.gz AOJGPKRKCJBZFQ-UWJYYQICSA-N 1 3 341.499 4.214 20 0 EIADHO CS[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)(C)C ZINC000543412096 1044554065 /nfs/dbraw/zinc/55/40/65/1044554065.db2.gz VQRKGHXMMJSPKU-BPQIPLTHSA-N 1 3 326.594 4.397 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494984909 1044569051 /nfs/dbraw/zinc/56/90/51/1044569051.db2.gz HQEDPDXVFVUXNP-GJEJWFRCSA-N 1 3 327.516 4.071 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494984909 1044569066 /nfs/dbraw/zinc/56/90/66/1044569066.db2.gz HQEDPDXVFVUXNP-GJEJWFRCSA-N 1 3 327.516 4.071 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000177978428 1044606534 /nfs/dbraw/zinc/60/65/34/1044606534.db2.gz OLVZTOLXHXRKJG-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000177978428 1044606552 /nfs/dbraw/zinc/60/65/52/1044606552.db2.gz OLVZTOLXHXRKJG-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO CN(C)CC(C)(C)C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000495255854 1044832027 /nfs/dbraw/zinc/83/20/27/1044832027.db2.gz QTQRKUDYEHQKSJ-LJQANCHMSA-N 1 3 345.918 4.196 20 0 EIADHO Cc1cc(C#N)ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390899067 1044901885 /nfs/dbraw/zinc/90/18/85/1044901885.db2.gz PFDSAWIWJPONAY-JOCHJYFZSA-N 1 3 347.506 4.257 20 0 EIADHO Cc1cc(C#N)ccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390899067 1044901924 /nfs/dbraw/zinc/90/19/24/1044901924.db2.gz PFDSAWIWJPONAY-JOCHJYFZSA-N 1 3 347.506 4.257 20 0 EIADHO CCC[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1cccnc1 ZINC000544570187 1044942908 /nfs/dbraw/zinc/94/29/08/1044942908.db2.gz WPZYJFSKSXZZKF-WIYYLYMNSA-N 1 3 325.500 4.423 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)N(C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923319176 1045059326 /nfs/dbraw/zinc/05/93/26/1045059326.db2.gz MJDPFPVTIYXRHX-HNSVSWJLSA-N 1 3 329.513 4.210 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347922390 1045143069 /nfs/dbraw/zinc/14/30/69/1045143069.db2.gz OEEUACKJDZNJQA-KURKYZTESA-N 1 3 340.515 4.094 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000347922390 1045143074 /nfs/dbraw/zinc/14/30/74/1045143074.db2.gz OEEUACKJDZNJQA-KURKYZTESA-N 1 3 340.515 4.094 20 0 EIADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cccc3cc[nH]c32)CC1 ZINC000237456331 1045385772 /nfs/dbraw/zinc/38/57/72/1045385772.db2.gz YXJNMQLDPVLTFY-QGZVFWFLSA-N 1 3 333.479 4.483 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000769544478 1046017585 /nfs/dbraw/zinc/01/75/85/1046017585.db2.gz XGZDMEIYABLGKF-SFHVURJKSA-N 1 3 342.527 4.193 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000769544478 1046017595 /nfs/dbraw/zinc/01/75/95/1046017595.db2.gz XGZDMEIYABLGKF-SFHVURJKSA-N 1 3 342.527 4.193 20 0 EIADHO CC(C)Oc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000123681455 1046190831 /nfs/dbraw/zinc/19/08/31/1046190831.db2.gz UNQUCVRONAYIRS-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000508698035 1046328112 /nfs/dbraw/zinc/32/81/12/1046328112.db2.gz KSTQEXQRXZCKPL-WIYYLYMNSA-N 1 3 338.495 4.004 20 0 EIADHO C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508718469 1046375117 /nfs/dbraw/zinc/37/51/17/1046375117.db2.gz IZAOAWBQCPDPEG-WBVHZDCISA-N 1 3 348.943 4.444 20 0 EIADHO Fc1ccc2c(CC[NH2+]C3CCN(C4CCCCC4)CC3)c[nH]c2c1 ZINC000127746313 1046721780 /nfs/dbraw/zinc/72/17/80/1046721780.db2.gz UTASPLSORNLDRJ-UHFFFAOYSA-N 1 3 343.490 4.236 20 0 EIADHO CO[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379645731 1046740163 /nfs/dbraw/zinc/74/01/63/1046740163.db2.gz IIKBSQKVVDTSQN-STZQEDGTSA-N 1 3 338.495 4.017 20 0 EIADHO CO[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379645731 1046740178 /nfs/dbraw/zinc/74/01/78/1046740178.db2.gz IIKBSQKVVDTSQN-STZQEDGTSA-N 1 3 338.495 4.017 20 0 EIADHO FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000129558595 1047430327 /nfs/dbraw/zinc/43/03/27/1047430327.db2.gz XDIOEDIIAWMGDD-RDJZCZTQSA-N 1 3 332.454 4.352 20 0 EIADHO C[C@@H]1CC[C@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001170120357 1047477223 /nfs/dbraw/zinc/47/72/23/1047477223.db2.gz GBMJJHJTIQBRRH-CJNGLKHVSA-N 1 3 326.406 4.144 20 0 EIADHO C[NH+]1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3Cl)C2)CC1 ZINC001143715072 1048160229 /nfs/dbraw/zinc/16/02/29/1048160229.db2.gz AGPUCCARCSUHQQ-UHFFFAOYSA-N 1 3 346.824 4.277 20 0 EIADHO CN(C)c1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499126480 1048306957 /nfs/dbraw/zinc/30/69/57/1048306957.db2.gz WPPIZEHJKPAYEC-DKUWSORSSA-N 1 3 349.522 4.038 20 0 EIADHO C[C@H](CCN1CCC[C@]2(CC2(F)F)C1)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437262 1048334000 /nfs/dbraw/zinc/33/40/00/1048334000.db2.gz MTLKTALOLQNCTL-OWCLPIDISA-N 1 3 348.428 4.007 20 0 EIADHO C[C@H](CCN1CCC[C@]2(CC2(F)F)C1)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437262 1048334019 /nfs/dbraw/zinc/33/40/19/1048334019.db2.gz MTLKTALOLQNCTL-OWCLPIDISA-N 1 3 348.428 4.007 20 0 EIADHO c1cc2cccc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718328 1048818475 /nfs/dbraw/zinc/81/84/75/1048818475.db2.gz HQZRWDQUAYKAET-IRLDBZIGSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718328 1048818477 /nfs/dbraw/zinc/81/84/77/1048818477.db2.gz HQZRWDQUAYKAET-IRLDBZIGSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718328 1048818481 /nfs/dbraw/zinc/81/84/81/1048818481.db2.gz HQZRWDQUAYKAET-IRLDBZIGSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001144718328 1048818483 /nfs/dbraw/zinc/81/84/83/1048818483.db2.gz HQZRWDQUAYKAET-IRLDBZIGSA-N 1 3 345.490 4.122 20 0 EIADHO CC(C)n1c2ccccc2nc1[C@H]1CCCN1CCCCCC[NH3+] ZINC000846220264 1048844117 /nfs/dbraw/zinc/84/41/17/1048844117.db2.gz MSXKFOANRCXOLI-LJQANCHMSA-N 1 3 328.504 4.273 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000817900676 1049056436 /nfs/dbraw/zinc/05/64/36/1049056436.db2.gz UYNHKSFFUVJSKB-OCCSQVGLSA-N 1 3 325.481 4.475 20 0 EIADHO [NH3+]CCc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000817947343 1049063870 /nfs/dbraw/zinc/06/38/70/1049063870.db2.gz CMVHMMDVNUMMNG-OAQYLSRUSA-N 1 3 326.459 4.348 20 0 EIADHO Clc1nccc(CNC2CCC([NH+]3CCCCC3)CC2)c1Cl ZINC000811483910 1049079351 /nfs/dbraw/zinc/07/93/51/1049079351.db2.gz RGQBMBFXJGZNLX-UHFFFAOYSA-N 1 3 342.314 4.275 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811474205 1049092870 /nfs/dbraw/zinc/09/28/70/1049092870.db2.gz FJOIUHUBXYAABB-OKILXGFUSA-N 1 3 344.330 4.236 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811474205 1049092888 /nfs/dbraw/zinc/09/28/88/1049092888.db2.gz FJOIUHUBXYAABB-OKILXGFUSA-N 1 3 344.330 4.236 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)CC1(C)C ZINC001170671253 1049386089 /nfs/dbraw/zinc/38/60/89/1049386089.db2.gz XSGXDYXQJNPWIV-OAHLLOKOSA-N 1 3 336.470 4.063 20 0 EIADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001170968941 1049665247 /nfs/dbraw/zinc/66/52/47/1049665247.db2.gz FPTIVIDAWIOIMU-SFHVURJKSA-N 1 3 330.491 4.070 20 0 EIADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC001170968941 1049665252 /nfs/dbraw/zinc/66/52/52/1049665252.db2.gz FPTIVIDAWIOIMU-SFHVURJKSA-N 1 3 330.491 4.070 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495143 1049721273 /nfs/dbraw/zinc/72/12/73/1049721273.db2.gz XTNDEBFJWRHBDH-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495143 1049721282 /nfs/dbraw/zinc/72/12/82/1049721282.db2.gz XTNDEBFJWRHBDH-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495143 1049721293 /nfs/dbraw/zinc/72/12/93/1049721293.db2.gz XTNDEBFJWRHBDH-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495143 1049721303 /nfs/dbraw/zinc/72/13/03/1049721303.db2.gz XTNDEBFJWRHBDH-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO CN1C(C)(C)CC([NH2+]C2(c3ccc(F)cc3)CCOCC2)CC1(C)C ZINC001171629635 1049762168 /nfs/dbraw/zinc/76/21/68/1049762168.db2.gz AECYPZRRZPEUIR-UHFFFAOYSA-N 1 3 348.506 4.072 20 0 EIADHO COc1cccc(C2([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCC2)c1 ZINC001171626777 1049769861 /nfs/dbraw/zinc/76/98/61/1049769861.db2.gz BDPHLVIFVCKZFQ-UHFFFAOYSA-N 1 3 330.516 4.315 20 0 EIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001171964294 1049825274 /nfs/dbraw/zinc/82/52/74/1049825274.db2.gz LXPGIXCVDNERRR-CQSZACIVSA-N 1 3 340.433 4.230 20 0 EIADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001171966220 1049827075 /nfs/dbraw/zinc/82/70/75/1049827075.db2.gz UGHPQZJAGMRFAY-FQEVSTJZSA-N 1 3 326.459 4.359 20 0 EIADHO COc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171965166 1049827199 /nfs/dbraw/zinc/82/71/99/1049827199.db2.gz OLNFHKLBJQCOQW-HXUWFJFHSA-N 1 3 338.495 4.228 20 0 EIADHO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CCN1Cc1ccccc1 ZINC001171966603 1049828103 /nfs/dbraw/zinc/82/81/03/1049828103.db2.gz VTGOILNWHZNASN-HXUWFJFHSA-N 1 3 344.449 4.498 20 0 EIADHO CC1(C)C[C@@H](N2CCC(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988969 1049832180 /nfs/dbraw/zinc/83/21/80/1049832180.db2.gz YEQIOKUWPLEYLD-SFHVURJKSA-N 1 3 336.470 4.407 20 0 EIADHO CC1(C)C[C@@H](N2CCC(C(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988969 1049832181 /nfs/dbraw/zinc/83/21/81/1049832181.db2.gz YEQIOKUWPLEYLD-SFHVURJKSA-N 1 3 336.470 4.407 20 0 EIADHO C[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976989 1049837380 /nfs/dbraw/zinc/83/73/80/1049837380.db2.gz PLFBORXZKNMHSO-FUHWJXTLSA-N 1 3 336.470 4.407 20 0 EIADHO C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976989 1049837381 /nfs/dbraw/zinc/83/73/81/1049837381.db2.gz PLFBORXZKNMHSO-FUHWJXTLSA-N 1 3 336.470 4.407 20 0 EIADHO CC1(C)C[C@H](NCC2(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984162 1049839717 /nfs/dbraw/zinc/83/97/17/1049839717.db2.gz SFWFKTBEGDFXMN-HXUWFJFHSA-N 1 3 349.522 4.146 20 0 EIADHO CC1(C)C[C@H](NCC2(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984162 1049839722 /nfs/dbraw/zinc/83/97/22/1049839722.db2.gz SFWFKTBEGDFXMN-HXUWFJFHSA-N 1 3 349.522 4.146 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCc3cc(C(F)(F)F)ccc3C1)C2 ZINC001172127997 1049852725 /nfs/dbraw/zinc/85/27/25/1049852725.db2.gz NHDHFFCBBXHHQZ-PIIMJCKOSA-N 1 3 338.417 4.079 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCc3cc(C(F)(F)F)ccc3C1)C2 ZINC001172127997 1049852730 /nfs/dbraw/zinc/85/27/30/1049852730.db2.gz NHDHFFCBBXHHQZ-PIIMJCKOSA-N 1 3 338.417 4.079 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3Br)C2 ZINC001172112813 1049859157 /nfs/dbraw/zinc/85/91/57/1049859157.db2.gz AHZHMCYMNUDEHV-ZUMXRPEOSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3Br)C2 ZINC001172112813 1049859158 /nfs/dbraw/zinc/85/91/58/1049859158.db2.gz AHZHMCYMNUDEHV-ZUMXRPEOSA-N 1 3 349.316 4.041 20 0 EIADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC001172319421 1049877705 /nfs/dbraw/zinc/87/77/05/1049877705.db2.gz QUNPRFHXWOVOBT-MKJVIKKCSA-N 1 3 344.543 4.080 20 0 EIADHO COc1cc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC000152664426 1049910020 /nfs/dbraw/zinc/91/00/20/1049910020.db2.gz HKUZRWFLFUWKED-MRXNPFEDSA-N 1 3 342.458 4.281 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172721649 1049965006 /nfs/dbraw/zinc/96/50/06/1049965006.db2.gz IIPPCFCULXSBKH-ZCNNSNEGSA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172721649 1049965010 /nfs/dbraw/zinc/96/50/10/1049965010.db2.gz IIPPCFCULXSBKH-ZCNNSNEGSA-N 1 3 332.919 4.146 20 0 EIADHO C[C@H](CN[C@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+]1CCCC1 ZINC000247046251 1050011071 /nfs/dbraw/zinc/01/10/71/1050011071.db2.gz NABFLIATXLWRBM-OWCLPIDISA-N 1 3 331.529 4.110 20 0 EIADHO C[C@H](C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)CN1CCCC1 ZINC000247046251 1050011078 /nfs/dbraw/zinc/01/10/78/1050011078.db2.gz NABFLIATXLWRBM-OWCLPIDISA-N 1 3 331.529 4.110 20 0 EIADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000248399828 1050054284 /nfs/dbraw/zinc/05/42/84/1050054284.db2.gz KIMIAYUJTQNZJD-MMOPVJDHSA-N 1 3 330.516 4.389 20 0 EIADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000248399828 1050054290 /nfs/dbraw/zinc/05/42/90/1050054290.db2.gz KIMIAYUJTQNZJD-MMOPVJDHSA-N 1 3 330.516 4.389 20 0 EIADHO CC1CC[NH+](CCCCNCc2sccc2Br)CC1 ZINC001177294131 1050177959 /nfs/dbraw/zinc/17/79/59/1050177959.db2.gz GHXJZSKJFCANMA-UHFFFAOYSA-N 1 3 345.350 4.112 20 0 EIADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)CC2 ZINC001172840137 1050180008 /nfs/dbraw/zinc/18/00/08/1050180008.db2.gz ZRTDEOJAJVJMON-WMZHIEFXSA-N 1 3 338.539 4.263 20 0 EIADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001172847861 1050186787 /nfs/dbraw/zinc/18/67/87/1050186787.db2.gz NOXJORYEXQIURK-CQSZACIVSA-N 1 3 338.898 4.264 20 0 EIADHO C[C@H](Cc1c(F)cccc1Cl)NC1CC[NH+](CC2CCC2)CC1 ZINC001172847861 1050186793 /nfs/dbraw/zinc/18/67/93/1050186793.db2.gz NOXJORYEXQIURK-CQSZACIVSA-N 1 3 338.898 4.264 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172878126 1050218998 /nfs/dbraw/zinc/21/89/98/1050218998.db2.gz INEYFFBTCPOGGA-VNQPRFMTSA-N 1 3 326.937 4.283 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001172878126 1050219008 /nfs/dbraw/zinc/21/90/08/1050219008.db2.gz INEYFFBTCPOGGA-VNQPRFMTSA-N 1 3 326.937 4.283 20 0 EIADHO Cc1ccc(Oc2cccc(C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)c2)cc1 ZINC001206185390 1050266973 /nfs/dbraw/zinc/26/69/73/1050266973.db2.gz NEXSHDPBOBHIMX-PMACEKPBSA-N 1 3 328.431 4.049 20 0 EIADHO Cc1ccc(Oc2cccc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)c2)cc1 ZINC001206185390 1050266991 /nfs/dbraw/zinc/26/69/91/1050266991.db2.gz NEXSHDPBOBHIMX-PMACEKPBSA-N 1 3 328.431 4.049 20 0 EIADHO c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000253355503 1050455305 /nfs/dbraw/zinc/45/53/05/1050455305.db2.gz HNOFEUCVUDALQA-KNQAVFIVSA-N 1 3 335.495 4.045 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000253355503 1050455312 /nfs/dbraw/zinc/45/53/12/1050455312.db2.gz HNOFEUCVUDALQA-KNQAVFIVSA-N 1 3 335.495 4.045 20 0 EIADHO CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001179015565 1050610397 /nfs/dbraw/zinc/61/03/97/1050610397.db2.gz FSMAOHSNCZNOEX-QUCCMNQESA-N 1 3 342.914 4.337 20 0 EIADHO COc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001179205097 1050649645 /nfs/dbraw/zinc/64/96/45/1050649645.db2.gz JHIUIRRSTJJVLO-UWJYYQICSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC001179205097 1050649652 /nfs/dbraw/zinc/64/96/52/1050649652.db2.gz JHIUIRRSTJJVLO-UWJYYQICSA-N 1 3 338.495 4.146 20 0 EIADHO CC(C)[C@H](CN[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC001179636705 1050746473 /nfs/dbraw/zinc/74/64/73/1050746473.db2.gz KLKVFUZTLXWNQM-SFTDATJTSA-N 1 3 325.500 4.104 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000069716241 1050773751 /nfs/dbraw/zinc/77/37/51/1050773751.db2.gz AESIWOILCSROOS-UHFFFAOYSA-N 1 3 348.494 4.004 20 0 EIADHO CC[NH+](CC)CC[C@H](N[C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccccc1 ZINC001179805563 1050782121 /nfs/dbraw/zinc/78/21/21/1050782121.db2.gz KBJKKAICFGUQIW-YSFYHYPLSA-N 1 3 344.543 4.254 20 0 EIADHO Fc1cccc(/C=C/CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001180125218 1050893153 /nfs/dbraw/zinc/89/31/53/1050893153.db2.gz WFEXFPNTNTWLOY-SOFGYWHQSA-N 1 3 330.491 4.427 20 0 EIADHO COc1ccc(SCCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180795290 1051080305 /nfs/dbraw/zinc/08/03/05/1051080305.db2.gz UOTZOKJBQUHDPF-IRXDYDNUSA-N 1 3 348.556 4.030 20 0 EIADHO COc1ccc(SCCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180795290 1051080313 /nfs/dbraw/zinc/08/03/13/1051080313.db2.gz UOTZOKJBQUHDPF-IRXDYDNUSA-N 1 3 348.556 4.030 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cncc(C)c2)ccc1OC ZINC000183402579 1051109106 /nfs/dbraw/zinc/10/91/06/1051109106.db2.gz TWWMWBDEOACFKO-QGZVFWFLSA-N 1 3 341.499 4.091 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)ccc1OC ZINC000775365980 1051135251 /nfs/dbraw/zinc/13/52/51/1051135251.db2.gz RTAJJTMJTSOFIH-DLBZAZTESA-N 1 3 344.499 4.412 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1CN1CCCCC1 ZINC000775397083 1051210281 /nfs/dbraw/zinc/21/02/81/1051210281.db2.gz SZUZXDFVXOFMRC-APWZRJJASA-N 1 3 348.556 4.227 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1CN1CCCCC1 ZINC000775396031 1051219574 /nfs/dbraw/zinc/21/95/74/1051219574.db2.gz OWYVVHMMDCBTCK-LAUBAEHRSA-N 1 3 348.531 4.003 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)C1 ZINC000163239995 1051357789 /nfs/dbraw/zinc/35/77/89/1051357789.db2.gz FWKAEEXJTUXSQM-ZWKOTPCHSA-N 1 3 338.495 4.355 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311009198 1051453202 /nfs/dbraw/zinc/45/32/02/1051453202.db2.gz WXUZODRPQNQOLU-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2cc[nH]c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311009198 1051453210 /nfs/dbraw/zinc/45/32/10/1051453210.db2.gz WXUZODRPQNQOLU-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2cc[nH]c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311009198 1051453214 /nfs/dbraw/zinc/45/32/14/1051453214.db2.gz WXUZODRPQNQOLU-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271902766 1051556684 /nfs/dbraw/zinc/55/66/84/1051556684.db2.gz VXQQSJNMBHSFGL-LBPRGKRZSA-N 1 3 349.272 4.108 20 0 EIADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000271902766 1051556700 /nfs/dbraw/zinc/55/67/00/1051556700.db2.gz VXQQSJNMBHSFGL-LBPRGKRZSA-N 1 3 349.272 4.108 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158103080 1051709047 /nfs/dbraw/zinc/70/90/47/1051709047.db2.gz BFFSAQLGOJJYKT-KGLIPLIRSA-N 1 3 328.472 4.036 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158103080 1051709061 /nfs/dbraw/zinc/70/90/61/1051709061.db2.gz BFFSAQLGOJJYKT-KGLIPLIRSA-N 1 3 328.472 4.036 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158142657 1051720208 /nfs/dbraw/zinc/72/02/08/1051720208.db2.gz BJFQOAQJUJBIEY-QZTJIDSGSA-N 1 3 338.495 4.355 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158142657 1051720212 /nfs/dbraw/zinc/72/02/12/1051720212.db2.gz BJFQOAQJUJBIEY-QZTJIDSGSA-N 1 3 338.495 4.355 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158218765 1051728726 /nfs/dbraw/zinc/72/87/26/1051728726.db2.gz GATLDIWAESYHMD-GDBMZVCRSA-N 1 3 329.513 4.111 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158218765 1051728737 /nfs/dbraw/zinc/72/87/37/1051728737.db2.gz GATLDIWAESYHMD-GDBMZVCRSA-N 1 3 329.513 4.111 20 0 EIADHO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@@H](C)N(C)C ZINC001183105100 1051790768 /nfs/dbraw/zinc/79/07/68/1051790768.db2.gz YHHIGUYBXBWQEK-VXGBXAGGSA-N 1 3 336.829 4.220 20 0 EIADHO Cc1[nH]c2ccccc2c1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000158889847 1051795437 /nfs/dbraw/zinc/79/54/37/1051795437.db2.gz LTSCIIUHLWJOQL-UHFFFAOYSA-N 1 3 339.527 4.406 20 0 EIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(OC(F)(F)F)c1 ZINC000775549662 1051815642 /nfs/dbraw/zinc/81/56/42/1051815642.db2.gz ZGZFYQFQQKMWJZ-DZGCQCFKSA-N 1 3 330.394 4.110 20 0 EIADHO CCc1ccccc1CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973094 1051854863 /nfs/dbraw/zinc/85/48/63/1051854863.db2.gz JIFMIXAXIGXXBL-PKTZIBPZSA-N 1 3 334.507 4.203 20 0 EIADHO CCc1ccccc1CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973094 1051854866 /nfs/dbraw/zinc/85/48/66/1051854866.db2.gz JIFMIXAXIGXXBL-PKTZIBPZSA-N 1 3 334.507 4.203 20 0 EIADHO C[C@@H]1CCN(Cc2c(Cl)cccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205628565 1051913991 /nfs/dbraw/zinc/91/39/91/1051913991.db2.gz VZXUTCYMPLUGOM-VXGBXAGGSA-N 1 3 334.813 4.166 20 0 EIADHO CC[NH+]1CCC(N[C@@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000159305861 1051973638 /nfs/dbraw/zinc/97/36/38/1051973638.db2.gz YBNNYZJMNOIRLO-MLGOLLRUSA-N 1 3 337.305 4.071 20 0 EIADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001184303257 1051982017 /nfs/dbraw/zinc/98/20/17/1051982017.db2.gz NZSBTSAGSRRTRN-JKIFEVAISA-N 1 3 344.396 4.007 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](NC/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000414913739 1051982036 /nfs/dbraw/zinc/98/20/36/1051982036.db2.gz JPUQDRZYYVKOQO-OCXKFJFWSA-N 1 3 336.479 4.138 20 0 EIADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3cccc(F)c3)C2)s1 ZINC001194152588 1052090392 /nfs/dbraw/zinc/09/03/92/1052090392.db2.gz DUHOQJFECXYZTM-SFHVURJKSA-N 1 3 346.515 4.192 20 0 EIADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3cccc(F)c3)C2)s1 ZINC001194152588 1052090404 /nfs/dbraw/zinc/09/04/04/1052090404.db2.gz DUHOQJFECXYZTM-SFHVURJKSA-N 1 3 346.515 4.192 20 0 EIADHO c1cc2c(s1)CCC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336707878 1052513143 /nfs/dbraw/zinc/51/31/43/1052513143.db2.gz JFXYQAFAHHBICT-HKUYNNGSSA-N 1 3 326.509 4.237 20 0 EIADHO c1cc2c(s1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336707878 1052513149 /nfs/dbraw/zinc/51/31/49/1052513149.db2.gz JFXYQAFAHHBICT-HKUYNNGSSA-N 1 3 326.509 4.237 20 0 EIADHO Cc1ccc2cc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000336810984 1052520701 /nfs/dbraw/zinc/52/07/01/1052520701.db2.gz KLCUPSCENCKCKM-OAQYLSRUSA-N 1 3 345.490 4.155 20 0 EIADHO Cc1ccc2cc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000336810984 1052520708 /nfs/dbraw/zinc/52/07/08/1052520708.db2.gz KLCUPSCENCKCKM-OAQYLSRUSA-N 1 3 345.490 4.155 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+](C)C(C)C)c1)CC2 ZINC000177977487 1052696058 /nfs/dbraw/zinc/69/60/58/1052696058.db2.gz ORMSKNVXGPHRJA-JOCHJYFZSA-N 1 3 338.495 4.313 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)CC2 ZINC000177977487 1052696063 /nfs/dbraw/zinc/69/60/63/1052696063.db2.gz ORMSKNVXGPHRJA-JOCHJYFZSA-N 1 3 338.495 4.313 20 0 EIADHO Cc1csc([C@H](C)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000623873260 1052827669 /nfs/dbraw/zinc/82/76/69/1052827669.db2.gz BWSPQSFBRHRILB-INIZCTEOSA-N 1 3 329.513 4.014 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)nc1 ZINC000624112568 1052865920 /nfs/dbraw/zinc/86/59/20/1052865920.db2.gz CMFVELTUTLBBLR-ICSRJNTNSA-N 1 3 343.559 4.300 20 0 EIADHO COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381292722 1053063356 /nfs/dbraw/zinc/06/33/56/1053063356.db2.gz XSEUXLLPDKTBNX-CMKODMSKSA-N 1 3 338.495 4.256 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862472 1053105696 /nfs/dbraw/zinc/10/56/96/1053105696.db2.gz JAUMRKJKSPTQCJ-LPHOPBHVSA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862472 1053105702 /nfs/dbraw/zinc/10/57/02/1053105702.db2.gz JAUMRKJKSPTQCJ-LPHOPBHVSA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000381862472 1053105707 /nfs/dbraw/zinc/10/57/07/1053105707.db2.gz JAUMRKJKSPTQCJ-LPHOPBHVSA-N 1 3 328.525 4.365 20 0 EIADHO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382069721 1053135571 /nfs/dbraw/zinc/13/55/71/1053135571.db2.gz RWYAIVIHTITHSO-QFBILLFUSA-N 1 3 328.887 4.340 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850432238 1053204624 /nfs/dbraw/zinc/20/46/24/1053204624.db2.gz VGLIMPMFCIXDMP-KRWDZBQOSA-N 1 3 338.495 4.314 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850432238 1053204648 /nfs/dbraw/zinc/20/46/48/1053204648.db2.gz VGLIMPMFCIXDMP-KRWDZBQOSA-N 1 3 338.495 4.314 20 0 EIADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000383428563 1053339570 /nfs/dbraw/zinc/33/95/70/1053339570.db2.gz BIUMWIXIEPRFTR-PXNSSMCTSA-N 1 3 326.459 4.134 20 0 EIADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000386432704 1053724282 /nfs/dbraw/zinc/72/42/82/1053724282.db2.gz OOEJLXSFWDMRGI-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)cc1CN1CCCCC1 ZINC000776891811 1054096332 /nfs/dbraw/zinc/09/63/32/1054096332.db2.gz YLTXKOKDCCTHKM-QGZVFWFLSA-N 1 3 348.531 4.147 20 0 EIADHO CC(C)c1ccccc1CNCc1cccc(OCC[NH+](C)C)c1 ZINC001199384396 1054402762 /nfs/dbraw/zinc/40/27/62/1054402762.db2.gz PRMOQGNQTUWRHT-UHFFFAOYSA-N 1 3 326.484 4.040 20 0 EIADHO [NH3+][C@H](C[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1)C1CCCC1 ZINC000873232529 1054509217 /nfs/dbraw/zinc/50/92/17/1054509217.db2.gz SDZZWXWQRPDLKB-RDTXWAMCSA-N 1 3 333.545 4.140 20 0 EIADHO CSc1cccc([C@@H](NC[C@H]2C[C@@H]([NH3+])C2)c2cc(F)ccc2F)c1 ZINC000873250187 1054514566 /nfs/dbraw/zinc/51/45/66/1054514566.db2.gz FJTVXWJUDIXGCC-XFHNUULXSA-N 1 3 348.462 4.103 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2cc(F)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC001201492026 1054819177 /nfs/dbraw/zinc/81/91/77/1054819177.db2.gz PANQHTNAIMUPLH-SJLPKXTDSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2cc(F)ccc2F)C[N@H+]1Cc1ccccc1 ZINC001201492026 1054819184 /nfs/dbraw/zinc/81/91/84/1054819184.db2.gz PANQHTNAIMUPLH-SJLPKXTDSA-N 1 3 344.449 4.355 20 0 EIADHO CCN([C@@H]1CCOC1)C1CC[NH+](CC[C@H](C)CCC=C(C)C)CC1 ZINC001201981667 1054959771 /nfs/dbraw/zinc/95/97/71/1054959771.db2.gz QLDWCFNTVMZDNC-TZIWHRDSSA-N 1 3 336.564 4.334 20 0 EIADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000877080458 1055014461 /nfs/dbraw/zinc/01/44/61/1055014461.db2.gz JELFOUXMNBLHJC-MWTRTKDXSA-N 1 3 344.480 4.096 20 0 EIADHO Cc1c(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242769 1055033036 /nfs/dbraw/zinc/03/30/36/1055033036.db2.gz QIQGWKGLTQQKKL-OXJNMPFZSA-N 1 3 341.474 4.014 20 0 EIADHO Cc1c(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccnc1F ZINC000862242769 1055033049 /nfs/dbraw/zinc/03/30/49/1055033049.db2.gz QIQGWKGLTQQKKL-OXJNMPFZSA-N 1 3 341.474 4.014 20 0 EIADHO CN1CCC2(CCC[N@@H+]2Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877457847 1055054825 /nfs/dbraw/zinc/05/48/25/1055054825.db2.gz DHNOAJKFQBDDCM-UHFFFAOYSA-N 1 3 335.904 4.010 20 0 EIADHO CN1CCC2(CCC[N@H+]2Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877457847 1055054845 /nfs/dbraw/zinc/05/48/45/1055054845.db2.gz DHNOAJKFQBDDCM-UHFFFAOYSA-N 1 3 335.904 4.010 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877457847 1055054854 /nfs/dbraw/zinc/05/48/54/1055054854.db2.gz DHNOAJKFQBDDCM-UHFFFAOYSA-N 1 3 335.904 4.010 20 0 EIADHO FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202441967 1055177165 /nfs/dbraw/zinc/17/71/65/1055177165.db2.gz IVBYZCRDTPIQIV-SFHVURJKSA-N 1 3 340.433 4.317 20 0 EIADHO FC(F)(F)CCC[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202441967 1055177170 /nfs/dbraw/zinc/17/71/70/1055177170.db2.gz IVBYZCRDTPIQIV-SFHVURJKSA-N 1 3 340.433 4.317 20 0 EIADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)sc1Br ZINC000623657314 1055533155 /nfs/dbraw/zinc/53/31/55/1055533155.db2.gz NKFOECRTFJJQEL-QWHCGFSZSA-N 1 3 345.350 4.202 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OCC3CCCCC3)c1)C2 ZINC001169108066 1060658934 /nfs/dbraw/zinc/65/89/34/1060658934.db2.gz NVHNJUNBTOJGFD-WKCHPHFGSA-N 1 3 342.527 4.361 20 0 EIADHO CN1CCCC[C@@H]1c1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc1 ZINC001169141812 1060663327 /nfs/dbraw/zinc/66/33/27/1060663327.db2.gz KWSLKQMCLDDPLD-WAOWUJCRSA-N 1 3 344.547 4.194 20 0 EIADHO CC[NH+]1CCC(N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC001169261877 1060709717 /nfs/dbraw/zinc/70/97/17/1060709717.db2.gz PVDAYUJXEHLUKN-UHFFFAOYSA-N 1 3 338.948 4.381 20 0 EIADHO Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)c2ccccc2[nH+]1 ZINC000052961945 132185714 /nfs/dbraw/zinc/18/57/14/132185714.db2.gz MKIZKMFJTXEUHC-UHFFFAOYSA-N 1 3 332.451 4.039 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)s2)cc1 ZINC000532249382 1032111581 /nfs/dbraw/zinc/11/15/81/1032111581.db2.gz WYXNNSZKMKCTEY-SPYBWZPUSA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)s2)cc1 ZINC000532249382 1032111603 /nfs/dbraw/zinc/11/16/03/1032111603.db2.gz WYXNNSZKMKCTEY-SPYBWZPUSA-N 1 3 344.524 4.242 20 0 EIADHO CC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cc(F)ccc1F ZINC000120873147 1032453525 /nfs/dbraw/zinc/45/35/25/1032453525.db2.gz OVBGSELKNJDWNX-LJQANCHMSA-N 1 3 336.401 4.406 20 0 EIADHO CC[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000120873147 1032453533 /nfs/dbraw/zinc/45/35/33/1032453533.db2.gz OVBGSELKNJDWNX-LJQANCHMSA-N 1 3 336.401 4.406 20 0 EIADHO CC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cc(F)ccc1F ZINC000120872989 1032453902 /nfs/dbraw/zinc/45/39/02/1032453902.db2.gz OVBGSELKNJDWNX-IBGZPJMESA-N 1 3 336.401 4.406 20 0 EIADHO CC[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1cc(F)ccc1F ZINC000120872989 1032453907 /nfs/dbraw/zinc/45/39/07/1032453907.db2.gz OVBGSELKNJDWNX-IBGZPJMESA-N 1 3 336.401 4.406 20 0 EIADHO CC[C@@H](C)Oc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC ZINC000666755299 1032510410 /nfs/dbraw/zinc/51/04/10/1032510410.db2.gz KMCOEADNZASEOO-HZPDHXFCSA-N 1 3 342.483 4.182 20 0 EIADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(CSC(F)F)o2)C1 ZINC000120621237 1019898581 /nfs/dbraw/zinc/89/85/81/1019898581.db2.gz FSBIYEHQFUWLFA-AWEZNQCLSA-N 1 3 346.487 4.337 20 0 EIADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(CSC(F)F)o2)C1 ZINC000120621237 1019898583 /nfs/dbraw/zinc/89/85/83/1019898583.db2.gz FSBIYEHQFUWLFA-AWEZNQCLSA-N 1 3 346.487 4.337 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Br)cc1 ZINC000037786357 1020267959 /nfs/dbraw/zinc/26/79/59/1020267959.db2.gz GKXYIHWWUWSOGE-CYBMUJFWSA-N 1 3 339.321 4.363 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3cnccc3c2)c1 ZINC000683765940 1021388908 /nfs/dbraw/zinc/38/89/08/1021388908.db2.gz KYMXTFMQJPDFHR-UHFFFAOYSA-N 1 3 333.479 4.366 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1nc(Br)cs1 ZINC000834487861 1021672863 /nfs/dbraw/zinc/67/28/63/1021672863.db2.gz PFHGUCBPLUQSGE-NEPJUHHUSA-N 1 3 348.354 4.067 20 0 EIADHO C[C@H](NCc1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152900915 1022097505 /nfs/dbraw/zinc/09/75/05/1022097505.db2.gz OSIPUDAVPJUUBW-HNNXBMFYSA-N 1 3 332.875 4.131 20 0 EIADHO COc1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C ZINC000580945765 1022734874 /nfs/dbraw/zinc/73/48/74/1022734874.db2.gz ZVIQVSWXRBGARS-XLIONFOSSA-N 1 3 344.524 4.238 20 0 EIADHO COc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1C ZINC000580945765 1022734890 /nfs/dbraw/zinc/73/48/90/1022734890.db2.gz ZVIQVSWXRBGARS-XLIONFOSSA-N 1 3 344.524 4.238 20 0 EIADHO Clc1cccc2c1SCC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423388937 1022864513 /nfs/dbraw/zinc/86/45/13/1022864513.db2.gz NUUOMDNBIGTUTC-KRWDZBQOSA-N 1 3 330.884 4.270 20 0 EIADHO Cc1cc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000311195078 1022877643 /nfs/dbraw/zinc/87/76/43/1022877643.db2.gz HOSNHISJYLNCSV-FQEVSTJZSA-N 1 3 338.495 4.011 20 0 EIADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000311195078 1022877644 /nfs/dbraw/zinc/87/76/44/1022877644.db2.gz HOSNHISJYLNCSV-FQEVSTJZSA-N 1 3 338.495 4.011 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000163572023 1022930931 /nfs/dbraw/zinc/93/09/31/1022930931.db2.gz DQNYRWDDBUQBNH-GOSISDBHSA-N 1 3 343.540 4.461 20 0 EIADHO Cc1ccccc1SC[C@@H](C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC001167457589 1023100731 /nfs/dbraw/zinc/10/07/31/1023100731.db2.gz FXWIEXUNKHSYHR-PKOBYXMFSA-N 1 3 332.557 4.141 20 0 EIADHO Cc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)ccc1Cl ZINC000581397618 1023107768 /nfs/dbraw/zinc/10/77/68/1023107768.db2.gz DTEXWEKBSDKFMK-MRXNPFEDSA-N 1 3 346.902 4.440 20 0 EIADHO [NH3+]CCC[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000415056729 1023410439 /nfs/dbraw/zinc/41/04/39/1023410439.db2.gz QMFOIOVMHDXVBF-KRWDZBQOSA-N 1 3 343.521 4.441 20 0 EIADHO C[C@@]1(CNCc2cccc3cc[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000310970411 1023494777 /nfs/dbraw/zinc/49/47/77/1023494777.db2.gz DERVVDQDYSFKTG-QFIPXVFZSA-N 1 3 333.479 4.170 20 0 EIADHO C[C@@]1(CNCc2cccc3cc[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000310970411 1023494783 /nfs/dbraw/zinc/49/47/83/1023494783.db2.gz DERVVDQDYSFKTG-QFIPXVFZSA-N 1 3 333.479 4.170 20 0 EIADHO C[C@@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000500106262 1023505672 /nfs/dbraw/zinc/50/56/72/1023505672.db2.gz ZLIHJQSZQXBZLJ-HOTGVXAUSA-N 1 3 340.433 4.227 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000394556596 1023607170 /nfs/dbraw/zinc/60/71/70/1023607170.db2.gz IXSPKLHYOKXVBD-WDSOQIARSA-N 1 3 336.470 4.312 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@H]2CC(C)(C)Cc3occc32)c1 ZINC000162553943 1025153390 /nfs/dbraw/zinc/15/33/90/1025153390.db2.gz LUQKWLBIPLCDAR-IBGZPJMESA-N 1 3 342.483 4.023 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463804 1025393397 /nfs/dbraw/zinc/39/33/97/1025393397.db2.gz BRZVAFHGHKPBGD-ZBFHGGJFSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463804 1025393415 /nfs/dbraw/zinc/39/34/15/1025393415.db2.gz BRZVAFHGHKPBGD-ZBFHGGJFSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463804 1025393432 /nfs/dbraw/zinc/39/34/32/1025393432.db2.gz BRZVAFHGHKPBGD-ZBFHGGJFSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2occc2c1 ZINC000511995490 1025592692 /nfs/dbraw/zinc/59/26/92/1025592692.db2.gz ABNDZKZARBUYFV-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2occc2c1 ZINC000511995490 1025592716 /nfs/dbraw/zinc/59/27/16/1025592716.db2.gz ABNDZKZARBUYFV-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO c1cncc([C@H]2CCC[C@H]([NH2+]C3CCN(CC4CCCC4)CC3)C2)c1 ZINC000500449341 1025695118 /nfs/dbraw/zinc/69/51/18/1025695118.db2.gz YXMRQDFBHAFWKO-UGKGYDQZSA-N 1 3 341.543 4.352 20 0 EIADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409161 1025877880 /nfs/dbraw/zinc/87/78/80/1025877880.db2.gz FGQFWCAWVCEDBS-ZWKOTPCHSA-N 1 3 348.531 4.015 20 0 EIADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409161 1025877888 /nfs/dbraw/zinc/87/78/88/1025877888.db2.gz FGQFWCAWVCEDBS-ZWKOTPCHSA-N 1 3 348.531 4.015 20 0 EIADHO CCC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 ZINC000582091756 1026130230 /nfs/dbraw/zinc/13/02/30/1026130230.db2.gz ISXLCEUWOQUPCI-OAQYLSRUSA-N 1 3 344.543 4.085 20 0 EIADHO CCCCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OCC ZINC000506851984 1026284166 /nfs/dbraw/zinc/28/41/66/1026284166.db2.gz SGTAVYMEELURMB-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO c1ccc(CC2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167982113 1026384545 /nfs/dbraw/zinc/38/45/45/1026384545.db2.gz XKTUJGDYKJDMOM-AIZNXBIQSA-N 1 3 338.539 4.347 20 0 EIADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2c(c1)CCC2 ZINC000512318488 1026687350 /nfs/dbraw/zinc/68/73/50/1026687350.db2.gz PSCVPWZULWJPBL-XGHQBKJUSA-N 1 3 326.528 4.479 20 0 EIADHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)CCC2 ZINC000512318488 1026687353 /nfs/dbraw/zinc/68/73/53/1026687353.db2.gz PSCVPWZULWJPBL-XGHQBKJUSA-N 1 3 326.528 4.479 20 0 EIADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCCS2 ZINC000188170984 1027178606 /nfs/dbraw/zinc/17/86/06/1027178606.db2.gz GMDRXJHXCWHQPB-SFHVURJKSA-N 1 3 348.556 4.475 20 0 EIADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCCS2 ZINC000188170959 1027179979 /nfs/dbraw/zinc/17/99/79/1027179979.db2.gz GMDRXJHXCWHQPB-GOSISDBHSA-N 1 3 348.556 4.475 20 0 EIADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613478 1027291133 /nfs/dbraw/zinc/29/11/33/1027291133.db2.gz KZVIHCPSZJLCAF-LEWJYISDSA-N 1 3 329.532 4.098 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000054337871 1027300915 /nfs/dbraw/zinc/30/09/15/1027300915.db2.gz WAUVUWBEKQSNMQ-UHFFFAOYSA-N 1 3 331.891 4.052 20 0 EIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474814765 1027536751 /nfs/dbraw/zinc/53/67/51/1027536751.db2.gz DPGHMMAIHRQAML-SBJFKYEJSA-N 1 3 326.937 4.356 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1OC ZINC000474941546 1027809862 /nfs/dbraw/zinc/80/98/62/1027809862.db2.gz JLHHRLRTIZVMQR-KSZLIROESA-N 1 3 348.531 4.050 20 0 EIADHO Cc1cccc2nc(C3CC[NH+](CC[C@@H]4CCCCN4C)CC3)oc21 ZINC000444780295 1028043249 /nfs/dbraw/zinc/04/32/49/1028043249.db2.gz FSVBBTLLUBEHLF-SFHVURJKSA-N 1 3 341.499 4.190 20 0 EIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000162548496 1028079268 /nfs/dbraw/zinc/07/92/68/1028079268.db2.gz VQJCJNAHOFDSBO-ZDUSSCGKSA-N 1 3 338.904 4.193 20 0 EIADHO CCc1nc(C)c([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000162901285 1028530096 /nfs/dbraw/zinc/53/00/96/1028530096.db2.gz HIDUUYLYVYRGQE-HNNXBMFYSA-N 1 3 343.540 4.461 20 0 EIADHO Clc1ccc2c(c1)[C@H](NCc1cccc3c1CC[NH2+]C3)CCS2 ZINC000635011127 1028818933 /nfs/dbraw/zinc/81/89/33/1028818933.db2.gz PDAIAWJSMRIBBF-GOSISDBHSA-N 1 3 344.911 4.312 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000650758312 1029210079 /nfs/dbraw/zinc/21/00/79/1029210079.db2.gz NBRWAVSRFDEZFD-QGZVFWFLSA-N 1 3 335.278 4.490 20 0 EIADHO C[C@H](NCC(C)(C)C[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000475219544 1029452357 /nfs/dbraw/zinc/45/23/57/1029452357.db2.gz JQHFRWXYUAWFTH-HOTGVXAUSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000475219544 1029452364 /nfs/dbraw/zinc/45/23/64/1029452364.db2.gz JQHFRWXYUAWFTH-HOTGVXAUSA-N 1 3 345.556 4.500 20 0 EIADHO Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000168509248 1029488262 /nfs/dbraw/zinc/48/82/62/1029488262.db2.gz LKQMIDIMABTCPU-DLBZAZTESA-N 1 3 344.474 4.486 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000151625033 1029631978 /nfs/dbraw/zinc/63/19/78/1029631978.db2.gz YNKNFPYXGUDLJJ-FQEVSTJZSA-N 1 3 336.479 4.284 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000584140659 1029640495 /nfs/dbraw/zinc/64/04/95/1029640495.db2.gz SBADXBSZNSHYNR-DYESRHJHSA-N 1 3 338.495 4.134 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000584140659 1029640497 /nfs/dbraw/zinc/64/04/97/1029640497.db2.gz SBADXBSZNSHYNR-DYESRHJHSA-N 1 3 338.495 4.134 20 0 EIADHO C[C@H]1CC(N2CCC(C(F)F)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065798 1029711673 /nfs/dbraw/zinc/71/16/73/1029711673.db2.gz YGDUHVALNFCFQE-HOTGVXAUSA-N 1 3 336.470 4.405 20 0 EIADHO Cc1nc2ccc(Br)cc2c(NC2CC[NH+](C)CC2)c1C ZINC000301737071 1029801866 /nfs/dbraw/zinc/80/18/66/1029801866.db2.gz RRUSYNDAVXHJAS-UHFFFAOYSA-N 1 3 348.288 4.120 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)NCc1cscc1Br ZINC000302676842 1030247174 /nfs/dbraw/zinc/24/71/74/1030247174.db2.gz NVUSBYJQQMBYGW-LBPRGKRZSA-N 1 3 333.339 4.111 20 0 EIADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(F)cc3C(F)(F)F)C2)CC1 ZINC000685462795 1030342774 /nfs/dbraw/zinc/34/27/74/1030342774.db2.gz FLHPLUOTMCXRFE-AWEZNQCLSA-N 1 3 344.396 4.008 20 0 EIADHO C[C@@H]([NH2+]CCCCOc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000527354937 1030663696 /nfs/dbraw/zinc/66/36/96/1030663696.db2.gz OAFPUEYSCGKFCQ-RTBURBONSA-N 1 3 330.516 4.088 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(NCc2ccc3cc[nH]c3c2)CC1 ZINC000527637581 1030790808 /nfs/dbraw/zinc/79/08/08/1030790808.db2.gz JSNGFWIUKXQXPX-UHFFFAOYSA-N 1 3 333.479 4.231 20 0 EIADHO Cc1cc(CNCc2ccccc2C[N@@H+](C)C2CCCCC2)ccn1 ZINC000527643910 1030797584 /nfs/dbraw/zinc/79/75/84/1030797584.db2.gz YBQLHYLDIROWMS-UHFFFAOYSA-N 1 3 337.511 4.444 20 0 EIADHO Cc1cc(CNCc2ccccc2C[N@H+](C)C2CCCCC2)ccn1 ZINC000527643910 1030797603 /nfs/dbraw/zinc/79/76/03/1030797603.db2.gz YBQLHYLDIROWMS-UHFFFAOYSA-N 1 3 337.511 4.444 20 0 EIADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167702 1030864372 /nfs/dbraw/zinc/86/43/72/1030864372.db2.gz SZIMGQNHDXHXBD-MBSDFSHPSA-N 1 3 349.522 4.207 20 0 EIADHO CC(C)CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658166184 1030864385 /nfs/dbraw/zinc/86/43/85/1030864385.db2.gz MXPIGJBPADPPEN-OAQYLSRUSA-N 1 3 329.532 4.098 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H](C)c1ccccc1 ZINC000658168733 1030864535 /nfs/dbraw/zinc/86/45/35/1030864535.db2.gz YDWAEYOPHZOHAT-MOPGFXCFSA-N 1 3 337.511 4.075 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCCCC1 ZINC000658167556 1030865024 /nfs/dbraw/zinc/86/50/24/1030865024.db2.gz SSIDGNCMEVDILN-GOSISDBHSA-N 1 3 329.532 4.242 20 0 EIADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658168742 1030866308 /nfs/dbraw/zinc/86/63/08/1030866308.db2.gz YGVHGQVWWQPWAS-MRXNPFEDSA-N 1 3 329.513 4.014 20 0 EIADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000658168410 1030866478 /nfs/dbraw/zinc/86/64/78/1030866478.db2.gz WVNFJHVNUUIYHA-JTSKRJEESA-N 1 3 335.495 4.132 20 0 EIADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000237765484 1030869012 /nfs/dbraw/zinc/86/90/12/1030869012.db2.gz QRBVASJDWRKTQL-UHFFFAOYSA-N 1 3 332.875 4.243 20 0 EIADHO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000658255848 1030929949 /nfs/dbraw/zinc/92/99/49/1030929949.db2.gz WOSDQJHISCPTBZ-OALUTQOASA-N 1 3 334.548 4.109 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@H]2CCCOC2)ccc1OC ZINC000527930125 1030970869 /nfs/dbraw/zinc/97/08/69/1030970869.db2.gz PVHNLVVAKDDYHW-ZWKOTPCHSA-N 1 3 348.531 4.004 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000531346183 1031121294 /nfs/dbraw/zinc/12/12/94/1031121294.db2.gz KHYJGWCTBKNBCX-UHFFFAOYSA-N 1 3 326.887 4.074 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000531346183 1031121313 /nfs/dbraw/zinc/12/13/13/1031121313.db2.gz KHYJGWCTBKNBCX-UHFFFAOYSA-N 1 3 326.887 4.074 20 0 EIADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000171126894 1031186590 /nfs/dbraw/zinc/18/65/90/1031186590.db2.gz ZOGLPBXZPBLDCH-MRXNPFEDSA-N 1 3 330.447 4.007 20 0 EIADHO COc1cccc2c(C[NH2+]C3CCN(CC(C)C)CC3)cccc12 ZINC000449072061 1031426242 /nfs/dbraw/zinc/42/62/42/1031426242.db2.gz JCRPFXPDERJUTG-UHFFFAOYSA-N 1 3 326.484 4.058 20 0 EIADHO C[C@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)c2sccc21 ZINC000453094786 1031589851 /nfs/dbraw/zinc/58/98/51/1031589851.db2.gz SZDKZRZDUTVPIA-YJBOKZPZSA-N 1 3 344.524 4.417 20 0 EIADHO c1ccc2c(c1)SC[C@H]2CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449366933 1031660101 /nfs/dbraw/zinc/66/01/01/1031660101.db2.gz SZXGDHGISHSKSK-MRXNPFEDSA-N 1 3 330.541 4.263 20 0 EIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ncc(-c2ccccc2)n1C ZINC000453231791 1031752795 /nfs/dbraw/zinc/75/27/95/1031752795.db2.gz UGDZRXOFIISVFW-SFHVURJKSA-N 1 3 340.515 4.004 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453346495 1031873596 /nfs/dbraw/zinc/87/35/96/1031873596.db2.gz KJUNJEBNFSURMU-YCXXCVGLSA-N 1 3 334.891 4.077 20 0 EIADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1csc(-c2ccccc2F)n1 ZINC000453416385 1031951765 /nfs/dbraw/zinc/95/17/65/1031951765.db2.gz XMMUMLIGZXHUEB-AWEZNQCLSA-N 1 3 347.503 4.474 20 0 EIADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1csc(-c2ccccc2F)n1 ZINC000453416385 1031951776 /nfs/dbraw/zinc/95/17/76/1031951776.db2.gz XMMUMLIGZXHUEB-AWEZNQCLSA-N 1 3 347.503 4.474 20 0 EIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CC4CCSCC4)[C@@H]3C2)cc1 ZINC000512612344 1033492257 /nfs/dbraw/zinc/49/22/57/1033492257.db2.gz OMBCFARABUWQKZ-HBMCJLEFSA-N 1 3 344.568 4.020 20 0 EIADHO CCN1CC[C@H](C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000512800246 1033982531 /nfs/dbraw/zinc/98/25/31/1033982531.db2.gz YYCAAYSOQRXQIB-CQSZACIVSA-N 1 3 334.916 4.500 20 0 EIADHO C[C@H]1C[C@H](NCc2cc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513053791 1034372676 /nfs/dbraw/zinc/37/26/76/1034372676.db2.gz YIPUERXUFQKWHR-FXAWDEMLSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@H](NCc2cc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513053791 1034372696 /nfs/dbraw/zinc/37/26/96/1034372696.db2.gz YIPUERXUFQKWHR-FXAWDEMLSA-N 1 3 333.479 4.311 20 0 EIADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]C4CCSCC4)[C@H]3C2)cc1 ZINC000513683638 1035099910 /nfs/dbraw/zinc/09/99/10/1035099910.db2.gz LUBPYKMVIWMFOB-SESVDKBCSA-N 1 3 344.568 4.162 20 0 EIADHO CC(C)N1CCN(CCC[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000501005035 1035343312 /nfs/dbraw/zinc/34/33/12/1035343312.db2.gz CTUBBFDHVKKOFB-OAQYLSRUSA-N 1 3 345.575 4.170 20 0 EIADHO Brc1ccc([C@H]2CCCN2CC[C@H]2CCC[NH2+]C2)s1 ZINC000420372161 1035555429 /nfs/dbraw/zinc/55/54/29/1035555429.db2.gz LGSBFONKUOMVFO-CHWSQXEVSA-N 1 3 343.334 4.037 20 0 EIADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccncc1Cl ZINC000421831187 1036790299 /nfs/dbraw/zinc/79/02/99/1036790299.db2.gz DJKAUIZMBRFTIW-GTPINHCMSA-N 1 3 335.923 4.429 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000572712715 1036811636 /nfs/dbraw/zinc/81/16/36/1036811636.db2.gz YJJHZLRJULOQAC-XCRHUMRWSA-N 1 3 343.902 4.489 20 0 EIADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000589642041 1036858079 /nfs/dbraw/zinc/85/80/79/1036858079.db2.gz ZEUMBBCITINOLJ-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)C1 ZINC000589642041 1036858082 /nfs/dbraw/zinc/85/80/82/1036858082.db2.gz ZEUMBBCITINOLJ-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000589642041 1036858085 /nfs/dbraw/zinc/85/80/85/1036858085.db2.gz ZEUMBBCITINOLJ-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)C1 ZINC000589642041 1036858089 /nfs/dbraw/zinc/85/80/89/1036858089.db2.gz ZEUMBBCITINOLJ-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000503066012 1036888730 /nfs/dbraw/zinc/88/87/30/1036888730.db2.gz XLQSDUVZQMOIJO-INIZCTEOSA-N 1 3 340.433 4.369 20 0 EIADHO CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272298755 1037152360 /nfs/dbraw/zinc/15/23/60/1037152360.db2.gz GNLATBODLQRPQL-HBFSDRIKSA-N 1 3 340.515 4.025 20 0 EIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488434575 1037593121 /nfs/dbraw/zinc/59/31/21/1037593121.db2.gz JEAZSXIEQXQFOE-AABGKKOBSA-N 1 3 346.584 4.061 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000422718237 1037813353 /nfs/dbraw/zinc/81/33/53/1037813353.db2.gz PMSBLRFWBQWYJS-XOBRGWDASA-N 1 3 327.447 4.180 20 0 EIADHO CCSc1ccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422722890 1037816793 /nfs/dbraw/zinc/81/67/93/1037816793.db2.gz ZBXFOQKZDPZQGZ-KBPBESRZSA-N 1 3 329.513 4.373 20 0 EIADHO CCc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422741918 1037821924 /nfs/dbraw/zinc/82/19/24/1037821924.db2.gz FPGMCERHCOVOBM-SAWYMBPVSA-N 1 3 336.479 4.156 20 0 EIADHO CCC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422765898 1037834820 /nfs/dbraw/zinc/83/48/20/1037834820.db2.gz PRRYTCUECHCNKI-TUNNFDKTSA-N 1 3 336.479 4.373 20 0 EIADHO c1ccc2c(c1)cccc2CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924192 1037871656 /nfs/dbraw/zinc/87/16/56/1037871656.db2.gz YCVQWZXZVBAFHM-JTHBVZDNSA-N 1 3 344.458 4.185 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422917702 1037879006 /nfs/dbraw/zinc/87/90/06/1037879006.db2.gz FPTGOHCMEGEUTJ-GFCCVEGCSA-N 1 3 349.881 4.270 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000422986371 1037895426 /nfs/dbraw/zinc/89/54/26/1037895426.db2.gz CHNGZOJCUXJXRY-XQQGARBVSA-N 1 3 337.511 4.400 20 0 EIADHO Clc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c(Cl)c1 ZINC000423013610 1037901196 /nfs/dbraw/zinc/90/11/96/1037901196.db2.gz GIYANLPXGTUQLC-YIONKMFJSA-N 1 3 339.310 4.288 20 0 EIADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(C2CCC2)cc1 ZINC000423067839 1037933156 /nfs/dbraw/zinc/93/31/56/1037933156.db2.gz AGHPXJNQYUNESD-FYYLOGMGSA-N 1 3 348.490 4.300 20 0 EIADHO C[C@@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423082217 1037944453 /nfs/dbraw/zinc/94/44/53/1037944453.db2.gz WPUQIYRVBOMEOS-WNYOCNMUSA-N 1 3 342.870 4.247 20 0 EIADHO C[C@@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423082214 1037945070 /nfs/dbraw/zinc/94/50/70/1037945070.db2.gz WPUQIYRVBOMEOS-DJKXOVBDSA-N 1 3 342.870 4.247 20 0 EIADHO N[C@H]1C[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000423095217 1037953510 /nfs/dbraw/zinc/95/35/10/1037953510.db2.gz LQOVSEIZJIOQAA-MJGSYPLASA-N 1 3 330.834 4.402 20 0 EIADHO C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000423112410 1037987777 /nfs/dbraw/zinc/98/77/77/1037987777.db2.gz XNDUENAGSNDHIM-XGWLTEMNSA-N 1 3 326.406 4.134 20 0 EIADHO CCN(Cc1ccc(Oc2cccnc2)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000414720188 1038003934 /nfs/dbraw/zinc/00/39/34/1038003934.db2.gz XLLXKIFZYSJGIF-IBGZPJMESA-N 1 3 339.483 4.146 20 0 EIADHO C[C@@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423170476 1038024978 /nfs/dbraw/zinc/02/49/78/1038024978.db2.gz MDZNLDSIVONFDC-DJKXOVBDSA-N 1 3 342.870 4.247 20 0 EIADHO CCSc1ccc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423181472 1038033201 /nfs/dbraw/zinc/03/32/01/1038033201.db2.gz CXYPWNUSYKBOMJ-INIZCTEOSA-N 1 3 329.513 4.024 20 0 EIADHO FC(F)(F)c1cccc(C2CCC([NH2+]C3CCNCC3)CC2)c1 ZINC000423180126 1038033714 /nfs/dbraw/zinc/03/37/14/1038033714.db2.gz IECHHQCSMFDYLT-UHFFFAOYSA-N 1 3 326.406 4.073 20 0 EIADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423200052 1038051161 /nfs/dbraw/zinc/05/11/61/1038051161.db2.gz LNUVJOQKRRCOJX-HUUCEWRRSA-N 1 3 331.529 4.430 20 0 EIADHO Fc1ccc([C@@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423248550 1038080364 /nfs/dbraw/zinc/08/03/64/1038080364.db2.gz NIDLYUCAVUZDIU-AUUYWEPGSA-N 1 3 332.850 4.158 20 0 EIADHO Cc1nc(-c2cc([C@H](C)N[C@@H]3CCCC[C@@H]3C[NH3+])cs2)cs1 ZINC000423273773 1038099640 /nfs/dbraw/zinc/09/96/40/1038099640.db2.gz JIVDAJPVLUZTRN-NJZAAPMLSA-N 1 3 335.542 4.348 20 0 EIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(SCC(F)F)cc1 ZINC000423395186 1038201981 /nfs/dbraw/zinc/20/19/81/1038201981.db2.gz RUCWGOWXVUXIEG-ZDUSSCGKSA-N 1 3 348.462 4.498 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc2c1CCCN2 ZINC000423422167 1038210972 /nfs/dbraw/zinc/21/09/72/1038210972.db2.gz YKFWFZVBRHMVBX-XMSQKQJNSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc2c1CCCN2 ZINC000423422167 1038210997 /nfs/dbraw/zinc/21/09/97/1038210997.db2.gz YKFWFZVBRHMVBX-XMSQKQJNSA-N 1 3 349.522 4.045 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423405603 1038215133 /nfs/dbraw/zinc/21/51/33/1038215133.db2.gz YCYKHMIYOMEPSR-KNXALSJPSA-N 1 3 333.476 4.178 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423405605 1038216144 /nfs/dbraw/zinc/21/61/44/1038216144.db2.gz YCYKHMIYOMEPSR-XZJROXQQSA-N 1 3 333.476 4.178 20 0 EIADHO C[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)[C@H](C)N ZINC000423454649 1038254238 /nfs/dbraw/zinc/25/42/38/1038254238.db2.gz ZHRIHOYPAZFEAQ-WDMOLILDSA-N 1 3 335.904 4.166 20 0 EIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423513984 1038271145 /nfs/dbraw/zinc/27/11/45/1038271145.db2.gz WCAYHBXRBMDFFY-HNAYVOBHSA-N 1 3 329.463 4.023 20 0 EIADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000423519996 1038273892 /nfs/dbraw/zinc/27/38/92/1038273892.db2.gz VTUJVVITMJSKSM-ACWOFJMJSA-N 1 3 332.850 4.286 20 0 EIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(-c2ccccc2)nn1C ZINC000423521356 1038274981 /nfs/dbraw/zinc/27/49/81/1038274981.db2.gz SSFHYYXITKZPPY-PXNSSMCTSA-N 1 3 348.494 4.218 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000480763525 1038803983 /nfs/dbraw/zinc/80/39/83/1038803983.db2.gz WQDIHPYEQDJFEE-HZEGPAAWSA-N 1 3 336.564 4.213 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000480763525 1038803985 /nfs/dbraw/zinc/80/39/85/1038803985.db2.gz WQDIHPYEQDJFEE-HZEGPAAWSA-N 1 3 336.564 4.213 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201326 1038878111 /nfs/dbraw/zinc/87/81/11/1038878111.db2.gz WTWIIUSWZHCSHY-KBXCAEBGSA-N 1 3 340.433 4.478 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201326 1038878114 /nfs/dbraw/zinc/87/81/14/1038878114.db2.gz WTWIIUSWZHCSHY-KBXCAEBGSA-N 1 3 340.433 4.478 20 0 EIADHO C[NH+](C)C1CCC(N2CCSC[C@H]2c2cccc(Cl)c2)CC1 ZINC001168327561 1038898004 /nfs/dbraw/zinc/89/80/04/1038898004.db2.gz OQZBDRJLLGDFBC-ABHNRTSZSA-N 1 3 338.948 4.303 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2ccc(Br)cc2)C1 ZINC000481027708 1038969510 /nfs/dbraw/zinc/96/95/10/1038969510.db2.gz WRTCKLVHDILORN-PBHICJAKSA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2ccc(Br)cc2)C1 ZINC000481027708 1038969525 /nfs/dbraw/zinc/96/95/25/1038969525.db2.gz WRTCKLVHDILORN-PBHICJAKSA-N 1 3 339.321 4.222 20 0 EIADHO Cc1ccc(-c2ncc(CNCc3ccc([C@H](C)[NH3+])cc3)s2)cc1 ZINC000414801804 1038982579 /nfs/dbraw/zinc/98/25/79/1038982579.db2.gz APVAFGUIBYFTCF-HNNXBMFYSA-N 1 3 337.492 4.428 20 0 EIADHO CCCCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414806762 1039018832 /nfs/dbraw/zinc/01/88/32/1039018832.db2.gz ICSKWBAFDWSSDU-MRXNPFEDSA-N 1 3 342.483 4.184 20 0 EIADHO CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325249 1039293410 /nfs/dbraw/zinc/29/34/10/1039293410.db2.gz VBJJTDJWJMBBMT-YOEHRIQHSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325249 1039293428 /nfs/dbraw/zinc/29/34/28/1039293428.db2.gz VBJJTDJWJMBBMT-YOEHRIQHSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325249 1039293453 /nfs/dbraw/zinc/29/34/53/1039293453.db2.gz VBJJTDJWJMBBMT-YOEHRIQHSA-N 1 3 328.422 4.478 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415517 1039438404 /nfs/dbraw/zinc/43/84/04/1039438404.db2.gz CWESGZXCEOBIGX-KBPBESRZSA-N 1 3 345.314 4.145 20 0 EIADHO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC2CC2)CC1 ZINC000534690223 1039682914 /nfs/dbraw/zinc/68/29/14/1039682914.db2.gz FVBOMCIBMKHKSN-UHFFFAOYSA-N 1 3 326.406 4.012 20 0 EIADHO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC2CC2)CC1 ZINC000534690223 1039682941 /nfs/dbraw/zinc/68/29/41/1039682941.db2.gz FVBOMCIBMKHKSN-UHFFFAOYSA-N 1 3 326.406 4.012 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCCCc2ccccc21 ZINC000481742491 1039804972 /nfs/dbraw/zinc/80/49/72/1039804972.db2.gz LMJQBHPKOKOOKR-NRFANRHFSA-N 1 3 338.495 4.184 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000122964918 1039836859 /nfs/dbraw/zinc/83/68/59/1039836859.db2.gz QWAPDUASXBYUJB-AWEZNQCLSA-N 1 3 326.431 4.203 20 0 EIADHO Fc1ccc(-c2ccccc2CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168354089 1039878590 /nfs/dbraw/zinc/87/85/90/1039878590.db2.gz YQVKJXJUZFUISB-UHFFFAOYSA-N 1 3 338.470 4.457 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481925958 1039902321 /nfs/dbraw/zinc/90/23/21/1039902321.db2.gz NPJTUSBBKCEGNF-CVEARBPZSA-N 1 3 342.449 4.346 20 0 EIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436776 1040245618 /nfs/dbraw/zinc/24/56/18/1040245618.db2.gz JKFZVVXQHNJRHN-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000482436776 1040245638 /nfs/dbraw/zinc/24/56/38/1040245638.db2.gz JKFZVVXQHNJRHN-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436776 1040245654 /nfs/dbraw/zinc/24/56/54/1040245654.db2.gz JKFZVVXQHNJRHN-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000514820435 1040267753 /nfs/dbraw/zinc/26/77/53/1040267753.db2.gz MMJJLVIZNWDSHU-PXNSSMCTSA-N 1 3 343.559 4.300 20 0 EIADHO CC(C)(CC[NH+]1CCCCCC1)NCc1cc(-n2ccnc2)cs1 ZINC000479598929 1040498589 /nfs/dbraw/zinc/49/85/89/1040498589.db2.gz DFADGVLJTLBFGR-UHFFFAOYSA-N 1 3 346.544 4.068 20 0 EIADHO CCOCc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924638447 1040630678 /nfs/dbraw/zinc/63/06/78/1040630678.db2.gz JSPFPIYCTPSZBS-KRWDZBQOSA-N 1 3 326.484 4.136 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2C)[C@@H](C)C1 ZINC000483124214 1040718508 /nfs/dbraw/zinc/71/85/08/1040718508.db2.gz GJCOTELRKQFGFP-CUWPLCDZSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(C)c2C)[C@@H](C)C1 ZINC000483124214 1040718518 /nfs/dbraw/zinc/71/85/18/1040718518.db2.gz GJCOTELRKQFGFP-CUWPLCDZSA-N 1 3 332.532 4.091 20 0 EIADHO C[C@@H](c1cccc(Br)c1)N1CCC(CC[NH+](C)C)CC1 ZINC000483404593 1040837753 /nfs/dbraw/zinc/83/77/53/1040837753.db2.gz JNRBUVFOZYMOAQ-AWEZNQCLSA-N 1 3 339.321 4.174 20 0 EIADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485335 1040875201 /nfs/dbraw/zinc/87/52/01/1040875201.db2.gz RQPXRQZARCKAHI-CTNGQTDRSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485335 1040875205 /nfs/dbraw/zinc/87/52/05/1040875205.db2.gz RQPXRQZARCKAHI-CTNGQTDRSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485335 1040875215 /nfs/dbraw/zinc/87/52/15/1040875215.db2.gz RQPXRQZARCKAHI-CTNGQTDRSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3cccc4ccccc43)CC[C@@H]21 ZINC000483485335 1040875217 /nfs/dbraw/zinc/87/52/17/1040875217.db2.gz RQPXRQZARCKAHI-CTNGQTDRSA-N 1 3 338.495 4.025 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735972 1040990774 /nfs/dbraw/zinc/99/07/74/1040990774.db2.gz XOWGQNLGAYOVEB-VNHYZAJKSA-N 1 3 328.472 4.177 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735972 1040990796 /nfs/dbraw/zinc/99/07/96/1040990796.db2.gz XOWGQNLGAYOVEB-VNHYZAJKSA-N 1 3 328.472 4.177 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000484280791 1041184056 /nfs/dbraw/zinc/18/40/56/1041184056.db2.gz TXDAZEMWWUPJOA-OCCSQVGLSA-N 1 3 333.303 4.001 20 0 EIADHO C[C@H]1CC([NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@H](C)C1 ZINC000538297610 1041249275 /nfs/dbraw/zinc/24/92/75/1041249275.db2.gz WWTGKOCALYLKSG-MBOZVWFJSA-N 1 3 342.527 4.389 20 0 EIADHO [NH3+]Cc1ccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000566230095 1041402568 /nfs/dbraw/zinc/40/25/68/1041402568.db2.gz GSDBTRHPQPXRNF-UHFFFAOYSA-N 1 3 328.765 4.107 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000195138209 1041486770 /nfs/dbraw/zinc/48/67/70/1041486770.db2.gz NYQSPSIALCMJEX-AEFFLSMTSA-N 1 3 342.458 4.007 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000538738292 1041511238 /nfs/dbraw/zinc/51/12/38/1041511238.db2.gz LRPRUKRMVPGWLD-XLIONFOSSA-N 1 3 330.516 4.170 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)[C@H](C)C1 ZINC000538738292 1041511243 /nfs/dbraw/zinc/51/12/43/1041511243.db2.gz LRPRUKRMVPGWLD-XLIONFOSSA-N 1 3 330.516 4.170 20 0 EIADHO CCCOc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1OC ZINC000538751026 1041528626 /nfs/dbraw/zinc/52/86/26/1041528626.db2.gz LDYQUGWVLHEGAA-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO COc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962866 1041753731 /nfs/dbraw/zinc/75/37/31/1041753731.db2.gz XRCHRDRUYPJUDB-WIYYLYMNSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962866 1041753737 /nfs/dbraw/zinc/75/37/37/1041753737.db2.gz XRCHRDRUYPJUDB-WIYYLYMNSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)c1 ZINC000540962866 1041753751 /nfs/dbraw/zinc/75/37/51/1041753751.db2.gz XRCHRDRUYPJUDB-WIYYLYMNSA-N 1 3 338.495 4.004 20 0 EIADHO C[C@@H](Cc1ccsc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541234371 1041859709 /nfs/dbraw/zinc/85/97/09/1041859709.db2.gz DXGODMGBKMCXES-PXNSSMCTSA-N 1 3 328.525 4.133 20 0 EIADHO C[C@@H](Cc1ccsc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541234371 1041859712 /nfs/dbraw/zinc/85/97/12/1041859712.db2.gz DXGODMGBKMCXES-PXNSSMCTSA-N 1 3 328.525 4.133 20 0 EIADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000541908760 1042166013 /nfs/dbraw/zinc/16/60/13/1042166013.db2.gz NXOMZCBKWHEMJA-CQSZACIVSA-N 1 3 334.916 4.452 20 0 EIADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000541908760 1042166016 /nfs/dbraw/zinc/16/60/16/1042166016.db2.gz NXOMZCBKWHEMJA-CQSZACIVSA-N 1 3 334.916 4.452 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000426063892 1042247431 /nfs/dbraw/zinc/24/74/31/1042247431.db2.gz VTFZVTSWWVFMGN-CDHQVMDDSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+]1C ZINC000426063892 1042247442 /nfs/dbraw/zinc/24/74/42/1042247442.db2.gz VTFZVTSWWVFMGN-CDHQVMDDSA-N 1 3 343.902 4.091 20 0 EIADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2CCCO2)CC1 ZINC000439789397 1042768768 /nfs/dbraw/zinc/76/87/68/1042768768.db2.gz PKXGRTPVRGANEF-OAQYLSRUSA-N 1 3 344.543 4.036 20 0 EIADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2CCCO2)CC1 ZINC000439789397 1042768776 /nfs/dbraw/zinc/76/87/76/1042768776.db2.gz PKXGRTPVRGANEF-OAQYLSRUSA-N 1 3 344.543 4.036 20 0 EIADHO CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309707880 1042819621 /nfs/dbraw/zinc/81/96/21/1042819621.db2.gz IMPNKUCFLQEITC-WMZOPIPTSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707880 1042819623 /nfs/dbraw/zinc/81/96/23/1042819623.db2.gz IMPNKUCFLQEITC-WMZOPIPTSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707880 1042819628 /nfs/dbraw/zinc/81/96/28/1042819628.db2.gz IMPNKUCFLQEITC-WMZOPIPTSA-N 1 3 328.525 4.311 20 0 EIADHO C[C@H](N[C@H]1CCc2cc(F)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311145898 1042853878 /nfs/dbraw/zinc/85/38/78/1042853878.db2.gz ZLARZIMBKPEGNL-BPXKWBHBSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H](N[C@H]1CCc2cc(F)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311145898 1042853882 /nfs/dbraw/zinc/85/38/82/1042853882.db2.gz ZLARZIMBKPEGNL-BPXKWBHBSA-N 1 3 338.470 4.313 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000727465442 1043225842 /nfs/dbraw/zinc/22/58/42/1043225842.db2.gz HIUPNBAQDVBYET-UHFFFAOYSA-N 1 3 333.479 4.366 20 0 EIADHO CCOc1cccc2cc([C@H](C)[NH2+]CC[C@@H]3CCCCN3C)oc21 ZINC000543518912 1043236590 /nfs/dbraw/zinc/23/65/90/1043236590.db2.gz SSAQEGDKPNAMNN-RDJZCZTQSA-N 1 3 330.472 4.357 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CC2(CCOCc3ccccc3)CC2)CC1 ZINC000186374516 1043273782 /nfs/dbraw/zinc/27/37/82/1043273782.db2.gz AELHVNQOAYSJJH-UHFFFAOYSA-N 1 3 344.543 4.226 20 0 EIADHO CCC[N@H+](C)C[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674007999 1043285675 /nfs/dbraw/zinc/28/56/75/1043285675.db2.gz VODYWMWFEQKFOG-KRWDZBQOSA-N 1 3 342.449 4.302 20 0 EIADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674007999 1043285688 /nfs/dbraw/zinc/28/56/88/1043285688.db2.gz VODYWMWFEQKFOG-KRWDZBQOSA-N 1 3 342.449 4.302 20 0 EIADHO CC(C)[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000542487824 1043796591 /nfs/dbraw/zinc/79/65/91/1043796591.db2.gz HPTICCGNSLVHSQ-HNAYVOBHSA-N 1 3 345.487 4.085 20 0 EIADHO CCCCN1CCC([NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191505219 1043822726 /nfs/dbraw/zinc/82/27/26/1043822726.db2.gz IPJNIFMEHBQREQ-GOSISDBHSA-N 1 3 334.529 4.086 20 0 EIADHO Cc1ccncc1CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000658124402 1043839353 /nfs/dbraw/zinc/83/93/53/1043839353.db2.gz RLXCAHCAEVGEFP-UHFFFAOYSA-N 1 3 331.548 4.201 20 0 EIADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC000658168174 1043952278 /nfs/dbraw/zinc/95/22/78/1043952278.db2.gz ZWKNEMTZGKHLHU-JOCHJYFZSA-N 1 3 349.522 4.188 20 0 EIADHO Clc1csc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000193083145 1043998492 /nfs/dbraw/zinc/99/84/92/1043998492.db2.gz SYDAGSFTPDZDSG-MRXNPFEDSA-N 1 3 334.916 4.056 20 0 EIADHO C[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000542518625 1044451219 /nfs/dbraw/zinc/45/12/19/1044451219.db2.gz YAQCJYSMFXEDPK-NFBKMPQASA-N 1 3 336.523 4.019 20 0 EIADHO CCC[C@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000675815275 1044514750 /nfs/dbraw/zinc/51/47/50/1044514750.db2.gz AOJGPKRKCJBZFQ-UTKZUKDTSA-N 1 3 341.499 4.214 20 0 EIADHO C[C@@H](NCc1ccncc1OCC[NH+](C)C)c1cccc2ccccc21 ZINC000676052755 1044619032 /nfs/dbraw/zinc/61/90/32/1044619032.db2.gz PZRJRHKQFJXQBG-QGZVFWFLSA-N 1 3 349.478 4.026 20 0 EIADHO CC1([NH+]2CCCC2)CCC(NCc2ccnc(Cl)c2Cl)CC1 ZINC000922506415 1044791230 /nfs/dbraw/zinc/79/12/30/1044791230.db2.gz ZOBJYWZDCQPMRY-UHFFFAOYSA-N 1 3 342.314 4.275 20 0 EIADHO CC(C)[NH+]1CCC(N2CCC(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000469810405 1044877303 /nfs/dbraw/zinc/87/73/03/1044877303.db2.gz WYQCCORHCZQLPX-UHFFFAOYSA-N 1 3 336.470 4.092 20 0 EIADHO CC(C)Oc1cccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000769536615 1046012027 /nfs/dbraw/zinc/01/20/27/1046012027.db2.gz BXYRFZYOSUIWPE-UHFFFAOYSA-N 1 3 326.484 4.167 20 0 EIADHO C[C@@H]([NH3+])[C@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000261658762 1046131296 /nfs/dbraw/zinc/13/12/96/1046131296.db2.gz BLLDDEIDVFBFJL-QAPCUYQASA-N 1 3 344.449 4.156 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000162588606 1046368323 /nfs/dbraw/zinc/36/83/23/1046368323.db2.gz RHCPNDSSZKGVDI-HXUWFJFHSA-N 1 3 344.886 4.058 20 0 EIADHO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508723246 1046425257 /nfs/dbraw/zinc/42/52/57/1046425257.db2.gz WBJJWFWXQRAXMO-PKOBYXMFSA-N 1 3 338.470 4.315 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)s2)C[C@H]1C ZINC000536662000 1046632848 /nfs/dbraw/zinc/63/28/48/1046632848.db2.gz JXYWTJNXUBXDQY-CHWSQXEVSA-N 1 3 345.350 4.124 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)s2)C[C@H]1C ZINC000536662000 1046632854 /nfs/dbraw/zinc/63/28/54/1046632854.db2.gz JXYWTJNXUBXDQY-CHWSQXEVSA-N 1 3 345.350 4.124 20 0 EIADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000536777250 1046773686 /nfs/dbraw/zinc/77/36/86/1046773686.db2.gz QZPHIAKSIAOZFX-MRXNPFEDSA-N 1 3 349.588 4.431 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000536859338 1046826555 /nfs/dbraw/zinc/82/65/55/1046826555.db2.gz RZNWUVUMFNCUKQ-CEXWTWQISA-N 1 3 340.511 4.380 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497839061 1047115649 /nfs/dbraw/zinc/11/56/49/1047115649.db2.gz FTLPMRFFWXGHGJ-LAUBAEHRSA-N 1 3 330.491 4.472 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806131012 1047155591 /nfs/dbraw/zinc/15/55/91/1047155591.db2.gz GJCXVVCPACYAER-SFHVURJKSA-N 1 3 343.902 4.354 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](c2ccncc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000898321901 1047613641 /nfs/dbraw/zinc/61/36/41/1047613641.db2.gz DVUOAAQTSMSZTB-ZPMCFJSWSA-N 1 3 335.495 4.175 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](c2ccncc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000898321901 1047613659 /nfs/dbraw/zinc/61/36/59/1047613659.db2.gz DVUOAAQTSMSZTB-ZPMCFJSWSA-N 1 3 335.495 4.175 20 0 EIADHO Cc1ccc2c(C[N@H+]3CCCC[C@H]3C[C@@H]3CCCN3C)c[nH]c2c1 ZINC001136974962 1048005620 /nfs/dbraw/zinc/00/56/20/1048005620.db2.gz UODJLYRFOATTPF-OALUTQOASA-N 1 3 325.500 4.315 20 0 EIADHO Cc1ccc2c(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCCN3C)c[nH]c2c1 ZINC001136974962 1048005640 /nfs/dbraw/zinc/00/56/40/1048005640.db2.gz UODJLYRFOATTPF-OALUTQOASA-N 1 3 325.500 4.315 20 0 EIADHO CN(Cc1cncc(Cl)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001136996420 1048048393 /nfs/dbraw/zinc/04/83/93/1048048393.db2.gz HQIWNUOFMUMHMH-UHFFFAOYSA-N 1 3 343.902 4.079 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171113058 1048249776 /nfs/dbraw/zinc/24/97/76/1048249776.db2.gz ZKCBHWKJZVSIDO-IBGZPJMESA-N 1 3 334.935 4.440 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@@H]3CC3(Cl)Cl)C2)s1 ZINC000844327410 1048286746 /nfs/dbraw/zinc/28/67/46/1048286746.db2.gz CIFRSXNLMBQUAK-KGLIPLIRSA-N 1 3 347.355 4.004 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@@H]3CC3(Cl)Cl)C2)s1 ZINC000844327410 1048286756 /nfs/dbraw/zinc/28/67/56/1048286756.db2.gz CIFRSXNLMBQUAK-KGLIPLIRSA-N 1 3 347.355 4.004 20 0 EIADHO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OC)c(CN(CC)CC)c2)CCO1 ZINC000817586689 1049018640 /nfs/dbraw/zinc/01/86/40/1049018640.db2.gz QCCWXQRRBTVELF-NSISKUIASA-N 1 3 348.531 4.145 20 0 EIADHO Cc1ccc(C)c([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817894614 1049054278 /nfs/dbraw/zinc/05/42/78/1049054278.db2.gz NLLVCODARRYFIL-RBDMOPTHSA-N 1 3 336.479 4.210 20 0 EIADHO COc1c(C)cc([C@H](C)NCc2ccc(CC[NH3+])cc2)cc1Cl ZINC000817948801 1049065338 /nfs/dbraw/zinc/06/53/38/1049065338.db2.gz LNYQRFVBFVOJRG-AWEZNQCLSA-N 1 3 332.875 4.009 20 0 EIADHO Cc1c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1-c1ccccc1 ZINC000817981780 1049076587 /nfs/dbraw/zinc/07/65/87/1049076587.db2.gz NPORQOQAJFWIML-VGOFRKELSA-N 1 3 348.494 4.312 20 0 EIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000817982286 1049077541 /nfs/dbraw/zinc/07/75/41/1049077541.db2.gz QWRZERFNXDURNX-UTKZUKDTSA-N 1 3 334.467 4.003 20 0 EIADHO COc1ccc(CC(C)(C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171627020 1049769925 /nfs/dbraw/zinc/76/99/25/1049769925.db2.gz IZQOZLNTPTVPNI-UHFFFAOYSA-N 1 3 332.532 4.257 20 0 EIADHO COc1cccc([C@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641329 1049778970 /nfs/dbraw/zinc/77/89/70/1049778970.db2.gz OVMQNEQJSJFDNV-KRWDZBQOSA-N 1 3 330.516 4.136 20 0 EIADHO COc1cccc([C@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)c1 ZINC001171641329 1049778978 /nfs/dbraw/zinc/77/89/78/1049778978.db2.gz OVMQNEQJSJFDNV-KRWDZBQOSA-N 1 3 330.516 4.136 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccc(O)c1 ZINC001171967888 1049828219 /nfs/dbraw/zinc/82/82/19/1049828219.db2.gz NXPATKNCGAOEEB-FXAWDEMLSA-N 1 3 338.495 4.486 20 0 EIADHO CC1(C)C[C@@H](NCCOC2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977208 1049836819 /nfs/dbraw/zinc/83/68/19/1049836819.db2.gz YORZTVBXUWGHEV-FQEVSTJZSA-N 1 3 344.543 4.369 20 0 EIADHO CC1(C)C[C@@H](NCCOC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977208 1049836821 /nfs/dbraw/zinc/83/68/21/1049836821.db2.gz YORZTVBXUWGHEV-FQEVSTJZSA-N 1 3 344.543 4.369 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001172127731 1049853827 /nfs/dbraw/zinc/85/38/27/1049853827.db2.gz LFFHMQPUOPSZTD-SFNKJDCFSA-N 1 3 338.499 4.039 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3ccccc3nc1[C@H]1CCCCN1)C2 ZINC001172127731 1049853830 /nfs/dbraw/zinc/85/38/30/1049853830.db2.gz LFFHMQPUOPSZTD-SFNKJDCFSA-N 1 3 338.499 4.039 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001172206331 1049864376 /nfs/dbraw/zinc/86/43/76/1049864376.db2.gz ONPOOHUOZSJKIU-IPMKNSEASA-N 1 3 330.541 4.042 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001172206331 1049864378 /nfs/dbraw/zinc/86/43/78/1049864378.db2.gz ONPOOHUOZSJKIU-IPMKNSEASA-N 1 3 330.541 4.042 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](CC2CCC2)c2ccc(F)cc2)CC1 ZINC001172248842 1049871938 /nfs/dbraw/zinc/87/19/38/1049871938.db2.gz QDIQQMDHZOQXAE-NRFANRHFSA-N 1 3 348.506 4.148 20 0 EIADHO CCN(Cc1ccccc1)C1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172467484 1049919898 /nfs/dbraw/zinc/91/98/98/1049919898.db2.gz GXIJKOSJVFWSGZ-HXUWFJFHSA-N 1 3 346.559 4.424 20 0 EIADHO CCN(Cc1ccccc1)C1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172467483 1049920063 /nfs/dbraw/zinc/92/00/63/1049920063.db2.gz GXIJKOSJVFWSGZ-FQEVSTJZSA-N 1 3 346.559 4.424 20 0 EIADHO FC1CC[NH+](C2CCN([C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001172565125 1049936014 /nfs/dbraw/zinc/93/60/14/1049936014.db2.gz RMQVGTWXXGCUSB-NQIIRXRSSA-N 1 3 330.491 4.221 20 0 EIADHO Cc1cncc([C@@H](C)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000248754474 1050076118 /nfs/dbraw/zinc/07/61/18/1050076118.db2.gz UWRVKOANJQPJJY-IEBWSBKVSA-N 1 3 337.511 4.473 20 0 EIADHO Cc1cncc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000248754474 1050076129 /nfs/dbraw/zinc/07/61/29/1050076129.db2.gz UWRVKOANJQPJJY-IEBWSBKVSA-N 1 3 337.511 4.473 20 0 EIADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)CC2 ZINC001172840140 1050179990 /nfs/dbraw/zinc/17/99/90/1050179990.db2.gz ZRTDEOJAJVJMON-XXBNENTESA-N 1 3 338.539 4.263 20 0 EIADHO CC1([NH+]2CCCC2)CCN(C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173206959 1050365673 /nfs/dbraw/zinc/36/56/73/1050365673.db2.gz WPWZXPKHJMTIBN-UHFFFAOYSA-N 1 3 342.527 4.327 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2cccc(F)c2F)C[N@@H+]1Cc1ccccc1 ZINC001178208289 1050403138 /nfs/dbraw/zinc/40/31/38/1050403138.db2.gz KYQLEIDDVKHLAH-SJLPKXTDSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2cccc(F)c2F)C[N@H+]1Cc1ccccc1 ZINC001178208289 1050403150 /nfs/dbraw/zinc/40/31/50/1050403150.db2.gz KYQLEIDDVKHLAH-SJLPKXTDSA-N 1 3 344.449 4.355 20 0 EIADHO C1CCC2(CC1)CCC[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001173342829 1050432138 /nfs/dbraw/zinc/43/21/38/1050432138.db2.gz FLQQQUXVDDLVKU-UFYCRDLUSA-N 1 3 334.548 4.113 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2c1CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001178331333 1050437418 /nfs/dbraw/zinc/43/74/18/1050437418.db2.gz QCNMOXNMEMRELY-GCJKJVERSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@@H](NCc1cccc2c1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178331333 1050437424 /nfs/dbraw/zinc/43/74/24/1050437424.db2.gz QCNMOXNMEMRELY-GCJKJVERSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@@H](NCc1cccc2c1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178331333 1050437436 /nfs/dbraw/zinc/43/74/36/1050437436.db2.gz QCNMOXNMEMRELY-GCJKJVERSA-N 1 3 334.507 4.176 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)cs2)C1 ZINC000253355223 1050455154 /nfs/dbraw/zinc/45/51/54/1050455154.db2.gz FBVDPBPAPAFXNI-OLZOCXBDSA-N 1 3 345.350 4.282 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173549694 1050485923 /nfs/dbraw/zinc/48/59/23/1050485923.db2.gz IFRAEYXVJVMOGN-JCKWVBRZSA-N 1 3 341.326 4.198 20 0 EIADHO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1Oc1ccccc1 ZINC001206209688 1050535800 /nfs/dbraw/zinc/53/58/00/1050535800.db2.gz IBHJEAWSWLQLRE-MOPGFXCFSA-N 1 3 328.431 4.049 20 0 EIADHO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1Oc1ccccc1 ZINC001206209688 1050535815 /nfs/dbraw/zinc/53/58/15/1050535815.db2.gz IBHJEAWSWLQLRE-MOPGFXCFSA-N 1 3 328.431 4.049 20 0 EIADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001180302565 1050945515 /nfs/dbraw/zinc/94/55/15/1050945515.db2.gz ZLYNMXDPUBINFN-BRKWEVRTSA-N 1 3 326.528 4.455 20 0 EIADHO C[C@@H](C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)N1CCCC1 ZINC001180586672 1051044339 /nfs/dbraw/zinc/04/43/39/1051044339.db2.gz UBNQVICVJOBINU-HNNXBMFYSA-N 1 3 328.481 4.056 20 0 EIADHO COc1ccc([C@H](C)[NH2+]CCc2ccco2)cc1CN1CCCCC1 ZINC000775367154 1051136816 /nfs/dbraw/zinc/13/68/16/1051136816.db2.gz WQWLIHCANQXWAW-KRWDZBQOSA-N 1 3 342.483 4.167 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)SC)ccc1OC ZINC000775398217 1051230594 /nfs/dbraw/zinc/23/05/94/1051230594.db2.gz XZXAXSMOOXQRTD-HNNXBMFYSA-N 1 3 338.561 4.329 20 0 EIADHO CCCCN(C[C@H](O)c1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984961 1051304874 /nfs/dbraw/zinc/30/48/74/1051304874.db2.gz ULLHVZLUGLABHI-IBGZPJMESA-N 1 3 332.532 4.131 20 0 EIADHO COc1ccccc1CCCN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175353384 1051545860 /nfs/dbraw/zinc/54/58/60/1051545860.db2.gz XTWGFBNHNKMHFH-OAQYLSRUSA-N 1 3 344.543 4.214 20 0 EIADHO COc1ccccc1CCC[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001175353384 1051545863 /nfs/dbraw/zinc/54/58/63/1051545863.db2.gz XTWGFBNHNKMHFH-OAQYLSRUSA-N 1 3 344.543 4.214 20 0 EIADHO COc1ccccc1CCC[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001175353384 1051545883 /nfs/dbraw/zinc/54/58/83/1051545883.db2.gz XTWGFBNHNKMHFH-OAQYLSRUSA-N 1 3 344.543 4.214 20 0 EIADHO COc1ccccc1CCCN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175353383 1051546075 /nfs/dbraw/zinc/54/60/75/1051546075.db2.gz XTWGFBNHNKMHFH-NRFANRHFSA-N 1 3 344.543 4.214 20 0 EIADHO COc1ccccc1CCC[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001175353383 1051546082 /nfs/dbraw/zinc/54/60/82/1051546082.db2.gz XTWGFBNHNKMHFH-NRFANRHFSA-N 1 3 344.543 4.214 20 0 EIADHO COc1ccccc1CCC[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001175353383 1051546089 /nfs/dbraw/zinc/54/60/89/1051546089.db2.gz XTWGFBNHNKMHFH-NRFANRHFSA-N 1 3 344.543 4.214 20 0 EIADHO c1ccc(CN2CC=C(Nc3c[nH+]ccc3N3CCCCC3)CC2)cc1 ZINC001175504824 1051636254 /nfs/dbraw/zinc/63/62/54/1051636254.db2.gz FUNVZJNRHORMOR-UHFFFAOYSA-N 1 3 348.494 4.274 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158098402 1051710499 /nfs/dbraw/zinc/71/04/99/1051710499.db2.gz HVYGODQRFLCXCG-DZGCQCFKSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158098402 1051710513 /nfs/dbraw/zinc/71/05/13/1051710513.db2.gz HVYGODQRFLCXCG-DZGCQCFKSA-N 1 3 347.503 4.250 20 0 EIADHO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001183095480 1051785600 /nfs/dbraw/zinc/78/56/00/1051785600.db2.gz QFQVCZGBMOYIHX-HKUYNNGSSA-N 1 3 339.527 4.201 20 0 EIADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(SCC(F)(F)F)cc2)CC1 ZINC000159262825 1051964742 /nfs/dbraw/zinc/96/47/42/1051964742.db2.gz UKGVUDQIMQHDPF-ZDUSSCGKSA-N 1 3 346.462 4.476 20 0 EIADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000159280430 1051968907 /nfs/dbraw/zinc/96/89/07/1051968907.db2.gz OJWNBLIAQGIGJL-KRWDZBQOSA-N 1 3 338.495 4.497 20 0 EIADHO CC[NH+]1CCC(N[C@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000159306014 1051974262 /nfs/dbraw/zinc/97/42/62/1051974262.db2.gz YBNNYZJMNOIRLO-WBMJQRKESA-N 1 3 337.305 4.071 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3ccc(OC)cc32)c1 ZINC000163549479 1051996151 /nfs/dbraw/zinc/99/61/51/1051996151.db2.gz XOMGXDCUJPLZOT-QFIPXVFZSA-N 1 3 338.495 4.314 20 0 EIADHO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000164476883 1052031530 /nfs/dbraw/zinc/03/15/30/1052031530.db2.gz WNRNRHCHQOVEAL-KRWDZBQOSA-N 1 3 340.515 4.096 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000164476883 1052031542 /nfs/dbraw/zinc/03/15/42/1052031542.db2.gz WNRNRHCHQOVEAL-KRWDZBQOSA-N 1 3 340.515 4.096 20 0 EIADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000073649759 1052132916 /nfs/dbraw/zinc/13/29/16/1052132916.db2.gz UKDSKMRPUKSGED-QGZVFWFLSA-N 1 3 342.458 4.151 20 0 EIADHO C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000178087769 1052697908 /nfs/dbraw/zinc/69/79/08/1052697908.db2.gz FSEGMWQZFVOECQ-VFNWGFHPSA-N 1 3 342.458 4.104 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178258011 1052703829 /nfs/dbraw/zinc/70/38/29/1052703829.db2.gz IZQFQBYIKNCSMB-CYBMUJFWSA-N 1 3 342.405 4.110 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000179398998 1052734262 /nfs/dbraw/zinc/73/42/62/1052734262.db2.gz BDLWQMDMRASILX-GOSISDBHSA-N 1 3 337.511 4.199 20 0 EIADHO CCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cc(C)sc1C ZINC000623884930 1052833534 /nfs/dbraw/zinc/83/35/34/1052833534.db2.gz MWCUOCCPTNLJRC-LJQANCHMSA-N 1 3 338.561 4.297 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120222 1052867324 /nfs/dbraw/zinc/86/73/24/1052867324.db2.gz UPLSCUDDTUKNME-PBHICJAKSA-N 1 3 326.431 4.061 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000624121278 1052867764 /nfs/dbraw/zinc/86/77/64/1052867764.db2.gz SCYUWCGFGVJXEN-JYJNAYRXSA-N 1 3 331.529 4.110 20 0 EIADHO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)oc21 ZINC000624122397 1052868552 /nfs/dbraw/zinc/86/85/52/1052868552.db2.gz QJUCJAJSSBETOF-CVEARBPZSA-N 1 3 330.472 4.214 20 0 EIADHO COc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)ccc1C ZINC000194266605 1053037914 /nfs/dbraw/zinc/03/79/14/1053037914.db2.gz XXYMYOXNBCXWML-UHFFFAOYSA-N 1 3 326.484 4.134 20 0 EIADHO COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1C ZINC000194266605 1053037915 /nfs/dbraw/zinc/03/79/15/1053037915.db2.gz XXYMYOXNBCXWML-UHFFFAOYSA-N 1 3 326.484 4.134 20 0 EIADHO c1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C2CCCC2)c1 ZINC000850135862 1053075020 /nfs/dbraw/zinc/07/50/20/1053075020.db2.gz RTFJKECQTFNMQN-QFIPXVFZSA-N 1 3 342.527 4.077 20 0 EIADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000865830384 1053602010 /nfs/dbraw/zinc/60/20/10/1053602010.db2.gz MAVYYFBEUVWZIV-KURKYZTESA-N 1 3 336.907 4.023 20 0 EIADHO C[N@H+]1CC[C@@H](N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC000865830384 1053602019 /nfs/dbraw/zinc/60/20/19/1053602019.db2.gz MAVYYFBEUVWZIV-KURKYZTESA-N 1 3 336.907 4.023 20 0 EIADHO C[C@@H](CCc1cccnc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000866249541 1053665727 /nfs/dbraw/zinc/66/57/27/1053665727.db2.gz LEWOCYYDSGSJFB-SFHVURJKSA-N 1 3 329.532 4.037 20 0 EIADHO COc1cccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000386321887 1053680353 /nfs/dbraw/zinc/68/03/53/1053680353.db2.gz IPTNWEZEEYDFEY-NRFANRHFSA-N 1 3 338.495 4.087 20 0 EIADHO CCCC[N@H+](CCCCn1ccnc1C)C1CC(C)(C)NC(C)(C)C1 ZINC001196545910 1053696920 /nfs/dbraw/zinc/69/69/20/1053696920.db2.gz UOEQNFSCEFPSLP-UHFFFAOYSA-N 1 3 348.579 4.383 20 0 EIADHO CCCC[N@@H+](CCCCn1ccnc1C)C1CC(C)(C)NC(C)(C)C1 ZINC001196545910 1053696926 /nfs/dbraw/zinc/69/69/26/1053696926.db2.gz UOEQNFSCEFPSLP-UHFFFAOYSA-N 1 3 348.579 4.383 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515148 1053853409 /nfs/dbraw/zinc/85/34/09/1053853409.db2.gz AYHXBRLUSRFHAI-UTKZUKDTSA-N 1 3 326.459 4.041 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515148 1053853421 /nfs/dbraw/zinc/85/34/21/1053853421.db2.gz AYHXBRLUSRFHAI-UTKZUKDTSA-N 1 3 326.459 4.041 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515145 1053853587 /nfs/dbraw/zinc/85/35/87/1053853587.db2.gz AYHXBRLUSRFHAI-DYESRHJHSA-N 1 3 326.459 4.041 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515145 1053853591 /nfs/dbraw/zinc/85/35/91/1053853591.db2.gz AYHXBRLUSRFHAI-DYESRHJHSA-N 1 3 326.459 4.041 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000429522087 1053960143 /nfs/dbraw/zinc/96/01/43/1053960143.db2.gz SHSLCSGVHHYLPI-LKUPVBHCSA-N 1 3 326.459 4.182 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000429522087 1053960156 /nfs/dbraw/zinc/96/01/56/1053960156.db2.gz SHSLCSGVHHYLPI-LKUPVBHCSA-N 1 3 326.459 4.182 20 0 EIADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026248 1054059127 /nfs/dbraw/zinc/05/91/27/1054059127.db2.gz BPFQQULXDYHFPO-LSDHHAIUSA-N 1 3 340.433 4.156 20 0 EIADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026248 1054059137 /nfs/dbraw/zinc/05/91/37/1054059137.db2.gz BPFQQULXDYHFPO-LSDHHAIUSA-N 1 3 340.433 4.156 20 0 EIADHO CCNc1ccccc1CNCc1ccc(C[NH+](CC)CC)cc1 ZINC001199027999 1054336182 /nfs/dbraw/zinc/33/61/82/1054336182.db2.gz NFVXNWOQISEJGK-UHFFFAOYSA-N 1 3 325.500 4.250 20 0 EIADHO CCSc1ccc([C@H](C)NCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873213027 1054509499 /nfs/dbraw/zinc/50/94/99/1054509499.db2.gz UPSDARIPYICXOX-ZDUSSCGKSA-N 1 3 332.538 4.357 20 0 EIADHO c1c2ccccc2oc1[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000873266070 1054517199 /nfs/dbraw/zinc/51/71/99/1054517199.db2.gz ZMHSEWJISSNBSE-AKYGZRSFSA-N 1 3 347.462 4.037 20 0 EIADHO CC(C)(C)c1csc(CNC2CCC([NH+]3CCCCC3)CC2)n1 ZINC001200880361 1054565941 /nfs/dbraw/zinc/56/59/41/1054565941.db2.gz SDAUHOUHQGMPEZ-UHFFFAOYSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3cnccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379619224 1060137925 /nfs/dbraw/zinc/13/79/25/1060137925.db2.gz BFNASELXOMSVQN-FDDCHVKYSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3cnccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379619224 1060137930 /nfs/dbraw/zinc/13/79/30/1060137930.db2.gz BFNASELXOMSVQN-FDDCHVKYSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2cnccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000388982830 1060282076 /nfs/dbraw/zinc/28/20/76/1060282076.db2.gz RCJPPVGROIXVEJ-MBSDFSHPSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2cnccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388982830 1060282084 /nfs/dbraw/zinc/28/20/84/1060282084.db2.gz RCJPPVGROIXVEJ-MBSDFSHPSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2cnccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388982830 1060282106 /nfs/dbraw/zinc/28/21/06/1060282106.db2.gz RCJPPVGROIXVEJ-MBSDFSHPSA-N 1 3 345.490 4.235 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@@H]1c1ccc(-c3cccc(O)c3)cc1)C2 ZINC001169109083 1060657845 /nfs/dbraw/zinc/65/78/45/1060657845.db2.gz YBGVCJQYRYJDQB-FQVVGKCUSA-N 1 3 348.490 4.130 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@@H]1c1ccc(-c3cccc(O)c3)cc1)C2 ZINC001169109083 1060657848 /nfs/dbraw/zinc/65/78/48/1060657848.db2.gz YBGVCJQYRYJDQB-FQVVGKCUSA-N 1 3 348.490 4.130 20 0 EIADHO CN1CCCC[C@@H]1c1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc1 ZINC001169141810 1060663203 /nfs/dbraw/zinc/66/32/03/1060663203.db2.gz KWSLKQMCLDDPLD-UEXGIBASSA-N 1 3 344.547 4.194 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3nc4ccccc4s3)CC1)C2 ZINC001169142403 1060663723 /nfs/dbraw/zinc/66/37/23/1060663723.db2.gz UDWPWWFHCNBERN-BJWYYQGGSA-N 1 3 341.524 4.101 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(c3nc4ccccc4s3)CC1)C2 ZINC001169142403 1060663727 /nfs/dbraw/zinc/66/37/27/1060663727.db2.gz UDWPWWFHCNBERN-BJWYYQGGSA-N 1 3 341.524 4.101 20 0 EIADHO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298246603 519781847 /nfs/dbraw/zinc/78/18/47/519781847.db2.gz CZDIKVSLOYNNEH-KRWDZBQOSA-N 1 3 339.483 4.188 20 0 EIADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1OC(F)F ZINC000298447645 525295445 /nfs/dbraw/zinc/29/54/45/525295445.db2.gz NUDKSOQDRWUGQC-AWEZNQCLSA-N 1 3 347.409 4.003 20 0 EIADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1OC(F)F ZINC000298447658 525404511 /nfs/dbraw/zinc/40/45/11/525404511.db2.gz NUDKSOQDRWUGQC-CQSZACIVSA-N 1 3 347.409 4.003 20 0 EIADHO COc1ccc2cc(C[NH2+]C3CCN(C(C)(C)C)CC3)ccc2c1 ZINC000119859871 525631085 /nfs/dbraw/zinc/63/10/85/525631085.db2.gz YIVRDRBDXJNIMD-UHFFFAOYSA-N 1 3 326.484 4.201 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)s2)cc1 ZINC000532249385 1032111205 /nfs/dbraw/zinc/11/12/05/1032111205.db2.gz WYXNNSZKMKCTEY-ZRGWGRIASA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)s2)cc1 ZINC000532249385 1032111227 /nfs/dbraw/zinc/11/12/27/1032111227.db2.gz WYXNNSZKMKCTEY-ZRGWGRIASA-N 1 3 344.524 4.242 20 0 EIADHO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC[C@@H]2CCCCN2C)CC1 ZINC000532726848 1032279012 /nfs/dbraw/zinc/27/90/12/1032279012.db2.gz GPYQFUPCQCROKB-IBGZPJMESA-N 1 3 337.511 4.440 20 0 EIADHO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC[C@@H]2CCCCN2C)CC1 ZINC000532726848 1032279033 /nfs/dbraw/zinc/27/90/33/1032279033.db2.gz GPYQFUPCQCROKB-IBGZPJMESA-N 1 3 337.511 4.440 20 0 EIADHO Clc1ccccc1CN1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001203384683 1018826980 /nfs/dbraw/zinc/82/69/80/1018826980.db2.gz FNMNPZAFTUFELE-UHFFFAOYSA-N 1 3 340.898 4.438 20 0 EIADHO c1sc(CNCCCCC[NH+]2CCCC2)nc1-c1ccccc1 ZINC000339498299 1019002156 /nfs/dbraw/zinc/00/21/56/1019002156.db2.gz KLPWMKPDMZXXPL-UHFFFAOYSA-N 1 3 329.513 4.166 20 0 EIADHO Cc1csc([C@H](C)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274735592 1019087432 /nfs/dbraw/zinc/08/74/32/1019087432.db2.gz DAOHAAWPIFJESE-SUMDDJOVSA-N 1 3 343.540 4.055 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000340471391 1021078554 /nfs/dbraw/zinc/07/85/54/1021078554.db2.gz WJIZFGCZRKDVEF-NRFANRHFSA-N 1 3 338.495 4.401 20 0 EIADHO c1cc(CNCc2ccc3cnccc3c2)cc(C[NH+]2CCCC2)c1 ZINC000683765677 1021385347 /nfs/dbraw/zinc/38/53/47/1021385347.db2.gz XPADRIQOQNLMNO-UHFFFAOYSA-N 1 3 331.463 4.120 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000422841877 1021647811 /nfs/dbraw/zinc/64/78/11/1021647811.db2.gz XAHGTZMFMGYEHR-KUHUBIRLSA-N 1 3 329.463 4.426 20 0 EIADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)CCO2 ZINC000160470225 1021883054 /nfs/dbraw/zinc/88/30/54/1021883054.db2.gz ZYZKZJCDUKLPLC-HXUWFJFHSA-N 1 3 328.500 4.069 20 0 EIADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184747 1022061622 /nfs/dbraw/zinc/06/16/22/1022061622.db2.gz OGHHKRXIAGNJHC-JKSUJKDBSA-N 1 3 329.513 4.193 20 0 EIADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184747 1022061635 /nfs/dbraw/zinc/06/16/35/1022061635.db2.gz OGHHKRXIAGNJHC-JKSUJKDBSA-N 1 3 329.513 4.193 20 0 EIADHO FC(F)(F)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047969283 1022288804 /nfs/dbraw/zinc/28/88/04/1022288804.db2.gz QZHODIWKEIXIGW-UHFFFAOYSA-N 1 3 326.406 4.013 20 0 EIADHO c1sc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000647542955 1022778681 /nfs/dbraw/zinc/77/86/81/1022778681.db2.gz FGGLESDVRQDVKT-ROUUACIJSA-N 1 3 341.524 4.022 20 0 EIADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423366126 1022860189 /nfs/dbraw/zinc/86/01/89/1022860189.db2.gz BNTRYFRKQOARBS-FPMFFAJLSA-N 1 3 332.435 4.262 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000545461203 1022870582 /nfs/dbraw/zinc/87/05/82/1022870582.db2.gz SEMYOSDJWXHMQS-CDHQVMDDSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000545461203 1022870589 /nfs/dbraw/zinc/87/05/89/1022870589.db2.gz SEMYOSDJWXHMQS-CDHQVMDDSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000624120499 1023086451 /nfs/dbraw/zinc/08/64/51/1023086451.db2.gz ALQHHGVSMURXMY-GJZGRUSLSA-N 1 3 344.421 4.010 20 0 EIADHO CC[NH+]1CCC(N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000581577625 1023380679 /nfs/dbraw/zinc/38/06/79/1023380679.db2.gz NGMZFHGXLGWLRU-QFIPXVFZSA-N 1 3 338.495 4.053 20 0 EIADHO C[C@H](CCC[NH3+])NCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000415015659 1023391500 /nfs/dbraw/zinc/39/15/00/1023391500.db2.gz BBJQWCLMUXEXCO-SNVBAGLBSA-N 1 3 344.311 4.334 20 0 EIADHO c1ccc([C@@H]2C[C@@H](NCCOc3ccc4ccccc4c3)CC[NH2+]2)cc1 ZINC000415086975 1023436621 /nfs/dbraw/zinc/43/66/21/1023436621.db2.gz SJQINOZRQMWVLN-GMAHTHKFSA-N 1 3 346.474 4.302 20 0 EIADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](N)CC(C)C)s2)cc1 ZINC000415096616 1023441244 /nfs/dbraw/zinc/44/12/44/1023441244.db2.gz BTOWOFXXGQXBIL-CJNGLKHVSA-N 1 3 347.528 4.151 20 0 EIADHO c1nc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)sc1-c1ccccc1 ZINC000656783627 1023518075 /nfs/dbraw/zinc/51/80/75/1023518075.db2.gz RLJFTLSRMHHNMX-SFHVURJKSA-N 1 3 341.524 4.022 20 0 EIADHO c1csc(-c2ncc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)s2)c1 ZINC000656785316 1023530558 /nfs/dbraw/zinc/53/05/58/1023530558.db2.gz GSAHJKKJNPCRKX-OAHLLOKOSA-N 1 3 347.553 4.083 20 0 EIADHO C[C@H]([NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210329 1023545634 /nfs/dbraw/zinc/54/56/34/1023545634.db2.gz VPKBMEDGLKRJMN-OXJNMPFZSA-N 1 3 343.902 4.298 20 0 EIADHO C[C@H]([NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000695210328 1023546383 /nfs/dbraw/zinc/54/63/83/1023546383.db2.gz VPKBMEDGLKRJMN-JXFKEZNVSA-N 1 3 343.902 4.298 20 0 EIADHO CCOc1ccc(C[C@@H](C)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000651489893 1023627351 /nfs/dbraw/zinc/62/73/51/1023627351.db2.gz OIIZMSZHDMVGCN-QGZVFWFLSA-N 1 3 332.532 4.116 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cnccc2c1 ZINC000398135721 1023699775 /nfs/dbraw/zinc/69/97/75/1023699775.db2.gz KYXLTWZHIKTRGV-JPYJTQIMSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cnccc2c1 ZINC000398135721 1023699789 /nfs/dbraw/zinc/69/97/89/1023699789.db2.gz KYXLTWZHIKTRGV-JPYJTQIMSA-N 1 3 345.490 4.235 20 0 EIADHO C[NH2+]CC1CCN(Cc2cnc(-c3ccc(C(C)C)cc3)s2)CC1 ZINC000430932658 1024235791 /nfs/dbraw/zinc/23/57/91/1024235791.db2.gz GRTVWQSKHZWYIA-UHFFFAOYSA-N 1 3 343.540 4.365 20 0 EIADHO CC[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1OC(F)F ZINC000662284476 1025033693 /nfs/dbraw/zinc/03/36/93/1025033693.db2.gz YUHUWIMOEBRODC-SFHVURJKSA-N 1 3 346.421 4.175 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2occc2c1 ZINC000511995492 1025598337 /nfs/dbraw/zinc/59/83/37/1025598337.db2.gz ABNDZKZARBUYFV-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2occc2c1 ZINC000511995492 1025598342 /nfs/dbraw/zinc/59/83/42/1025598342.db2.gz ABNDZKZARBUYFV-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO Cc1cccc2[nH]c(CNCc3cccc(C[NH+]4CCCC4)c3)cc21 ZINC000657300036 1025807034 /nfs/dbraw/zinc/80/70/34/1025807034.db2.gz GKOXOFGUQCXMOV-UHFFFAOYSA-N 1 3 333.479 4.362 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216788 1026054301 /nfs/dbraw/zinc/05/43/01/1026054301.db2.gz ZGYBRBIMGYDIHW-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216788 1026054320 /nfs/dbraw/zinc/05/43/20/1026054320.db2.gz ZGYBRBIMGYDIHW-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO CCc1ccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000512124463 1026070678 /nfs/dbraw/zinc/07/06/78/1026070678.db2.gz RGCZQTOSFYXLJP-UHFFFAOYSA-N 1 3 337.511 4.310 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000582328342 1026454959 /nfs/dbraw/zinc/45/49/59/1026454959.db2.gz VBLBLQNFEDQMQK-DOTOQJQBSA-N 1 3 342.449 4.346 20 0 EIADHO C[NH+](C)CC1CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000506868475 1026477394 /nfs/dbraw/zinc/47/73/94/1026477394.db2.gz SCACDBKQVYQJQD-UHFFFAOYSA-N 1 3 348.437 4.215 20 0 EIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512318487 1026687767 /nfs/dbraw/zinc/68/77/67/1026687767.db2.gz PSCVPWZULWJPBL-FVJLSDCUSA-N 1 3 326.528 4.479 20 0 EIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512318487 1026687774 /nfs/dbraw/zinc/68/77/74/1026687774.db2.gz PSCVPWZULWJPBL-FVJLSDCUSA-N 1 3 326.528 4.479 20 0 EIADHO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)CCO1 ZINC000638799909 1026862345 /nfs/dbraw/zinc/86/23/45/1026862345.db2.gz LSQTZDRTOQXONF-CBQOVEMMSA-N 1 3 344.543 4.082 20 0 EIADHO CS[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)C ZINC000544365369 1027141778 /nfs/dbraw/zinc/14/17/78/1027141778.db2.gz IBLJJVXSEOETIV-BPQIPLTHSA-N 1 3 326.594 4.397 20 0 EIADHO CS[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)C ZINC000544365369 1027141790 /nfs/dbraw/zinc/14/17/90/1027141790.db2.gz IBLJJVXSEOETIV-BPQIPLTHSA-N 1 3 326.594 4.397 20 0 EIADHO CC[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000657613234 1027288371 /nfs/dbraw/zinc/28/83/71/1027288371.db2.gz JKDZIKBDWFVJCZ-NRFANRHFSA-N 1 3 337.511 4.077 20 0 EIADHO c1cc(CN2CCC(C[NH2+]Cc3ccc(C4CCC4)cc3)CC2)ccn1 ZINC000657613872 1027307361 /nfs/dbraw/zinc/30/73/61/1027307361.db2.gz VDFLUWRQHMBPQP-UHFFFAOYSA-N 1 3 349.522 4.351 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391663 1027515159 /nfs/dbraw/zinc/51/51/59/1027515159.db2.gz BIJGRLVQHCEYQJ-CTNGQTDRSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441391663 1027515163 /nfs/dbraw/zinc/51/51/63/1027515163.db2.gz BIJGRLVQHCEYQJ-CTNGQTDRSA-N 1 3 342.527 4.021 20 0 EIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000112518301 1027580012 /nfs/dbraw/zinc/58/00/12/1027580012.db2.gz JIRUASIORHBROA-HNNXBMFYSA-N 1 3 330.422 4.411 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2oc(C(C)C)nc2C)CC1 ZINC000428364805 1027698086 /nfs/dbraw/zinc/69/80/86/1027698086.db2.gz TTYSIBLPTFPBHQ-UHFFFAOYSA-N 1 3 335.536 4.440 20 0 EIADHO COCCC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CCCCC1 ZINC000189097617 1028068963 /nfs/dbraw/zinc/06/89/63/1028068963.db2.gz IMUKUQHXPUBIIY-UHFFFAOYSA-N 1 3 336.564 4.218 20 0 EIADHO COc1cc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)ccc1SC ZINC000123686281 1028091343 /nfs/dbraw/zinc/09/13/43/1028091343.db2.gz DWWOCEOSFWKKRN-OAHLLOKOSA-N 1 3 344.524 4.330 20 0 EIADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000162910416 1028532163 /nfs/dbraw/zinc/53/21/63/1028532163.db2.gz GZWYJEAGFWROOU-MRXNPFEDSA-N 1 3 342.458 4.281 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CCCCC1 ZINC000346882766 1028799267 /nfs/dbraw/zinc/79/92/67/1028799267.db2.gz YYGODXWHFVDQIZ-DYXWJJEUSA-N 1 3 330.516 4.008 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448069112 1028852812 /nfs/dbraw/zinc/85/28/12/1028852812.db2.gz DFQGWEMTNIFYIX-UHFFFAOYSA-N 1 3 332.919 4.474 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCSc2ccc(OC)cc21 ZINC000650756667 1029195108 /nfs/dbraw/zinc/19/51/08/1029195108.db2.gz HMUFTGKTSFQFGM-LJQANCHMSA-N 1 3 342.508 4.131 20 0 EIADHO COc1cc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)ccc1SC ZINC000131215376 1029292335 /nfs/dbraw/zinc/29/23/35/1029292335.db2.gz JFOPAWGYIQDROB-OAHLLOKOSA-N 1 3 336.545 4.188 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCC(OC)CC2)ccc1OC ZINC000840793211 1029343564 /nfs/dbraw/zinc/34/35/64/1029343564.db2.gz QOYDNONKRIBIAX-DZIBYMRMSA-N 1 3 348.531 4.145 20 0 EIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccccc1Br ZINC000584341617 1029745426 /nfs/dbraw/zinc/74/54/26/1029745426.db2.gz DXTQRWINVDDCKC-HNNXBMFYSA-N 1 3 339.321 4.366 20 0 EIADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000708528743 1029812986 /nfs/dbraw/zinc/81/29/86/1029812986.db2.gz IGKGJNJDPDFCDV-HOCLYGCPSA-N 1 3 334.916 4.259 20 0 EIADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000447571453 1030158925 /nfs/dbraw/zinc/15/89/25/1030158925.db2.gz KEKAAJCBCWKFAY-OAHLLOKOSA-N 1 3 341.524 4.335 20 0 EIADHO FC(F)c1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000525981808 1030167893 /nfs/dbraw/zinc/16/78/93/1030167893.db2.gz RCWFIZGAKVIQJL-UHFFFAOYSA-N 1 3 330.422 4.162 20 0 EIADHO FC(F)c1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000525981808 1030167916 /nfs/dbraw/zinc/16/79/16/1030167916.db2.gz RCWFIZGAKVIQJL-UHFFFAOYSA-N 1 3 330.422 4.162 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685455209 1030338548 /nfs/dbraw/zinc/33/85/48/1030338548.db2.gz JCNOLGUBXHZBKJ-HUUCEWRRSA-N 1 3 328.422 4.129 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc2cccnc21 ZINC000708571136 1030391922 /nfs/dbraw/zinc/39/19/22/1030391922.db2.gz QRYGAPPCCUQJCV-GCJKJVERSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc2cccnc21 ZINC000708571136 1030391935 /nfs/dbraw/zinc/39/19/35/1030391935.db2.gz QRYGAPPCCUQJCV-GCJKJVERSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000708571136 1030391945 /nfs/dbraw/zinc/39/19/45/1030391945.db2.gz QRYGAPPCCUQJCV-GCJKJVERSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@H](CC[NH2+][C@H](C)c1cc2cnccc2o1)N(C)Cc1ccccc1 ZINC000657898543 1030404338 /nfs/dbraw/zinc/40/43/38/1030404338.db2.gz DBMULIXHZUMEJH-IAGOWNOFSA-N 1 3 337.467 4.389 20 0 EIADHO C[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000527111372 1030500756 /nfs/dbraw/zinc/50/07/56/1030500756.db2.gz UAGPOEQRTIZNDO-ICSRJNTNSA-N 1 3 340.486 4.083 20 0 EIADHO C[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccccn1 ZINC000658067629 1030814346 /nfs/dbraw/zinc/81/43/46/1030814346.db2.gz XCNRKCOFTRETBV-KRWDZBQOSA-N 1 3 331.548 4.454 20 0 EIADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165410 1030863242 /nfs/dbraw/zinc/86/32/42/1030863242.db2.gz JJXMOPFVKZXLCA-PGRDOPGGSA-N 1 3 349.522 4.440 20 0 EIADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168346 1030865479 /nfs/dbraw/zinc/86/54/79/1030865479.db2.gz WFJMFANYZRDFMI-NHCUHLMSSA-N 1 3 329.532 4.098 20 0 EIADHO Cc1cc2c(cc1C)[C@H](NCc1cccc(C[NH+](C)C)c1)CCCO2 ZINC000123660754 1031477777 /nfs/dbraw/zinc/47/77/77/1031477777.db2.gz QWBNFKILVCRLGK-OAQYLSRUSA-N 1 3 338.495 4.369 20 0 EIADHO C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000449232834 1031565147 /nfs/dbraw/zinc/56/51/47/1031565147.db2.gz JGOXTYFLVQFORB-OAGGEKHMSA-N 1 3 336.470 4.311 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972412 1031909223 /nfs/dbraw/zinc/90/92/23/1031909223.db2.gz RIVLNIKSUXKXEW-DYESRHJHSA-N 1 3 344.449 4.180 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000531972412 1031909240 /nfs/dbraw/zinc/90/92/40/1031909240.db2.gz RIVLNIKSUXKXEW-DYESRHJHSA-N 1 3 344.449 4.180 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2ccc(Cl)o2)C[N@@H+]1Cc1ccccc1 ZINC000513501546 1034999307 /nfs/dbraw/zinc/99/93/07/1034999307.db2.gz TVTQRHXIURNJQL-WBVHZDCISA-N 1 3 332.875 4.323 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2ccc(Cl)o2)C[N@H+]1Cc1ccccc1 ZINC000513501546 1034999321 /nfs/dbraw/zinc/99/93/21/1034999321.db2.gz TVTQRHXIURNJQL-WBVHZDCISA-N 1 3 332.875 4.323 20 0 EIADHO CCc1cc(OC)ccc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000501401815 1035439303 /nfs/dbraw/zinc/43/93/03/1035439303.db2.gz XNGODOAPVNWJKP-UHFFFAOYSA-N 1 3 340.511 4.388 20 0 EIADHO CCc1cc(OC)ccc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000501401815 1035439306 /nfs/dbraw/zinc/43/93/06/1035439306.db2.gz XNGODOAPVNWJKP-UHFFFAOYSA-N 1 3 340.511 4.388 20 0 EIADHO CCc1cc(OC)ccc1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000501420668 1035441935 /nfs/dbraw/zinc/44/19/35/1035441935.db2.gz IHHSUHNHIBSFLW-UHFFFAOYSA-N 1 3 338.495 4.143 20 0 EIADHO c1cncc([C@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000501454082 1035448483 /nfs/dbraw/zinc/44/84/83/1035448483.db2.gz UDFJQBGPAJORMW-GHTZIAJQSA-N 1 3 341.543 4.495 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000501466379 1035449617 /nfs/dbraw/zinc/44/96/17/1035449617.db2.gz JNXGAHNQKXKFCR-YYKIQEHNSA-N 1 3 326.406 4.181 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000501466379 1035449621 /nfs/dbraw/zinc/44/96/21/1035449621.db2.gz JNXGAHNQKXKFCR-YYKIQEHNSA-N 1 3 326.406 4.181 20 0 EIADHO Clc1cccc(Cl)c1CCC[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993796 1035826725 /nfs/dbraw/zinc/82/67/25/1035826725.db2.gz KBTTVXHZTZVTAU-CYBMUJFWSA-N 1 3 327.299 4.190 20 0 EIADHO C[C@@H](CC[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000668512604 1036011238 /nfs/dbraw/zinc/01/12/38/1036011238.db2.gz OFTPFSHYLLXXTN-IBGZPJMESA-N 1 3 337.511 4.077 20 0 EIADHO COc1ccc([C@H](NCc2ccc(C[NH+](C)C)cc2)C(C)C)c(F)c1 ZINC000421821081 1036773433 /nfs/dbraw/zinc/77/34/33/1036773433.db2.gz PJCXECNPHJEGEO-OAQYLSRUSA-N 1 3 344.474 4.383 20 0 EIADHO COc1ccc([C@H](NCc2cccc(C[NH+](C)C)c2)C(C)C)c(F)c1 ZINC000421819390 1036774890 /nfs/dbraw/zinc/77/48/90/1036774890.db2.gz GWCXKSSQVSSKSC-OAQYLSRUSA-N 1 3 344.474 4.383 20 0 EIADHO CCOc1ccc([C@@H]2CCCN2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168392695 1036853190 /nfs/dbraw/zinc/85/31/90/1036853190.db2.gz SBRLOHALUCJXJE-NRFANRHFSA-N 1 3 328.500 4.097 20 0 EIADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000486944395 1036898918 /nfs/dbraw/zinc/89/89/18/1036898918.db2.gz PMNQBJUKCOWGFW-FNQPIQQGSA-N 1 3 335.495 4.259 20 0 EIADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000486944395 1036898920 /nfs/dbraw/zinc/89/89/20/1036898920.db2.gz PMNQBJUKCOWGFW-FNQPIQQGSA-N 1 3 335.495 4.259 20 0 EIADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000573596131 1037596595 /nfs/dbraw/zinc/59/65/95/1037596595.db2.gz CXUZOHUXCCXLCQ-IUYQLWOBSA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000573596131 1037596600 /nfs/dbraw/zinc/59/66/00/1037596600.db2.gz CXUZOHUXCCXLCQ-IUYQLWOBSA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000573596131 1037596614 /nfs/dbraw/zinc/59/66/14/1037596614.db2.gz CXUZOHUXCCXLCQ-IUYQLWOBSA-N 1 3 340.433 4.430 20 0 EIADHO CC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N(CC)CC ZINC000605425138 1037779515 /nfs/dbraw/zinc/77/95/15/1037779515.db2.gz WFQOCXCEMFBPLS-XLIONFOSSA-N 1 3 345.531 4.120 20 0 EIADHO CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N(CC)CC ZINC000605425138 1037779527 /nfs/dbraw/zinc/77/95/27/1037779527.db2.gz WFQOCXCEMFBPLS-XLIONFOSSA-N 1 3 345.531 4.120 20 0 EIADHO CCCC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(OC)cc1 ZINC000422718074 1037813547 /nfs/dbraw/zinc/81/35/47/1037813547.db2.gz WLQZOFYBIUDOGF-IERDGZPVSA-N 1 3 341.499 4.439 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000422719630 1037815800 /nfs/dbraw/zinc/81/58/00/1037815800.db2.gz YZRMFOZUGQSKEB-KPLVRAHFSA-N 1 3 337.511 4.301 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422727083 1037818098 /nfs/dbraw/zinc/81/80/98/1037818098.db2.gz GKNGTJYHMWLLBH-NSHDSACASA-N 1 3 338.282 4.049 20 0 EIADHO N[C@@H]1C[C@H]([NH2+]CCc2csc(-c3ccccc3)n2)c2ccccc21 ZINC000422776628 1037831086 /nfs/dbraw/zinc/83/10/86/1037831086.db2.gz AQSXDIDIHNCRAT-MOPGFXCFSA-N 1 3 335.476 4.087 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000422773957 1037831450 /nfs/dbraw/zinc/83/14/50/1037831450.db2.gz ZLXBJHIPXYZSQE-FDDCHVKYSA-N 1 3 345.490 4.483 20 0 EIADHO CC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)(C)c1ccccc1 ZINC000422784779 1037832631 /nfs/dbraw/zinc/83/26/31/1037832631.db2.gz OOGXLQYJNQUZEW-JXFKEZNVSA-N 1 3 325.500 4.256 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000422764188 1037834934 /nfs/dbraw/zinc/83/49/34/1037834934.db2.gz UUXQOXLWFMQHJN-QGZVFWFLSA-N 1 3 345.490 4.331 20 0 EIADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422804649 1037838490 /nfs/dbraw/zinc/83/84/90/1037838490.db2.gz HZLWWIINTYYVGC-GFRNBQLOSA-N 1 3 336.479 4.197 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422886486 1037854837 /nfs/dbraw/zinc/85/48/37/1037854837.db2.gz JELIRGZBCNHKPS-INIZCTEOSA-N 1 3 349.478 4.122 20 0 EIADHO COc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)cc1 ZINC000422927731 1037871274 /nfs/dbraw/zinc/87/12/74/1037871274.db2.gz ZYRCUBPYYWVYDP-IFXJQAMLSA-N 1 3 332.875 4.155 20 0 EIADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422940098 1037876021 /nfs/dbraw/zinc/87/60/21/1037876021.db2.gz IQFUVVLLNSOVOM-PMCWCKIBSA-N 1 3 332.491 4.001 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)c2ccccc21 ZINC000423010953 1037899641 /nfs/dbraw/zinc/89/96/41/1037899641.db2.gz AKOCLTYNVPBLKT-NVXWUHKLSA-N 1 3 337.511 4.355 20 0 EIADHO CC(C)c1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423050201 1037936710 /nfs/dbraw/zinc/93/67/10/1037936710.db2.gz LDUURPAKVMHHGF-IFMALSPDSA-N 1 3 336.479 4.156 20 0 EIADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(C2CC2)c1 ZINC000423148174 1037994862 /nfs/dbraw/zinc/99/48/62/1037994862.db2.gz USLLWUMKLJOGQG-YROCYRMSSA-N 1 3 348.490 4.471 20 0 EIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919223 1037995759 /nfs/dbraw/zinc/99/57/59/1037995759.db2.gz FUWJOMXSGYWPGO-BZZMCLGOSA-N 1 3 344.490 4.170 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCC[C@H]3OC(F)F)CC2)C1 ZINC000503919223 1037995790 /nfs/dbraw/zinc/99/57/90/1037995790.db2.gz FUWJOMXSGYWPGO-BZZMCLGOSA-N 1 3 344.490 4.170 20 0 EIADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146210 1038000176 /nfs/dbraw/zinc/00/01/76/1038000176.db2.gz OPPUROHPGBOIAQ-OYRIPWCXSA-N 1 3 328.887 4.134 20 0 EIADHO [NH3+][C@@H]1C[C@@H](NCC[C@H](c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000423140108 1038012922 /nfs/dbraw/zinc/01/29/22/1038012922.db2.gz XHYHTQUZEGSOTH-KZNAEPCWSA-N 1 3 334.385 4.457 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423172159 1038026889 /nfs/dbraw/zinc/02/68/89/1038026889.db2.gz RPYDJGQSAUQOPB-AWEZNQCLSA-N 1 3 343.902 4.176 20 0 EIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000503950156 1038042770 /nfs/dbraw/zinc/04/27/70/1038042770.db2.gz BIMNTVCRROYLHN-XOYOTBSWSA-N 1 3 344.490 4.170 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCS2 ZINC000423291667 1038096187 /nfs/dbraw/zinc/09/61/87/1038096187.db2.gz JIERSUAHDIZLHN-FZKQIMNGSA-N 1 3 328.481 4.042 20 0 EIADHO c1cc(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)cc2c1C[NH2+]C2 ZINC000423390643 1038197988 /nfs/dbraw/zinc/19/79/88/1038197988.db2.gz PARCWPZPOSKXJY-QFIPXVFZSA-N 1 3 348.490 4.172 20 0 EIADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423406513 1038215209 /nfs/dbraw/zinc/21/52/09/1038215209.db2.gz UTIVOXCIPPJCER-QQOVODFUSA-N 1 3 340.433 4.319 20 0 EIADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2F)n1 ZINC000423484307 1038259489 /nfs/dbraw/zinc/25/94/89/1038259489.db2.gz QQUFETQSNUWWRW-KBPBESRZSA-N 1 3 333.476 4.132 20 0 EIADHO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423494879 1038265612 /nfs/dbraw/zinc/26/56/12/1038265612.db2.gz BEXHCSXIFJWMMN-ZHRRBRCNSA-N 1 3 348.494 4.094 20 0 EIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(-c2ccccc2)nn1C ZINC000423521357 1038273759 /nfs/dbraw/zinc/27/37/59/1038273759.db2.gz SSFHYYXITKZPPY-XLIONFOSSA-N 1 3 348.494 4.218 20 0 EIADHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490682 1038375249 /nfs/dbraw/zinc/37/52/49/1038375249.db2.gz PQUAVBXCPFGALY-LPHOPBHVSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490682 1038375263 /nfs/dbraw/zinc/37/52/63/1038375263.db2.gz PQUAVBXCPFGALY-LPHOPBHVSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@H]1CCCCN1CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424266214 1038763401 /nfs/dbraw/zinc/76/34/01/1038763401.db2.gz WPYQMWFMOSTQSA-HKUYNNGSSA-N 1 3 343.540 4.281 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCOc2cccc(Cl)c2Cl)CC1 ZINC000539093185 1038834494 /nfs/dbraw/zinc/83/44/94/1038834494.db2.gz LOABPAXHJFBKSZ-UHFFFAOYSA-N 1 3 345.314 4.225 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000504906339 1038846480 /nfs/dbraw/zinc/84/64/80/1038846480.db2.gz WVCDQJSVIWMDGP-MLYOOKFZSA-N 1 3 330.516 4.022 20 0 EIADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000539394933 1039029526 /nfs/dbraw/zinc/02/95/26/1039029526.db2.gz AISZRCPHIFQRIW-NEWSRXKRSA-N 1 3 328.500 4.143 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)C1 ZINC000481298672 1039235319 /nfs/dbraw/zinc/23/53/19/1039235319.db2.gz INBDZTSAJOQWME-UTKZUKDTSA-N 1 3 344.449 4.180 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225190 1039273862 /nfs/dbraw/zinc/27/38/62/1039273862.db2.gz CZWYUINCNLGCEM-IEBWSBKVSA-N 1 3 332.536 4.275 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225190 1039273896 /nfs/dbraw/zinc/27/38/96/1039273896.db2.gz CZWYUINCNLGCEM-IEBWSBKVSA-N 1 3 332.536 4.275 20 0 EIADHO Cc1cc(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc(C)c1O ZINC000470132795 1039424056 /nfs/dbraw/zinc/42/40/56/1039424056.db2.gz LPAKSRDOOMWUCN-IIBYNOLFSA-N 1 3 344.543 4.184 20 0 EIADHO Cc1cccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)c1C ZINC000122295183 1039637262 /nfs/dbraw/zinc/63/72/62/1039637262.db2.gz KBPQSRPLZLZQTO-SFHVURJKSA-N 1 3 326.484 4.095 20 0 EIADHO c1ccc(C[C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc2)cc1 ZINC001168351258 1039729632 /nfs/dbraw/zinc/72/96/32/1039729632.db2.gz OFIRWDHAYLVRHC-HSZRJFAPSA-N 1 3 334.507 4.434 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430115483 1039851646 /nfs/dbraw/zinc/85/16/46/1039851646.db2.gz BFGYMFMUZONHCK-OTMARIDSSA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430115483 1039851649 /nfs/dbraw/zinc/85/16/49/1039851649.db2.gz BFGYMFMUZONHCK-OTMARIDSSA-N 1 3 338.417 4.136 20 0 EIADHO Cc1cc([C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C2CC2)ccc1F ZINC000553104203 1039991369 /nfs/dbraw/zinc/99/13/69/1039991369.db2.gz OXXJKYSYFWTFKY-FVJLSDCUSA-N 1 3 348.506 4.064 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551186151 1040033158 /nfs/dbraw/zinc/03/31/58/1040033158.db2.gz FFGAVOSBIPYIAO-AWEZNQCLSA-N 1 3 349.931 4.285 20 0 EIADHO CSC1(CN[C@H](C)c2cccc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000514696599 1040144163 /nfs/dbraw/zinc/14/41/63/1040144163.db2.gz NBDBYSDKSSDQQF-GFCCVEGCSA-N 1 3 347.355 4.471 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000482360660 1040200416 /nfs/dbraw/zinc/20/04/16/1040200416.db2.gz PWNPKNDLFDULPH-HUUCEWRRSA-N 1 3 344.421 4.356 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000482434326 1040242134 /nfs/dbraw/zinc/24/21/34/1040242134.db2.gz FNKLMMJLDYXELO-MJGOQNOKSA-N 1 3 326.459 4.041 20 0 EIADHO c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482439910 1040248088 /nfs/dbraw/zinc/24/80/88/1040248088.db2.gz PRLVUBOUXBUQHI-UYAOXDASSA-N 1 3 340.536 4.280 20 0 EIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000482462792 1040272176 /nfs/dbraw/zinc/27/21/76/1040272176.db2.gz XMIQLEIDEPGICQ-MJGOQNOKSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000482462792 1040272191 /nfs/dbraw/zinc/27/21/91/1040272191.db2.gz XMIQLEIDEPGICQ-MJGOQNOKSA-N 1 3 328.525 4.272 20 0 EIADHO FC(F)(F)Sc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168356677 1040376003 /nfs/dbraw/zinc/37/60/03/1040376003.db2.gz SORKDHXQFGUETA-UHFFFAOYSA-N 1 3 344.446 4.263 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995698 1040392510 /nfs/dbraw/zinc/39/25/10/1040392510.db2.gz WWJXPZNWKYHUTC-CHWSQXEVSA-N 1 3 327.299 4.189 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995698 1040392521 /nfs/dbraw/zinc/39/25/21/1040392521.db2.gz WWJXPZNWKYHUTC-CHWSQXEVSA-N 1 3 327.299 4.189 20 0 EIADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995159 1040407525 /nfs/dbraw/zinc/40/75/25/1040407525.db2.gz FABOVAMCWQDFGN-GIVPXCGWSA-N 1 3 342.527 4.374 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000668147080 1040538088 /nfs/dbraw/zinc/53/80/88/1040538088.db2.gz ZCVDXXCQYKVRKR-DFNIBXOVSA-N 1 3 341.524 4.176 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000668147080 1040538108 /nfs/dbraw/zinc/53/81/08/1040538108.db2.gz ZCVDXXCQYKVRKR-DFNIBXOVSA-N 1 3 341.524 4.176 20 0 EIADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000924781868 1040546393 /nfs/dbraw/zinc/54/63/93/1040546393.db2.gz KKGQBNAUADSOPB-UNMCSNQZSA-N 1 3 344.543 4.254 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000668172370 1040604649 /nfs/dbraw/zinc/60/46/49/1040604649.db2.gz MCQRXBFJLKWDCD-RBUKOAKNSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000668172370 1040604656 /nfs/dbraw/zinc/60/46/56/1040604656.db2.gz MCQRXBFJLKWDCD-RBUKOAKNSA-N 1 3 341.524 4.035 20 0 EIADHO C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539657115 1040653754 /nfs/dbraw/zinc/65/37/54/1040653754.db2.gz TVKFEHAMAZETCT-MRXNPFEDSA-N 1 3 342.458 4.106 20 0 EIADHO C[C@@]1(CNCc2cccc3cnccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000311581912 1040734187 /nfs/dbraw/zinc/73/41/87/1040734187.db2.gz DAEGVTZCQOBTKN-QHCPKHFHSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@@]1(CNCc2cccc3cnccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000311581912 1040734205 /nfs/dbraw/zinc/73/42/05/1040734205.db2.gz DAEGVTZCQOBTKN-QHCPKHFHSA-N 1 3 345.490 4.237 20 0 EIADHO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089329 1040927719 /nfs/dbraw/zinc/92/77/19/1040927719.db2.gz HFZBJLNIILNJHZ-UKRRQHHQSA-N 1 3 328.472 4.179 20 0 EIADHO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089329 1040927733 /nfs/dbraw/zinc/92/77/33/1040927733.db2.gz HFZBJLNIILNJHZ-UKRRQHHQSA-N 1 3 328.472 4.179 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3c2cccc3OC)cc1 ZINC000480147429 1041002564 /nfs/dbraw/zinc/00/25/64/1041002564.db2.gz OXRSKFPKWZZAII-OAQYLSRUSA-N 1 3 338.495 4.314 20 0 EIADHO C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000483809812 1041019978 /nfs/dbraw/zinc/01/99/78/1041019978.db2.gz SBGRJRIMHHQLBY-OAHLLOKOSA-N 1 3 336.470 4.455 20 0 EIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(SCC(F)F)cc1 ZINC000515846161 1041185407 /nfs/dbraw/zinc/18/54/07/1041185407.db2.gz HVIPYWILICWDEB-CYBMUJFWSA-N 1 3 336.451 4.353 20 0 EIADHO CCCC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000540158217 1041187964 /nfs/dbraw/zinc/18/79/64/1041187964.db2.gz SPLAHUJQBZULJV-FKBYEOEOSA-N 1 3 344.543 4.275 20 0 EIADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000540172346 1041217254 /nfs/dbraw/zinc/21/72/54/1041217254.db2.gz AHHVLYODOODIHU-QLFBSQMISA-N 1 3 344.952 4.332 20 0 EIADHO C[C@@H](CC[NH3+])NCc1ccc(-c2ccccc2Br)s1 ZINC000414884105 1041223608 /nfs/dbraw/zinc/22/36/08/1041223608.db2.gz AVQOHHSCOAIUDM-NSHDSACASA-N 1 3 339.302 4.005 20 0 EIADHO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCC[C@H](N(C)C)C3)ccc2c1 ZINC000484471724 1041250115 /nfs/dbraw/zinc/25/01/15/1041250115.db2.gz ILZUVRGOJICWPD-YSSFQJQWSA-N 1 3 326.484 4.372 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463071235 1041316312 /nfs/dbraw/zinc/31/63/12/1041316312.db2.gz WJLMUXGXMMSYDA-WIYYLYMNSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000463071235 1041316324 /nfs/dbraw/zinc/31/63/24/1041316324.db2.gz WJLMUXGXMMSYDA-WIYYLYMNSA-N 1 3 338.495 4.146 20 0 EIADHO CC(C)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000554722033 1041363575 /nfs/dbraw/zinc/36/35/75/1041363575.db2.gz DJVVFMKVCLMZRO-YESZJQIVSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287312958 1041421608 /nfs/dbraw/zinc/42/16/08/1041421608.db2.gz LIMKKRDSAWGCDW-SOLBZPMBSA-N 1 3 325.456 4.007 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287312958 1041421615 /nfs/dbraw/zinc/42/16/15/1041421615.db2.gz LIMKKRDSAWGCDW-SOLBZPMBSA-N 1 3 325.456 4.007 20 0 EIADHO C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cccc(F)c1F ZINC000463278910 1041469952 /nfs/dbraw/zinc/46/99/52/1041469952.db2.gz DYQFHZBWTFYSAW-INIZCTEOSA-N 1 3 344.449 4.323 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000480741228 1041514556 /nfs/dbraw/zinc/51/45/56/1041514556.db2.gz NDCDCQYYPXYPLZ-HDMKZQKVSA-N 1 3 326.509 4.495 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480741228 1041514565 /nfs/dbraw/zinc/51/45/65/1041514565.db2.gz NDCDCQYYPXYPLZ-HDMKZQKVSA-N 1 3 326.509 4.495 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000480741232 1041515086 /nfs/dbraw/zinc/51/50/86/1041515086.db2.gz NDCDCQYYPXYPLZ-IIDMSEBBSA-N 1 3 326.509 4.495 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000480741232 1041515099 /nfs/dbraw/zinc/51/50/99/1041515099.db2.gz NDCDCQYYPXYPLZ-IIDMSEBBSA-N 1 3 326.509 4.495 20 0 EIADHO [NH3+][C@H]1CCC[C@@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414909767 1041855201 /nfs/dbraw/zinc/85/52/01/1041855201.db2.gz CKIUBBMSXKSADX-QWHCGFSZSA-N 1 3 340.311 4.084 20 0 EIADHO c1ccc(OCCCCC[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000437793252 1041914782 /nfs/dbraw/zinc/91/47/82/1041914782.db2.gz ATLZFOZJNVWIKY-UHFFFAOYSA-N 1 3 344.543 4.480 20 0 EIADHO COc1ccc2oc([C@@H](C)[NH2+]CC[C@@H]3CCCCN3C)c(C)c2c1 ZINC000541653724 1042058179 /nfs/dbraw/zinc/05/81/79/1042058179.db2.gz PFBJTIKVSWWYTE-CVEARBPZSA-N 1 3 330.472 4.275 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCN1 ZINC000414948185 1042336387 /nfs/dbraw/zinc/33/63/87/1042336387.db2.gz LSSXKIUVIMZOES-YYQUZTFQSA-N 1 3 326.406 4.072 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000414974632 1042461516 /nfs/dbraw/zinc/46/15/16/1042461516.db2.gz DUDJKIOKKVBLDZ-XMSQKQJNSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000414974632 1042461521 /nfs/dbraw/zinc/46/15/21/1042461521.db2.gz DUDJKIOKKVBLDZ-XMSQKQJNSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309875645 1042823237 /nfs/dbraw/zinc/82/32/37/1042823237.db2.gz SYKBHBQASWVKIU-APWZRJJASA-N 1 3 328.887 4.340 20 0 EIADHO CCCOc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000177734005 1042847417 /nfs/dbraw/zinc/84/74/17/1042847417.db2.gz BMVFKWDFUQMXDR-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO C[C@H](N[C@@H]1CCc2cc(F)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311145901 1042853824 /nfs/dbraw/zinc/85/38/24/1042853824.db2.gz ZLARZIMBKPEGNL-XWFZLUIHSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H](N[C@@H]1CCc2cc(F)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311145901 1042853825 /nfs/dbraw/zinc/85/38/25/1042853825.db2.gz ZLARZIMBKPEGNL-XWFZLUIHSA-N 1 3 338.470 4.313 20 0 EIADHO COC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493884682 1042970813 /nfs/dbraw/zinc/97/08/13/1042970813.db2.gz ZNNQGCITJNPICD-VQIMIIECSA-N 1 3 338.923 4.272 20 0 EIADHO COC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493884682 1042970819 /nfs/dbraw/zinc/97/08/19/1042970819.db2.gz ZNNQGCITJNPICD-VQIMIIECSA-N 1 3 338.923 4.272 20 0 EIADHO C[C@H]([NH2+]Cc1ccnc2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000388842124 1043061148 /nfs/dbraw/zinc/06/11/48/1043061148.db2.gz YFOLSSDRRPBLHW-GHTZIAJQSA-N 1 3 345.490 4.235 20 0 EIADHO Cc1ccnc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008711 1043076726 /nfs/dbraw/zinc/07/67/26/1043076726.db2.gz FVQUSOPOXFIIHG-JTJHWIPRSA-N 1 3 337.511 4.482 20 0 EIADHO Cc1ccnc([C@H](C)[NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168008704 1043077669 /nfs/dbraw/zinc/07/76/69/1043077669.db2.gz FVQUSOPOXFIIHG-FHWLQOOXSA-N 1 3 337.511 4.482 20 0 EIADHO C[C@@H]1CCC[N@H+](CCCCNCc2cscc2Br)C1 ZINC000512147701 1043086018 /nfs/dbraw/zinc/08/60/18/1043086018.db2.gz UZVIILDFZOJLNQ-CYBMUJFWSA-N 1 3 345.350 4.112 20 0 EIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cscc2Br)C1 ZINC000512147701 1043086032 /nfs/dbraw/zinc/08/60/32/1043086032.db2.gz UZVIILDFZOJLNQ-CYBMUJFWSA-N 1 3 345.350 4.112 20 0 EIADHO FC(F)(F)C1CCC(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000185517814 1043193989 /nfs/dbraw/zinc/19/39/89/1043193989.db2.gz BEXRDIIRTOTKCV-CGZBRXJRSA-N 1 3 332.454 4.163 20 0 EIADHO FC(F)(F)C1CCC(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000185517814 1043193981 /nfs/dbraw/zinc/19/39/81/1043193981.db2.gz BEXRDIIRTOTKCV-CGZBRXJRSA-N 1 3 332.454 4.163 20 0 EIADHO FC(F)(F)C1CCC(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000185517834 1043194482 /nfs/dbraw/zinc/19/44/82/1043194482.db2.gz BEXRDIIRTOTKCV-AQFXKWCLSA-N 1 3 332.454 4.163 20 0 EIADHO FC(F)(F)C1CCC(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000185517834 1043194491 /nfs/dbraw/zinc/19/44/91/1043194491.db2.gz BEXRDIIRTOTKCV-AQFXKWCLSA-N 1 3 332.454 4.163 20 0 EIADHO C[C@@H]1CC(Nc2cccc(F)c2CN)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011592 1043335120 /nfs/dbraw/zinc/33/51/20/1043335120.db2.gz PTVVMFCREJZXFP-HZPDHXFCSA-N 1 3 341.474 4.138 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3cccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000674336106 1043603569 /nfs/dbraw/zinc/60/35/69/1043603569.db2.gz ZAMKKSBYZHQQOB-GCJKJVERSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3cccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000674336106 1043603577 /nfs/dbraw/zinc/60/35/77/1043603577.db2.gz ZAMKKSBYZHQQOB-GCJKJVERSA-N 1 3 345.490 4.378 20 0 EIADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001168708771 1043999751 /nfs/dbraw/zinc/99/97/51/1043999751.db2.gz OVYDGORHLVRXCN-SFHVURJKSA-N 1 3 332.919 4.051 20 0 EIADHO Clc1cccc2c1C[C@@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001168708771 1043999760 /nfs/dbraw/zinc/99/97/60/1043999760.db2.gz OVYDGORHLVRXCN-SFHVURJKSA-N 1 3 332.919 4.051 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000479409957 1044246186 /nfs/dbraw/zinc/24/61/86/1044246186.db2.gz KUYOCTBCESFCBL-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCC(F)(F)CC1 ZINC000474057677 1044319930 /nfs/dbraw/zinc/31/99/30/1044319930.db2.gz XITCRWGVVTYXNX-HNNXBMFYSA-N 1 3 328.491 4.445 20 0 EIADHO CC1CCN(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494880275 1044463749 /nfs/dbraw/zinc/46/37/49/1044463749.db2.gz RXSSHALTDWKEBC-NQIIRXRSSA-N 1 3 348.506 4.005 20 0 EIADHO C[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1)CN1CCCCC1 ZINC000494926698 1044522979 /nfs/dbraw/zinc/52/29/79/1044522979.db2.gz YSMOKHMCHGJFCK-DBXWQHBBSA-N 1 3 348.506 4.005 20 0 EIADHO C(=C\c1ccncc1)\CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000494995293 1044584530 /nfs/dbraw/zinc/58/45/30/1044584530.db2.gz MCYNXSLYNLJONX-DAXSKMNVSA-N 1 3 347.506 4.083 20 0 EIADHO C(=C\c1ccncc1)\CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000494995293 1044584541 /nfs/dbraw/zinc/58/45/41/1044584541.db2.gz MCYNXSLYNLJONX-DAXSKMNVSA-N 1 3 347.506 4.083 20 0 EIADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000673600440 1044854226 /nfs/dbraw/zinc/85/42/26/1044854226.db2.gz XCQRJQGARZZKLI-IHWMJMDHSA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000673600440 1044854227 /nfs/dbraw/zinc/85/42/27/1044854227.db2.gz XCQRJQGARZZKLI-IHWMJMDHSA-N 1 3 326.406 4.040 20 0 EIADHO CN(C)Cc1cc(C[NH2+]Cc2ccc(-c3ccccc3)o2)ccc1F ZINC000115624448 1044963561 /nfs/dbraw/zinc/96/35/61/1044963561.db2.gz QWOCAUJKSXHZNT-UHFFFAOYSA-N 1 3 338.426 4.437 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000611104255 1045250655 /nfs/dbraw/zinc/25/06/55/1045250655.db2.gz PSHBKXVINBBEIP-UXHICEINSA-N 1 3 340.536 4.289 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000611104255 1045250664 /nfs/dbraw/zinc/25/06/64/1045250664.db2.gz PSHBKXVINBBEIP-UXHICEINSA-N 1 3 340.536 4.289 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001168501372 1045498868 /nfs/dbraw/zinc/49/88/68/1045498868.db2.gz NWQGYCWPOPCJOZ-KRWDZBQOSA-N 1 3 332.507 4.486 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001168501372 1045498871 /nfs/dbraw/zinc/49/88/71/1045498871.db2.gz NWQGYCWPOPCJOZ-KRWDZBQOSA-N 1 3 332.507 4.486 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001168501372 1045498874 /nfs/dbraw/zinc/49/88/74/1045498874.db2.gz NWQGYCWPOPCJOZ-KRWDZBQOSA-N 1 3 332.507 4.486 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000326084809 1045562838 /nfs/dbraw/zinc/56/28/38/1045562838.db2.gz PSZJVMWLSAOVJQ-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)CCCO2 ZINC000768107036 1045717432 /nfs/dbraw/zinc/71/74/32/1045717432.db2.gz LFQFHMYBHGOMCR-NRFANRHFSA-N 1 3 342.527 4.459 20 0 EIADHO COc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1Cl ZINC000123627610 1046189254 /nfs/dbraw/zinc/18/92/54/1046189254.db2.gz JHBWCTCOICQSRE-AWEZNQCLSA-N 1 3 332.875 4.261 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000123976150 1046209497 /nfs/dbraw/zinc/20/94/97/1046209497.db2.gz KLTJIGWBZVBNRL-INIZCTEOSA-N 1 3 343.490 4.194 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000123976150 1046209507 /nfs/dbraw/zinc/20/95/07/1046209507.db2.gz KLTJIGWBZVBNRL-INIZCTEOSA-N 1 3 343.490 4.194 20 0 EIADHO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508722036 1046420331 /nfs/dbraw/zinc/42/03/31/1046420331.db2.gz QUTGCHMSSXOLLZ-RXVVDRJESA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000379615161 1046702744 /nfs/dbraw/zinc/70/27/44/1046702744.db2.gz AFXKGXWHSUNYHN-WIYYLYMNSA-N 1 3 338.495 4.152 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000379615161 1046702760 /nfs/dbraw/zinc/70/27/60/1046702760.db2.gz AFXKGXWHSUNYHN-WIYYLYMNSA-N 1 3 338.495 4.152 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3F)CC[N@@H+]1Cc1ccccc1 ZINC000379655815 1046759708 /nfs/dbraw/zinc/75/97/08/1046759708.db2.gz NEORSYVVVRCJQZ-TVTNDZMWSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3F)CC[N@H+]1Cc1ccccc1 ZINC000379655815 1046759722 /nfs/dbraw/zinc/75/97/22/1046759722.db2.gz NEORSYVVVRCJQZ-TVTNDZMWSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537160732 1046998354 /nfs/dbraw/zinc/99/83/54/1046998354.db2.gz GNFZKWUUZQXYLP-HBFSDRIKSA-N 1 3 342.527 4.391 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000806127701 1047146597 /nfs/dbraw/zinc/14/65/97/1047146597.db2.gz JEQXPLWCXFTEQT-GOSISDBHSA-N 1 3 343.902 4.354 20 0 EIADHO Cc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)s1 ZINC001204033726 1047464304 /nfs/dbraw/zinc/46/43/04/1047464304.db2.gz RQBMJAHVFKWTNO-UHFFFAOYSA-N 1 3 326.509 4.155 20 0 EIADHO C[C@H]1CC[C@@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001170119649 1047472704 /nfs/dbraw/zinc/47/27/04/1047472704.db2.gz ZJEBULXZCJTYRV-UONOGXRCSA-N 1 3 326.406 4.144 20 0 EIADHO C[C@H]1CC[C@@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001170120362 1047477109 /nfs/dbraw/zinc/47/71/09/1047477109.db2.gz GBMJJHJTIQBRRH-XJKSGUPXSA-N 1 3 326.406 4.144 20 0 EIADHO CC(C)COc1ccccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000556686648 1047875161 /nfs/dbraw/zinc/87/51/61/1047875161.db2.gz ZSFXNVLCOKJVDK-UHFFFAOYSA-N 1 3 332.532 4.274 20 0 EIADHO CC(C)COc1ccccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000556686648 1047875168 /nfs/dbraw/zinc/87/51/68/1047875168.db2.gz ZSFXNVLCOKJVDK-UHFFFAOYSA-N 1 3 332.532 4.274 20 0 EIADHO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000131736543 1048126539 /nfs/dbraw/zinc/12/65/39/1048126539.db2.gz SLCYCWBSCSUGOZ-PXNSSMCTSA-N 1 3 336.564 4.214 20 0 EIADHO C[C@H](NCc1cccc(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000132520800 1048331928 /nfs/dbraw/zinc/33/19/28/1048331928.db2.gz VYNDGZMCSBXFPT-HNNXBMFYSA-N 1 3 332.875 4.131 20 0 EIADHO Cc1ccc(Oc2cccc(C[NH+]3CCC4(CN(C)C4)CC3)c2)cc1 ZINC001144090673 1048405917 /nfs/dbraw/zinc/40/59/17/1048405917.db2.gz NXNFKCHVHMYAHH-UHFFFAOYSA-N 1 3 336.479 4.315 20 0 EIADHO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccc5cc[nH]c54)C[C@H]3C2)cc1 ZINC001144712432 1048814305 /nfs/dbraw/zinc/81/43/05/1048814305.db2.gz XLAYIONMLXJDRA-FGZHOGPDSA-N 1 3 345.490 4.040 20 0 EIADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000817897289 1049052994 /nfs/dbraw/zinc/05/29/94/1049052994.db2.gz JQXQYJHLSUXHMS-NEPJUHHUSA-N 1 3 345.350 4.035 20 0 EIADHO Cc1ccc(C)c([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817894616 1049053666 /nfs/dbraw/zinc/05/36/66/1049053666.db2.gz NLLVCODARRYFIL-WEYGHZABSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000817900675 1049057116 /nfs/dbraw/zinc/05/71/16/1049057116.db2.gz UYNHKSFFUVJSKB-JSGCOSHPSA-N 1 3 325.481 4.475 20 0 EIADHO [NH3+]CCc1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)cc1 ZINC000817949619 1049064559 /nfs/dbraw/zinc/06/45/59/1049064559.db2.gz SLRDVKAJNQEJSN-QGZVFWFLSA-N 1 3 332.900 4.168 20 0 EIADHO Cc1c([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1-c1ccccc1 ZINC000817962511 1049068658 /nfs/dbraw/zinc/06/86/58/1049068658.db2.gz JGSODUYDVFNHTA-HOTGVXAUSA-N 1 3 334.467 4.051 20 0 EIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817963154 1049070527 /nfs/dbraw/zinc/07/05/27/1049070527.db2.gz ORRGITQTQWGEDJ-WDEREUQCSA-N 1 3 338.282 4.446 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171352823 1049506717 /nfs/dbraw/zinc/50/67/17/1049506717.db2.gz BRRWRHQFBYFOGM-KRWDZBQOSA-N 1 3 336.470 4.065 20 0 EIADHO CCC(CC)[NH+]1CCC(N[C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171352823 1049506741 /nfs/dbraw/zinc/50/67/41/1049506741.db2.gz BRRWRHQFBYFOGM-KRWDZBQOSA-N 1 3 336.470 4.065 20 0 EIADHO CCCN1CCC([NH2+][C@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820805064 1049551060 /nfs/dbraw/zinc/55/10/60/1049551060.db2.gz DUYFHDXYCOEPHX-HXUWFJFHSA-N 1 3 326.484 4.336 20 0 EIADHO CCCCC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000773069316 1049564856 /nfs/dbraw/zinc/56/48/56/1049564856.db2.gz NXNBSPAQALVQKW-FKBYEOEOSA-N 1 3 344.543 4.275 20 0 EIADHO Fc1cccc2c1CC[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001171419778 1049655665 /nfs/dbraw/zinc/65/56/65/1049655665.db2.gz UWLNMZPOMAETSC-XLIONFOSSA-N 1 3 342.502 4.093 20 0 EIADHO CSCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716641418 1049702179 /nfs/dbraw/zinc/70/21/79/1049702179.db2.gz ZVBLVQHJQDBAAB-ZCNNSNEGSA-N 1 3 332.557 4.162 20 0 EIADHO Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001171486353 1049717073 /nfs/dbraw/zinc/71/70/73/1049717073.db2.gz BPLIABWPBCWRNO-RTBURBONSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc2c(cc1F)C[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001171486353 1049717084 /nfs/dbraw/zinc/71/70/84/1049717084.db2.gz BPLIABWPBCWRNO-RTBURBONSA-N 1 3 348.481 4.163 20 0 EIADHO COc1ccc2c(c1)[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)CCC2 ZINC001171628588 1049762688 /nfs/dbraw/zinc/76/26/88/1049762688.db2.gz BYPDCYYJFSQLEE-LJQANCHMSA-N 1 3 330.516 4.314 20 0 EIADHO Cc1ccc(CC[C@@H](C)N2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001171680081 1049777820 /nfs/dbraw/zinc/77/78/20/1049777820.db2.gz PFOJONAANTUGCJ-GOSISDBHSA-N 1 3 332.507 4.214 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1(C)C ZINC001171639456 1049779682 /nfs/dbraw/zinc/77/96/82/1049779682.db2.gz KMIZEHLMSCAQPA-HXUWFJFHSA-N 1 3 344.543 4.319 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1(C)C ZINC001171639456 1049779691 /nfs/dbraw/zinc/77/96/91/1049779691.db2.gz KMIZEHLMSCAQPA-HXUWFJFHSA-N 1 3 344.543 4.319 20 0 EIADHO C[N@H+]([C@@H]1Cc2cccc(F)c2C1)C1CCN(C2CCCCC2)CC1 ZINC001171812148 1049809329 /nfs/dbraw/zinc/80/93/29/1049809329.db2.gz LIXFTXGDHWSXSL-LJQANCHMSA-N 1 3 330.491 4.022 20 0 EIADHO C[N@@H+]([C@@H]1Cc2cccc(F)c2C1)C1CCN(C2CCCCC2)CC1 ZINC001171812148 1049809332 /nfs/dbraw/zinc/80/93/32/1049809332.db2.gz LIXFTXGDHWSXSL-LJQANCHMSA-N 1 3 330.491 4.022 20 0 EIADHO COCC(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000813883295 1049831398 /nfs/dbraw/zinc/83/13/98/1049831398.db2.gz SFFIHKYGARONKC-QGZVFWFLSA-N 1 3 348.531 4.004 20 0 EIADHO C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171977191 1049837110 /nfs/dbraw/zinc/83/71/10/1049837110.db2.gz YCKPOFSKWIREJF-UTKZUKDTSA-N 1 3 337.511 4.363 20 0 EIADHO C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171977191 1049837114 /nfs/dbraw/zinc/83/71/14/1049837114.db2.gz YCKPOFSKWIREJF-UTKZUKDTSA-N 1 3 337.511 4.363 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001172110288 1049856808 /nfs/dbraw/zinc/85/68/08/1049856808.db2.gz MJCGWFWTGHSXCJ-VCBFOTQLSA-N 1 3 334.454 4.217 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001172110288 1049856809 /nfs/dbraw/zinc/85/68/09/1049856809.db2.gz MJCGWFWTGHSXCJ-VCBFOTQLSA-N 1 3 334.454 4.217 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001172248620 1049872290 /nfs/dbraw/zinc/87/22/90/1049872290.db2.gz KVMXVQPBWSBRPT-OAQYLSRUSA-N 1 3 348.506 4.148 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000246969522 1050007585 /nfs/dbraw/zinc/00/75/85/1050007585.db2.gz IZPAJPSNOYOGFZ-RHSMWYFYSA-N 1 3 326.431 4.061 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000246969522 1050007589 /nfs/dbraw/zinc/00/75/89/1050007589.db2.gz IZPAJPSNOYOGFZ-RHSMWYFYSA-N 1 3 326.431 4.061 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+]Cc3cccc4ccccc43)C2)cc1 ZINC001177668928 1050273017 /nfs/dbraw/zinc/27/30/17/1050273017.db2.gz KKSRWJJZCJEDFP-OAQYLSRUSA-N 1 3 344.502 4.494 20 0 EIADHO c1ccc(CC[N@@H+]2CC[C@H](CNCc3cccc4ccccc43)C2)cc1 ZINC001177668928 1050273030 /nfs/dbraw/zinc/27/30/30/1050273030.db2.gz KKSRWJJZCJEDFP-OAQYLSRUSA-N 1 3 344.502 4.494 20 0 EIADHO c1ccc(CC[N@H+]2CC[C@H](CNCc3cccc4ccccc43)C2)cc1 ZINC001177668928 1050273037 /nfs/dbraw/zinc/27/30/37/1050273037.db2.gz KKSRWJJZCJEDFP-OAQYLSRUSA-N 1 3 344.502 4.494 20 0 EIADHO CC[NH+](CC)C1CCC(NCc2cc(-c3ccccc3)on2)CC1 ZINC001173103302 1050306344 /nfs/dbraw/zinc/30/63/44/1050306344.db2.gz HSXGIIWSPNCUIV-UHFFFAOYSA-N 1 3 327.472 4.084 20 0 EIADHO CCc1ccc(C[C@H](C)N2CCC([NH3+])(Cc3ccccc3)CC2)cc1 ZINC001173249198 1050376451 /nfs/dbraw/zinc/37/64/51/1050376451.db2.gz KGZYYBHVHBGKKZ-IBGZPJMESA-N 1 3 336.523 4.216 20 0 EIADHO CCCC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001173258052 1050382519 /nfs/dbraw/zinc/38/25/19/1050382519.db2.gz YWTKGFNMEBXHBA-OAQYLSRUSA-N 1 3 331.548 4.488 20 0 EIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093398278 1050585619 /nfs/dbraw/zinc/58/56/19/1050585619.db2.gz KSBHPZQJGDIKMT-CVEARBPZSA-N 1 3 335.561 4.185 20 0 EIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093398278 1050585634 /nfs/dbraw/zinc/58/56/34/1050585634.db2.gz KSBHPZQJGDIKMT-CVEARBPZSA-N 1 3 335.561 4.185 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC001180164848 1050910356 /nfs/dbraw/zinc/91/03/56/1050910356.db2.gz CJYWOWYDLBAIJE-UHFFFAOYSA-N 1 3 328.422 4.316 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC001180164848 1050910373 /nfs/dbraw/zinc/91/03/73/1050910373.db2.gz CJYWOWYDLBAIJE-UHFFFAOYSA-N 1 3 328.422 4.316 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC001180301653 1050945461 /nfs/dbraw/zinc/94/54/61/1050945461.db2.gz OUDFYHZMGVUPNG-KVJIRVJXSA-N 1 3 326.528 4.455 20 0 EIADHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775380433 1051174810 /nfs/dbraw/zinc/17/48/10/1051174810.db2.gz IPQFGRPCLISZLH-BLLLJJGKSA-N 1 3 328.472 4.309 20 0 EIADHO CC(C)(C)[C@]1(C[NH2+][C@@H]2CSC2(C)C)CCN(Cc2ccccc2)C1 ZINC001181204821 1051180369 /nfs/dbraw/zinc/18/03/69/1051180369.db2.gz IMBBSNPNWGJUDA-NQIIRXRSSA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@]1(CN[C@@H]2CSC2(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181204821 1051180376 /nfs/dbraw/zinc/18/03/76/1051180376.db2.gz IMBBSNPNWGJUDA-NQIIRXRSSA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@]1(CN[C@@H]2CSC2(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181204821 1051180387 /nfs/dbraw/zinc/18/03/87/1051180387.db2.gz IMBBSNPNWGJUDA-NQIIRXRSSA-N 1 3 346.584 4.408 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCSC2)ccc1OC ZINC000775397546 1051218032 /nfs/dbraw/zinc/21/80/32/1051218032.db2.gz WDDAHFHITGUISV-CRAIPNDOSA-N 1 3 336.545 4.083 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H](C)c2ccc[nH]2)ccc1OC ZINC000775425332 1051317244 /nfs/dbraw/zinc/31/72/44/1051317244.db2.gz XTDBTCFPNWNQAY-HZPDHXFCSA-N 1 3 329.488 4.277 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1CN1CCCCC1 ZINC000775425299 1051317442 /nfs/dbraw/zinc/31/74/42/1051317442.db2.gz XOENLWBRRLWMMG-SJORKVTESA-N 1 3 341.499 4.421 20 0 EIADHO Cc1c(C)c(C)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1C ZINC001191444108 1051459755 /nfs/dbraw/zinc/45/97/55/1051459755.db2.gz IEJFIRAZNXXCQP-NRFANRHFSA-N 1 3 328.544 4.392 20 0 EIADHO Cc1c(C)c(C)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1C ZINC001191444108 1051459765 /nfs/dbraw/zinc/45/97/65/1051459765.db2.gz IEJFIRAZNXXCQP-NRFANRHFSA-N 1 3 328.544 4.392 20 0 EIADHO CCc1cccc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC001182683869 1051671612 /nfs/dbraw/zinc/67/16/12/1051671612.db2.gz HNIRKEHWZVVIRX-ZRBLBEILSA-N 1 3 334.507 4.392 20 0 EIADHO CCc1cccc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC001182683869 1051671620 /nfs/dbraw/zinc/67/16/20/1051671620.db2.gz HNIRKEHWZVVIRX-ZRBLBEILSA-N 1 3 334.507 4.392 20 0 EIADHO C[C@H]1CCN(Cc2c(Cl)cccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC001205628555 1051915295 /nfs/dbraw/zinc/91/52/95/1051915295.db2.gz VZXUTCYMPLUGOM-NWDGAFQWSA-N 1 3 334.813 4.166 20 0 EIADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]2C1 ZINC001184303249 1051982252 /nfs/dbraw/zinc/98/22/52/1051982252.db2.gz NZSBTSAGSRRTRN-CKEIUWERSA-N 1 3 344.396 4.007 20 0 EIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H](CCc3ccccc3)Cc3ccccc3)[C@H]2C1 ZINC001184389488 1052002158 /nfs/dbraw/zinc/00/21/58/1052002158.db2.gz XKFWUXZHWNYIKD-ZJZGAYNASA-N 1 3 348.534 4.160 20 0 EIADHO Cc1cccc2[nH]cc(CC[NH2+]C3CCN(C4CCCCC4)CC3)c21 ZINC000165217968 1052054997 /nfs/dbraw/zinc/05/49/97/1052054997.db2.gz WCBIABVECYINKA-UHFFFAOYSA-N 1 3 339.527 4.406 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000336890329 1052107126 /nfs/dbraw/zinc/10/71/26/1052107126.db2.gz NNXMLDJSVYXAMH-JOCHJYFZSA-N 1 3 338.495 4.401 20 0 EIADHO c1cc2c(s1)CCC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336707950 1052513297 /nfs/dbraw/zinc/51/32/97/1052513297.db2.gz JFXYQAFAHHBICT-IEBWSBKVSA-N 1 3 326.509 4.237 20 0 EIADHO c1cc2c(s1)CCC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336707950 1052513299 /nfs/dbraw/zinc/51/32/99/1052513299.db2.gz JFXYQAFAHHBICT-IEBWSBKVSA-N 1 3 326.509 4.237 20 0 EIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000177199404 1052674883 /nfs/dbraw/zinc/67/48/83/1052674883.db2.gz STLHGYRENOKRCV-AWEZNQCLSA-N 1 3 347.300 4.362 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000178257998 1052703555 /nfs/dbraw/zinc/70/35/55/1052703555.db2.gz IZQFQBYIKNCSMB-ZDUSSCGKSA-N 1 3 342.405 4.110 20 0 EIADHO COc1ccc(C2CCC([NH2+]C[C@H]3CCCCN(C)C3)CC2)cc1 ZINC000624121874 1052867299 /nfs/dbraw/zinc/86/72/99/1052867299.db2.gz FCTUWUIVOPKRLN-PGYGNJIDSA-N 1 3 330.516 4.043 20 0 EIADHO Fc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccc1Cl ZINC000380910871 1053047252 /nfs/dbraw/zinc/04/72/52/1053047252.db2.gz LQOYBRAFXOJGPH-QGZVFWFLSA-N 1 3 332.850 4.091 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)ccc1OC ZINC000850570787 1053325243 /nfs/dbraw/zinc/32/52/43/1053325243.db2.gz IWTBLYHAACMWCY-QFBILLFUSA-N 1 3 348.531 4.003 20 0 EIADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000383543015 1053352639 /nfs/dbraw/zinc/35/26/39/1053352639.db2.gz UXPFVLFNVNGUBZ-ABSDTBQOSA-N 1 3 326.484 4.458 20 0 EIADHO CCCC[N@H+](CCCOC(F)(F)F)C1CC(C)(C)NC(C)(C)C1 ZINC001196545110 1053697503 /nfs/dbraw/zinc/69/75/03/1053697503.db2.gz KZQJJCVLMZUEIF-UHFFFAOYSA-N 1 3 338.458 4.324 20 0 EIADHO CCCC[N@@H+](CCCOC(F)(F)F)C1CC(C)(C)NC(C)(C)C1 ZINC001196545110 1053697512 /nfs/dbraw/zinc/69/75/12/1053697512.db2.gz KZQJJCVLMZUEIF-UHFFFAOYSA-N 1 3 338.458 4.324 20 0 EIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1c(C)cc(C)nc1C ZINC001196623981 1053715320 /nfs/dbraw/zinc/71/53/20/1053715320.db2.gz WCYDIWFTANOBTR-UHFFFAOYSA-N 1 3 325.500 4.091 20 0 EIADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386432699 1053723479 /nfs/dbraw/zinc/72/34/79/1053723479.db2.gz OOEJLXSFWDMRGI-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000386686412 1053820538 /nfs/dbraw/zinc/82/05/38/1053820538.db2.gz ZCRDBFWRGGDAMF-LQWHRVPQSA-N 1 3 338.495 4.084 20 0 EIADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000765704678 1053850928 /nfs/dbraw/zinc/85/09/28/1053850928.db2.gz ZEQKDTGUVDKPLU-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000765704678 1053850942 /nfs/dbraw/zinc/85/09/42/1053850942.db2.gz ZEQKDTGUVDKPLU-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000765704678 1053850943 /nfs/dbraw/zinc/85/09/43/1053850943.db2.gz ZEQKDTGUVDKPLU-OFNKIYASSA-N 1 3 334.507 4.137 20 0 EIADHO CC(C)Cc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC001199383935 1054403110 /nfs/dbraw/zinc/40/31/10/1054403110.db2.gz LMFUXZDYUIJTSW-UHFFFAOYSA-N 1 3 340.511 4.115 20 0 EIADHO c1ccc(CCC[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672749 1054873377 /nfs/dbraw/zinc/87/33/77/1054873377.db2.gz XEWPHMPDEHYQPR-DHIUTWEWSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCC[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672749 1054873384 /nfs/dbraw/zinc/87/33/84/1054873384.db2.gz XEWPHMPDEHYQPR-DHIUTWEWSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672749 1054873389 /nfs/dbraw/zinc/87/33/89/1054873389.db2.gz XEWPHMPDEHYQPR-DHIUTWEWSA-N 1 3 334.507 4.073 20 0 EIADHO c1ccc(CCCN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001201672749 1054873395 /nfs/dbraw/zinc/87/33/95/1054873395.db2.gz XEWPHMPDEHYQPR-DHIUTWEWSA-N 1 3 334.507 4.073 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000863547890 1055228954 /nfs/dbraw/zinc/22/89/54/1055228954.db2.gz RTPONCALGPQUEE-RCCFBDPRSA-N 1 3 347.453 4.437 20 0 EIADHO Cc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc(C)c1OC(F)F ZINC000742717505 1058755853 /nfs/dbraw/zinc/75/58/53/1058755853.db2.gz JTOVKHJUXBXTGG-UHFFFAOYSA-N 1 3 338.442 4.011 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3cnccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379619229 1060136754 /nfs/dbraw/zinc/13/67/54/1060136754.db2.gz BFNASELXOMSVQN-MBSDFSHPSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3cnccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379619229 1060136769 /nfs/dbraw/zinc/13/67/69/1060136769.db2.gz BFNASELXOMSVQN-MBSDFSHPSA-N 1 3 345.490 4.378 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101517 1060637231 /nfs/dbraw/zinc/63/72/31/1060637231.db2.gz TZEYQEIFWNTAQB-KYHPRHEASA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101517 1060637240 /nfs/dbraw/zinc/63/72/40/1060637240.db2.gz TZEYQEIFWNTAQB-KYHPRHEASA-N 1 3 349.316 4.041 20 0 EIADHO Cc1ccc(C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1 ZINC001169109015 1060658254 /nfs/dbraw/zinc/65/82/54/1060658254.db2.gz GCLNYHFHOLMSNX-GPJHCHHRSA-N 1 3 334.507 4.494 20 0 EIADHO Cc1ccc(C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC001169109015 1060658263 /nfs/dbraw/zinc/65/82/63/1060658263.db2.gz GCLNYHFHOLMSNX-GPJHCHHRSA-N 1 3 334.507 4.494 20 0 EIADHO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)cc2)cc1 ZINC001169107462 1060658543 /nfs/dbraw/zinc/65/85/43/1060658543.db2.gz HJXNNMLGTVNXAC-MZADTFQBSA-N 1 3 336.479 4.077 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160467 1060673538 /nfs/dbraw/zinc/67/35/38/1060673538.db2.gz GHKCVAMGKXBLSQ-SJWGOKEGSA-N 1 3 337.305 4.067 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160467 1060673541 /nfs/dbraw/zinc/67/35/41/1060673541.db2.gz GHKCVAMGKXBLSQ-SJWGOKEGSA-N 1 3 337.305 4.067 20 0 EIADHO C[N@H+](CCCOc1cccc(C(C)(C)C)c1)CCCN1CCCC1 ZINC001169762056 1060952419 /nfs/dbraw/zinc/95/24/19/1060952419.db2.gz QNNOVHFSYULCQO-UHFFFAOYSA-N 1 3 332.532 4.171 20 0 EIADHO C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)CCCN1CCCC1 ZINC001169762056 1060952438 /nfs/dbraw/zinc/95/24/38/1060952438.db2.gz QNNOVHFSYULCQO-UHFFFAOYSA-N 1 3 332.532 4.171 20 0 EIADHO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)CCS2 ZINC000298267465 526371956 /nfs/dbraw/zinc/37/19/56/526371956.db2.gz GELYDTRYELVIRF-SFHVURJKSA-N 1 3 343.471 4.016 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(Br)cs1 ZINC000194089578 1032198092 /nfs/dbraw/zinc/19/80/92/1032198092.db2.gz HLGNFXNWUSTWBA-NSHDSACASA-N 1 3 345.350 4.424 20 0 EIADHO CC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(F)cc1F ZINC000120924353 1032474847 /nfs/dbraw/zinc/47/48/47/1032474847.db2.gz CUTZZWKATPOIAL-IBGZPJMESA-N 1 3 336.401 4.406 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000121298503 1032623208 /nfs/dbraw/zinc/62/32/08/1032623208.db2.gz ADSMFFUVCAJAEV-VDGAXYAQSA-N 1 3 336.495 4.003 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000121298503 1032623217 /nfs/dbraw/zinc/62/32/17/1032623217.db2.gz ADSMFFUVCAJAEV-VDGAXYAQSA-N 1 3 336.495 4.003 20 0 EIADHO C[C@@H](c1cccc(Br)c1)[N@H+](C)CCCN1CCCCC1 ZINC001209452986 1020363404 /nfs/dbraw/zinc/36/34/04/1020363404.db2.gz BHAOPFMVHLUCJN-HNNXBMFYSA-N 1 3 339.321 4.318 20 0 EIADHO C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CCCCC1 ZINC001209452986 1020363408 /nfs/dbraw/zinc/36/34/08/1020363408.db2.gz BHAOPFMVHLUCJN-HNNXBMFYSA-N 1 3 339.321 4.318 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060500 1020512401 /nfs/dbraw/zinc/51/24/01/1020512401.db2.gz ZOMVNJIHEARLML-SJKOYZFVSA-N 1 3 327.299 4.376 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060500 1020512407 /nfs/dbraw/zinc/51/24/07/1020512407.db2.gz ZOMVNJIHEARLML-SJKOYZFVSA-N 1 3 327.299 4.376 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538060500 1020512425 /nfs/dbraw/zinc/51/24/25/1020512425.db2.gz ZOMVNJIHEARLML-SJKOYZFVSA-N 1 3 327.299 4.376 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2ccccc2c1 ZINC000398182562 1020525475 /nfs/dbraw/zinc/52/54/75/1020525475.db2.gz XHRNVYBEYQWKRG-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2ccccc2c1 ZINC000398182562 1020525483 /nfs/dbraw/zinc/52/54/83/1020525483.db2.gz XHRNVYBEYQWKRG-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(NCc2ccc3cnccc3c2)CC1 ZINC000683766113 1021394611 /nfs/dbraw/zinc/39/46/11/1021394611.db2.gz XDMBELDXSZMZIR-UHFFFAOYSA-N 1 3 345.490 4.297 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1nc(Br)cs1 ZINC000834487862 1021672092 /nfs/dbraw/zinc/67/20/92/1021672092.db2.gz PFHGUCBPLUQSGE-NWDGAFQWSA-N 1 3 348.354 4.067 20 0 EIADHO C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)C1CC[NH+](C)CC1 ZINC000089553667 1021928230 /nfs/dbraw/zinc/92/82/30/1021928230.db2.gz KRQVOGNXGQSGER-CABCVRRESA-N 1 3 329.513 4.191 20 0 EIADHO COc1ccccc1[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089554976 1021933774 /nfs/dbraw/zinc/93/37/74/1021933774.db2.gz LDWRYKZKUPTYLC-VGOFRKELSA-N 1 3 338.495 4.105 20 0 EIADHO CN(C/C=C/C[N@H+](C)Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000613391079 1021936691 /nfs/dbraw/zinc/93/66/91/1021936691.db2.gz JCXIERXLPYNVKR-ONEGZZNKSA-N 1 3 330.422 4.085 20 0 EIADHO CN(C/C=C/C[N@@H+](C)Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000613391079 1021936702 /nfs/dbraw/zinc/93/67/02/1021936702.db2.gz JCXIERXLPYNVKR-ONEGZZNKSA-N 1 3 330.422 4.085 20 0 EIADHO COc1cc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C ZINC000580514611 1022137437 /nfs/dbraw/zinc/13/74/37/1022137437.db2.gz YLPRAZMBMRAQEM-GOSISDBHSA-N 1 3 338.495 4.319 20 0 EIADHO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000549032159 1022159390 /nfs/dbraw/zinc/15/93/90/1022159390.db2.gz LNPKMDUPMZZCSE-GDBMZVCRSA-N 1 3 328.422 4.075 20 0 EIADHO c1c2ccccc2[nH]c1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000684019784 1022357991 /nfs/dbraw/zinc/35/79/91/1022357991.db2.gz BNBRTTCJUURWBH-UHFFFAOYSA-N 1 3 325.500 4.256 20 0 EIADHO CN1CCC2(CCC[N@@H+]2Cc2cc(-c3ccccc3)cs2)CC1 ZINC000472597814 1022738517 /nfs/dbraw/zinc/73/85/17/1022738517.db2.gz DHECAJXMCTZXSE-UHFFFAOYSA-N 1 3 326.509 4.475 20 0 EIADHO CN1CCC2(CCC[N@H+]2Cc2cc(-c3ccccc3)cs2)CC1 ZINC000472597814 1022738531 /nfs/dbraw/zinc/73/85/31/1022738531.db2.gz DHECAJXMCTZXSE-UHFFFAOYSA-N 1 3 326.509 4.475 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccs2)ccc1OC ZINC000182220918 1022789086 /nfs/dbraw/zinc/78/90/86/1022789086.db2.gz BMZPYQNOVQUAGM-OAHLLOKOSA-N 1 3 332.513 4.449 20 0 EIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000378407955 1022804995 /nfs/dbraw/zinc/80/49/95/1022804995.db2.gz YRZPDMJZTKPXAI-UXHICEINSA-N 1 3 336.564 4.214 20 0 EIADHO CC[NH+]1CCC(N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545457556 1022852734 /nfs/dbraw/zinc/85/27/34/1022852734.db2.gz GJENLTXWOBVXET-FQEVSTJZSA-N 1 3 343.902 4.093 20 0 EIADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423366132 1022860422 /nfs/dbraw/zinc/86/04/22/1022860422.db2.gz BNTRYFRKQOARBS-IACUBPJLSA-N 1 3 332.435 4.262 20 0 EIADHO CC[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)c1 ZINC000156181849 1023092271 /nfs/dbraw/zinc/09/22/71/1023092271.db2.gz UJLZUMHKENOZQR-LAUBAEHRSA-N 1 3 340.515 4.035 20 0 EIADHO CC[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)c1 ZINC000156181849 1023092282 /nfs/dbraw/zinc/09/22/82/1023092282.db2.gz UJLZUMHKENOZQR-LAUBAEHRSA-N 1 3 340.515 4.035 20 0 EIADHO c1ccc(C[N@H+]2CC[C@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672596 1023254133 /nfs/dbraw/zinc/25/41/33/1023254133.db2.gz OJELGPNBPZUIOD-DENIHFKCSA-N 1 3 335.495 4.035 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000376672596 1023254142 /nfs/dbraw/zinc/25/41/42/1023254142.db2.gz OJELGPNBPZUIOD-DENIHFKCSA-N 1 3 335.495 4.035 20 0 EIADHO CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924600425 1023332507 /nfs/dbraw/zinc/33/25/07/1023332507.db2.gz STNHVQYKPADABV-CVEARBPZSA-N 1 3 339.483 4.118 20 0 EIADHO COc1cccc([C@H](NCC2CC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000415086694 1023436567 /nfs/dbraw/zinc/43/65/67/1023436567.db2.gz SMUDKZFPJLUGNE-FQEVSTJZSA-N 1 3 344.886 4.027 20 0 EIADHO Cc1ccc(C)c(OC2CC[NH+](CC[C@H]3CCCCN3C)CC2)c1 ZINC000472759388 1023511926 /nfs/dbraw/zinc/51/19/26/1023511926.db2.gz KSDKAWSCMDLUBD-LJQANCHMSA-N 1 3 330.516 4.021 20 0 EIADHO c1nc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)sc1-c1ccccc1 ZINC000656783626 1023518737 /nfs/dbraw/zinc/51/87/37/1023518737.db2.gz RLJFTLSRMHHNMX-GOSISDBHSA-N 1 3 341.524 4.022 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cnccc2c1 ZINC000398135722 1023700285 /nfs/dbraw/zinc/70/02/85/1023700285.db2.gz KYXLTWZHIKTRGV-MBSDFSHPSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cnccc2c1 ZINC000398135722 1023700292 /nfs/dbraw/zinc/70/02/92/1023700292.db2.gz KYXLTWZHIKTRGV-MBSDFSHPSA-N 1 3 345.490 4.235 20 0 EIADHO Cc1ccc(-c2nc(CN3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)o1 ZINC000662318117 1025072580 /nfs/dbraw/zinc/07/25/80/1025072580.db2.gz WHRPRQVGSRFCRI-CZUORRHYSA-N 1 3 333.501 4.051 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663466308 1025391250 /nfs/dbraw/zinc/39/12/50/1025391250.db2.gz QWSPOIUYEAHDQO-NJYVYQBISA-N 1 3 341.543 4.128 20 0 EIADHO C[C@H]1C[N@H+](CCCNCc2ccc(-c3ccccc3)s2)CCCO1 ZINC000432349051 1025717799 /nfs/dbraw/zinc/71/77/99/1025717799.db2.gz UNEWOBXUTRPNNO-KRWDZBQOSA-N 1 3 344.524 4.006 20 0 EIADHO C[C@H]1C[N@@H+](CCCNCc2ccc(-c3ccccc3)s2)CCCO1 ZINC000432349051 1025717828 /nfs/dbraw/zinc/71/78/28/1025717828.db2.gz UNEWOBXUTRPNNO-KRWDZBQOSA-N 1 3 344.524 4.006 20 0 EIADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(C)c1O ZINC000582089684 1026116291 /nfs/dbraw/zinc/11/62/91/1026116291.db2.gz QUHZQEVTWLRUNR-PKOBYXMFSA-N 1 3 344.524 4.243 20 0 EIADHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(C)c1O ZINC000582089684 1026116304 /nfs/dbraw/zinc/11/63/04/1026116304.db2.gz QUHZQEVTWLRUNR-PKOBYXMFSA-N 1 3 344.524 4.243 20 0 EIADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(C)c1O ZINC000582089681 1026117204 /nfs/dbraw/zinc/11/72/04/1026117204.db2.gz QUHZQEVTWLRUNR-HKUYNNGSSA-N 1 3 344.524 4.243 20 0 EIADHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(C)c1O ZINC000582089681 1026117206 /nfs/dbraw/zinc/11/72/06/1026117206.db2.gz QUHZQEVTWLRUNR-HKUYNNGSSA-N 1 3 344.524 4.243 20 0 EIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550239233 1026390749 /nfs/dbraw/zinc/39/07/49/1026390749.db2.gz TUPAZDOIFKPBPH-WMLDXEAASA-N 1 3 326.406 4.184 20 0 EIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550239233 1026390761 /nfs/dbraw/zinc/39/07/61/1026390761.db2.gz TUPAZDOIFKPBPH-WMLDXEAASA-N 1 3 326.406 4.184 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000582328343 1026453631 /nfs/dbraw/zinc/45/36/31/1026453631.db2.gz VBLBLQNFEDQMQK-NVXWUHKLSA-N 1 3 342.449 4.346 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000582328344 1026453979 /nfs/dbraw/zinc/45/39/79/1026453979.db2.gz VBLBLQNFEDQMQK-RDJZCZTQSA-N 1 3 342.449 4.346 20 0 EIADHO C[NH+](C)CC1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000506892810 1026506065 /nfs/dbraw/zinc/50/60/65/1026506065.db2.gz FYWANGNCRYIFJY-UHFFFAOYSA-N 1 3 332.488 4.328 20 0 EIADHO Fc1ccc(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000432666731 1026699928 /nfs/dbraw/zinc/69/99/28/1026699928.db2.gz FOYNEZMQYYHLQA-SFHVURJKSA-N 1 3 330.472 4.032 20 0 EIADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCCS2 ZINC000187964684 1026862481 /nfs/dbraw/zinc/86/24/81/1026862481.db2.gz IIFXFDGMSHGQPO-QFBILLFUSA-N 1 3 348.556 4.332 20 0 EIADHO C[C@H](NC1CCC([NH+]2CCCCC2)CC1)c1nc2ccccc2n1C ZINC000091368214 1026906859 /nfs/dbraw/zinc/90/68/59/1026906859.db2.gz NYCQJMQNMIRROT-AOCRQIFASA-N 1 3 340.515 4.021 20 0 EIADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3nc(-c4ccccc4)sc32)cc1 ZINC000519707747 1026965106 /nfs/dbraw/zinc/96/51/06/1026965106.db2.gz GCRBTZWIIHMIQS-SFHVURJKSA-N 1 3 349.503 4.436 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@H](C)[N@@H+]2CCCC[C@@H](SC)C2)C1 ZINC000441107188 1027274969 /nfs/dbraw/zinc/27/49/69/1027274969.db2.gz WNMUZKYXZQAXDA-RCCFBDPRSA-N 1 3 344.634 4.200 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@H](C)[N@H+]2CCCC[C@@H](SC)C2)C1 ZINC000441107188 1027274993 /nfs/dbraw/zinc/27/49/93/1027274993.db2.gz WNMUZKYXZQAXDA-RCCFBDPRSA-N 1 3 344.634 4.200 20 0 EIADHO Cc1cc(C)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C ZINC000657612744 1027302834 /nfs/dbraw/zinc/30/28/34/1027302834.db2.gz QZYBDANNDIHMPC-UHFFFAOYSA-N 1 3 337.511 4.009 20 0 EIADHO C[C@@H]1C[C@@H](N2CCc3ccccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039974 1027353126 /nfs/dbraw/zinc/35/31/26/1027353126.db2.gz JEZKLHMOMIMYEP-BBIADKPPSA-N 1 3 334.507 4.486 20 0 EIADHO C[C@@H]1C[C@@H](N2CCc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039974 1027353133 /nfs/dbraw/zinc/35/31/33/1027353133.db2.gz JEZKLHMOMIMYEP-BBIADKPPSA-N 1 3 334.507 4.486 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391665 1027513591 /nfs/dbraw/zinc/51/35/91/1027513591.db2.gz BIJGRLVQHCEYQJ-PZJWPPBQSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cccc(C)c1OCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441391665 1027513600 /nfs/dbraw/zinc/51/36/00/1027513600.db2.gz BIJGRLVQHCEYQJ-PZJWPPBQSA-N 1 3 342.527 4.021 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474814763 1027537917 /nfs/dbraw/zinc/53/79/17/1027537917.db2.gz DPGHMMAIHRQAML-AIEDFZFUSA-N 1 3 326.937 4.356 20 0 EIADHO CCCOc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1OC ZINC000444606736 1027888130 /nfs/dbraw/zinc/88/81/30/1027888130.db2.gz GTGSRJNCYOXXRP-KRWDZBQOSA-N 1 3 334.504 4.011 20 0 EIADHO COc1cc([C@H](C)[NH2+]CCCN2CCCCC2)ccc1OC(C)C ZINC000444607302 1027888653 /nfs/dbraw/zinc/88/86/53/1027888653.db2.gz IJCOOROTYJUIMT-KRWDZBQOSA-N 1 3 334.504 4.009 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000583528843 1028846352 /nfs/dbraw/zinc/84/63/52/1028846352.db2.gz OPBHMMOBNQTZMM-GOSISDBHSA-N 1 3 339.483 4.401 20 0 EIADHO C[NH+]1CCC2(CCCN2Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000475130303 1029277120 /nfs/dbraw/zinc/27/71/20/1029277120.db2.gz VIHIXIPSLBNUMU-UHFFFAOYSA-N 1 3 328.431 4.146 20 0 EIADHO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCN1C ZINC000525207853 1029514527 /nfs/dbraw/zinc/51/45/27/1029514527.db2.gz RFDBKVYVIQJXKK-YOEHRIQHSA-N 1 3 336.907 4.234 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(-c3c(F)cccc3F)o1)C2 ZINC000584080721 1029600290 /nfs/dbraw/zinc/60/02/90/1029600290.db2.gz PKTILBOTTSLBMU-YIONKMFJSA-N 1 3 346.421 4.282 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(-c3c(F)cccc3F)o1)C2 ZINC000584080721 1029600294 /nfs/dbraw/zinc/60/02/94/1029600294.db2.gz PKTILBOTTSLBMU-YIONKMFJSA-N 1 3 346.421 4.282 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc(C2CC2)c1 ZINC000708502471 1029744019 /nfs/dbraw/zinc/74/40/19/1029744019.db2.gz HNSCXKKPRRKWIP-MBSDFSHPSA-N 1 3 334.507 4.422 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc(C2CC2)c1 ZINC000708502471 1029744025 /nfs/dbraw/zinc/74/40/25/1029744025.db2.gz HNSCXKKPRRKWIP-MBSDFSHPSA-N 1 3 334.507 4.422 20 0 EIADHO FC(F)(F)c1cccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000091284505 1029882359 /nfs/dbraw/zinc/88/23/59/1029882359.db2.gz UDAASVJVOSSRAX-SCLBCKFNSA-N 1 3 338.417 4.230 20 0 EIADHO FC(F)(F)c1cccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000091284505 1029882362 /nfs/dbraw/zinc/88/23/62/1029882362.db2.gz UDAASVJVOSSRAX-SCLBCKFNSA-N 1 3 338.417 4.230 20 0 EIADHO c1nc(C2CC2)sc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769362 1029991246 /nfs/dbraw/zinc/99/12/46/1029991246.db2.gz DXUUMSHRBRQNMR-UHFFFAOYSA-N 1 3 333.545 4.109 20 0 EIADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(F)cc3C(F)(F)F)C2)CC1 ZINC000685462796 1030341895 /nfs/dbraw/zinc/34/18/95/1030341895.db2.gz FLHPLUOTMCXRFE-CQSZACIVSA-N 1 3 344.396 4.008 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc2cccnc21 ZINC000708571134 1030390666 /nfs/dbraw/zinc/39/06/66/1030390666.db2.gz QRYGAPPCCUQJCV-AVRDEDQJSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc2cccnc21 ZINC000708571134 1030390681 /nfs/dbraw/zinc/39/06/81/1030390681.db2.gz QRYGAPPCCUQJCV-AVRDEDQJSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000708571134 1030390701 /nfs/dbraw/zinc/39/07/01/1030390701.db2.gz QRYGAPPCCUQJCV-AVRDEDQJSA-N 1 3 345.490 4.093 20 0 EIADHO Clc1ccccc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062426676 1030427598 /nfs/dbraw/zinc/42/75/98/1030427598.db2.gz QRZMJEIUHCNCNG-SFHVURJKSA-N 1 3 328.887 4.342 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000398037985 1030688697 /nfs/dbraw/zinc/68/86/97/1030688697.db2.gz QOMYXALHUONLMM-XGHQBKJUSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000398037985 1030688709 /nfs/dbraw/zinc/68/87/09/1030688709.db2.gz QOMYXALHUONLMM-XGHQBKJUSA-N 1 3 326.459 4.387 20 0 EIADHO c1cc2ccc(CNCc3ccccc3C[NH+]3CCCCC3)cc2[nH]1 ZINC000527633978 1030787473 /nfs/dbraw/zinc/78/74/73/1030787473.db2.gz SUKAMGVZLWGFOC-UHFFFAOYSA-N 1 3 333.479 4.444 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[C@H]1C ZINC000658164161 1030860609 /nfs/dbraw/zinc/86/06/09/1030860609.db2.gz MUAAOPDCAGWDCV-DBXWQHBBSA-N 1 3 329.532 4.098 20 0 EIADHO c1ccc([C@H]2CCC[C@H]2[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168776 1030864455 /nfs/dbraw/zinc/86/44/55/1030864455.db2.gz YSOOTCPXIWSFSZ-DHIUTWEWSA-N 1 3 349.522 4.220 20 0 EIADHO CC(C)CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658166181 1030864666 /nfs/dbraw/zinc/86/46/66/1030864666.db2.gz MXPIGJBPADPPEN-NRFANRHFSA-N 1 3 329.532 4.098 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658166172 1030864937 /nfs/dbraw/zinc/86/49/37/1030864937.db2.gz MVXIPYXZJDPJPX-TZYHBYERSA-N 1 3 349.522 4.075 20 0 EIADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000658255849 1030928225 /nfs/dbraw/zinc/92/82/25/1030928225.db2.gz WOSDQJHISCPTBZ-RBUKOAKNSA-N 1 3 334.548 4.109 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)ccc1OC ZINC000527930124 1030971887 /nfs/dbraw/zinc/97/18/87/1030971887.db2.gz PVHNLVVAKDDYHW-ROUUACIJSA-N 1 3 348.531 4.004 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000531702748 1031487567 /nfs/dbraw/zinc/48/75/67/1031487567.db2.gz TYDRLLRBGIBIIT-OAQYLSRUSA-N 1 3 340.536 4.259 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CSCCc3ccccc32)c1 ZINC000531702748 1031487580 /nfs/dbraw/zinc/48/75/80/1031487580.db2.gz TYDRLLRBGIBIIT-OAQYLSRUSA-N 1 3 340.536 4.259 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccoc1 ZINC000531719687 1031521047 /nfs/dbraw/zinc/52/10/47/1031521047.db2.gz BDUKLOVQIQUWBW-OAHLLOKOSA-N 1 3 332.875 4.496 20 0 EIADHO C[C@@H]1CC[C@H](NCc2ccccc2OCC[NH+](C)C)c2sccc21 ZINC000453094783 1031591291 /nfs/dbraw/zinc/59/12/91/1031591291.db2.gz SZDKZRZDUTVPIA-QAPCUYQASA-N 1 3 344.524 4.417 20 0 EIADHO COCC1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000449338109 1031655392 /nfs/dbraw/zinc/65/53/92/1031655392.db2.gz RNKCRZBIFMILQM-ORFBVSJDSA-N 1 3 344.543 4.084 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449561691 1031848039 /nfs/dbraw/zinc/84/80/39/1031848039.db2.gz XHFFIDVNXQQLDE-FENUFBNTSA-N 1 3 338.417 4.324 20 0 EIADHO CN(CCCSc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512559952 1033378870 /nfs/dbraw/zinc/37/88/70/1033378870.db2.gz BAORETBWXOHZKO-XYPWUTKMSA-N 1 3 338.948 4.379 20 0 EIADHO CN(CCCSc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512559952 1033378888 /nfs/dbraw/zinc/37/88/88/1033378888.db2.gz BAORETBWXOHZKO-XYPWUTKMSA-N 1 3 338.948 4.379 20 0 EIADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000512632311 1033556500 /nfs/dbraw/zinc/55/65/00/1033556500.db2.gz YZSBOIQZBGAPKD-DFQSSKMNSA-N 1 3 348.481 4.455 20 0 EIADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000512653430 1033621075 /nfs/dbraw/zinc/62/10/75/1033621075.db2.gz FHIFODHMDTVILA-FGTMMUONSA-N 1 3 340.433 4.219 20 0 EIADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000501419516 1035441775 /nfs/dbraw/zinc/44/17/75/1035441775.db2.gz GZYHKHYRHXXEET-IPJDOKCGSA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000501419516 1035441779 /nfs/dbraw/zinc/44/17/79/1035441779.db2.gz GZYHKHYRHXXEET-IPJDOKCGSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000501466377 1035450182 /nfs/dbraw/zinc/45/01/82/1035450182.db2.gz JNXGAHNQKXKFCR-PXXUHZIESA-N 1 3 326.406 4.181 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000501466377 1035450189 /nfs/dbraw/zinc/45/01/89/1035450189.db2.gz JNXGAHNQKXKFCR-PXXUHZIESA-N 1 3 326.406 4.181 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000575115336 1035707733 /nfs/dbraw/zinc/70/77/33/1035707733.db2.gz YHMUJLHZAJRIJR-QGZVFWFLSA-N 1 3 337.511 4.401 20 0 EIADHO Clc1csc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000486928362 1036894268 /nfs/dbraw/zinc/89/42/68/1036894268.db2.gz UZDWHGQMYZMKPL-ZDUSSCGKSA-N 1 3 340.945 4.465 20 0 EIADHO Clc1csc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000486928362 1036894275 /nfs/dbraw/zinc/89/42/75/1036894275.db2.gz UZDWHGQMYZMKPL-ZDUSSCGKSA-N 1 3 340.945 4.465 20 0 EIADHO C(=C\c1ccncc1)\CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000486966685 1036907426 /nfs/dbraw/zinc/90/74/26/1036907426.db2.gz MGNOCWJCKMMOQY-TWGQIWQCSA-N 1 3 335.495 4.261 20 0 EIADHO CC1CC[NH+](Cc2ccccc2CNC/C=C\c2ccncc2)CC1 ZINC000486990978 1036939025 /nfs/dbraw/zinc/93/90/25/1036939025.db2.gz SAVBGXHYBZRHIL-PLNGDYQASA-N 1 3 335.495 4.117 20 0 EIADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000760832428 1037452805 /nfs/dbraw/zinc/45/28/05/1037452805.db2.gz XZQQKTIIUYYYMU-KRWDZBQOSA-N 1 3 349.588 4.494 20 0 EIADHO Fc1ccc([C@@H]([NH2+]C2CCN(CC3CC3)CC2)C2CC2)cc1Cl ZINC000573316609 1037476609 /nfs/dbraw/zinc/47/66/09/1037476609.db2.gz BQDPMKRLJJCZSS-IBGZPJMESA-N 1 3 336.882 4.394 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418427 1037572717 /nfs/dbraw/zinc/57/27/17/1037572717.db2.gz XMICPRCWBUUDIR-AYOQOUSVSA-N 1 3 332.557 4.484 20 0 EIADHO Cc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)c1 ZINC000422713324 1037810931 /nfs/dbraw/zinc/81/09/31/1037810931.db2.gz PNLPDRHYECLCMQ-WEYGHZABSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000422718235 1037813458 /nfs/dbraw/zinc/81/34/58/1037813458.db2.gz PMSBLRFWBQWYJS-VBKZILBWSA-N 1 3 327.447 4.180 20 0 EIADHO CCc1ccc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422741919 1037822790 /nfs/dbraw/zinc/82/27/90/1037822790.db2.gz FPGMCERHCOVOBM-XUEUYAKLSA-N 1 3 336.479 4.156 20 0 EIADHO COc1cccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)c1 ZINC000422776014 1037830225 /nfs/dbraw/zinc/83/02/25/1037830225.db2.gz BVQRLMXSYKEFPU-IFXJQAMLSA-N 1 3 332.875 4.155 20 0 EIADHO COc1ccccc1[C@H](CC(C)C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422825933 1037841990 /nfs/dbraw/zinc/84/19/90/1037841990.db2.gz QFLMOVBVDAIJPA-JXFKEZNVSA-N 1 3 341.499 4.295 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422886487 1037853928 /nfs/dbraw/zinc/85/39/28/1037853928.db2.gz JELIRGZBCNHKPS-MRXNPFEDSA-N 1 3 349.478 4.122 20 0 EIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422911803 1037865821 /nfs/dbraw/zinc/86/58/21/1037865821.db2.gz LOPNYHHTODRSAB-FTNBBQJZSA-N 1 3 330.859 4.150 20 0 EIADHO Cc1cc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422921444 1037868943 /nfs/dbraw/zinc/86/89/43/1037868943.db2.gz PUVDPGSUIITNAQ-DLVCFXQMSA-N 1 3 340.442 4.041 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCCc1ccc(F)cc1 ZINC000423066534 1037927983 /nfs/dbraw/zinc/92/79/83/1037927983.db2.gz WZCBIQNETQFHGR-HNNXBMFYSA-N 1 3 329.463 4.051 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099658 1037958783 /nfs/dbraw/zinc/95/87/83/1037958783.db2.gz MGEOSJPMBHURKK-XEBKBJJBSA-N 1 3 347.865 4.238 20 0 EIADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100582 1037961057 /nfs/dbraw/zinc/96/10/57/1037961057.db2.gz HCVXLRKMZGHJND-XJKSGUPXSA-N 1 3 335.904 4.071 20 0 EIADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423101824 1037963355 /nfs/dbraw/zinc/96/33/55/1037963355.db2.gz DFRGJPBIGBFZBZ-QAGBHRCTSA-N 1 3 336.479 4.072 20 0 EIADHO Cc1cc([C@@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000423146629 1037998723 /nfs/dbraw/zinc/99/87/23/1037998723.db2.gz PUVDPGSUIITNAQ-JJXUHFIVSA-N 1 3 340.442 4.041 20 0 EIADHO Fc1ccc([C@@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423248551 1038081853 /nfs/dbraw/zinc/08/18/53/1038081853.db2.gz NIDLYUCAVUZDIU-IFXJQAMLSA-N 1 3 332.850 4.158 20 0 EIADHO C[C@H]1C[C@H]([NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)CCN1 ZINC000423377839 1038190557 /nfs/dbraw/zinc/19/05/57/1038190557.db2.gz KNWHUARWQYUTEW-VDEYCQILSA-N 1 3 340.433 4.462 20 0 EIADHO C[C@H](CCCc1cccnc1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395193 1038204011 /nfs/dbraw/zinc/20/40/11/1038204011.db2.gz NGESZXGOKITFQF-VGSWGCGISA-N 1 3 333.479 4.236 20 0 EIADHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574962 1038221576 /nfs/dbraw/zinc/22/15/76/1038221576.db2.gz IWCUBFKIBVQUGL-LPHOPBHVSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574962 1038221602 /nfs/dbraw/zinc/22/16/02/1038221602.db2.gz IWCUBFKIBVQUGL-LPHOPBHVSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574953 1038222237 /nfs/dbraw/zinc/22/22/37/1038222237.db2.gz IWCUBFKIBVQUGL-VQIMIIECSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(Cl)c2)CCN1Cc1ccccc1 ZINC000172574953 1038222266 /nfs/dbraw/zinc/22/22/66/1038222266.db2.gz IWCUBFKIBVQUGL-VQIMIIECSA-N 1 3 343.902 4.220 20 0 EIADHO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423467458 1038245419 /nfs/dbraw/zinc/24/54/19/1038245419.db2.gz IYTMEFHQWWHVNF-RAUXBKROSA-N 1 3 336.470 4.027 20 0 EIADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423478945 1038249668 /nfs/dbraw/zinc/24/96/68/1038249668.db2.gz UYKHXSSPDUXXCQ-KGLIPLIRSA-N 1 3 335.904 4.168 20 0 EIADHO Fc1ccc(OCCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000480764460 1038790897 /nfs/dbraw/zinc/79/08/97/1038790897.db2.gz XNNRODFJHOHMHA-UHFFFAOYSA-N 1 3 348.506 4.371 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@H](C(C)(C)C)C3)CC2)C1 ZINC000539064332 1038809219 /nfs/dbraw/zinc/80/92/19/1038809219.db2.gz AJXYNXNAEJYTCX-LMCOJAPRSA-N 1 3 336.564 4.213 20 0 EIADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000608510637 1038842977 /nfs/dbraw/zinc/84/29/77/1038842977.db2.gz YOJSUVALRGUGLD-LJQANCHMSA-N 1 3 328.525 4.319 20 0 EIADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000608510637 1038842978 /nfs/dbraw/zinc/84/29/78/1038842978.db2.gz YOJSUVALRGUGLD-LJQANCHMSA-N 1 3 328.525 4.319 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023383 1038959073 /nfs/dbraw/zinc/95/90/73/1038959073.db2.gz NDLRMRVNLVIEHW-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023383 1038959102 /nfs/dbraw/zinc/95/91/02/1038959102.db2.gz NDLRMRVNLVIEHW-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000414802845 1038967063 /nfs/dbraw/zinc/96/70/63/1038967063.db2.gz BWYDXRVSWRKLBI-NSHDSACASA-N 1 3 340.801 4.251 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2)c2sccc2C)C1 ZINC000481314193 1039285473 /nfs/dbraw/zinc/28/54/73/1039285473.db2.gz BNPWDZBOPYSXCH-RTBURBONSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc[nH+]1 ZINC000478271006 1039599882 /nfs/dbraw/zinc/59/98/82/1039599882.db2.gz YCSHOBSHEOONBU-UHFFFAOYSA-N 1 3 343.474 4.302 20 0 EIADHO Cc1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)cc1C ZINC000122323368 1039637794 /nfs/dbraw/zinc/63/77/94/1039637794.db2.gz LPDAIRYUKFSSCT-GOSISDBHSA-N 1 3 326.484 4.095 20 0 EIADHO Cc1cc(C)cc([C@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122274871 1039639385 /nfs/dbraw/zinc/63/93/85/1039639385.db2.gz AQDLFNYGPDZCAK-SFHVURJKSA-N 1 3 326.484 4.095 20 0 EIADHO Clc1sc(Cl)c2c1CCC[C@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643536946 1039748818 /nfs/dbraw/zinc/74/88/18/1039748818.db2.gz XLZAWOZYFUOROT-MNOVXSKESA-N 1 3 331.312 4.164 20 0 EIADHO CCc1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000481718388 1039774640 /nfs/dbraw/zinc/77/46/40/1039774640.db2.gz AEVPBSOSUSIAEV-KRWDZBQOSA-N 1 3 326.484 4.040 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000481734914 1039800581 /nfs/dbraw/zinc/80/05/81/1039800581.db2.gz XPIFMUXVOPGPFB-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000481734914 1039800583 /nfs/dbraw/zinc/80/05/83/1039800583.db2.gz XPIFMUXVOPGPFB-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000482328901 1040178147 /nfs/dbraw/zinc/17/81/47/1040178147.db2.gz IVLIDVYIAYJZSV-MAUKXSAKSA-N 1 3 340.458 4.449 20 0 EIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000482462791 1040271415 /nfs/dbraw/zinc/27/14/15/1040271415.db2.gz XMIQLEIDEPGICQ-IEBWSBKVSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000482462791 1040271429 /nfs/dbraw/zinc/27/14/29/1040271429.db2.gz XMIQLEIDEPGICQ-IEBWSBKVSA-N 1 3 328.525 4.272 20 0 EIADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(OC(F)F)c1 ZINC000483201214 1040759948 /nfs/dbraw/zinc/75/99/48/1040759948.db2.gz PKQSOPNNXDTTFM-XJKSGUPXSA-N 1 3 328.447 4.305 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000554360893 1041035228 /nfs/dbraw/zinc/03/52/28/1041035228.db2.gz NOJUEJRABOUHFF-ICSRJNTNSA-N 1 3 332.919 4.330 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000538099448 1041036041 /nfs/dbraw/zinc/03/60/41/1041036041.db2.gz UUTGBCLPYPLDTJ-NRFANRHFSA-N 1 3 342.458 4.007 20 0 EIADHO CC(C)[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000538116498 1041048746 /nfs/dbraw/zinc/04/87/46/1041048746.db2.gz LBVMBCFTTNZXOD-NYVOZVTQSA-N 1 3 337.511 4.421 20 0 EIADHO CC(C)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccnc1 ZINC000538116498 1041048760 /nfs/dbraw/zinc/04/87/60/1041048760.db2.gz LBVMBCFTTNZXOD-NYVOZVTQSA-N 1 3 337.511 4.421 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000538103100 1041059790 /nfs/dbraw/zinc/05/97/90/1041059790.db2.gz UCVDGXKNAXNMFA-NZQKXSOJSA-N 1 3 334.507 4.292 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000538259734 1041219795 /nfs/dbraw/zinc/21/97/95/1041219795.db2.gz NEMQVUHNXZRIPY-XLIONFOSSA-N 1 3 338.495 4.497 20 0 EIADHO CSc1ccccc1[C@@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000194855240 1041234210 /nfs/dbraw/zinc/23/42/10/1041234210.db2.gz LXKMWLKWPWOPQE-MRXNPFEDSA-N 1 3 344.524 4.200 20 0 EIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(O)c1 ZINC000194850331 1041236046 /nfs/dbraw/zinc/23/60/46/1041236046.db2.gz BECWMRSHCLBGMU-ROUUACIJSA-N 1 3 338.495 4.475 20 0 EIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(O)c1 ZINC000194850331 1041236059 /nfs/dbraw/zinc/23/60/59/1041236059.db2.gz BECWMRSHCLBGMU-ROUUACIJSA-N 1 3 338.495 4.475 20 0 EIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000484472554 1041246724 /nfs/dbraw/zinc/24/67/24/1041246724.db2.gz KVMMPHJPXGJDCA-CKEIUWERSA-N 1 3 342.405 4.035 20 0 EIADHO c1ccc(C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C2CC2)cc1 ZINC000484490418 1041262392 /nfs/dbraw/zinc/26/23/92/1041262392.db2.gz QEIATDOXEMDNHX-QFIPXVFZSA-N 1 3 326.528 4.394 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445712 1041305546 /nfs/dbraw/zinc/30/55/46/1041305546.db2.gz OMUYKTOXCRVFEZ-YWZLYKJASA-N 1 3 328.431 4.048 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445712 1041305564 /nfs/dbraw/zinc/30/55/64/1041305564.db2.gz OMUYKTOXCRVFEZ-YWZLYKJASA-N 1 3 328.431 4.048 20 0 EIADHO Cc1ccc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463133535 1041368014 /nfs/dbraw/zinc/36/80/14/1041368014.db2.gz TZDPKHMRBFMBMT-CTNGQTDRSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000463133535 1041368028 /nfs/dbraw/zinc/36/80/28/1041368028.db2.gz TZDPKHMRBFMBMT-CTNGQTDRSA-N 1 3 338.495 4.017 20 0 EIADHO CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCO1 ZINC000538579549 1041430851 /nfs/dbraw/zinc/43/08/51/1041430851.db2.gz XACSQFSAXHDBFI-FYZZASKESA-N 1 3 336.564 4.213 20 0 EIADHO Cc1sc([C@@H](C)NC2CC(C[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000904363814 1041459441 /nfs/dbraw/zinc/45/94/41/1041459441.db2.gz NPSPENZESJVVHA-CKQAKLJMSA-N 1 3 335.904 4.160 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C[C@@H](C)O1 ZINC000464059666 1041844802 /nfs/dbraw/zinc/84/48/02/1041844802.db2.gz ZCTOVZJSENYSTE-VURPSTOHSA-N 1 3 344.543 4.048 20 0 EIADHO C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)CN(C)C ZINC000425945564 1042045889 /nfs/dbraw/zinc/04/58/89/1042045889.db2.gz RHVBOGOIZNXPCT-UNEWFSDZSA-N 1 3 328.422 4.129 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000542176808 1042328633 /nfs/dbraw/zinc/32/86/33/1042328633.db2.gz DMQDENCUJKVVCX-UHFFFAOYSA-N 1 3 335.561 4.355 20 0 EIADHO C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309912990 1042824239 /nfs/dbraw/zinc/82/42/39/1042824239.db2.gz MWGOGHDMVJUKMZ-HOCLYGCPSA-N 1 3 334.916 4.402 20 0 EIADHO C[C@H]([NH2+]CCSc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310170865 1042829966 /nfs/dbraw/zinc/82/99/66/1042829966.db2.gz UAUPBAFOHWMDDW-AZUAARDMSA-N 1 3 340.536 4.279 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311524985 1042861455 /nfs/dbraw/zinc/86/14/55/1042861455.db2.gz JZUIOWKBHLHJBI-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2ncccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311524985 1042861457 /nfs/dbraw/zinc/86/14/57/1042861457.db2.gz JZUIOWKBHLHJBI-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2ncccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311524985 1042861461 /nfs/dbraw/zinc/86/14/61/1042861461.db2.gz JZUIOWKBHLHJBI-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000166447783 1043086083 /nfs/dbraw/zinc/08/60/83/1043086083.db2.gz WPZSKDNJVNHWPM-HZSPNIEDSA-N 1 3 327.299 4.313 20 0 EIADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000166447783 1043086097 /nfs/dbraw/zinc/08/60/97/1043086097.db2.gz WPZSKDNJVNHWPM-HZSPNIEDSA-N 1 3 327.299 4.313 20 0 EIADHO Cc1cncc([C@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000184265870 1043087446 /nfs/dbraw/zinc/08/74/46/1043087446.db2.gz VRPUQTYFPZAWMN-IBGZPJMESA-N 1 3 337.511 4.473 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000171128899 1043451894 /nfs/dbraw/zinc/45/18/94/1043451894.db2.gz AOZASJUTIPUEDN-SFHVURJKSA-N 1 3 330.472 4.214 20 0 EIADHO COCCC[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(F)cc1 ZINC000442643868 1043790881 /nfs/dbraw/zinc/79/08/81/1043790881.db2.gz GUQVXWVGZAZQDG-FQEVSTJZSA-N 1 3 336.495 4.005 20 0 EIADHO CC(C)[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000542487822 1043798465 /nfs/dbraw/zinc/79/84/65/1043798465.db2.gz HPTICCGNSLVHSQ-DNVCBOLYSA-N 1 3 345.487 4.085 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc3[nH]ccc3c2)CC1 ZINC000442811728 1043852836 /nfs/dbraw/zinc/85/28/36/1043852836.db2.gz PHIGMUBRCVUVIN-VGSWGCGISA-N 1 3 339.527 4.343 20 0 EIADHO COCCC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(F)cc1 ZINC000442861301 1043864248 /nfs/dbraw/zinc/86/42/48/1043864248.db2.gz UBHCUHSEWDENDT-PXNSSMCTSA-N 1 3 336.495 4.148 20 0 EIADHO c1ccc(SC2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166560167 1044036209 /nfs/dbraw/zinc/03/62/09/1044036209.db2.gz LSAGWGNZEOWXAD-QZTJIDSGSA-N 1 3 330.541 4.308 20 0 EIADHO c1ccc(SC2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCCC2)cc1 ZINC000166560167 1044036227 /nfs/dbraw/zinc/03/62/27/1044036227.db2.gz LSAGWGNZEOWXAD-QZTJIDSGSA-N 1 3 330.541 4.308 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000474065802 1044341611 /nfs/dbraw/zinc/34/16/11/1044341611.db2.gz HBEQVLFMTPOMNV-IBGZPJMESA-N 1 3 330.516 4.270 20 0 EIADHO C[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000542518626 1044451627 /nfs/dbraw/zinc/45/16/27/1044451627.db2.gz YAQCJYSMFXEDPK-NZQKXSOJSA-N 1 3 336.523 4.019 20 0 EIADHO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(N)c1 ZINC001168026960 1044724774 /nfs/dbraw/zinc/72/47/74/1044724774.db2.gz MPVSXSRFJAWQRC-SUWCGCSTSA-N 1 3 337.511 4.361 20 0 EIADHO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(N)c1 ZINC001168026960 1044724791 /nfs/dbraw/zinc/72/47/91/1044724791.db2.gz MPVSXSRFJAWQRC-SUWCGCSTSA-N 1 3 337.511 4.361 20 0 EIADHO C[C@@H](NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccc(N)cc1 ZINC001168028534 1044744395 /nfs/dbraw/zinc/74/43/95/1044744395.db2.gz PGIKSLUUXRPRBE-KZNAEPCWSA-N 1 3 337.511 4.361 20 0 EIADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000673600441 1044854637 /nfs/dbraw/zinc/85/46/37/1044854637.db2.gz XCQRJQGARZZKLI-MBSJSRAVSA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000673600441 1044854640 /nfs/dbraw/zinc/85/46/40/1044854640.db2.gz XCQRJQGARZZKLI-MBSJSRAVSA-N 1 3 326.406 4.040 20 0 EIADHO Fc1ccccc1C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000191693416 1044908389 /nfs/dbraw/zinc/90/83/89/1044908389.db2.gz QZVQIMHCSYXDAF-VGSWGCGISA-N 1 3 338.470 4.183 20 0 EIADHO Fc1ccccc1C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000191693416 1044908414 /nfs/dbraw/zinc/90/84/14/1044908414.db2.gz QZVQIMHCSYXDAF-VGSWGCGISA-N 1 3 338.470 4.183 20 0 EIADHO Cc1nc([C@H](C)N2CC[C@@H](C[NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000923494882 1045135449 /nfs/dbraw/zinc/13/54/49/1045135449.db2.gz PYRMSXMOXSPFOQ-INWMFGNUSA-N 1 3 347.890 4.281 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768101100 1045713435 /nfs/dbraw/zinc/71/34/35/1045713435.db2.gz HISCZRPDWNOOSY-XLIONFOSSA-N 1 3 330.516 4.173 20 0 EIADHO CC(C)c1ccc(C2(O)CCC([NH2+]CCCN(C)C(C)C)CC2)cc1 ZINC000769006307 1045876444 /nfs/dbraw/zinc/87/64/44/1045876444.db2.gz YZUPHPOSJUCUAB-UHFFFAOYSA-N 1 3 346.559 4.260 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000037150099 1046013540 /nfs/dbraw/zinc/01/35/40/1046013540.db2.gz OTAGMMKMWMZPQG-AWEZNQCLSA-N 1 3 339.321 4.364 20 0 EIADHO Cc1cc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)c(C)s1 ZINC000162539883 1046330016 /nfs/dbraw/zinc/33/00/16/1046330016.db2.gz AGGDAGUGXZAFAX-OAHLLOKOSA-N 1 3 332.513 4.156 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3cc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379618872 1046709855 /nfs/dbraw/zinc/70/98/55/1046709855.db2.gz AULDSWBTRGOMNB-UTKZUKDTSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3cc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000379618872 1046709875 /nfs/dbraw/zinc/70/98/75/1046709875.db2.gz AULDSWBTRGOMNB-UTKZUKDTSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H](NCc1cnc2ccccc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000536859135 1046826864 /nfs/dbraw/zinc/82/68/64/1046826864.db2.gz RTUGVHXGOQDZBI-KRWDZBQOSA-N 1 3 349.478 4.026 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000536860577 1046828424 /nfs/dbraw/zinc/82/84/24/1046828424.db2.gz YXDMWRCWYDDBLW-QLFBSQMISA-N 1 3 342.886 4.019 20 0 EIADHO CC(C)[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000536961942 1046870150 /nfs/dbraw/zinc/87/01/50/1046870150.db2.gz VMVPKWCRSKGGDB-HNAYVOBHSA-N 1 3 345.487 4.085 20 0 EIADHO C[C@@H](NCc1coc2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000556216783 1047566963 /nfs/dbraw/zinc/56/69/63/1047566963.db2.gz JOFRDUAQGIUGSD-MRXNPFEDSA-N 1 3 338.451 4.224 20 0 EIADHO CCC[C@H](CC)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231275 1047596230 /nfs/dbraw/zinc/59/62/30/1047596230.db2.gz UNPJRFAEUQDCEA-SFTDATJTSA-N 1 3 344.543 4.084 20 0 EIADHO CCC[C@@H](CC)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231268 1047597119 /nfs/dbraw/zinc/59/71/19/1047597119.db2.gz UNPJRFAEUQDCEA-NHCUHLMSSA-N 1 3 344.543 4.084 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000550629444 1047782785 /nfs/dbraw/zinc/78/27/85/1047782785.db2.gz QVJGVMBURCECDX-FGTMMUONSA-N 1 3 330.516 4.104 20 0 EIADHO CC(C)(CCN)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246362439 1047976902 /nfs/dbraw/zinc/97/69/02/1047976902.db2.gz LJRCHDROIHUDTQ-UHFFFAOYSA-N 1 3 339.321 4.192 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857799 1048069196 /nfs/dbraw/zinc/06/91/96/1048069196.db2.gz HMYRKBIAFRQBKG-CXAGYDPISA-N 1 3 342.405 4.110 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857799 1048069212 /nfs/dbraw/zinc/06/92/12/1048069212.db2.gz HMYRKBIAFRQBKG-CXAGYDPISA-N 1 3 342.405 4.110 20 0 EIADHO Cc1nc(CN(C)C2CCC([NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000844221408 1048225086 /nfs/dbraw/zinc/22/50/86/1048225086.db2.gz YZNLMAMOIKBUGL-UHFFFAOYSA-N 1 3 333.863 4.005 20 0 EIADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3cccs3)C2)s1 ZINC000844325993 1048295337 /nfs/dbraw/zinc/29/53/37/1048295337.db2.gz FQWNLGRSSQBMTP-INIZCTEOSA-N 1 3 334.554 4.114 20 0 EIADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3cccs3)C2)s1 ZINC000844325993 1048295349 /nfs/dbraw/zinc/29/53/49/1048295349.db2.gz FQWNLGRSSQBMTP-INIZCTEOSA-N 1 3 334.554 4.114 20 0 EIADHO Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1F ZINC000499153142 1048360661 /nfs/dbraw/zinc/36/06/61/1048360661.db2.gz RATKQDBEPBMDCM-WKCHPHFGSA-N 1 3 338.470 4.419 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)c2cccnc12 ZINC000809737780 1048510870 /nfs/dbraw/zinc/51/08/70/1048510870.db2.gz KVIZHABDSCSTIO-UHFFFAOYSA-N 1 3 337.442 4.068 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000815575487 1048536679 /nfs/dbraw/zinc/53/66/79/1048536679.db2.gz SRZIXWDAOWFUDA-UYAOXDASSA-N 1 3 340.486 4.349 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000844924852 1048550231 /nfs/dbraw/zinc/55/02/31/1048550231.db2.gz RJZKQDZQHXUYPG-AWEZNQCLSA-N 1 3 332.875 4.227 20 0 EIADHO c1cc2cccc(C[NH+]3CCC4(CCN(Cc5ccoc5)C4)CC3)c2[nH]1 ZINC001144713096 1048815177 /nfs/dbraw/zinc/81/51/77/1048815177.db2.gz KVOIBCYMGMLZOK-UHFFFAOYSA-N 1 3 349.478 4.249 20 0 EIADHO c1cc2cccc(C[NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)c2[nH]1 ZINC001144718420 1048818270 /nfs/dbraw/zinc/81/82/70/1048818270.db2.gz MZNQXJIGFCJUDR-UHFFFAOYSA-N 1 3 345.490 4.266 20 0 EIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000817893266 1049054421 /nfs/dbraw/zinc/05/44/21/1049054421.db2.gz DENAWHDATNESNL-QMMLZNLJSA-N 1 3 330.516 4.055 20 0 EIADHO C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCC2 ZINC000817907248 1049056722 /nfs/dbraw/zinc/05/67/22/1049056722.db2.gz SVICRDOEFWQJBA-YROCYRMSSA-N 1 3 348.490 4.082 20 0 EIADHO Cc1ccccc1C[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccco1 ZINC000820814867 1049557708 /nfs/dbraw/zinc/55/77/08/1049557708.db2.gz NNQDDFNVPKBQET-HXUWFJFHSA-N 1 3 326.484 4.334 20 0 EIADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171445373 1049695729 /nfs/dbraw/zinc/69/57/29/1049695729.db2.gz JRUOPZCEFFNEAJ-HXUWFJFHSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171445373 1049695733 /nfs/dbraw/zinc/69/57/33/1049695733.db2.gz JRUOPZCEFFNEAJ-HXUWFJFHSA-N 1 3 344.518 4.412 20 0 EIADHO COc1ccccc1CC(C)(C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171631004 1049761483 /nfs/dbraw/zinc/76/14/83/1049761483.db2.gz SZRVZKZWDVJCHX-UHFFFAOYSA-N 1 3 332.532 4.257 20 0 EIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001171966606 1049826179 /nfs/dbraw/zinc/82/61/79/1049826179.db2.gz WNWPVDUTYYFGRT-KBRIMQKVSA-N 1 3 328.422 4.099 20 0 EIADHO Cc1ccccc1[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccncc1 ZINC001172099939 1049849897 /nfs/dbraw/zinc/84/98/97/1049849897.db2.gz NVKSIITYDMAWCP-IIZPIQPGSA-N 1 3 335.495 4.084 20 0 EIADHO Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC001172063061 1049850440 /nfs/dbraw/zinc/85/04/40/1049850440.db2.gz VXHVOYYYRINMCP-DKUWSORSSA-N 1 3 335.495 4.065 20 0 EIADHO Cc1cnccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172070015 1049852388 /nfs/dbraw/zinc/85/23/88/1049852388.db2.gz ZUMUFTZUQGHSCJ-KOUNCHBCSA-N 1 3 335.495 4.065 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(=O)c3ccccc3)cc1)C2 ZINC001172101920 1049855551 /nfs/dbraw/zinc/85/55/51/1049855551.db2.gz IFZYVMNGYGQUCZ-DKUWSORSSA-N 1 3 348.490 4.023 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC001172108181 1049857471 /nfs/dbraw/zinc/85/74/71/1049857471.db2.gz REOSQAJJWQODAB-OSMBCOQSSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC001172108181 1049857475 /nfs/dbraw/zinc/85/74/75/1049857475.db2.gz REOSQAJJWQODAB-OSMBCOQSSA-N 1 3 326.406 4.371 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001172118789 1049858777 /nfs/dbraw/zinc/85/87/77/1049858777.db2.gz SVLXVBSWYRCODC-XWSHUIEDSA-N 1 3 336.479 4.087 20 0 EIADHO Clc1cccc2c1CC[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171022667 1049866439 /nfs/dbraw/zinc/86/64/39/1049866439.db2.gz PGICYBJDCMMOGW-IBGZPJMESA-N 1 3 346.946 4.442 20 0 EIADHO CC(C)OCC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001172451447 1049914778 /nfs/dbraw/zinc/91/47/78/1049914778.db2.gz QASNAHSAYIBWTJ-MNAPGUCWSA-N 1 3 344.543 4.301 20 0 EIADHO CC(C)OCC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001172451447 1049914782 /nfs/dbraw/zinc/91/47/82/1049914782.db2.gz QASNAHSAYIBWTJ-MNAPGUCWSA-N 1 3 344.543 4.301 20 0 EIADHO CC(C)OCC[C@@H](C)N1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001172451447 1049914785 /nfs/dbraw/zinc/91/47/85/1049914785.db2.gz QASNAHSAYIBWTJ-MNAPGUCWSA-N 1 3 344.543 4.301 20 0 EIADHO CC(C)OCC[C@@H](C)N1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001172451447 1049914791 /nfs/dbraw/zinc/91/47/91/1049914791.db2.gz QASNAHSAYIBWTJ-MNAPGUCWSA-N 1 3 344.543 4.301 20 0 EIADHO C[NH+](C)CC[C@H](N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001172708949 1049970825 /nfs/dbraw/zinc/97/08/25/1049970825.db2.gz QFIOGWLBLUPARM-UXHICEINSA-N 1 3 328.887 4.090 20 0 EIADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000246431105 1049971996 /nfs/dbraw/zinc/97/19/96/1049971996.db2.gz NYCFYHUGMNNSSP-FPAYPSAMSA-N 1 3 328.500 4.141 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)C1 ZINC000246816872 1050001733 /nfs/dbraw/zinc/00/17/33/1050001733.db2.gz AXVUSPKFOGBSMF-ZIAGYGMSSA-N 1 3 328.472 4.036 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000246969546 1050007737 /nfs/dbraw/zinc/00/77/37/1050007737.db2.gz IZPAJPSNOYOGFZ-WMLDXEAASA-N 1 3 326.431 4.061 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2ccc(OC(F)F)cc2)C1 ZINC000246969546 1050007745 /nfs/dbraw/zinc/00/77/45/1050007745.db2.gz IZPAJPSNOYOGFZ-WMLDXEAASA-N 1 3 326.431 4.061 20 0 EIADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248374866 1050051944 /nfs/dbraw/zinc/05/19/44/1050051944.db2.gz UREQFCINUUQEPT-BHDDXSALSA-N 1 3 344.543 4.082 20 0 EIADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172858160 1050194163 /nfs/dbraw/zinc/19/41/63/1050194163.db2.gz CVKXIXODMJWRMM-AWEZNQCLSA-N 1 3 338.898 4.407 20 0 EIADHO CC[NH+](CC)C1CCC(N2C[C@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC001173114005 1050309988 /nfs/dbraw/zinc/30/99/88/1050309988.db2.gz ROLNCQAFYUCHJQ-VWEINGBSSA-N 1 3 330.516 4.101 20 0 EIADHO Cc1cc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cnc1Cl ZINC001177963304 1050333025 /nfs/dbraw/zinc/33/30/25/1050333025.db2.gz ZUWIWGJWDCZTJE-MRXNPFEDSA-N 1 3 331.891 4.044 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccccc1N(C)C ZINC000093941673 1050724570 /nfs/dbraw/zinc/72/45/70/1050724570.db2.gz XKMPQMRZSVAAOP-SFHVURJKSA-N 1 3 339.527 4.445 20 0 EIADHO CC(C)[C@@H](CN[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC001179636703 1050745255 /nfs/dbraw/zinc/74/52/55/1050745255.db2.gz KLKVFUZTLXWNQM-RTWAWAEBSA-N 1 3 325.500 4.104 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CCc3ccccc32)C1 ZINC001180030503 1050860202 /nfs/dbraw/zinc/86/02/02/1050860202.db2.gz NRWHHXKGZPBBNS-DYXWJJEUSA-N 1 3 326.528 4.303 20 0 EIADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CCc3ccccc32)C1 ZINC001180030503 1050860207 /nfs/dbraw/zinc/86/02/07/1050860207.db2.gz NRWHHXKGZPBBNS-DYXWJJEUSA-N 1 3 326.528 4.303 20 0 EIADHO C[C@@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276062 1051196138 /nfs/dbraw/zinc/19/61/38/1051196138.db2.gz IKTYXRWDARYOQY-YWZLYKJASA-N 1 3 336.470 4.455 20 0 EIADHO C[C@@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276062 1051196144 /nfs/dbraw/zinc/19/61/44/1051196144.db2.gz IKTYXRWDARYOQY-YWZLYKJASA-N 1 3 336.470 4.455 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1CN1CCCCC1 ZINC000775397086 1051211630 /nfs/dbraw/zinc/21/16/30/1051211630.db2.gz SZUZXDFVXOFMRC-QFBILLFUSA-N 1 3 348.556 4.227 20 0 EIADHO CC(C)CCN1CCC([NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1 ZINC001181738589 1051292041 /nfs/dbraw/zinc/29/20/41/1051292041.db2.gz BSCTWPIYMVXKRQ-UHFFFAOYSA-N 1 3 345.506 4.340 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(C3CC3)CC2)ccc1OC ZINC000775416797 1051292910 /nfs/dbraw/zinc/29/29/10/1051292910.db2.gz RLMPKXVCDOLEEZ-MRXNPFEDSA-N 1 3 330.516 4.378 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1CN1CCCCC1 ZINC000775425296 1051316871 /nfs/dbraw/zinc/31/68/71/1051316871.db2.gz XOENLWBRRLWMMG-IRXDYDNUSA-N 1 3 341.499 4.421 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774389747 1051587434 /nfs/dbraw/zinc/58/74/34/1051587434.db2.gz DYHOJMJCEGFJKI-LLVKDONJSA-N 1 3 342.314 4.101 20 0 EIADHO CCc1noc(C)c1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158978973 1051803537 /nfs/dbraw/zinc/80/35/37/1051803537.db2.gz JONILGCIXCHSLZ-INIZCTEOSA-N 1 3 333.520 4.022 20 0 EIADHO CCc1noc(C)c1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158978973 1051803541 /nfs/dbraw/zinc/80/35/41/1051803541.db2.gz JONILGCIXCHSLZ-INIZCTEOSA-N 1 3 333.520 4.022 20 0 EIADHO C[C@@H]1C[C@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@@H+]1C ZINC000621765811 1051941507 /nfs/dbraw/zinc/94/15/07/1051941507.db2.gz FNJAWHFVKXRYNS-CZUORRHYSA-N 1 3 326.406 4.157 20 0 EIADHO C[C@@H]1C[C@H](NC2(c3ccc(C(F)(F)F)cc3)CCC2)CC[N@H+]1C ZINC000621765811 1051941516 /nfs/dbraw/zinc/94/15/16/1051941516.db2.gz FNJAWHFVKXRYNS-CZUORRHYSA-N 1 3 326.406 4.157 20 0 EIADHO CC[NH+]1CCC(N[C@H](C)c2ccc(SCC(F)F)cc2)CC1 ZINC000159262666 1051964000 /nfs/dbraw/zinc/96/40/00/1051964000.db2.gz OARDIGLFTLMDOA-CYBMUJFWSA-N 1 3 328.472 4.179 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000163543167 1051996130 /nfs/dbraw/zinc/99/61/30/1051996130.db2.gz VXHNWWHIZSFGRX-INIZCTEOSA-N 1 3 340.467 4.108 20 0 EIADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000165190105 1052053650 /nfs/dbraw/zinc/05/36/50/1052053650.db2.gz RKHRSIUAYGPWLC-LJQANCHMSA-N 1 3 344.524 4.246 20 0 EIADHO C[C@H](CN[C@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+]1CCCC1 ZINC000165305117 1052057427 /nfs/dbraw/zinc/05/74/27/1052057427.db2.gz NABFLIATXLWRBM-BZUAXINKSA-N 1 3 331.529 4.110 20 0 EIADHO C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)CN1CCCC1 ZINC000165305117 1052057446 /nfs/dbraw/zinc/05/74/46/1052057446.db2.gz NABFLIATXLWRBM-BZUAXINKSA-N 1 3 331.529 4.110 20 0 EIADHO CC(C)Oc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171129374 1052395882 /nfs/dbraw/zinc/39/58/82/1052395882.db2.gz ZSOIHAHBPAQEGW-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO C[N@@H+]1CC[C@@H](NCCc2nc(C3CCCCC3)cs2)CC1(C)C ZINC000623425448 1052653334 /nfs/dbraw/zinc/65/33/34/1052653334.db2.gz BDIXYSHAUXEWJF-MRXNPFEDSA-N 1 3 335.561 4.196 20 0 EIADHO C[N@H+]1CC[C@@H](NCCc2nc(C3CCCCC3)cs2)CC1(C)C ZINC000623425448 1052653341 /nfs/dbraw/zinc/65/33/41/1052653341.db2.gz BDIXYSHAUXEWJF-MRXNPFEDSA-N 1 3 335.561 4.196 20 0 EIADHO CC(C)N1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000180405437 1052798549 /nfs/dbraw/zinc/79/85/49/1052798549.db2.gz FZJASSABOQLZMV-ZDUSSCGKSA-N 1 3 330.394 4.109 20 0 EIADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180463487 1052800986 /nfs/dbraw/zinc/80/09/86/1052800986.db2.gz UREQFCINUUQEPT-BHIFYINESA-N 1 3 344.543 4.082 20 0 EIADHO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)c(C)c2c1 ZINC000624121117 1052867438 /nfs/dbraw/zinc/86/74/38/1052867438.db2.gz ONPHRCZXDGMQSN-CVEARBPZSA-N 1 3 330.472 4.132 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)ccc1OC ZINC000850570788 1053324597 /nfs/dbraw/zinc/32/45/97/1053324597.db2.gz IWTBLYHAACMWCY-VQIMIIECSA-N 1 3 348.531 4.003 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2cnc3c(F)cccc3c2)c1 ZINC000865451539 1053511624 /nfs/dbraw/zinc/51/16/24/1053511624.db2.gz RIQFXWDAZVHAHZ-UHFFFAOYSA-N 1 3 337.442 4.115 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2cnc3c(F)cccc3c2)c1 ZINC000865451539 1053511637 /nfs/dbraw/zinc/51/16/37/1053511637.db2.gz RIQFXWDAZVHAHZ-UHFFFAOYSA-N 1 3 337.442 4.115 20 0 EIADHO C[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000853248801 1053659817 /nfs/dbraw/zinc/65/98/17/1053659817.db2.gz JYYNSFQWTKNIIT-NDXORKPFSA-N 1 3 336.479 4.156 20 0 EIADHO COc1cccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000386321891 1053679112 /nfs/dbraw/zinc/67/91/12/1053679112.db2.gz IPTNWEZEEYDFEY-OAQYLSRUSA-N 1 3 338.495 4.087 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2ccco2)ccc1OC ZINC000121026454 1053697193 /nfs/dbraw/zinc/69/71/93/1053697193.db2.gz RQCLZPRCUPTINE-MRXNPFEDSA-N 1 3 330.472 4.023 20 0 EIADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000386432696 1053722786 /nfs/dbraw/zinc/72/27/86/1053722786.db2.gz OOEJLXSFWDMRGI-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000765704672 1053850958 /nfs/dbraw/zinc/85/09/58/1053850958.db2.gz ZEQKDTGUVDKPLU-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000765704672 1053850963 /nfs/dbraw/zinc/85/09/63/1053850963.db2.gz ZEQKDTGUVDKPLU-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000765704672 1053850966 /nfs/dbraw/zinc/85/09/66/1053850966.db2.gz ZEQKDTGUVDKPLU-NZQKXSOJSA-N 1 3 334.507 4.137 20 0 EIADHO CN(Cc1sccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000338563850 1054032019 /nfs/dbraw/zinc/03/20/19/1054032019.db2.gz NXVRWEFAIHXHBJ-UHFFFAOYSA-N 1 3 335.904 4.145 20 0 EIADHO CC(C)CN1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC001199143158 1054350115 /nfs/dbraw/zinc/35/01/15/1054350115.db2.gz DFDPKBYSMLXTLQ-UHFFFAOYSA-N 1 3 337.920 4.160 20 0 EIADHO CCSc1ccc([C@@H](C)NCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873213026 1054510865 /nfs/dbraw/zinc/51/08/65/1054510865.db2.gz UPSDARIPYICXOX-CYBMUJFWSA-N 1 3 332.538 4.357 20 0 EIADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(SC(F)F)cc1 ZINC000873236770 1054512244 /nfs/dbraw/zinc/51/22/44/1054512244.db2.gz DIQKNCWDXITDBS-CYBMUJFWSA-N 1 3 348.462 4.498 20 0 EIADHO c1ccc2c(c1)CCC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001200863752 1054558696 /nfs/dbraw/zinc/55/86/96/1054558696.db2.gz IUWMKZYQQSSQOL-NRFANRHFSA-N 1 3 326.528 4.321 20 0 EIADHO c1ccc(CCC[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001201674364 1054873496 /nfs/dbraw/zinc/87/34/96/1054873496.db2.gz YEZGDVSXZMGKNP-UHFFFAOYSA-N 1 3 334.507 4.217 20 0 EIADHO C[C@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccnc1 ZINC000112528578 1055236341 /nfs/dbraw/zinc/23/63/41/1055236341.db2.gz XLAUUHRRRAYEAO-OTWHNJEPSA-N 1 3 337.511 4.410 20 0 EIADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccnc1 ZINC000112528578 1055236351 /nfs/dbraw/zinc/23/63/51/1055236351.db2.gz XLAUUHRRRAYEAO-OTWHNJEPSA-N 1 3 337.511 4.410 20 0 EIADHO C[C@H](Cc1ccccn1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000655834872 1055704660 /nfs/dbraw/zinc/70/46/60/1055704660.db2.gz SDAZVOQWCISRHT-QGZVFWFLSA-N 1 3 331.548 4.281 20 0 EIADHO COc1ccc(-c2ccc(C[NH2+]C3CCN(C(C)C)CC3)cc2)cc1 ZINC000542906146 1056730712 /nfs/dbraw/zinc/73/07/12/1056730712.db2.gz RMLZISGJUCILJQ-UHFFFAOYSA-N 1 3 338.495 4.325 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101516 1060636550 /nfs/dbraw/zinc/63/65/50/1060636550.db2.gz TZEYQEIFWNTAQB-DFGXFYAUSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCc3cc(Br)ccc31)C2 ZINC001169101516 1060636558 /nfs/dbraw/zinc/63/65/58/1060636558.db2.gz TZEYQEIFWNTAQB-DFGXFYAUSA-N 1 3 349.316 4.041 20 0 EIADHO CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC001169110503 1060657530 /nfs/dbraw/zinc/65/75/30/1060657530.db2.gz LVSRREZYZJLHHH-YVSFHVDLSA-N 1 3 337.305 4.115 20 0 EIADHO CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001169110503 1060657536 /nfs/dbraw/zinc/65/75/36/1060657536.db2.gz LVSRREZYZJLHHH-YVSFHVDLSA-N 1 3 337.305 4.115 20 0 EIADHO CN1CCCC[C@@H]1c1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)nc1 ZINC001169141794 1060663758 /nfs/dbraw/zinc/66/37/58/1060663758.db2.gz KWSLKQMCLDDPLD-DBXWQHBBSA-N 1 3 344.547 4.194 20 0 EIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000036991668 522811916 /nfs/dbraw/zinc/81/19/16/522811916.db2.gz LVSRREZYZJLHHH-NPYXIHBLSA-N 1 3 337.305 4.115 20 0 EIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000036991668 522811927 /nfs/dbraw/zinc/81/19/27/522811927.db2.gz LVSRREZYZJLHHH-NPYXIHBLSA-N 1 3 337.305 4.115 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)s2)cc1 ZINC000532249379 1032110202 /nfs/dbraw/zinc/11/02/02/1032110202.db2.gz WYXNNSZKMKCTEY-QMTMVMCOSA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)s2)cc1 ZINC000532249379 1032110210 /nfs/dbraw/zinc/11/02/10/1032110210.db2.gz WYXNNSZKMKCTEY-QMTMVMCOSA-N 1 3 344.524 4.242 20 0 EIADHO Cc1ccnc(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503722 1032415392 /nfs/dbraw/zinc/41/53/92/1032415392.db2.gz XKQUPZFVWOQRHZ-RDTXWAMCSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccnc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503722 1032415400 /nfs/dbraw/zinc/41/54/00/1032415400.db2.gz XKQUPZFVWOQRHZ-RDTXWAMCSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccnc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503722 1032415401 /nfs/dbraw/zinc/41/54/01/1032415401.db2.gz XKQUPZFVWOQRHZ-RDTXWAMCSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccc2c(C3=CC[N@H+](CC[C@@H]4CCCCN4C)CC3)c[nH]c2c1 ZINC000533029096 1032445384 /nfs/dbraw/zinc/44/53/84/1032445384.db2.gz NDUMJVOUZQIQAE-IBGZPJMESA-N 1 3 337.511 4.440 20 0 EIADHO Cc1ccc2c(C3=CC[N@@H+](CC[C@@H]4CCCCN4C)CC3)c[nH]c2c1 ZINC000533029096 1032445388 /nfs/dbraw/zinc/44/53/88/1032445388.db2.gz NDUMJVOUZQIQAE-IBGZPJMESA-N 1 3 337.511 4.440 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156861 1032464361 /nfs/dbraw/zinc/46/43/61/1032464361.db2.gz AJQRKSVLTSBYLV-LBPRGKRZSA-N 1 3 330.303 4.102 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000760161688 1032484606 /nfs/dbraw/zinc/48/46/06/1032484606.db2.gz ZDVFOMBJNWWUQH-CHWSQXEVSA-N 1 3 344.330 4.347 20 0 EIADHO c1ccc(CC[NH+]2CCC(NCc3cccc4cccnc43)CC2)cc1 ZINC000236736782 1020649956 /nfs/dbraw/zinc/64/99/56/1020649956.db2.gz OFVLHDDMJSAKGI-UHFFFAOYSA-N 1 3 345.490 4.032 20 0 EIADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000161645674 1021614766 /nfs/dbraw/zinc/61/47/66/1021614766.db2.gz OSSNUBVSBSKOHX-KRWDZBQOSA-N 1 3 347.572 4.077 20 0 EIADHO C(CN1CCCCC1)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000161645674 1021614774 /nfs/dbraw/zinc/61/47/74/1021614774.db2.gz OSSNUBVSBSKOHX-KRWDZBQOSA-N 1 3 347.572 4.077 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC000422841876 1021649333 /nfs/dbraw/zinc/64/93/33/1021649333.db2.gz XAHGTZMFMGYEHR-IFXJQAMLSA-N 1 3 329.463 4.426 20 0 EIADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000647552029 1022813075 /nfs/dbraw/zinc/81/30/75/1022813075.db2.gz ASLWTFYXRAWUGU-ZIAGYGMSSA-N 1 3 348.922 4.174 20 0 EIADHO CCC[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccnc1 ZINC000363863287 1022866488 /nfs/dbraw/zinc/86/64/88/1022866488.db2.gz KJAFPAAPZLAYFW-AOIWGVFYSA-N 1 3 329.513 4.267 20 0 EIADHO CCC[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cccnc1 ZINC000363863287 1022866489 /nfs/dbraw/zinc/86/64/89/1022866489.db2.gz KJAFPAAPZLAYFW-AOIWGVFYSA-N 1 3 329.513 4.267 20 0 EIADHO C[C@@H](CCC[NH3+])NCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000415015656 1023391095 /nfs/dbraw/zinc/39/10/95/1023391095.db2.gz BBJQWCLMUXEXCO-JTQLQIEISA-N 1 3 344.311 4.334 20 0 EIADHO [NH3+]CCC[C@H](NCc1ccc(Br)s1)c1ccccc1 ZINC000415050602 1023409666 /nfs/dbraw/zinc/40/96/66/1023409666.db2.gz IUUHDOMTSQUJCN-AWEZNQCLSA-N 1 3 339.302 4.080 20 0 EIADHO Clc1cccc2c1CC[C@@H]2N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083344 1023432483 /nfs/dbraw/zinc/43/24/83/1023432483.db2.gz NCWXBOMBWCRSTK-RYGJVYDSSA-N 1 3 326.871 4.410 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000656683546 1023439488 /nfs/dbraw/zinc/43/94/88/1023439488.db2.gz NDAYWABDTBGLJF-MRXNPFEDSA-N 1 3 343.902 4.298 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000394556586 1023606881 /nfs/dbraw/zinc/60/68/81/1023606881.db2.gz IXSPKLHYOKXVBD-QXAKKESOSA-N 1 3 336.470 4.312 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001167753035 1023629288 /nfs/dbraw/zinc/62/92/88/1023629288.db2.gz AWGDZHPKNVOKFZ-KRWDZBQOSA-N 1 3 333.495 4.098 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001167753035 1023629294 /nfs/dbraw/zinc/62/92/94/1023629294.db2.gz AWGDZHPKNVOKFZ-KRWDZBQOSA-N 1 3 333.495 4.098 20 0 EIADHO CCCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1OCC ZINC000511526671 1023635652 /nfs/dbraw/zinc/63/56/52/1023635652.db2.gz QMACLCRFPUCJPB-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC2 ZINC000398017872 1023643378 /nfs/dbraw/zinc/64/33/78/1023643378.db2.gz IIXQUYISKOXQAP-JPYJTQIMSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)CCC2 ZINC000398017872 1023643383 /nfs/dbraw/zinc/64/33/83/1023643383.db2.gz IIXQUYISKOXQAP-JPYJTQIMSA-N 1 3 334.507 4.176 20 0 EIADHO COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390546860 1023664939 /nfs/dbraw/zinc/66/49/39/1023664939.db2.gz IUKDYHSZWUJEPA-OAQYLSRUSA-N 1 3 338.495 4.086 20 0 EIADHO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390546860 1023664946 /nfs/dbraw/zinc/66/49/46/1023664946.db2.gz IUKDYHSZWUJEPA-OAQYLSRUSA-N 1 3 338.495 4.086 20 0 EIADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000430750923 1024007319 /nfs/dbraw/zinc/00/73/19/1024007319.db2.gz QOJRTGZZCGJBAI-LWYYNNOASA-N 1 3 348.481 4.312 20 0 EIADHO c1c2ccccc2[nH]c1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000090577239 1025484497 /nfs/dbraw/zinc/48/44/97/1025484497.db2.gz ODTXDMWXSANBQE-UHFFFAOYSA-N 1 3 325.500 4.097 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000925781073 1025530956 /nfs/dbraw/zinc/53/09/56/1025530956.db2.gz WLUMVVCSIFQRPF-BXUZGUMPSA-N 1 3 337.241 4.279 20 0 EIADHO C[NH+](C)CCOc1cccc(CNCc2ccc(C3CCC3)cc2)c1 ZINC000550098155 1026094686 /nfs/dbraw/zinc/09/46/86/1026094686.db2.gz YGBPDBOCHWCNOV-UHFFFAOYSA-N 1 3 338.495 4.184 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000344181386 1026099609 /nfs/dbraw/zinc/09/96/09/1026099609.db2.gz ZJFRTRFIFWEDLM-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000344181386 1026099625 /nfs/dbraw/zinc/09/96/25/1026099625.db2.gz ZJFRTRFIFWEDLM-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(C)c1O ZINC000582089683 1026116448 /nfs/dbraw/zinc/11/64/48/1026116448.db2.gz QUHZQEVTWLRUNR-MJGOQNOKSA-N 1 3 344.524 4.243 20 0 EIADHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(C)c1O ZINC000582089683 1026116467 /nfs/dbraw/zinc/11/64/67/1026116467.db2.gz QUHZQEVTWLRUNR-MJGOQNOKSA-N 1 3 344.524 4.243 20 0 EIADHO C[N@H+]1CC=C(CN[C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000344307601 1026230808 /nfs/dbraw/zinc/23/08/08/1026230808.db2.gz XEZLEJIGMYBFIN-HNNXBMFYSA-N 1 3 341.282 4.059 20 0 EIADHO C[N@@H+]1CC=C(CN[C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000344307601 1026230822 /nfs/dbraw/zinc/23/08/22/1026230822.db2.gz XEZLEJIGMYBFIN-HNNXBMFYSA-N 1 3 341.282 4.059 20 0 EIADHO CCOc1ccc(CN2CCC(C[NH+](CC)CC)CC2)cc1OCC ZINC000506906937 1026505501 /nfs/dbraw/zinc/50/55/01/1026505501.db2.gz DWQVEPAITMKWFE-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO CN1CCC[C@H]1CC[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511128567 1026658477 /nfs/dbraw/zinc/65/84/77/1026658477.db2.gz XLDQWOPHMLTJSY-INIZCTEOSA-N 1 3 343.540 4.134 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1ccccn1 ZINC000159053416 1026744668 /nfs/dbraw/zinc/74/46/68/1026744668.db2.gz VVRJBFBJFZSCPO-INIZCTEOSA-N 1 3 343.902 4.298 20 0 EIADHO CCCN1CCC([N@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001167585685 1026825086 /nfs/dbraw/zinc/82/50/86/1026825086.db2.gz ADWMZACGGXLGOS-UHFFFAOYSA-N 1 3 345.314 4.178 20 0 EIADHO CCCN1CCC([N@@H+](C)CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001167585685 1026825089 /nfs/dbraw/zinc/82/50/89/1026825089.db2.gz ADWMZACGGXLGOS-UHFFFAOYSA-N 1 3 345.314 4.178 20 0 EIADHO Cc1cccc(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235519 1027274994 /nfs/dbraw/zinc/27/49/94/1027274994.db2.gz IGWLDHHJQLDERW-KDOFPFPSSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1cccc(NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235519 1027275027 /nfs/dbraw/zinc/27/50/27/1027275027.db2.gz IGWLDHHJQLDERW-KDOFPFPSSA-N 1 3 333.838 4.287 20 0 EIADHO CC(C)Sc1cccc(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000474713251 1027433823 /nfs/dbraw/zinc/43/38/23/1027433823.db2.gz LMJCOQSANREEKL-UHFFFAOYSA-N 1 3 326.937 4.272 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441400065 1027524293 /nfs/dbraw/zinc/52/42/93/1027524293.db2.gz ZAPWJDIBLAJDMK-UGKGYDQZSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441400065 1027524309 /nfs/dbraw/zinc/52/43/09/1027524309.db2.gz ZAPWJDIBLAJDMK-UGKGYDQZSA-N 1 3 342.527 4.021 20 0 EIADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000123639737 1028084067 /nfs/dbraw/zinc/08/40/67/1028084067.db2.gz NADZHLOMDWOUSV-IBGZPJMESA-N 1 3 342.483 4.006 20 0 EIADHO COc1cc([C@H](C)NCc2cccc(C[NH+](C)C)c2)ccc1SC ZINC000123685969 1028092893 /nfs/dbraw/zinc/09/28/93/1028092893.db2.gz DWWOCEOSFWKKRN-HNNXBMFYSA-N 1 3 344.524 4.330 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000162910768 1028536949 /nfs/dbraw/zinc/53/69/49/1028536949.db2.gz MELZEXGJCUGBCM-QFIPXVFZSA-N 1 3 336.479 4.068 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281380521 1028552943 /nfs/dbraw/zinc/55/29/43/1028552943.db2.gz XERIULIHOLIKLO-OAQYLSRUSA-N 1 3 341.474 4.303 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000524156082 1028720641 /nfs/dbraw/zinc/72/06/41/1028720641.db2.gz HURAOPRYPBCFON-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000524156082 1028720659 /nfs/dbraw/zinc/72/06/59/1028720659.db2.gz HURAOPRYPBCFON-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC(=O)c1c(C)cc(C)c(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000524156136 1028723592 /nfs/dbraw/zinc/72/35/92/1028723592.db2.gz MMOOAIKVDZFNPL-UHFFFAOYSA-N 1 3 344.543 4.367 20 0 EIADHO CC(=O)c1c(C)cc(C)c(CN2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000524156136 1028723612 /nfs/dbraw/zinc/72/36/12/1028723612.db2.gz MMOOAIKVDZFNPL-UHFFFAOYSA-N 1 3 344.543 4.367 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCSc2cc(C)c(C)cc21 ZINC000650756644 1029196257 /nfs/dbraw/zinc/19/62/57/1029196257.db2.gz GUXRSFFSIRUMIJ-IBGZPJMESA-N 1 3 326.509 4.350 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)CC(F)F ZINC000647319348 1029520354 /nfs/dbraw/zinc/52/03/54/1029520354.db2.gz WVDMGSMTBDSFAC-JCHJZTRSSA-N 1 3 336.470 4.168 20 0 EIADHO CCOc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000090578207 1029867644 /nfs/dbraw/zinc/86/76/44/1029867644.db2.gz KUPISYMTZIYUOI-UHFFFAOYSA-N 1 3 330.516 4.015 20 0 EIADHO CCOc1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000090578207 1029867645 /nfs/dbraw/zinc/86/76/45/1029867645.db2.gz KUPISYMTZIYUOI-UHFFFAOYSA-N 1 3 330.516 4.015 20 0 EIADHO FC(F)(F)c1cccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000091284507 1029882766 /nfs/dbraw/zinc/88/27/66/1029882766.db2.gz UDAASVJVOSSRAX-FZKQIMNGSA-N 1 3 338.417 4.230 20 0 EIADHO FC(F)(F)c1cccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000091284507 1029882771 /nfs/dbraw/zinc/88/27/71/1029882771.db2.gz UDAASVJVOSSRAX-FZKQIMNGSA-N 1 3 338.417 4.230 20 0 EIADHO C[C@@H](CC[NH2+][C@@H](C)c1cc2cnccc2o1)N(C)Cc1ccccc1 ZINC000657898544 1030405145 /nfs/dbraw/zinc/40/51/45/1030405145.db2.gz DBMULIXHZUMEJH-IRXDYDNUSA-N 1 3 337.467 4.389 20 0 EIADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000685665256 1030665278 /nfs/dbraw/zinc/66/52/78/1030665278.db2.gz ZWTBYODIVNWVFH-UGKGYDQZSA-N 1 3 344.543 4.084 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179856 1030730830 /nfs/dbraw/zinc/73/08/30/1030730830.db2.gz WUURNDQBGOEJMI-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000398179856 1030730851 /nfs/dbraw/zinc/73/08/51/1030730851.db2.gz WUURNDQBGOEJMI-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657999288 1030770670 /nfs/dbraw/zinc/77/06/70/1030770670.db2.gz TXCYQKJMBFALSV-DOTOQJQBSA-N 1 3 345.437 4.192 20 0 EIADHO CCOC1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000658018536 1030780893 /nfs/dbraw/zinc/78/08/93/1030780893.db2.gz ITZABOUJHDBJML-HWELCPFYSA-N 1 3 344.543 4.226 20 0 EIADHO CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(F)cc1 ZINC000122383985 1030811339 /nfs/dbraw/zinc/81/13/39/1030811339.db2.gz ZHZORKFKELUTLS-LJQANCHMSA-N 1 3 330.447 4.007 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccs1 ZINC000658164384 1030861118 /nfs/dbraw/zinc/86/11/18/1030861118.db2.gz CTXAMLYQIWBWJF-GOSISDBHSA-N 1 3 329.513 4.096 20 0 EIADHO c1cc2c(s1)CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165367 1030862321 /nfs/dbraw/zinc/86/23/21/1030862321.db2.gz IUTGHUKTDAYJPJ-LJQANCHMSA-N 1 3 341.524 4.022 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000658168753 1030864991 /nfs/dbraw/zinc/86/49/91/1030864991.db2.gz YKDALUAJNGAPQJ-NRFANRHFSA-N 1 3 341.474 4.174 20 0 EIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527849501 1030891379 /nfs/dbraw/zinc/89/13/79/1030891379.db2.gz QIYASCYZGUIJSS-IBGZPJMESA-N 1 3 332.850 4.318 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2Oc2cccnc2)C[C@H]1C ZINC000531140007 1030909444 /nfs/dbraw/zinc/90/94/44/1030909444.db2.gz SFKMHDRSDYQSHV-IEBWSBKVSA-N 1 3 339.483 4.179 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2Oc2cccnc2)C[C@H]1C ZINC000531140007 1030909475 /nfs/dbraw/zinc/90/94/75/1030909475.db2.gz SFKMHDRSDYQSHV-IEBWSBKVSA-N 1 3 339.483 4.179 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cccnc2C)ccc1OC ZINC000527989399 1031017436 /nfs/dbraw/zinc/01/74/36/1031017436.db2.gz YZUUEHZFHIOCEA-MRXNPFEDSA-N 1 3 341.499 4.091 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000532453931 1031090877 /nfs/dbraw/zinc/09/08/77/1031090877.db2.gz XWHAWQGAGSAYOU-CQSZACIVSA-N 1 3 347.503 4.394 20 0 EIADHO Cc1noc(C)c1CN1CCCC12CC[NH+](C1CCC(C)CC1)CC2 ZINC001168211703 1031275838 /nfs/dbraw/zinc/27/58/38/1031275838.db2.gz HQUAVCCMXZEFBR-UHFFFAOYSA-N 1 3 345.531 4.301 20 0 EIADHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1OC ZINC000123986657 1031496561 /nfs/dbraw/zinc/49/65/61/1031496561.db2.gz KFXJFLMNMKGIPM-FQEVSTJZSA-N 1 3 326.484 4.388 20 0 EIADHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1OC ZINC000123986657 1031496577 /nfs/dbraw/zinc/49/65/77/1031496577.db2.gz KFXJFLMNMKGIPM-FQEVSTJZSA-N 1 3 326.484 4.388 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1cc(F)cc(F)c1 ZINC000449232836 1031563641 /nfs/dbraw/zinc/56/36/41/1031563641.db2.gz JGOXTYFLVQFORB-OWCLPIDISA-N 1 3 336.470 4.311 20 0 EIADHO CC[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000453153553 1031629786 /nfs/dbraw/zinc/62/97/86/1031629786.db2.gz VKGGJTCVKCEZRL-OPYAIIAOSA-N 1 3 337.511 4.279 20 0 EIADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501056785 1035362628 /nfs/dbraw/zinc/36/26/28/1035362628.db2.gz UNQNALNTWUPTIO-QFIPXVFZSA-N 1 3 345.575 4.088 20 0 EIADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](CC)c1ccccc1 ZINC000501103160 1035378605 /nfs/dbraw/zinc/37/86/05/1035378605.db2.gz FXSMZVADRBDRNR-JOCHJYFZSA-N 1 3 345.575 4.266 20 0 EIADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](CC)c1ccccc1 ZINC000501103160 1035378608 /nfs/dbraw/zinc/37/86/08/1035378608.db2.gz FXSMZVADRBDRNR-JOCHJYFZSA-N 1 3 345.575 4.266 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000501466378 1035449282 /nfs/dbraw/zinc/44/92/82/1035449282.db2.gz JNXGAHNQKXKFCR-RNTKJRCOSA-N 1 3 326.406 4.181 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000501466378 1035449286 /nfs/dbraw/zinc/44/92/86/1035449286.db2.gz JNXGAHNQKXKFCR-RNTKJRCOSA-N 1 3 326.406 4.181 20 0 EIADHO Cc1nc([C@@H](C)N2CCC[C@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420319113 1035513136 /nfs/dbraw/zinc/51/31/36/1035513136.db2.gz XDBOUXCEDPHRDM-HUUCEWRRSA-N 1 3 347.890 4.425 20 0 EIADHO Brc1ccc([C@@H]2CCCN2CC[C@H]2CCC[NH2+]C2)s1 ZINC000420372162 1035556625 /nfs/dbraw/zinc/55/66/25/1035556625.db2.gz LGSBFONKUOMVFO-OLZOCXBDSA-N 1 3 343.334 4.037 20 0 EIADHO Brc1ccc([C@@H]2CCCN2CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420372164 1035557647 /nfs/dbraw/zinc/55/76/47/1035557647.db2.gz LGSBFONKUOMVFO-STQMWFEESA-N 1 3 343.334 4.037 20 0 EIADHO C[C@H](NC/C=C/c1ccc(F)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486473101 1036718205 /nfs/dbraw/zinc/71/82/05/1036718205.db2.gz DPKARZYRVMHYLF-QSSYGXSSSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H](NC/C=C/c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486473101 1036718230 /nfs/dbraw/zinc/71/82/30/1036718230.db2.gz DPKARZYRVMHYLF-QSSYGXSSSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486473101 1036718252 /nfs/dbraw/zinc/71/82/52/1036718252.db2.gz DPKARZYRVMHYLF-QSSYGXSSSA-N 1 3 338.470 4.339 20 0 EIADHO CSC1(CN[C@@H](C)c2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000589349422 1036760373 /nfs/dbraw/zinc/76/03/73/1036760373.db2.gz REJIRRMSFFTAGY-LBPRGKRZSA-N 1 3 347.355 4.471 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cc2ccc(F)cc2[nH]1 ZINC000486727354 1036831502 /nfs/dbraw/zinc/83/15/02/1036831502.db2.gz DZJVIHDJIAEUSZ-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cc2ccc(F)cc2[nH]1 ZINC000486727354 1036831505 /nfs/dbraw/zinc/83/15/05/1036831505.db2.gz DZJVIHDJIAEUSZ-UHFFFAOYSA-N 1 3 339.458 4.437 20 0 EIADHO CC1CC[NH+](Cc2ccccc2CNC/C=C/c2ccncc2)CC1 ZINC000486990980 1036937832 /nfs/dbraw/zinc/93/78/32/1036937832.db2.gz SAVBGXHYBZRHIL-SNAWJCMRSA-N 1 3 335.495 4.117 20 0 EIADHO CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272298758 1037152854 /nfs/dbraw/zinc/15/28/54/1037152854.db2.gz GNLATBODLQRPQL-WSTZPKSXSA-N 1 3 340.515 4.025 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000590786708 1037165427 /nfs/dbraw/zinc/16/54/27/1037165427.db2.gz NEZUFDIQTHRPBP-UHFFFAOYSA-N 1 3 328.422 4.258 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000590786708 1037165436 /nfs/dbraw/zinc/16/54/36/1037165436.db2.gz NEZUFDIQTHRPBP-UHFFFAOYSA-N 1 3 328.422 4.258 20 0 EIADHO Clc1ccc(C2=CC[N@@H+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168374354 1037409211 /nfs/dbraw/zinc/40/92/11/1037409211.db2.gz ZREUTUYMIHZJHP-UHFFFAOYSA-N 1 3 330.903 4.304 20 0 EIADHO Clc1ccc(C2=CC[N@H+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168374354 1037409261 /nfs/dbraw/zinc/40/92/61/1037409261.db2.gz ZREUTUYMIHZJHP-UHFFFAOYSA-N 1 3 330.903 4.304 20 0 EIADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000760832429 1037450956 /nfs/dbraw/zinc/45/09/56/1037450956.db2.gz XZQQKTIIUYYYMU-QGZVFWFLSA-N 1 3 349.588 4.494 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000488356922 1037539498 /nfs/dbraw/zinc/53/94/98/1037539498.db2.gz DKTGUMMPLRUVRH-UHFFFAOYSA-N 1 3 343.540 4.364 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000422719632 1037815762 /nfs/dbraw/zinc/81/57/62/1037815762.db2.gz YZRMFOZUGQSKEB-LRXVAGHRSA-N 1 3 337.511 4.301 20 0 EIADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000422746700 1037824267 /nfs/dbraw/zinc/82/42/67/1037824267.db2.gz WYOQVTUGDJZLBG-YZGWKJHDSA-N 1 3 325.500 4.103 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000422769112 1037828976 /nfs/dbraw/zinc/82/89/76/1037828976.db2.gz STIMPJWXUJYTFZ-YJYMSZOUSA-N 1 3 329.875 4.304 20 0 EIADHO COc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)c(C)c1 ZINC000422797011 1037835166 /nfs/dbraw/zinc/83/51/66/1037835166.db2.gz KWNOHSFJYVDNBS-YWZLYKJASA-N 1 3 346.902 4.463 20 0 EIADHO Cc1ccc([C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422813365 1037840490 /nfs/dbraw/zinc/84/04/90/1037840490.db2.gz RQWYTOFKZCESFC-PMVMPFDFSA-N 1 3 348.490 4.292 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000422873021 1037857906 /nfs/dbraw/zinc/85/79/06/1037857906.db2.gz JMTQVYCOZYWRMK-CQSZACIVSA-N 1 3 345.918 4.422 20 0 EIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422937839 1037875810 /nfs/dbraw/zinc/87/58/10/1037875810.db2.gz CUYJBJOIXGCIRF-HOJAQTOUSA-N 1 3 326.871 4.410 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(OC2CCCC2)cc1 ZINC000422948016 1037886007 /nfs/dbraw/zinc/88/60/07/1037886007.db2.gz RLMMWSBPDJUXMM-OAHLLOKOSA-N 1 3 339.483 4.021 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423025270 1037909984 /nfs/dbraw/zinc/90/99/84/1037909984.db2.gz NVQNHXBYXLOIMQ-LBPRGKRZSA-N 1 3 347.865 4.024 20 0 EIADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423070847 1037932108 /nfs/dbraw/zinc/93/21/08/1037932108.db2.gz NWXWKXWVLOPYNB-WDEREUQCSA-N 1 3 334.813 4.106 20 0 EIADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423096958 1037953414 /nfs/dbraw/zinc/95/34/14/1037953414.db2.gz QDTZSZYOXGDCBO-NXNVCVFFSA-N 1 3 326.406 4.059 20 0 EIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000574226556 1037955079 /nfs/dbraw/zinc/95/50/79/1037955079.db2.gz LXEUECOKWKUMSH-CEXWTWQISA-N 1 3 348.531 4.014 20 0 EIADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000423131805 1037962774 /nfs/dbraw/zinc/96/27/74/1037962774.db2.gz OLHPKNCVUJKKBK-INIZCTEOSA-N 1 3 325.500 4.094 20 0 EIADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423101823 1037964044 /nfs/dbraw/zinc/96/40/44/1037964044.db2.gz DFRGJPBIGBFZBZ-MSOXQGRFSA-N 1 3 336.479 4.072 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423127847 1037972782 /nfs/dbraw/zinc/97/27/82/1037972782.db2.gz PSHKXABLJGFXBU-QNWVGRARSA-N 1 3 348.490 4.218 20 0 EIADHO [NH3+][C@@H]1C[C@H](NCC[C@@H](c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000423140106 1038012583 /nfs/dbraw/zinc/01/25/83/1038012583.db2.gz XHYHTQUZEGSOTH-KSZLIROESA-N 1 3 334.385 4.457 20 0 EIADHO C[C@@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423170479 1038022537 /nfs/dbraw/zinc/02/25/37/1038022537.db2.gz MDZNLDSIVONFDC-WNYOCNMUSA-N 1 3 342.870 4.247 20 0 EIADHO C[C@@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423170478 1038024329 /nfs/dbraw/zinc/02/43/29/1038024329.db2.gz MDZNLDSIVONFDC-LXGCGDOSSA-N 1 3 342.870 4.247 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000423293340 1038094946 /nfs/dbraw/zinc/09/49/46/1038094946.db2.gz QZURVEFUAMXDHG-YCRPNKLZSA-N 1 3 336.479 4.199 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cc(Br)cs2)cc1 ZINC000423293461 1038097052 /nfs/dbraw/zinc/09/70/52/1038097052.db2.gz RKBDMDIJOQPFMN-GHMZBOCLSA-N 1 3 339.302 4.381 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423368908 1038184565 /nfs/dbraw/zinc/18/45/65/1038184565.db2.gz DMNIISVCNWNTLY-IACUBPJLSA-N 1 3 333.476 4.178 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCN1 ZINC000423380576 1038194966 /nfs/dbraw/zinc/19/49/66/1038194966.db2.gz MZAYVAXNNPGAOH-ODVANORSSA-N 1 3 326.406 4.072 20 0 EIADHO CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423386675 1038195909 /nfs/dbraw/zinc/19/59/09/1038195909.db2.gz MIQFMTLCKLSWMP-NRFANRHFSA-N 1 3 336.479 4.417 20 0 EIADHO Cc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000423477283 1038250158 /nfs/dbraw/zinc/25/01/58/1038250158.db2.gz SEXKOYUEVSGIFG-UWWQBHOKSA-N 1 3 332.488 4.240 20 0 EIADHO c1c2ccccc2oc1[C@H](NCCC[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423491003 1038265516 /nfs/dbraw/zinc/26/55/16/1038265516.db2.gz YLLOWEYSGOLUGW-WIYYLYMNSA-N 1 3 335.451 4.039 20 0 EIADHO Cc1c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423521106 1038274179 /nfs/dbraw/zinc/27/41/79/1038274179.db2.gz SDWFVKKERHJLCC-HNAYVOBHSA-N 1 3 328.504 4.077 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000480763877 1038803519 /nfs/dbraw/zinc/80/35/19/1038803519.db2.gz WQDIHPYEQDJFEE-PBASOCQRSA-N 1 3 336.564 4.213 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000480763877 1038803524 /nfs/dbraw/zinc/80/35/24/1038803524.db2.gz WQDIHPYEQDJFEE-PBASOCQRSA-N 1 3 336.564 4.213 20 0 EIADHO CC(C)CCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480775859 1038811802 /nfs/dbraw/zinc/81/18/02/1038811802.db2.gz QPKPYDLFMQXTRH-ZWKOTPCHSA-N 1 3 330.516 4.246 20 0 EIADHO CC(C)CCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480775859 1038811804 /nfs/dbraw/zinc/81/18/04/1038811804.db2.gz QPKPYDLFMQXTRH-ZWKOTPCHSA-N 1 3 330.516 4.246 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539160620 1038862965 /nfs/dbraw/zinc/86/29/65/1038862965.db2.gz QKFXDEDQGIWJGV-GUYCJALGSA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539160620 1038862968 /nfs/dbraw/zinc/86/29/68/1038862968.db2.gz QKFXDEDQGIWJGV-GUYCJALGSA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539160620 1038862970 /nfs/dbraw/zinc/86/29/70/1038862970.db2.gz QKFXDEDQGIWJGV-GUYCJALGSA-N 1 3 326.406 4.088 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201327 1038879031 /nfs/dbraw/zinc/87/90/31/1038879031.db2.gz WTWIIUSWZHCSHY-KDOFPFPSSA-N 1 3 340.433 4.478 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201327 1038879034 /nfs/dbraw/zinc/87/90/34/1038879034.db2.gz WTWIIUSWZHCSHY-KDOFPFPSSA-N 1 3 340.433 4.478 20 0 EIADHO C[NH+](C)C1CCC(N2CCSC[C@@H]2c2cccc(Cl)c2)CC1 ZINC001168327562 1038898324 /nfs/dbraw/zinc/89/83/24/1038898324.db2.gz OQZBDRJLLGDFBC-DAWZGUTISA-N 1 3 338.948 4.303 20 0 EIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000414805562 1038987466 /nfs/dbraw/zinc/98/74/66/1038987466.db2.gz GNQYIJPDABCKDZ-NSHDSACASA-N 1 3 326.337 4.154 20 0 EIADHO CCOc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cc(Cl)c1OC ZINC000414804491 1039000672 /nfs/dbraw/zinc/00/06/72/1039000672.db2.gz FIRXEQPMOKNWCK-ZDUSSCGKSA-N 1 3 348.874 4.057 20 0 EIADHO CC(C)CCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815113 1039091257 /nfs/dbraw/zinc/09/12/57/1039091257.db2.gz WUSFANUZBVVUIT-QGZVFWFLSA-N 1 3 326.484 4.421 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001168360317 1039179293 /nfs/dbraw/zinc/17/92/93/1039179293.db2.gz NSVBJAKBLVBHOS-CYBMUJFWSA-N 1 3 342.405 4.110 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3c2cccc3OC)c1 ZINC000481295304 1039232097 /nfs/dbraw/zinc/23/20/97/1039232097.db2.gz OHYHUWXAXNYELX-NRFANRHFSA-N 1 3 338.495 4.314 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415518 1039437475 /nfs/dbraw/zinc/43/74/75/1039437475.db2.gz CWESGZXCEOBIGX-KGLIPLIRSA-N 1 3 345.314 4.145 20 0 EIADHO Cc1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c(C)c1 ZINC000122367375 1039680848 /nfs/dbraw/zinc/68/08/48/1039680848.db2.gz GAIVDGVTGLBBIE-GOSISDBHSA-N 1 3 326.484 4.095 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(F)c3ccccc32)CC1 ZINC000551030154 1039887203 /nfs/dbraw/zinc/88/72/03/1039887203.db2.gz YNZGAFKZAWPTDG-INIZCTEOSA-N 1 3 344.474 4.130 20 0 EIADHO COc1ccc(CC[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000481978127 1039924440 /nfs/dbraw/zinc/92/44/40/1039924440.db2.gz ZJLPEQFGKBXERU-SFHVURJKSA-N 1 3 344.543 4.403 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3ccc(C)nc3C)C2)s1 ZINC000514734038 1040197603 /nfs/dbraw/zinc/19/76/03/1040197603.db2.gz XZHHUNJNBAZMDY-SFHVURJKSA-N 1 3 343.540 4.022 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3ccc(C)nc3C)C2)s1 ZINC000514734038 1040197607 /nfs/dbraw/zinc/19/76/07/1040197607.db2.gz XZHHUNJNBAZMDY-SFHVURJKSA-N 1 3 343.540 4.022 20 0 EIADHO C[NH+]1CCC(CN[C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000482562311 1040353701 /nfs/dbraw/zinc/35/37/01/1040353701.db2.gz QEHDCGJTJUHUQC-LBPRGKRZSA-N 1 3 333.328 4.364 20 0 EIADHO C[C@@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000666993721 1040365900 /nfs/dbraw/zinc/36/59/00/1040365900.db2.gz GIUWQYBUYCFZFX-XJKSGUPXSA-N 1 3 326.406 4.073 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479466322 1040390977 /nfs/dbraw/zinc/39/09/77/1040390977.db2.gz RNJJXZYXLKYOIR-TVTNDZMWSA-N 1 3 338.470 4.171 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466322 1040391000 /nfs/dbraw/zinc/39/10/00/1040391000.db2.gz RNJJXZYXLKYOIR-TVTNDZMWSA-N 1 3 338.470 4.171 20 0 EIADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccccc1OC(F)F ZINC000483188975 1040764675 /nfs/dbraw/zinc/76/46/75/1040764675.db2.gz YHOXJVZEFABAIP-CJNGLKHVSA-N 1 3 328.447 4.305 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2sccc2OC)CC1)CC1CC1 ZINC000537755605 1040808251 /nfs/dbraw/zinc/80/82/51/1040808251.db2.gz MSNCYCLXTNNTON-UHFFFAOYSA-N 1 3 336.545 4.091 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2sccc2OC)CC1)CC1CC1 ZINC000537755605 1040808253 /nfs/dbraw/zinc/80/82/53/1040808253.db2.gz MSNCYCLXTNNTON-UHFFFAOYSA-N 1 3 336.545 4.091 20 0 EIADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccccc2Br)CC1 ZINC000483722466 1040974432 /nfs/dbraw/zinc/97/44/32/1040974432.db2.gz DIYZXVICCHAIQY-AWEZNQCLSA-N 1 3 339.321 4.222 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccc(Br)c21 ZINC000483734457 1040988636 /nfs/dbraw/zinc/98/86/36/1040988636.db2.gz XDQFQMGZLSZLQF-JXFSHQFZSA-N 1 3 337.305 4.070 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccc(Br)c21 ZINC000483734457 1040988660 /nfs/dbraw/zinc/98/86/60/1040988660.db2.gz XDQFQMGZLSZLQF-JXFSHQFZSA-N 1 3 337.305 4.070 20 0 EIADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000554374164 1041058289 /nfs/dbraw/zinc/05/82/89/1041058289.db2.gz PKOFMVVZQXZXPM-QGLKVJOYSA-N 1 3 330.491 4.157 20 0 EIADHO FC1(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000554374978 1041061677 /nfs/dbraw/zinc/06/16/77/1041061677.db2.gz DFGODXVOKUAYDI-SLFFLAALSA-N 1 3 330.491 4.159 20 0 EIADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000480244550 1041101842 /nfs/dbraw/zinc/10/18/42/1041101842.db2.gz VMXBQDHDJWRSKK-AOMKIAJQSA-N 1 3 338.470 4.445 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148278 1041196311 /nfs/dbraw/zinc/19/63/11/1041196311.db2.gz YKEWNEZPRJDYCY-OXQOHEQNSA-N 1 3 326.509 4.268 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148278 1041196324 /nfs/dbraw/zinc/19/63/24/1041196324.db2.gz YKEWNEZPRJDYCY-OXQOHEQNSA-N 1 3 326.509 4.268 20 0 EIADHO CSc1ccccc1[C@H](C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000194855125 1041232799 /nfs/dbraw/zinc/23/27/99/1041232799.db2.gz UAJKGUMQIHSXSM-INIZCTEOSA-N 1 3 344.524 4.200 20 0 EIADHO Cc1ccccc1OCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463063901 1041298634 /nfs/dbraw/zinc/29/86/34/1041298634.db2.gz FTFGNRQFWPGFJU-TZIWHRDSSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1ccccc1OCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463063901 1041298659 /nfs/dbraw/zinc/29/86/59/1041298659.db2.gz FTFGNRQFWPGFJU-TZIWHRDSSA-N 1 3 338.495 4.017 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1 ZINC000540258969 1041326334 /nfs/dbraw/zinc/32/63/34/1041326334.db2.gz KLUZKOPAYWHPDU-WMLDXEAASA-N 1 3 328.422 4.334 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@]3(CCN([C@H]4C[C@H]4c4ccccc4)C3)C2)cc1 ZINC000463195389 1041409845 /nfs/dbraw/zinc/40/98/45/1041409845.db2.gz WXQLQIMQIKDFFF-VABKMULXSA-N 1 3 332.491 4.141 20 0 EIADHO c1ccc(C[N@H+]2CC[C@]3(CCN([C@H]4C[C@H]4c4ccccc4)C3)C2)cc1 ZINC000463195389 1041409850 /nfs/dbraw/zinc/40/98/50/1041409850.db2.gz WXQLQIMQIKDFFF-VABKMULXSA-N 1 3 332.491 4.141 20 0 EIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NC3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668078 1041460308 /nfs/dbraw/zinc/46/03/08/1041460308.db2.gz VDHWVBLGLJIIEX-GHTZIAJQSA-N 1 3 326.528 4.394 20 0 EIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668078 1041460320 /nfs/dbraw/zinc/46/03/20/1041460320.db2.gz VDHWVBLGLJIIEX-GHTZIAJQSA-N 1 3 326.528 4.394 20 0 EIADHO CC(C)(C)[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2C(C)(C)C)COC1 ZINC000541071927 1041798365 /nfs/dbraw/zinc/79/83/65/1041798365.db2.gz RDLDVISRDQIQPI-HDICACEKSA-N 1 3 336.564 4.024 20 0 EIADHO CC(C)(C)[C@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2C(C)(C)C)COC1 ZINC000541071927 1041798373 /nfs/dbraw/zinc/79/83/73/1041798373.db2.gz RDLDVISRDQIQPI-HDICACEKSA-N 1 3 336.564 4.024 20 0 EIADHO CC(C)(C)[C@H]1CCC[N@H+]1CC1(CN2CCC[C@H]2C(C)(C)C)COC1 ZINC000541071927 1041798376 /nfs/dbraw/zinc/79/83/76/1041798376.db2.gz RDLDVISRDQIQPI-HDICACEKSA-N 1 3 336.564 4.024 20 0 EIADHO CC(C)(C)[C@H]1CCC[N@@H+]1CC1(CN2CCC[C@H]2C(C)(C)C)COC1 ZINC000541071927 1041798381 /nfs/dbraw/zinc/79/83/81/1041798381.db2.gz RDLDVISRDQIQPI-HDICACEKSA-N 1 3 336.564 4.024 20 0 EIADHO c1ccc(OCCCC[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000437751846 1041896169 /nfs/dbraw/zinc/89/61/69/1041896169.db2.gz LUNZCWGSOTZMPY-UHFFFAOYSA-N 1 3 330.516 4.090 20 0 EIADHO FC1(F)CC(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000425940690 1042017710 /nfs/dbraw/zinc/01/77/10/1042017710.db2.gz XNIPNMOUVJKIMA-HSALFYBXSA-N 1 3 348.481 4.312 20 0 EIADHO c1ccc(OCCCCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000438100028 1042048373 /nfs/dbraw/zinc/04/83/73/1042048373.db2.gz YEJNBWKHWKYFNO-FQEVSTJZSA-N 1 3 330.516 4.186 20 0 EIADHO COc1ccc2oc([C@H](C)[NH2+]CC[C@H]3CCCCN3C)c(C)c2c1 ZINC000541653727 1042057901 /nfs/dbraw/zinc/05/79/01/1042057901.db2.gz PFBJTIKVSWWYTE-JKSUJKDBSA-N 1 3 330.472 4.275 20 0 EIADHO Cc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)sc1Br ZINC000506344026 1042338977 /nfs/dbraw/zinc/33/89/77/1042338977.db2.gz WSRZZBSDQXMZJX-UHFFFAOYSA-N 1 3 345.350 4.124 20 0 EIADHO Cc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)sc1Br ZINC000506344026 1042338981 /nfs/dbraw/zinc/33/89/81/1042338981.db2.gz WSRZZBSDQXMZJX-UHFFFAOYSA-N 1 3 345.350 4.124 20 0 EIADHO COc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)c2ccccc12 ZINC000506386014 1042367525 /nfs/dbraw/zinc/36/75/25/1042367525.db2.gz NGJFDEIBYCGLFD-UHFFFAOYSA-N 1 3 326.484 4.153 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258746 1042436944 /nfs/dbraw/zinc/43/69/44/1042436944.db2.gz TYDROYGRANIVFW-GCJKJVERSA-N 1 3 338.495 4.038 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258746 1042436949 /nfs/dbraw/zinc/43/69/49/1042436949.db2.gz TYDROYGRANIVFW-GCJKJVERSA-N 1 3 338.495 4.038 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000414974628 1042461841 /nfs/dbraw/zinc/46/18/41/1042461841.db2.gz DUDJKIOKKVBLDZ-PGRDOPGGSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000414974628 1042461852 /nfs/dbraw/zinc/46/18/52/1042461852.db2.gz DUDJKIOKKVBLDZ-PGRDOPGGSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309875648 1042823152 /nfs/dbraw/zinc/82/31/52/1042823152.db2.gz SYKBHBQASWVKIU-VQIMIIECSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@H]([NH2+]CCSc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310170866 1042830186 /nfs/dbraw/zinc/83/01/86/1042830186.db2.gz UAUPBAFOHWMDDW-ICSRJNTNSA-N 1 3 340.536 4.279 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2ncccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311524979 1042861274 /nfs/dbraw/zinc/86/12/74/1042861274.db2.gz JZUIOWKBHLHJBI-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2ncccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311524979 1042861278 /nfs/dbraw/zinc/86/12/78/1042861278.db2.gz JZUIOWKBHLHJBI-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2ncccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311524979 1042861280 /nfs/dbraw/zinc/86/12/80/1042861280.db2.gz JZUIOWKBHLHJBI-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO FC(F)(F)C1CCC(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000178216242 1042861297 /nfs/dbraw/zinc/86/12/97/1042861297.db2.gz XYGZHCCHGHAWGY-UHFFFAOYSA-N 1 3 332.454 4.352 20 0 EIADHO C[C@H]1CC([NH2+]Cc2cc(F)cc(F)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168007754 1043023658 /nfs/dbraw/zinc/02/36/58/1043023658.db2.gz UJTWBFCUJKDXST-HOTGVXAUSA-N 1 3 344.449 4.496 20 0 EIADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168008876 1043085694 /nfs/dbraw/zinc/08/56/94/1043085694.db2.gz YFHVVSLUQIPRRO-UPHUGPLXSA-N 1 3 326.459 4.357 20 0 EIADHO C[C@H]1CC([NH2+]Cc2ccc(F)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001168008875 1043086304 /nfs/dbraw/zinc/08/63/04/1043086304.db2.gz YFHVVSLUQIPRRO-IRXDYDNUSA-N 1 3 326.459 4.357 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336181 1043125562 /nfs/dbraw/zinc/12/55/62/1043125562.db2.gz BJYGGLMQZQMTDZ-IEBWSBKVSA-N 1 3 326.459 4.389 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336181 1043125567 /nfs/dbraw/zinc/12/55/67/1043125567.db2.gz BJYGGLMQZQMTDZ-IEBWSBKVSA-N 1 3 326.459 4.389 20 0 EIADHO c1cc2cccc(CNC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000310953061 1043201743 /nfs/dbraw/zinc/20/17/43/1043201743.db2.gz ZQJPICCKIUSPAE-IBGZPJMESA-N 1 3 333.479 4.170 20 0 EIADHO c1cc2cccc(CNC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000310953061 1043201750 /nfs/dbraw/zinc/20/17/50/1043201750.db2.gz ZQJPICCKIUSPAE-IBGZPJMESA-N 1 3 333.479 4.170 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1cc2cnccc2o1 ZINC000657965812 1043222120 /nfs/dbraw/zinc/22/21/20/1043222120.db2.gz BOBQZHSXLJZENT-LNLFQRSKSA-N 1 3 349.478 4.389 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1cnc2ccccc2c1 ZINC000727465322 1043227672 /nfs/dbraw/zinc/22/76/72/1043227672.db2.gz AHTAUMXVCRVLEX-UHFFFAOYSA-N 1 3 333.479 4.366 20 0 EIADHO FC(F)(F)c1ccc(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000674005742 1043270554 /nfs/dbraw/zinc/27/05/54/1043270554.db2.gz NJLABTQLIJHLML-KRWDZBQOSA-N 1 3 340.433 4.056 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000508135283 1043287977 /nfs/dbraw/zinc/28/79/77/1043287977.db2.gz DICRAPBCINJDPH-IBGZPJMESA-N 1 3 338.495 4.184 20 0 EIADHO C[N@@H+]1CCC[C@H](CNCc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000520974170 1043458580 /nfs/dbraw/zinc/45/85/80/1043458580.db2.gz RSXKKVMIKSUDEI-CQSZACIVSA-N 1 3 334.916 4.500 20 0 EIADHO C[N@H+]1CCC[C@H](CNCc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000520974170 1043458594 /nfs/dbraw/zinc/45/85/94/1043458594.db2.gz RSXKKVMIKSUDEI-CQSZACIVSA-N 1 3 334.916 4.500 20 0 EIADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000665281334 1043669963 /nfs/dbraw/zinc/66/99/63/1043669963.db2.gz ZTJFDEFOZWIQRQ-HZPDHXFCSA-N 1 3 329.513 4.151 20 0 EIADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665283663 1043689104 /nfs/dbraw/zinc/68/91/04/1043689104.db2.gz RYTLIWNDYGFXNR-FUDKSRODSA-N 1 3 348.490 4.218 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000474033790 1043691392 /nfs/dbraw/zinc/69/13/92/1043691392.db2.gz LUTFVOUQTQHRJI-OXJNMPFZSA-N 1 3 330.516 4.128 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+](C)C)cc1)CCS2 ZINC000191489094 1043820956 /nfs/dbraw/zinc/82/09/56/1043820956.db2.gz KZYACZMUTPCHEK-IBGZPJMESA-N 1 3 342.508 4.084 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)ccc21 ZINC000327016909 1044405813 /nfs/dbraw/zinc/40/58/13/1044405813.db2.gz HMJOJOWVVUOPHZ-AEFFLSMTSA-N 1 3 335.495 4.387 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc21 ZINC000327016909 1044405833 /nfs/dbraw/zinc/40/58/33/1044405833.db2.gz HMJOJOWVVUOPHZ-AEFFLSMTSA-N 1 3 335.495 4.387 20 0 EIADHO Clc1cccc2c1C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001168719144 1044409081 /nfs/dbraw/zinc/40/90/81/1044409081.db2.gz UYAWVCYYPGIPQX-LPHOPBHVSA-N 1 3 344.930 4.218 20 0 EIADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001168719144 1044409087 /nfs/dbraw/zinc/40/90/87/1044409087.db2.gz UYAWVCYYPGIPQX-LPHOPBHVSA-N 1 3 344.930 4.218 20 0 EIADHO CC(C)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613481 1044467953 /nfs/dbraw/zinc/46/79/53/1044467953.db2.gz KZVIHCPSZJLCAF-SFTDATJTSA-N 1 3 329.532 4.098 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494984911 1044570504 /nfs/dbraw/zinc/57/05/04/1044570504.db2.gz HQEDPDXVFVUXNP-UTSMFGRCSA-N 1 3 327.516 4.071 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494984911 1044570520 /nfs/dbraw/zinc/57/05/20/1044570520.db2.gz HQEDPDXVFVUXNP-UTSMFGRCSA-N 1 3 327.516 4.071 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)CNC1CC[NH+](C2CC2)CC1 ZINC000673599493 1044858946 /nfs/dbraw/zinc/85/89/46/1044858946.db2.gz XWQAXESQCHBZEQ-KAMYIIQDSA-N 1 3 338.417 4.325 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cscc1Br ZINC000512148702 1044968323 /nfs/dbraw/zinc/96/83/23/1044968323.db2.gz XVWISMMKMHIPOS-ZDUSSCGKSA-N 1 3 345.350 4.255 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cscc1Br ZINC000512148702 1044968334 /nfs/dbraw/zinc/96/83/34/1044968334.db2.gz XVWISMMKMHIPOS-ZDUSSCGKSA-N 1 3 345.350 4.255 20 0 EIADHO Cc1nc([C@@H](C)N2CC[C@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000923480068 1045132285 /nfs/dbraw/zinc/13/22/85/1045132285.db2.gz DULRNROEFBNKEI-KGLIPLIRSA-N 1 3 333.863 4.035 20 0 EIADHO CCn1c2ccccc2c2cc(CNC[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000237006617 1045372910 /nfs/dbraw/zinc/37/29/10/1045372910.db2.gz FLTCUGOJJNBEKR-SFHVURJKSA-N 1 3 335.495 4.246 20 0 EIADHO CCn1c2ccccc2c2cc(CNC[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000237006617 1045372915 /nfs/dbraw/zinc/37/29/15/1045372915.db2.gz FLTCUGOJJNBEKR-SFHVURJKSA-N 1 3 335.495 4.246 20 0 EIADHO C[C@H](Cc1cccc(F)c1)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001168501373 1045498188 /nfs/dbraw/zinc/49/81/88/1045498188.db2.gz NWQGYCWPOPCJOZ-QGZVFWFLSA-N 1 3 332.507 4.486 20 0 EIADHO C[C@H](Cc1cccc(F)c1)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001168501373 1045498193 /nfs/dbraw/zinc/49/81/93/1045498193.db2.gz NWQGYCWPOPCJOZ-QGZVFWFLSA-N 1 3 332.507 4.486 20 0 EIADHO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001168501373 1045498199 /nfs/dbraw/zinc/49/81/99/1045498199.db2.gz NWQGYCWPOPCJOZ-QGZVFWFLSA-N 1 3 332.507 4.486 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000054337867 1045571979 /nfs/dbraw/zinc/57/19/79/1045571979.db2.gz LTVQPYZSFKHRSK-UHFFFAOYSA-N 1 3 331.891 4.052 20 0 EIADHO c1ccc(Sc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000533607789 1045648586 /nfs/dbraw/zinc/64/85/86/1045648586.db2.gz CIRJATGWKMDJSE-GOSISDBHSA-N 1 3 338.520 4.412 20 0 EIADHO CCC[NH+]1CCC(N[C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000161622067 1046011636 /nfs/dbraw/zinc/01/16/36/1046011636.db2.gz AGSKNECYPUYYIX-HUUCEWRRSA-N 1 3 331.529 4.252 20 0 EIADHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1OCC ZINC000125985795 1046407804 /nfs/dbraw/zinc/40/78/04/1046407804.db2.gz VVTYGTIODRYDLR-ZWKOTPCHSA-N 1 3 348.531 4.255 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661022 1046629275 /nfs/dbraw/zinc/62/92/75/1046629275.db2.gz VBTAQFGTOSWVRH-XJKSGUPXSA-N 1 3 335.542 4.034 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661022 1046629293 /nfs/dbraw/zinc/62/92/93/1046629293.db2.gz VBTAQFGTOSWVRH-XJKSGUPXSA-N 1 3 335.542 4.034 20 0 EIADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1F ZINC000536714355 1046707203 /nfs/dbraw/zinc/70/72/03/1046707203.db2.gz XRUCMJPDOMPLQZ-UHFFFAOYSA-N 1 3 345.437 4.098 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(F)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644803 1046737649 /nfs/dbraw/zinc/73/76/49/1046737649.db2.gz CPYLNOWWZTYXQS-CNDZOEFASA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(F)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644803 1046737660 /nfs/dbraw/zinc/73/76/60/1046737660.db2.gz CPYLNOWWZTYXQS-CNDZOEFASA-N 1 3 338.470 4.456 20 0 EIADHO CC(C)[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000536961941 1046869693 /nfs/dbraw/zinc/86/96/93/1046869693.db2.gz VMVPKWCRSKGGDB-DNVCBOLYSA-N 1 3 345.487 4.085 20 0 EIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(OCC2CC2)c(F)c1 ZINC000537123102 1046954897 /nfs/dbraw/zinc/95/48/97/1046954897.db2.gz CMRWDMLZFHNVEX-QAPCUYQASA-N 1 3 334.479 4.140 20 0 EIADHO C[C@H]1CC[C@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001170120355 1047476667 /nfs/dbraw/zinc/47/66/67/1047476667.db2.gz GBMJJHJTIQBRRH-BBRMVZONSA-N 1 3 326.406 4.144 20 0 EIADHO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000824775076 1047930667 /nfs/dbraw/zinc/93/06/67/1047930667.db2.gz YFVHBNRDGSHPJV-BHYGNILZSA-N 1 3 341.326 4.071 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000556857535 1048076459 /nfs/dbraw/zinc/07/64/59/1048076459.db2.gz CKSDQMAWLNNSAC-QWFCFKBJSA-N 1 3 346.563 4.379 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1(C)C ZINC001171103393 1048186423 /nfs/dbraw/zinc/18/64/23/1048186423.db2.gz ALGJGDUSYWJVIG-QGZVFWFLSA-N 1 3 334.935 4.438 20 0 EIADHO Clc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171105368 1048198453 /nfs/dbraw/zinc/19/84/53/1048198453.db2.gz SWFIDBONIJLUNA-IBGZPJMESA-N 1 3 332.919 4.194 20 0 EIADHO CN(C/C=C/c1ccc(F)c(F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738810 1048513668 /nfs/dbraw/zinc/51/36/68/1048513668.db2.gz KTNCHWGXUACSFM-SNAWJCMRSA-N 1 3 330.422 4.172 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cncc3ccccc32)c1 ZINC000772918652 1048599650 /nfs/dbraw/zinc/59/96/50/1048599650.db2.gz NNPJJSUKXVRFOG-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cncc3ccccc32)c1 ZINC000772918652 1048599664 /nfs/dbraw/zinc/59/96/64/1048599664.db2.gz NNPJJSUKXVRFOG-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO Cc1cc2cc(N(CC[NH3+])C34CC5CC(CC(C5)C3)C4)ccc2cn1 ZINC001170630959 1049029246 /nfs/dbraw/zinc/02/92/46/1049029246.db2.gz RVZARVOQTCPVII-UHFFFAOYSA-N 1 3 335.495 4.277 20 0 EIADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000817893270 1049053217 /nfs/dbraw/zinc/05/32/17/1049053217.db2.gz DENAWHDATNESNL-UIFIKXQLSA-N 1 3 330.516 4.055 20 0 EIADHO COc1c(C)cc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cc1Cl ZINC000817948805 1049064221 /nfs/dbraw/zinc/06/42/21/1049064221.db2.gz LNYQRFVBFVOJRG-CQSZACIVSA-N 1 3 332.875 4.009 20 0 EIADHO Cc1c([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cnn1-c1ccccc1 ZINC000817962512 1049069602 /nfs/dbraw/zinc/06/96/02/1049069602.db2.gz JGSODUYDVFNHTA-HZPDHXFCSA-N 1 3 334.467 4.051 20 0 EIADHO Cc1cc([C@H](C)NCCOCC[NH2+][C@@H](C)c2cc(C)oc2C)c(C)o1 ZINC000348098006 1049418055 /nfs/dbraw/zinc/41/80/55/1049418055.db2.gz XXUGYFGNHLZWOH-HOTGVXAUSA-N 1 3 348.487 4.124 20 0 EIADHO c1cc(C2CCCC2)ccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000812756423 1049567888 /nfs/dbraw/zinc/56/78/88/1049567888.db2.gz JQKZGRGXVZYMJE-QFIPXVFZSA-N 1 3 342.527 4.077 20 0 EIADHO FC1(F)CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716716090 1049703354 /nfs/dbraw/zinc/70/33/54/1049703354.db2.gz ZNVYCAGQONXAJS-WDSOQIARSA-N 1 3 334.454 4.207 20 0 EIADHO CC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716715763 1049704218 /nfs/dbraw/zinc/70/42/18/1049704218.db2.gz DNQATEGATDXOIW-KSZLIROESA-N 1 3 336.470 4.311 20 0 EIADHO Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623434 1049768023 /nfs/dbraw/zinc/76/80/23/1049768023.db2.gz YQKYCNPAGVRNQK-KRWDZBQOSA-N 1 3 332.532 4.312 20 0 EIADHO COCCC1([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCC(F)(F)CC1 ZINC001171626903 1049769499 /nfs/dbraw/zinc/76/94/99/1049769499.db2.gz GPNUDIGZDDJCRW-UHFFFAOYSA-N 1 3 346.506 4.212 20 0 EIADHO COc1cccc(CCC[N@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171641420 1049779278 /nfs/dbraw/zinc/77/92/78/1049779278.db2.gz GVVDOJYMPNRXCG-UHFFFAOYSA-N 1 3 332.532 4.211 20 0 EIADHO COc1cccc(CCC[N@@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171641420 1049779288 /nfs/dbraw/zinc/77/92/88/1049779288.db2.gz GVVDOJYMPNRXCG-UHFFFAOYSA-N 1 3 332.532 4.211 20 0 EIADHO COc1ccc(C2=CCN(C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc1 ZINC001171641630 1049779533 /nfs/dbraw/zinc/77/95/33/1049779533.db2.gz RGOKBETWMDNECK-UHFFFAOYSA-N 1 3 342.527 4.436 20 0 EIADHO COc1ccc(C2=CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171641630 1049779541 /nfs/dbraw/zinc/77/95/41/1049779541.db2.gz RGOKBETWMDNECK-UHFFFAOYSA-N 1 3 342.527 4.436 20 0 EIADHO COc1ccc(C2=CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)cc1 ZINC001171641630 1049779548 /nfs/dbraw/zinc/77/95/48/1049779548.db2.gz RGOKBETWMDNECK-UHFFFAOYSA-N 1 3 342.527 4.436 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005855 1049819944 /nfs/dbraw/zinc/81/99/44/1049819944.db2.gz RMTJOBAMWPCHOP-IPMKNSEASA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005855 1049819946 /nfs/dbraw/zinc/81/99/46/1049819946.db2.gz RMTJOBAMWPCHOP-IPMKNSEASA-N 1 3 330.491 4.022 20 0 EIADHO CN(C[C@H]1CCCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076440 1049845320 /nfs/dbraw/zinc/84/53/20/1049845320.db2.gz YOKNTWVFPLFCQJ-CLAROIROSA-N 1 3 342.527 4.073 20 0 EIADHO CN(C[C@H]1CCCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076440 1049845324 /nfs/dbraw/zinc/84/53/24/1049845324.db2.gz YOKNTWVFPLFCQJ-CLAROIROSA-N 1 3 342.527 4.073 20 0 EIADHO Cc1ncccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062004 1049849803 /nfs/dbraw/zinc/84/98/03/1049849803.db2.gz KQSLYPZDXVNEIY-DKUWSORSSA-N 1 3 335.495 4.065 20 0 EIADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](NCCOC2CCCC2)C3)cc1 ZINC001172063525 1049850039 /nfs/dbraw/zinc/85/00/39/1049850039.db2.gz AGZAIRSBYAKMKZ-WKCHPHFGSA-N 1 3 342.527 4.121 20 0 EIADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](NCCOC2CCCC2)C3)cc1 ZINC001172063525 1049850041 /nfs/dbraw/zinc/85/00/41/1049850041.db2.gz AGZAIRSBYAKMKZ-WKCHPHFGSA-N 1 3 342.527 4.121 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001172122999 1049858121 /nfs/dbraw/zinc/85/81/21/1049858121.db2.gz XARZRQDCIXVRLY-KOUNCHBCSA-N 1 3 335.495 4.099 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001172122999 1049858123 /nfs/dbraw/zinc/85/81/23/1049858123.db2.gz XARZRQDCIXVRLY-KOUNCHBCSA-N 1 3 335.495 4.099 20 0 EIADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CS2 ZINC001172200150 1049869812 /nfs/dbraw/zinc/86/98/12/1049869812.db2.gz IBVXGHQXVJWWPK-SFHVURJKSA-N 1 3 330.541 4.090 20 0 EIADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001172319420 1049877423 /nfs/dbraw/zinc/87/74/23/1049877423.db2.gz QUNPRFHXWOVOBT-BGJPATFMSA-N 1 3 344.543 4.080 20 0 EIADHO c1ccc([C@@H]2CC[C@H]([NH2+]CC3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC001172558562 1049932706 /nfs/dbraw/zinc/93/27/06/1049932706.db2.gz VLGVPSAGBYHZPB-PKTZIBPZSA-N 1 3 349.522 4.220 20 0 EIADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[C@H]1CCCN1C ZINC001172568176 1049938284 /nfs/dbraw/zinc/93/82/84/1049938284.db2.gz OXUPDLNJZHBXJM-TZMCWYRMSA-N 1 3 330.850 4.013 20 0 EIADHO CC(C)c1nc(CNCCCCC[NH+]2CCCCC2)c2ccccn21 ZINC001177679626 1050276982 /nfs/dbraw/zinc/27/69/82/1050276982.db2.gz WZUFIZHYOMMBHW-UHFFFAOYSA-N 1 3 342.531 4.204 20 0 EIADHO CC[NH+](CC)C1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001173103487 1050305715 /nfs/dbraw/zinc/30/57/15/1050305715.db2.gz JMZAIMFMBCYIHS-AOMIVXANSA-N 1 3 337.511 4.414 20 0 EIADHO [NH3+]C1(c2cccnc2)CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173119193 1050315449 /nfs/dbraw/zinc/31/54/49/1050315449.db2.gz ZZWWIKFINWPHOA-UHFFFAOYSA-N 1 3 327.516 4.225 20 0 EIADHO CCc1ccc(C[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC001173241981 1050397734 /nfs/dbraw/zinc/39/77/34/1050397734.db2.gz RKUATEABQQHWAA-GOSISDBHSA-N 1 3 328.544 4.424 20 0 EIADHO CC1CC[NH+](C2CCC(NCc3nc4c(s3)CCCC4)CC2)CC1 ZINC001178280672 1050425504 /nfs/dbraw/zinc/42/55/04/1050425504.db2.gz NTIVPBTYLMEIMX-UHFFFAOYSA-N 1 3 347.572 4.155 20 0 EIADHO Clc1cc(CNCC2CC[NH+](CC3CC3)CC2)c(Cl)s1 ZINC001179254345 1050659965 /nfs/dbraw/zinc/65/99/65/1050659965.db2.gz ZBJBTEXCMZQXJS-UHFFFAOYSA-N 1 3 333.328 4.267 20 0 EIADHO C[NH+](C)CCOc1cccc(CNCc2csc3ccccc23)c1 ZINC000069711623 1050773313 /nfs/dbraw/zinc/77/33/13/1050773313.db2.gz JXNAQIXPPUVLGP-UHFFFAOYSA-N 1 3 340.492 4.132 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCS2)ccc1OC ZINC000183107338 1050979834 /nfs/dbraw/zinc/97/98/34/1050979834.db2.gz OSGZIQKRHAFHDR-QAPCUYQASA-N 1 3 336.545 4.083 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCS2)ccc1OC ZINC000183107355 1050980336 /nfs/dbraw/zinc/98/03/36/1050980336.db2.gz OSGZIQKRHAFHDR-YJBOKZPZSA-N 1 3 336.545 4.083 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCS2)ccc1OC ZINC000183107372 1050981539 /nfs/dbraw/zinc/98/15/39/1050981539.db2.gz OSGZIQKRHAFHDR-CRAIPNDOSA-N 1 3 336.545 4.083 20 0 EIADHO CC(C)(C)[C@@]1(C[NH2+][C@H]2CSC2(C)C)CCN(Cc2ccccc2)C1 ZINC001181204819 1051180480 /nfs/dbraw/zinc/18/04/80/1051180480.db2.gz IMBBSNPNWGJUDA-GHTZIAJQSA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@@]1(CN[C@H]2CSC2(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181204819 1051180487 /nfs/dbraw/zinc/18/04/87/1051180487.db2.gz IMBBSNPNWGJUDA-GHTZIAJQSA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@@]1(CN[C@H]2CSC2(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181204819 1051180493 /nfs/dbraw/zinc/18/04/93/1051180493.db2.gz IMBBSNPNWGJUDA-GHTZIAJQSA-N 1 3 346.584 4.408 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@H](OC)C(C)C)cc1CN1CCCCC1 ZINC000775396033 1051217685 /nfs/dbraw/zinc/21/76/85/1051217685.db2.gz OWYVVHMMDCBTCK-UWJYYQICSA-N 1 3 348.531 4.003 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCSC2)ccc1OC ZINC000775397548 1051218099 /nfs/dbraw/zinc/21/80/99/1051218099.db2.gz WDDAHFHITGUISV-QAPCUYQASA-N 1 3 336.545 4.083 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153745319 1051221848 /nfs/dbraw/zinc/22/18/48/1051221848.db2.gz KXFVSXHUMYSUHK-OWCLPIDISA-N 1 3 343.540 4.395 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153745319 1051221859 /nfs/dbraw/zinc/22/18/59/1051221859.db2.gz KXFVSXHUMYSUHK-OWCLPIDISA-N 1 3 343.540 4.395 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2OC)ccc1OC ZINC000775416051 1051290764 /nfs/dbraw/zinc/29/07/64/1051290764.db2.gz CWDTYNUTRUWUJF-XKGZKEIXSA-N 1 3 348.531 4.003 20 0 EIADHO Cc1ccc(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181698599 1051291058 /nfs/dbraw/zinc/29/10/58/1051291058.db2.gz SYIQSSFCRDRLBB-DEOSSOPVSA-N 1 3 348.534 4.444 20 0 EIADHO Cc1ccc(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181698599 1051291064 /nfs/dbraw/zinc/29/10/64/1051291064.db2.gz SYIQSSFCRDRLBB-DEOSSOPVSA-N 1 3 348.534 4.444 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(C)CCOCC2)ccc1OC ZINC000775416679 1051292578 /nfs/dbraw/zinc/29/25/78/1051292578.db2.gz WREPXEPLDLFCGF-QGZVFWFLSA-N 1 3 348.531 4.004 20 0 EIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCCC3(F)F)CC2)C1 ZINC001182054104 1051386476 /nfs/dbraw/zinc/38/64/76/1051386476.db2.gz SDNQLPCNFSABMC-SOLBZPMBSA-N 1 3 328.491 4.445 20 0 EIADHO CC(C)CC1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495026 1051466967 /nfs/dbraw/zinc/46/69/67/1051466967.db2.gz FPDGBDFEECPWOZ-QFIPXVFZSA-N 1 3 344.543 4.036 20 0 EIADHO CC(C)CC1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001191495026 1051466976 /nfs/dbraw/zinc/46/69/76/1051466976.db2.gz FPDGBDFEECPWOZ-QFIPXVFZSA-N 1 3 344.543 4.036 20 0 EIADHO [NH3+]C[C@]1(F)CCCN(Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001205571450 1051553498 /nfs/dbraw/zinc/55/34/98/1051553498.db2.gz URGBZBWBMSRQIE-AWEZNQCLSA-N 1 3 338.776 4.012 20 0 EIADHO C[C@@H]1SCC[C@@H]1[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001182726492 1051689279 /nfs/dbraw/zinc/68/92/79/1051689279.db2.gz UBWVZDNFWOZPGK-CUWPLCDZSA-N 1 3 346.584 4.408 20 0 EIADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001182783851 1051712148 /nfs/dbraw/zinc/71/21/48/1051712148.db2.gz YNGAHHOHLUMWKK-RTWAWAEBSA-N 1 3 329.532 4.242 20 0 EIADHO CC(C)(C)c1cccc(OCCC[NH+]2CCC(C)(N3CCC3)CC2)c1 ZINC001175669950 1051723074 /nfs/dbraw/zinc/72/30/74/1051723074.db2.gz WJHBREHTLWBLLO-UHFFFAOYSA-N 1 3 344.543 4.313 20 0 EIADHO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@H](C)N(C)C ZINC001183105098 1051791822 /nfs/dbraw/zinc/79/18/22/1051791822.db2.gz YHHIGUYBXBWQEK-RYUDHWBXSA-N 1 3 336.829 4.220 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCOC23CCCCC3)CC1 ZINC001184067501 1051941881 /nfs/dbraw/zinc/94/18/81/1051941881.db2.gz RRXJRILXVFAMII-RLLQIKCJSA-N 1 3 334.548 4.111 20 0 EIADHO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)C[N@H+](C)CC ZINC001193974317 1052035164 /nfs/dbraw/zinc/03/51/64/1052035164.db2.gz BOIUGEMZNICWEB-RBUKOAKNSA-N 1 3 340.939 4.062 20 0 EIADHO CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)C[N@@H+](C)CC ZINC001193974317 1052035175 /nfs/dbraw/zinc/03/51/75/1052035175.db2.gz BOIUGEMZNICWEB-RBUKOAKNSA-N 1 3 340.939 4.062 20 0 EIADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165309565 1052056449 /nfs/dbraw/zinc/05/64/49/1052056449.db2.gz DLVLXDIJMLATDM-MJGOQNOKSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165309565 1052056465 /nfs/dbraw/zinc/05/64/65/1052056465.db2.gz DLVLXDIJMLATDM-MJGOQNOKSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccsc1[C@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165309953 1052058266 /nfs/dbraw/zinc/05/82/66/1052058266.db2.gz DLVLXDIJMLATDM-PKOBYXMFSA-N 1 3 328.525 4.272 20 0 EIADHO Cc1ccsc1[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165309953 1052058285 /nfs/dbraw/zinc/05/82/85/1052058285.db2.gz DLVLXDIJMLATDM-PKOBYXMFSA-N 1 3 328.525 4.272 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1 ZINC000296663324 1052091850 /nfs/dbraw/zinc/09/18/50/1052091850.db2.gz FSPUASCBVYVCTM-UHFFFAOYSA-N 1 3 340.511 4.046 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000336890330 1052107059 /nfs/dbraw/zinc/10/70/59/1052107059.db2.gz NNXMLDJSVYXAMH-QFIPXVFZSA-N 1 3 338.495 4.401 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000177836378 1052691679 /nfs/dbraw/zinc/69/16/79/1052691679.db2.gz MDUOHUVGOKYRQE-HZPDHXFCSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)C[NH+]1CCC(N[C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000177836378 1052691682 /nfs/dbraw/zinc/69/16/82/1052691682.db2.gz MDUOHUVGOKYRQE-HZPDHXFCSA-N 1 3 345.556 4.498 20 0 EIADHO Clc1cccc2c1OCCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000178254348 1052703754 /nfs/dbraw/zinc/70/37/54/1052703754.db2.gz KDAYTCXPFVDXTJ-GOSISDBHSA-N 1 3 334.891 4.018 20 0 EIADHO C[C@H]1C[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000179598289 1052743588 /nfs/dbraw/zinc/74/35/88/1052743588.db2.gz QWFCCIPQIIGIAQ-AFAVFJNCSA-N 1 3 326.406 4.229 20 0 EIADHO C[C@H]1C[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000179598289 1052743594 /nfs/dbraw/zinc/74/35/94/1052743594.db2.gz QWFCCIPQIIGIAQ-AFAVFJNCSA-N 1 3 326.406 4.229 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623868152 1052830238 /nfs/dbraw/zinc/83/02/38/1052830238.db2.gz URPAZBMHSDOUTG-LBPRGKRZSA-N 1 3 344.396 4.370 20 0 EIADHO Cc1csc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000623924198 1052838836 /nfs/dbraw/zinc/83/88/36/1052838836.db2.gz VLRCZIRXESRYOW-ZIFCJYIRSA-N 1 3 343.540 4.403 20 0 EIADHO Cc1csc([C@H](C)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000623924198 1052838841 /nfs/dbraw/zinc/83/88/41/1052838841.db2.gz VLRCZIRXESRYOW-ZIFCJYIRSA-N 1 3 343.540 4.403 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120223 1052867583 /nfs/dbraw/zinc/86/75/83/1052867583.db2.gz UPLSCUDDTUKNME-RHSMWYFYSA-N 1 3 326.431 4.061 20 0 EIADHO COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)ccc2c1 ZINC000624120027 1052867611 /nfs/dbraw/zinc/86/76/11/1052867611.db2.gz PROHRKJMUXKSMJ-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)oc21 ZINC000624122398 1052868267 /nfs/dbraw/zinc/86/82/67/1052868267.db2.gz QJUCJAJSSBETOF-HOTGVXAUSA-N 1 3 330.472 4.214 20 0 EIADHO CCN(c1ccc(NCc2ccnn2-c2cc[nH+]cc2)cc1)C(C)C ZINC000850044347 1053062641 /nfs/dbraw/zinc/06/26/41/1053062641.db2.gz JZRLLDUACBGGLL-UHFFFAOYSA-N 1 3 335.455 4.114 20 0 EIADHO CC(C)c1cnc(CNCC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000865774080 1053589329 /nfs/dbraw/zinc/58/93/29/1053589329.db2.gz OTFXYAQCQFJSLZ-UHFFFAOYSA-N 1 3 343.540 4.020 20 0 EIADHO COCC[N@H+](C)CCCNCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001199238253 1054370184 /nfs/dbraw/zinc/37/01/84/1054370184.db2.gz MRXNBAFYNLLTCT-UHFFFAOYSA-N 1 3 346.902 4.065 20 0 EIADHO COCC[N@@H+](C)CCCNCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001199238253 1054370193 /nfs/dbraw/zinc/37/01/93/1054370193.db2.gz MRXNBAFYNLLTCT-UHFFFAOYSA-N 1 3 346.902 4.065 20 0 EIADHO c1ccc(CC[NH+]2CCC(NCc3cccc4ncccc34)CC2)cc1 ZINC000872124506 1054404420 /nfs/dbraw/zinc/40/44/20/1054404420.db2.gz OQGHNTPHSJEHOX-UHFFFAOYSA-N 1 3 345.490 4.032 20 0 EIADHO CCC1(N(C)C)CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000872670920 1054457447 /nfs/dbraw/zinc/45/74/47/1054457447.db2.gz KGCUEONFVTZLQJ-UHFFFAOYSA-N 1 3 329.513 4.134 20 0 EIADHO Clc1cccc(C2(NCc3cc4c(s3)CC[NH2+]C4)CCC2)c1 ZINC000873213497 1054509290 /nfs/dbraw/zinc/50/92/90/1054509290.db2.gz FTQCENZCWDAFNA-UHFFFAOYSA-N 1 3 332.900 4.216 20 0 EIADHO CCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201751397 1054896376 /nfs/dbraw/zinc/89/63/76/1054896376.db2.gz TVSDQUVIXNUKTE-YADHBBJMSA-N 1 3 348.575 4.027 20 0 EIADHO CCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001201751397 1054896380 /nfs/dbraw/zinc/89/63/80/1054896380.db2.gz TVSDQUVIXNUKTE-YADHBBJMSA-N 1 3 348.575 4.027 20 0 EIADHO CCCCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1Cl ZINC001202018624 1054982355 /nfs/dbraw/zinc/98/23/55/1054982355.db2.gz REHJRONLQIEYDF-INIZCTEOSA-N 1 3 338.923 4.481 20 0 EIADHO FC(F)C1(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000671762704 1055053821 /nfs/dbraw/zinc/05/38/21/1055053821.db2.gz GYPRWQFEIDKXDS-GBESFXJTSA-N 1 3 348.481 4.312 20 0 EIADHO CN(Cc1cc2c(ccnc2Cl)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000877525197 1055071990 /nfs/dbraw/zinc/07/19/90/1055071990.db2.gz UTUAJCCPYDEEQA-UHFFFAOYSA-N 1 3 343.858 4.175 20 0 EIADHO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC001169110504 1060657364 /nfs/dbraw/zinc/65/73/64/1060657364.db2.gz LVSRREZYZJLHHH-YYIAUSFCSA-N 1 3 337.305 4.115 20 0 EIADHO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001169110504 1060657372 /nfs/dbraw/zinc/65/73/72/1060657372.db2.gz LVSRREZYZJLHHH-YYIAUSFCSA-N 1 3 337.305 4.115 20 0 EIADHO CN1CCCC[C@@H]1c1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)nc1 ZINC001169141807 1060662323 /nfs/dbraw/zinc/66/23/23/1060662323.db2.gz KWSLKQMCLDDPLD-OPYAIIAOSA-N 1 3 344.547 4.194 20 0 EIADHO CC1(C)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC(C)(C)O1 ZINC001169342979 1060777276 /nfs/dbraw/zinc/77/72/76/1060777276.db2.gz QSJLAXGEUDYKQV-UHFFFAOYSA-N 1 3 330.516 4.062 20 0 EIADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cccc2cc[nH]c21 ZINC000532374317 1032214923 /nfs/dbraw/zinc/21/49/23/1032214923.db2.gz FPAPDCFIMMKZTG-QZTJIDSGSA-N 1 3 347.506 4.414 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C)c(OC)c2)c1 ZINC000194229555 1032242380 /nfs/dbraw/zinc/24/23/80/1032242380.db2.gz FSMPYUPAKIJDKG-UHFFFAOYSA-N 1 3 326.484 4.135 20 0 EIADHO Cc1nc(C)c([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000178424713 1032537620 /nfs/dbraw/zinc/53/76/20/1032537620.db2.gz KKTWNBOEGKVOLG-AWEZNQCLSA-N 1 3 329.513 4.207 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000236881957 1032725319 /nfs/dbraw/zinc/72/53/19/1032725319.db2.gz MHWQJWAGKSAIAH-UHFFFAOYSA-N 1 3 338.495 4.142 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1 ZINC000236881957 1032725337 /nfs/dbraw/zinc/72/53/37/1032725337.db2.gz MHWQJWAGKSAIAH-UHFFFAOYSA-N 1 3 338.495 4.142 20 0 EIADHO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000643546131 1018897222 /nfs/dbraw/zinc/89/72/22/1018897222.db2.gz JEGOLFQUIZYMDL-KKUMJFAQSA-N 1 3 329.513 4.053 20 0 EIADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H](C)c1nc2ccccc2s1 ZINC000643546131 1018897225 /nfs/dbraw/zinc/89/72/25/1018897225.db2.gz JEGOLFQUIZYMDL-KKUMJFAQSA-N 1 3 329.513 4.053 20 0 EIADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000643546201 1018899735 /nfs/dbraw/zinc/89/97/35/1018899735.db2.gz KGDPICLPQGNFBP-XCJDPYLSSA-N 1 3 342.527 4.227 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000631108894 1019975184 /nfs/dbraw/zinc/97/51/84/1019975184.db2.gz IBFWDCZZCOPVOM-CRAIPNDOSA-N 1 3 345.437 4.019 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC000327714271 1020165093 /nfs/dbraw/zinc/16/50/93/1020165093.db2.gz CLIJOENQRAZFJG-UHFFFAOYSA-N 1 3 333.479 4.366 20 0 EIADHO Fc1ccc(/C=C/CNC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000510209687 1020464248 /nfs/dbraw/zinc/46/42/48/1020464248.db2.gz RANQYVITXUPMRA-QPJJXVBHSA-N 1 3 342.433 4.232 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2ccccc2c1 ZINC000398182559 1020524866 /nfs/dbraw/zinc/52/48/66/1020524866.db2.gz XHRNVYBEYQWKRG-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2ccccc2c1 ZINC000398182559 1020524877 /nfs/dbraw/zinc/52/48/77/1020524877.db2.gz XHRNVYBEYQWKRG-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2ccccc2c1 ZINC000398182565 1020525284 /nfs/dbraw/zinc/52/52/84/1020525284.db2.gz XHRNVYBEYQWKRG-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2ccccc2c1 ZINC000398182565 1020525302 /nfs/dbraw/zinc/52/53/02/1020525302.db2.gz XHRNVYBEYQWKRG-XMSQKQJNSA-N 1 3 345.490 4.235 20 0 EIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000655805515 1020972747 /nfs/dbraw/zinc/97/27/47/1020972747.db2.gz OTRTYFXBVFRADQ-CFLQYTFWSA-N 1 3 346.877 4.498 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC001167321967 1021091574 /nfs/dbraw/zinc/09/15/74/1021091574.db2.gz MRXWCJQKAPENRO-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC001167321967 1021091581 /nfs/dbraw/zinc/09/15/81/1021091581.db2.gz MRXWCJQKAPENRO-UHFFFAOYSA-N 1 3 345.918 4.440 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000340519546 1021187200 /nfs/dbraw/zinc/18/72/00/1021187200.db2.gz MPXVEPCQBHKTHE-NRFANRHFSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000340519546 1021187206 /nfs/dbraw/zinc/18/72/06/1021187206.db2.gz MPXVEPCQBHKTHE-NRFANRHFSA-N 1 3 338.495 4.400 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](c1cccc(F)c1)C(C)(C)C ZINC000422841875 1021650025 /nfs/dbraw/zinc/65/00/25/1021650025.db2.gz XAHGTZMFMGYEHR-AUUYWEPGSA-N 1 3 329.463 4.426 20 0 EIADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414106244 1021859976 /nfs/dbraw/zinc/85/99/76/1021859976.db2.gz IFZPMMGQCPZIHU-OAHLLOKOSA-N 1 3 329.513 4.193 20 0 EIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000088164240 1022549713 /nfs/dbraw/zinc/54/97/13/1022549713.db2.gz FZVDUDLMWFEPMS-FCLXEUQJSA-N 1 3 337.305 4.115 20 0 EIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000088164240 1022549725 /nfs/dbraw/zinc/54/97/25/1022549725.db2.gz FZVDUDLMWFEPMS-FCLXEUQJSA-N 1 3 337.305 4.115 20 0 EIADHO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000310846190 1022645832 /nfs/dbraw/zinc/64/58/32/1022645832.db2.gz IKTMIQOSVWWJRU-PZJWPPBQSA-N 1 3 340.511 4.493 20 0 EIADHO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310846186 1022648347 /nfs/dbraw/zinc/64/83/47/1022648347.db2.gz IKTMIQOSVWWJRU-CTNGQTDRSA-N 1 3 340.511 4.493 20 0 EIADHO COc1cccc2cc([C@H](C)NCc3cccc(C[NH+](C)C)c3)oc21 ZINC000181439294 1022654019 /nfs/dbraw/zinc/65/40/19/1022654019.db2.gz QHDCRTHKFHMYMN-HNNXBMFYSA-N 1 3 338.451 4.354 20 0 EIADHO COc1cccc([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000310891195 1022681753 /nfs/dbraw/zinc/68/17/53/1022681753.db2.gz KPYVCGHXNWWOMP-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310891195 1022681769 /nfs/dbraw/zinc/68/17/69/1022681769.db2.gz KPYVCGHXNWWOMP-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO c1sc(-c2ccccc2)nc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543409 1022794870 /nfs/dbraw/zinc/79/48/70/1022794870.db2.gz MXXAHMSQWSYYQT-MSOLQXFVSA-N 1 3 341.524 4.022 20 0 EIADHO CCC[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccnc1 ZINC000363863291 1022866243 /nfs/dbraw/zinc/86/62/43/1022866243.db2.gz KJAFPAAPZLAYFW-LNLFQRSKSA-N 1 3 329.513 4.267 20 0 EIADHO CCC[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cccnc1 ZINC000363863291 1022866248 /nfs/dbraw/zinc/86/62/48/1022866248.db2.gz KJAFPAAPZLAYFW-LNLFQRSKSA-N 1 3 329.513 4.267 20 0 EIADHO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000382069718 1022870799 /nfs/dbraw/zinc/87/07/99/1022870799.db2.gz RWYAIVIHTITHSO-LPHOPBHVSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@@]1(CNCc2ccnc3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000382250757 1023088742 /nfs/dbraw/zinc/08/87/42/1023088742.db2.gz AKOMJIKXVJULDO-QHCPKHFHSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@@]1(CNCc2ccnc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000382250757 1023088757 /nfs/dbraw/zinc/08/87/57/1023088757.db2.gz AKOMJIKXVJULDO-QHCPKHFHSA-N 1 3 345.490 4.237 20 0 EIADHO [NH3+]CCC[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000415051933 1023410105 /nfs/dbraw/zinc/41/01/05/1023410105.db2.gz KAMDGTOEIAUECW-KRWDZBQOSA-N 1 3 340.364 4.414 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1Cl ZINC000656682575 1023433565 /nfs/dbraw/zinc/43/35/65/1023433565.db2.gz DKOPWYWXZPEKCS-MRXNPFEDSA-N 1 3 343.902 4.298 20 0 EIADHO Brc1ccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000415090349 1023435264 /nfs/dbraw/zinc/43/52/64/1023435264.db2.gz ZBMXOSARXIWCHD-DLBZAZTESA-N 1 3 337.305 4.022 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)s1 ZINC000656684943 1023439457 /nfs/dbraw/zinc/43/94/57/1023439457.db2.gz ZANPIYMCSDORHJ-CQSZACIVSA-N 1 3 349.931 4.359 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](N)CC(C)C)s2)cc1 ZINC000415096618 1023441319 /nfs/dbraw/zinc/44/13/19/1023441319.db2.gz BTOWOFXXGQXBIL-XJKSGUPXSA-N 1 3 347.528 4.151 20 0 EIADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000500420899 1023814789 /nfs/dbraw/zinc/81/47/89/1023814789.db2.gz LYNUFAJNEXCBOS-QZFKAFNDSA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000500420899 1023814791 /nfs/dbraw/zinc/81/47/91/1023814791.db2.gz LYNUFAJNEXCBOS-QZFKAFNDSA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000500420899 1023814794 /nfs/dbraw/zinc/81/47/94/1023814794.db2.gz LYNUFAJNEXCBOS-QZFKAFNDSA-N 1 3 340.433 4.430 20 0 EIADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1C(F)(F)F ZINC000131766635 1023972342 /nfs/dbraw/zinc/97/23/42/1023972342.db2.gz IFDAJTRZXYREGR-AVOUXACISA-N 1 3 326.406 4.371 20 0 EIADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1C(F)(F)F ZINC000131766635 1023972325 /nfs/dbraw/zinc/97/23/25/1023972325.db2.gz IFDAJTRZXYREGR-AVOUXACISA-N 1 3 326.406 4.371 20 0 EIADHO Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315184 1025068719 /nfs/dbraw/zinc/06/87/19/1025068719.db2.gz RVFWFGMYWRZEFU-CZUORRHYSA-N 1 3 333.501 4.051 20 0 EIADHO CC[NH+](CC)CCOC1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000342105001 1025259260 /nfs/dbraw/zinc/25/92/60/1025259260.db2.gz XZYSKNFIVMDDGL-INIZCTEOSA-N 1 3 338.923 4.224 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466121 1025392727 /nfs/dbraw/zinc/39/27/27/1025392727.db2.gz OGPKONRAAXYPMH-LAUBAEHRSA-N 1 3 337.511 4.257 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466121 1025392734 /nfs/dbraw/zinc/39/27/34/1025392734.db2.gz OGPKONRAAXYPMH-LAUBAEHRSA-N 1 3 337.511 4.257 20 0 EIADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467333 1025398485 /nfs/dbraw/zinc/39/84/85/1025398485.db2.gz DWCAFYHQDXYNPX-FUHWJXTLSA-N 1 3 332.557 4.051 20 0 EIADHO CC(C)CCOc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000563154207 1025439175 /nfs/dbraw/zinc/43/91/75/1025439175.db2.gz SEJKHVMGSHMSJD-QGZVFWFLSA-N 1 3 326.484 4.421 20 0 EIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000303204497 1025476612 /nfs/dbraw/zinc/47/66/12/1025476612.db2.gz PBZBXCMYFIKOHV-UHFFFAOYSA-N 1 3 326.459 4.170 20 0 EIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000303204497 1025476628 /nfs/dbraw/zinc/47/66/28/1025476628.db2.gz PBZBXCMYFIKOHV-UHFFFAOYSA-N 1 3 326.459 4.170 20 0 EIADHO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925784389 1025643802 /nfs/dbraw/zinc/64/38/02/1025643802.db2.gz RBRQMJJUQXUZRZ-DZGCQCFKSA-N 1 3 328.472 4.083 20 0 EIADHO CCCOc1ccc(CNCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000657300582 1025819947 /nfs/dbraw/zinc/81/99/47/1025819947.db2.gz PZVFGINJZVQOTB-UHFFFAOYSA-N 1 3 326.484 4.135 20 0 EIADHO CCc1ccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000550121667 1026177828 /nfs/dbraw/zinc/17/78/28/1026177828.db2.gz AANRQQLCOSXXHG-UHFFFAOYSA-N 1 3 349.522 4.132 20 0 EIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000344295249 1026222019 /nfs/dbraw/zinc/22/20/19/1026222019.db2.gz JKKHEQLYUAXKCV-HBMCJLEFSA-N 1 3 344.543 4.131 20 0 EIADHO c1cc2cc(CNCc3ccc(C[NH+]4CCCCC4)cc3)ccc2[nH]1 ZINC000582191747 1026317373 /nfs/dbraw/zinc/31/73/73/1026317373.db2.gz KHLCTGIISYOCTO-UHFFFAOYSA-N 1 3 333.479 4.444 20 0 EIADHO C[C@@H](NCc1cc2ccncc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430594 1026645021 /nfs/dbraw/zinc/64/50/21/1026645021.db2.gz RSQZTABUPRTFDR-ZBFHGGJFSA-N 1 3 329.513 4.039 20 0 EIADHO C[C@@H](NCc1cc2ccncc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430594 1026645028 /nfs/dbraw/zinc/64/50/28/1026645028.db2.gz RSQZTABUPRTFDR-ZBFHGGJFSA-N 1 3 329.513 4.039 20 0 EIADHO Cc1ccccc1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432673081 1026711234 /nfs/dbraw/zinc/71/12/34/1026711234.db2.gz VRSVDMOTHNCYRX-LJQANCHMSA-N 1 3 326.509 4.201 20 0 EIADHO C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)c1nc2ccccc2n1C ZINC000091368215 1026906008 /nfs/dbraw/zinc/90/60/08/1026906008.db2.gz NYCQJMQNMIRROT-WWDZGPRUSA-N 1 3 340.515 4.021 20 0 EIADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613479 1027289071 /nfs/dbraw/zinc/28/90/71/1027289071.db2.gz KZVIHCPSZJLCAF-NHCUHLMSSA-N 1 3 329.532 4.098 20 0 EIADHO CC(C)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613294 1027290170 /nfs/dbraw/zinc/29/01/70/1027290170.db2.gz XGXZYNVSVLYUAX-UHFFFAOYSA-N 1 3 337.511 4.207 20 0 EIADHO CC[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000657613235 1027290290 /nfs/dbraw/zinc/29/02/90/1027290290.db2.gz JKDZIKBDWFVJCZ-OAQYLSRUSA-N 1 3 337.511 4.077 20 0 EIADHO CC[NH+]1CCC(N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000204973664 1027304020 /nfs/dbraw/zinc/30/40/20/1027304020.db2.gz LTOCAPWSJFNHRR-GOSISDBHSA-N 1 3 331.891 4.273 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000102422251 1027441273 /nfs/dbraw/zinc/44/12/73/1027441273.db2.gz BVPRQFIBQGASLA-UHFFFAOYSA-N 1 3 336.479 4.092 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCC1=Cc2ccccc2OC1 ZINC000102422251 1027441293 /nfs/dbraw/zinc/44/12/93/1027441293.db2.gz BVPRQFIBQGASLA-UHFFFAOYSA-N 1 3 336.479 4.092 20 0 EIADHO [NH3+][C@H]1CCC[C@@H](CNCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000582952354 1027754167 /nfs/dbraw/zinc/75/41/67/1027754167.db2.gz WFOMHDCJYMNBRT-DOMZBBRYSA-N 1 3 335.904 4.071 20 0 EIADHO [NH3+][C@H]1CCC[C@H](CNCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000582952357 1027754889 /nfs/dbraw/zinc/75/48/89/1027754889.db2.gz WFOMHDCJYMNBRT-WFASDCNBSA-N 1 3 335.904 4.071 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1OC ZINC000474941547 1027810543 /nfs/dbraw/zinc/81/05/43/1027810543.db2.gz JLHHRLRTIZVMQR-KURKYZTESA-N 1 3 348.531 4.050 20 0 EIADHO COc1ccc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000522546631 1028008275 /nfs/dbraw/zinc/00/82/75/1028008275.db2.gz XDWMPKPMAMJBFI-DYVFJYSZSA-N 1 3 326.912 4.366 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000583528844 1028846581 /nfs/dbraw/zinc/84/65/81/1028846581.db2.gz OPBHMMOBNQTZMM-SFHVURJKSA-N 1 3 339.483 4.401 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(Br)cc1 ZINC000650760141 1029235063 /nfs/dbraw/zinc/23/50/63/1029235063.db2.gz XKNKQAJMZIUKAA-CYBMUJFWSA-N 1 3 333.273 4.019 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCC(OC)CC2)ccc1OC ZINC000840793212 1029342839 /nfs/dbraw/zinc/34/28/39/1029342839.db2.gz QOYDNONKRIBIAX-PBPGXSGUSA-N 1 3 348.531 4.145 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000192682796 1029362620 /nfs/dbraw/zinc/36/26/20/1029362620.db2.gz UEBSSHDGUJJDTJ-FQEVSTJZSA-N 1 3 342.483 4.167 20 0 EIADHO Cc1ncccc1C[N@@H+](C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168060241 1029468589 /nfs/dbraw/zinc/46/85/89/1029468589.db2.gz VZWIIVAXJCIOAN-OPMZPASUSA-N 1 3 337.511 4.263 20 0 EIADHO Cc1ncccc1C[N@H+](C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168060241 1029468604 /nfs/dbraw/zinc/46/86/04/1029468604.db2.gz VZWIIVAXJCIOAN-OPMZPASUSA-N 1 3 337.511 4.263 20 0 EIADHO Cc1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000475282812 1029496684 /nfs/dbraw/zinc/49/66/84/1029496684.db2.gz HCVUGGKCSCYXAX-FQEVSTJZSA-N 1 3 345.490 4.155 20 0 EIADHO Cc1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000475282812 1029496693 /nfs/dbraw/zinc/49/66/93/1029496693.db2.gz HCVUGGKCSCYXAX-FQEVSTJZSA-N 1 3 345.490 4.155 20 0 EIADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CCCS2 ZINC000446747916 1029556422 /nfs/dbraw/zinc/55/64/22/1029556422.db2.gz JNGDQYUCTLWVOH-SFHVURJKSA-N 1 3 334.529 4.088 20 0 EIADHO CC[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000446820826 1029588804 /nfs/dbraw/zinc/58/88/04/1029588804.db2.gz HXDFEBDSORWXBN-OAQYLSRUSA-N 1 3 344.474 4.397 20 0 EIADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601016 1030221010 /nfs/dbraw/zinc/22/10/10/1030221010.db2.gz OLWXYLCKDDCTBF-OPYAIIAOSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000447601016 1030221023 /nfs/dbraw/zinc/22/10/23/1030221023.db2.gz OLWXYLCKDDCTBF-OPYAIIAOSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)CC[NH+]1CCC(CNCc2ncc(C(C)(C)C)s2)CC1 ZINC000447944346 1030431490 /nfs/dbraw/zinc/43/14/90/1030431490.db2.gz RERLSESKSFQZBW-UHFFFAOYSA-N 1 3 337.577 4.288 20 0 EIADHO C[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000527111371 1030501121 /nfs/dbraw/zinc/50/11/21/1030501121.db2.gz UAGPOEQRTIZNDO-AZUAARDMSA-N 1 3 340.486 4.083 20 0 EIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(F)c(F)c3)CC2)C1 ZINC000527291163 1030614698 /nfs/dbraw/zinc/61/46/98/1030614698.db2.gz RAZJNCDDQSBPLZ-MAUKXSAKSA-N 1 3 336.470 4.140 20 0 EIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc(F)c(F)c3)CC2)C1 ZINC000527291162 1030616530 /nfs/dbraw/zinc/61/65/30/1030616530.db2.gz RAZJNCDDQSBPLZ-CRAIPNDOSA-N 1 3 336.470 4.140 20 0 EIADHO CCCN1CCC([N@H+](C)CCOc2ccc3ccccc3c2)CC1 ZINC000530666153 1030623801 /nfs/dbraw/zinc/62/38/01/1030623801.db2.gz YKXNANMZZDNFHR-UHFFFAOYSA-N 1 3 326.484 4.025 20 0 EIADHO CCCN1CCC([N@@H+](C)CCOc2ccc3ccccc3c2)CC1 ZINC000530666153 1030623812 /nfs/dbraw/zinc/62/38/12/1030623812.db2.gz YKXNANMZZDNFHR-UHFFFAOYSA-N 1 3 326.484 4.025 20 0 EIADHO C[C@H]([NH2+]CCCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000527354935 1030662744 /nfs/dbraw/zinc/66/27/44/1030662744.db2.gz OAFPUEYSCGKFCQ-OALUTQOASA-N 1 3 330.516 4.088 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000398037983 1030690871 /nfs/dbraw/zinc/69/08/71/1030690871.db2.gz QOMYXALHUONLMM-WWMYMODYSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000398037983 1030690888 /nfs/dbraw/zinc/69/08/88/1030690888.db2.gz QOMYXALHUONLMM-WWMYMODYSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1coc2ccccc12 ZINC000398108250 1030697297 /nfs/dbraw/zinc/69/72/97/1030697297.db2.gz CDZZNAMKPLQJRD-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1coc2ccccc12 ZINC000398108250 1030697308 /nfs/dbraw/zinc/69/73/08/1030697308.db2.gz CDZZNAMKPLQJRD-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164473 1030860174 /nfs/dbraw/zinc/86/01/74/1030860174.db2.gz DKGAFRGGTXBZIQ-NMNUPHIUSA-N 1 3 349.522 4.075 20 0 EIADHO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000658255847 1030928584 /nfs/dbraw/zinc/92/85/84/1030928584.db2.gz WOSDQJHISCPTBZ-MOPGFXCFSA-N 1 3 334.548 4.109 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cccnc1 ZINC000658320508 1030983706 /nfs/dbraw/zinc/98/37/06/1030983706.db2.gz YWLGNKGGFLMZFN-RXVVDRJESA-N 1 3 335.495 4.035 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C)ccc2C)[C@@H](C)C1 ZINC000532501182 1031221046 /nfs/dbraw/zinc/22/10/46/1031221046.db2.gz AIMZGOMPKVMFOQ-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(C)ccc2C)[C@@H](C)C1 ZINC000532501182 1031221059 /nfs/dbraw/zinc/22/10/59/1031221059.db2.gz AIMZGOMPKVMFOQ-ZJOUEHCJSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(C)ccc2C)[C@@H](C)C1 ZINC000532501183 1031222520 /nfs/dbraw/zinc/22/25/20/1031222520.db2.gz AIMZGOMPKVMFOQ-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(C)ccc2C)[C@@H](C)C1 ZINC000532501183 1031222542 /nfs/dbraw/zinc/22/25/42/1031222542.db2.gz AIMZGOMPKVMFOQ-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000531614318 1031431877 /nfs/dbraw/zinc/43/18/77/1031431877.db2.gz BSAZSHKFOBXINT-QGZVFWFLSA-N 1 3 343.540 4.350 20 0 EIADHO CC[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000453211168 1031727426 /nfs/dbraw/zinc/72/74/26/1031727426.db2.gz NDDSJBDKXUPHAK-HXUWFJFHSA-N 1 3 344.524 4.462 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000531958969 1031878039 /nfs/dbraw/zinc/87/80/39/1031878039.db2.gz HCMKGAVIKAHKPO-CABCVRRESA-N 1 3 328.422 4.476 20 0 EIADHO CCCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000453370688 1031916130 /nfs/dbraw/zinc/91/61/30/1031916130.db2.gz VTVKOZWXAGBSGS-BPIHKTFHSA-N 1 3 346.515 4.150 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCc2ccc(F)cc21 ZINC000531993448 1031960450 /nfs/dbraw/zinc/96/04/50/1031960450.db2.gz REIDHIUROASVGN-URZJWIJPSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCc2ccc(F)cc21 ZINC000531993448 1031960457 /nfs/dbraw/zinc/96/04/57/1031960457.db2.gz REIDHIUROASVGN-URZJWIJPSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)nc1)N(C)Cc1ccccc1 ZINC000179135355 1032015727 /nfs/dbraw/zinc/01/57/27/1032015727.db2.gz ZMHJBOORUBZAJO-CVEARBPZSA-N 1 3 331.891 4.296 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001168264684 1032028270 /nfs/dbraw/zinc/02/82/70/1032028270.db2.gz LTKYTYDHUCOSQM-GHTZIAJQSA-N 1 3 326.528 4.433 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168264684 1032028276 /nfs/dbraw/zinc/02/82/76/1032028276.db2.gz LTKYTYDHUCOSQM-GHTZIAJQSA-N 1 3 326.528 4.433 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000052209083 1034476973 /nfs/dbraw/zinc/47/69/73/1034476973.db2.gz VPATXYTWXUYPMV-UHFFFAOYSA-N 1 3 341.499 4.286 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000052209083 1034476982 /nfs/dbraw/zinc/47/69/82/1034476982.db2.gz VPATXYTWXUYPMV-UHFFFAOYSA-N 1 3 341.499 4.286 20 0 EIADHO c1cncc([C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C2CCC2)c1 ZINC000280295042 1035224511 /nfs/dbraw/zinc/22/45/11/1035224511.db2.gz NBSVAMHENMDHQJ-JOCHJYFZSA-N 1 3 335.495 4.308 20 0 EIADHO Cc1ccccc1[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000500985355 1035337998 /nfs/dbraw/zinc/33/79/98/1035337998.db2.gz RREMORLBRPOSRM-OAQYLSRUSA-N 1 3 345.575 4.088 20 0 EIADHO Cc1cccc([C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C(C)(C)C)c1 ZINC000500988450 1035338725 /nfs/dbraw/zinc/33/87/25/1035338725.db2.gz CPIRTZQSEPCGDH-OAQYLSRUSA-N 1 3 345.575 4.088 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000501466376 1035449347 /nfs/dbraw/zinc/44/93/47/1035449347.db2.gz JNXGAHNQKXKFCR-AWIOHZCQSA-N 1 3 326.406 4.181 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000501466376 1035449352 /nfs/dbraw/zinc/44/93/52/1035449352.db2.gz JNXGAHNQKXKFCR-AWIOHZCQSA-N 1 3 326.406 4.181 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000575200895 1035720666 /nfs/dbraw/zinc/72/06/66/1035720666.db2.gz NNZCQPBRGJCWMR-HMFYCAOWSA-N 1 3 344.543 4.352 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000575200895 1035720686 /nfs/dbraw/zinc/72/06/86/1035720686.db2.gz NNZCQPBRGJCWMR-HMFYCAOWSA-N 1 3 344.543 4.352 20 0 EIADHO C/C(=C\c1ccccc1)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000588177622 1036285581 /nfs/dbraw/zinc/28/55/81/1036285581.db2.gz LFWZCDBUJZOIJS-CZIZESTLSA-N 1 3 334.507 4.387 20 0 EIADHO C[C@H](NC/C=C/c1ccc(F)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486472924 1036721352 /nfs/dbraw/zinc/72/13/52/1036721352.db2.gz DPKARZYRVMHYLF-NLOMCHEHSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H](NC/C=C/c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486472924 1036721385 /nfs/dbraw/zinc/72/13/85/1036721385.db2.gz DPKARZYRVMHYLF-NLOMCHEHSA-N 1 3 338.470 4.339 20 0 EIADHO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486472924 1036721413 /nfs/dbraw/zinc/72/14/13/1036721413.db2.gz DPKARZYRVMHYLF-NLOMCHEHSA-N 1 3 338.470 4.339 20 0 EIADHO CC1CC[NH+](Cc2ccc(CNCc3n[nH]c4ccccc43)cc2)CC1 ZINC000589639275 1036855237 /nfs/dbraw/zinc/85/52/37/1036855237.db2.gz TWVCJYYXPKKNIL-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO CC1CC[NH+](Cc2ccc(CNCc3[nH]nc4ccccc43)cc2)CC1 ZINC000589639275 1036855238 /nfs/dbraw/zinc/85/52/38/1036855238.db2.gz TWVCJYYXPKKNIL-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO Clc1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168372759 1037135202 /nfs/dbraw/zinc/13/52/02/1037135202.db2.gz KTAKNOATNRIPFC-UHFFFAOYSA-N 1 3 348.918 4.058 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000488347087 1037536817 /nfs/dbraw/zinc/53/68/17/1037536817.db2.gz TUTWGEADLYCSTC-UHFFFAOYSA-N 1 3 341.499 4.204 20 0 EIADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000573596135 1037597165 /nfs/dbraw/zinc/59/71/65/1037597165.db2.gz CXUZOHUXCCXLCQ-OBHPCNEJSA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000573596135 1037597172 /nfs/dbraw/zinc/59/71/72/1037597172.db2.gz CXUZOHUXCCXLCQ-OBHPCNEJSA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000573596135 1037597180 /nfs/dbraw/zinc/59/71/80/1037597180.db2.gz CXUZOHUXCCXLCQ-OBHPCNEJSA-N 1 3 340.433 4.430 20 0 EIADHO CC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)N(CC)CC ZINC000605425136 1037779776 /nfs/dbraw/zinc/77/97/76/1037779776.db2.gz WFQOCXCEMFBPLS-FXAWDEMLSA-N 1 3 345.531 4.120 20 0 EIADHO CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N(CC)CC ZINC000605425136 1037779783 /nfs/dbraw/zinc/77/97/83/1037779783.db2.gz WFQOCXCEMFBPLS-FXAWDEMLSA-N 1 3 345.531 4.120 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000422733086 1037809320 /nfs/dbraw/zinc/80/93/20/1037809320.db2.gz QNSGJKIIMZSKIE-VXGBXAGGSA-N 1 3 337.389 4.279 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422715730 1037812605 /nfs/dbraw/zinc/81/26/05/1037812605.db2.gz MNRWCIOGHJOVNV-LLVKDONJSA-N 1 3 338.282 4.049 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCCOC1CCCCC1 ZINC000422718518 1037813817 /nfs/dbraw/zinc/81/38/17/1037813817.db2.gz XLTFYCNPECMYQU-INIZCTEOSA-N 1 3 333.520 4.019 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCCOC1CCCCC1 ZINC000422718523 1037814165 /nfs/dbraw/zinc/81/41/65/1037814165.db2.gz XLTFYCNPECMYQU-MRXNPFEDSA-N 1 3 333.520 4.019 20 0 EIADHO COc1cccc([C@@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)c1 ZINC000422776013 1037830575 /nfs/dbraw/zinc/83/05/75/1037830575.db2.gz BVQRLMXSYKEFPU-AUUYWEPGSA-N 1 3 332.875 4.155 20 0 EIADHO N[C@@H]1C[C@@H]([NH2+]CCc2csc(-c3ccccc3)n2)c2ccccc21 ZINC000422776631 1037830999 /nfs/dbraw/zinc/83/09/99/1037830999.db2.gz AQSXDIDIHNCRAT-RTBURBONSA-N 1 3 335.476 4.087 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000422789886 1037840004 /nfs/dbraw/zinc/84/00/04/1037840004.db2.gz XCZAVJYORMPLGE-NEPJUHHUSA-N 1 3 348.288 4.023 20 0 EIADHO CC(C)c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422874720 1037861610 /nfs/dbraw/zinc/86/16/10/1037861610.db2.gz ASPAXCHLLICOHO-UNMCSNQZSA-N 1 3 336.479 4.156 20 0 EIADHO c1ccc2c(c1)cccc2CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924190 1037870498 /nfs/dbraw/zinc/87/04/98/1037870498.db2.gz YCVQWZXZVBAFHM-GGAORHGYSA-N 1 3 344.458 4.185 20 0 EIADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422982771 1037894788 /nfs/dbraw/zinc/89/47/88/1037894788.db2.gz RGPSCLCPZWDWHV-DYVFJYSZSA-N 1 3 331.891 4.174 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC(C)(C)c2ccccc21 ZINC000423010952 1037898693 /nfs/dbraw/zinc/89/86/93/1037898693.db2.gz AKOCLTYNVPBLKT-DOTOQJQBSA-N 1 3 337.511 4.355 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423093518 1037953301 /nfs/dbraw/zinc/95/33/01/1037953301.db2.gz HWBFPTYWWUIVQD-YEWWUXTCSA-N 1 3 329.875 4.099 20 0 EIADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423107708 1037986187 /nfs/dbraw/zinc/98/61/87/1037986187.db2.gz QBBBNQWTQFSEFG-QRVBRYPASA-N 1 3 336.907 4.057 20 0 EIADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146212 1037994703 /nfs/dbraw/zinc/99/47/03/1037994703.db2.gz OPPUROHPGBOIAQ-WVSUBDOOSA-N 1 3 328.887 4.134 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423172160 1038028601 /nfs/dbraw/zinc/02/86/01/1038028601.db2.gz RPYDJGQSAUQOPB-CQSZACIVSA-N 1 3 343.902 4.176 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cc(Br)cs2)cc1 ZINC000423293463 1038095440 /nfs/dbraw/zinc/09/54/40/1038095440.db2.gz RKBDMDIJOQPFMN-QWRGUYRKSA-N 1 3 339.302 4.381 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000423291260 1038096939 /nfs/dbraw/zinc/09/69/39/1038096939.db2.gz HNJXBVDDVOFYND-UGSOOPFHSA-N 1 3 330.859 4.363 20 0 EIADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCS2 ZINC000423291668 1038097135 /nfs/dbraw/zinc/09/71/35/1038097135.db2.gz JIERSUAHDIZLHN-SCLBCKFNSA-N 1 3 328.481 4.042 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000423290073 1038097473 /nfs/dbraw/zinc/09/74/73/1038097473.db2.gz CHEOENVLQACINH-STQMWFEESA-N 1 3 338.373 4.456 20 0 EIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423498592 1038254723 /nfs/dbraw/zinc/25/47/23/1038254723.db2.gz IHASLSNIJFDTAJ-GCJKJVERSA-N 1 3 348.494 4.062 20 0 EIADHO [NH3+]CCC[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000423499230 1038255012 /nfs/dbraw/zinc/25/50/12/1038255012.db2.gz IZZHRZVFEBWWQT-ZWKOTPCHSA-N 1 3 330.472 4.432 20 0 EIADHO COc1ccc([C@H](N[C@H]2CC[C@H](C[NH3+])C2)c2ccccc2Cl)cc1 ZINC000423502054 1038256787 /nfs/dbraw/zinc/25/67/87/1038256787.db2.gz JMFRYYKHUKJWOY-UVFQYZLESA-N 1 3 344.886 4.155 20 0 EIADHO c1c2ccccc2oc1[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423491002 1038264643 /nfs/dbraw/zinc/26/46/43/1038264643.db2.gz YLLOWEYSGOLUGW-RXVVDRJESA-N 1 3 335.451 4.039 20 0 EIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(-c2ccccc2)nn1C ZINC000423521355 1038275746 /nfs/dbraw/zinc/27/57/46/1038275746.db2.gz SSFHYYXITKZPPY-FXAWDEMLSA-N 1 3 348.494 4.218 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](N[C@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000490269969 1038417148 /nfs/dbraw/zinc/41/71/48/1038417148.db2.gz FJHMJMMQTCHPLV-BWAGFHJFSA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](N[C@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000490269969 1038417159 /nfs/dbraw/zinc/41/71/59/1038417159.db2.gz FJHMJMMQTCHPLV-BWAGFHJFSA-N 1 3 344.543 4.099 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000480763878 1038804014 /nfs/dbraw/zinc/80/40/14/1038804014.db2.gz WQDIHPYEQDJFEE-VMXMFDLUSA-N 1 3 336.564 4.213 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000480763878 1038804017 /nfs/dbraw/zinc/80/40/17/1038804017.db2.gz WQDIHPYEQDJFEE-VMXMFDLUSA-N 1 3 336.564 4.213 20 0 EIADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000539058431 1038804399 /nfs/dbraw/zinc/80/43/99/1038804399.db2.gz JONIJNGJMLMQFX-FKBYEOEOSA-N 1 3 344.543 4.058 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000480763876 1038804471 /nfs/dbraw/zinc/80/44/71/1038804471.db2.gz WQDIHPYEQDJFEE-NRDMVMEKSA-N 1 3 336.564 4.213 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000480763876 1038804472 /nfs/dbraw/zinc/80/44/72/1038804472.db2.gz WQDIHPYEQDJFEE-NRDMVMEKSA-N 1 3 336.564 4.213 20 0 EIADHO CC(C)CCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480775856 1038810659 /nfs/dbraw/zinc/81/06/59/1038810659.db2.gz QPKPYDLFMQXTRH-ROUUACIJSA-N 1 3 330.516 4.246 20 0 EIADHO CC(C)CCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480775856 1038810662 /nfs/dbraw/zinc/81/06/62/1038810662.db2.gz QPKPYDLFMQXTRH-ROUUACIJSA-N 1 3 330.516 4.246 20 0 EIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480775850 1038811367 /nfs/dbraw/zinc/81/13/67/1038811367.db2.gz QPKPYDLFMQXTRH-MSOLQXFVSA-N 1 3 330.516 4.246 20 0 EIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480775850 1038811368 /nfs/dbraw/zinc/81/13/68/1038811368.db2.gz QPKPYDLFMQXTRH-MSOLQXFVSA-N 1 3 330.516 4.246 20 0 EIADHO CC(C)(C)N1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424305220 1038813206 /nfs/dbraw/zinc/81/32/06/1038813206.db2.gz RTINEDFXYPUNHI-SFHVURJKSA-N 1 3 343.540 4.279 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424377213 1038838015 /nfs/dbraw/zinc/83/80/15/1038838015.db2.gz QQHGIWILRYIAQF-HFBAOOFYSA-N 1 3 333.476 4.178 20 0 EIADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CCCC[C@H]3N)s2)cc1 ZINC000424380631 1038840291 /nfs/dbraw/zinc/84/02/91/1038840291.db2.gz XHIRJFHRBSGOFB-CSMYWGQOSA-N 1 3 345.512 4.048 20 0 EIADHO Fc1ccc(-c2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)cc1 ZINC001168364677 1038843602 /nfs/dbraw/zinc/84/36/02/1038843602.db2.gz GRVZYRDWVPPVTC-UHFFFAOYSA-N 1 3 338.470 4.457 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000504905724 1038845615 /nfs/dbraw/zinc/84/56/15/1038845615.db2.gz MWZUXDMIQYEOHG-HUUCEWRRSA-N 1 3 328.422 4.273 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000056522125 1038848943 /nfs/dbraw/zinc/84/89/43/1038848943.db2.gz KMNQMCFKLAFNOZ-UHFFFAOYSA-N 1 3 347.890 4.159 20 0 EIADHO Cc1cc(Br)ccc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414801697 1038982183 /nfs/dbraw/zinc/98/21/83/1038982183.db2.gz ALRXLDODXJCNNH-ZDUSSCGKSA-N 1 3 333.273 4.067 20 0 EIADHO c1csc(-c2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)c1 ZINC001168360220 1039038960 /nfs/dbraw/zinc/03/89/60/1039038960.db2.gz LPSZBGARZFIUTL-UHFFFAOYSA-N 1 3 326.509 4.379 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(c3ccccn3)CCC2)CC1 ZINC000552099519 1039158747 /nfs/dbraw/zinc/15/87/47/1039158747.db2.gz LLIRUVLYCGTCOQ-UYAOXDASSA-N 1 3 341.543 4.136 20 0 EIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414833976 1039281773 /nfs/dbraw/zinc/28/17/73/1039281773.db2.gz GBLBUZXNPPQJKV-OXJNMPFZSA-N 1 3 345.531 4.024 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCc2c1cccc2F ZINC000513863839 1039326901 /nfs/dbraw/zinc/32/69/01/1039326901.db2.gz MSJYBGFNYCEWLY-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCc2c1cccc2F ZINC000513863839 1039326924 /nfs/dbraw/zinc/32/69/24/1039326924.db2.gz MSJYBGFNYCEWLY-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000481451047 1039454911 /nfs/dbraw/zinc/45/49/11/1039454911.db2.gz RGIFKJHAOQOJOV-KRWDZBQOSA-N 1 3 335.495 4.416 20 0 EIADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cc(C)ccc1OC ZINC000093371653 1039675618 /nfs/dbraw/zinc/67/56/18/1039675618.db2.gz DCPHHIDSZGTJSH-HXUWFJFHSA-N 1 3 326.484 4.306 20 0 EIADHO CCc1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000481718389 1039773838 /nfs/dbraw/zinc/77/38/38/1039773838.db2.gz AEVPBSOSUSIAEV-QGZVFWFLSA-N 1 3 326.484 4.040 20 0 EIADHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1OC(C)C ZINC000535082370 1039920564 /nfs/dbraw/zinc/92/05/64/1039920564.db2.gz XUTWWTLPARDSJW-UHFFFAOYSA-N 1 3 348.531 4.035 20 0 EIADHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC(C)C ZINC000535082370 1039920585 /nfs/dbraw/zinc/92/05/85/1039920585.db2.gz XUTWWTLPARDSJW-UHFFFAOYSA-N 1 3 348.531 4.035 20 0 EIADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000481962677 1039927006 /nfs/dbraw/zinc/92/70/06/1039927006.db2.gz PXLDXRCXIUKOJG-ZIAGYGMSSA-N 1 3 336.426 4.432 20 0 EIADHO CC(C)=CCC[C@@H](C)CCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000482141710 1040050494 /nfs/dbraw/zinc/05/04/94/1040050494.db2.gz KXFSMXPDTQZBGV-VSKRKVRLSA-N 1 3 349.607 4.249 20 0 EIADHO CC(C)=CCC[C@@H](C)CCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000482141710 1040050513 /nfs/dbraw/zinc/05/05/13/1040050513.db2.gz KXFSMXPDTQZBGV-VSKRKVRLSA-N 1 3 349.607 4.249 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000482323920 1040166295 /nfs/dbraw/zinc/16/62/95/1040166295.db2.gz UJJGFRKNQMULGQ-BTYIYWSLSA-N 1 3 326.459 4.301 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000482323920 1040166321 /nfs/dbraw/zinc/16/63/21/1040166321.db2.gz UJJGFRKNQMULGQ-BTYIYWSLSA-N 1 3 326.459 4.301 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000514812798 1040262269 /nfs/dbraw/zinc/26/22/69/1040262269.db2.gz UEQQHFQKQQGNJF-OBHPCNEJSA-N 1 3 340.433 4.430 20 0 EIADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000514812798 1040262284 /nfs/dbraw/zinc/26/22/84/1040262284.db2.gz UEQQHFQKQQGNJF-OBHPCNEJSA-N 1 3 340.433 4.430 20 0 EIADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482455388 1040264672 /nfs/dbraw/zinc/26/46/72/1040264672.db2.gz YMTMZFLTWBKIGT-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482455388 1040264682 /nfs/dbraw/zinc/26/46/82/1040264682.db2.gz YMTMZFLTWBKIGT-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482455388 1040264697 /nfs/dbraw/zinc/26/46/97/1040264697.db2.gz YMTMZFLTWBKIGT-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO FC(F)(F)c1cccc(CCCC[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000666993939 1040375646 /nfs/dbraw/zinc/37/56/46/1040375646.db2.gz VGKZWZIJALXOTR-KRWDZBQOSA-N 1 3 340.433 4.292 20 0 EIADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995347 1040403507 /nfs/dbraw/zinc/40/35/07/1040403507.db2.gz KPBCCIVWCZSQBF-PBHICJAKSA-N 1 3 340.433 4.291 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479876336 1040738762 /nfs/dbraw/zinc/73/87/62/1040738762.db2.gz SUOZNHMUWQMDEF-ZDUSSCGKSA-N 1 3 349.519 4.496 20 0 EIADHO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089327 1040926724 /nfs/dbraw/zinc/92/67/24/1040926724.db2.gz HFZBJLNIILNJHZ-DZGCQCFKSA-N 1 3 328.472 4.179 20 0 EIADHO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089327 1040926741 /nfs/dbraw/zinc/92/67/41/1040926741.db2.gz HFZBJLNIILNJHZ-DZGCQCFKSA-N 1 3 328.472 4.179 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097057 1041044757 /nfs/dbraw/zinc/04/47/57/1041044757.db2.gz OHMYDKFSQMEMBG-MGPUTAFESA-N 1 3 344.499 4.407 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097057 1041044764 /nfs/dbraw/zinc/04/47/64/1041044764.db2.gz OHMYDKFSQMEMBG-MGPUTAFESA-N 1 3 344.499 4.407 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1 ZINC000436276819 1041048638 /nfs/dbraw/zinc/04/86/38/1041048638.db2.gz VCKFYFADFOOEMJ-UHFFFAOYSA-N 1 3 339.458 4.439 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000538103103 1041059307 /nfs/dbraw/zinc/05/93/07/1041059307.db2.gz UCVDGXKNAXNMFA-REWPJTCUSA-N 1 3 334.507 4.292 20 0 EIADHO COc1cc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)ccc1OC(C)C ZINC000538154818 1041096534 /nfs/dbraw/zinc/09/65/34/1041096534.db2.gz MTNAIKQHBRTUQQ-FUHWJXTLSA-N 1 3 334.504 4.007 20 0 EIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000540083802 1041103820 /nfs/dbraw/zinc/10/38/20/1041103820.db2.gz KBAYEMORCRGJAB-HZPDHXFCSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000540083802 1041103841 /nfs/dbraw/zinc/10/38/41/1041103841.db2.gz KBAYEMORCRGJAB-HZPDHXFCSA-N 1 3 335.561 4.327 20 0 EIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(SCC(F)F)cc1 ZINC000515846162 1041186366 /nfs/dbraw/zinc/18/63/66/1041186366.db2.gz HVIPYWILICWDEB-ZDUSSCGKSA-N 1 3 336.451 4.353 20 0 EIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCC(C)(C)C)c1ccccc1O2 ZINC000538295099 1041246598 /nfs/dbraw/zinc/24/65/98/1041246598.db2.gz YIGOWHYRAUUDSO-SFHVURJKSA-N 1 3 330.516 4.391 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445711 1041305018 /nfs/dbraw/zinc/30/50/18/1041305018.db2.gz OMUYKTOXCRVFEZ-QRWLVFNGSA-N 1 3 328.431 4.048 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445711 1041305036 /nfs/dbraw/zinc/30/50/36/1041305036.db2.gz OMUYKTOXCRVFEZ-QRWLVFNGSA-N 1 3 328.431 4.048 20 0 EIADHO c1c2ccccc2oc1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000463129070 1041351597 /nfs/dbraw/zinc/35/15/97/1041351597.db2.gz ITIVYUVQCHGYOY-UHFFFAOYSA-N 1 3 348.490 4.272 20 0 EIADHO Cc1cccc([C@H]([NH2+]C[C@H]2CCCN(C)C2)c2cccc(F)c2)c1 ZINC000554725211 1041352750 /nfs/dbraw/zinc/35/27/50/1041352750.db2.gz PPYKYJGZXBXLJN-UTKZUKDTSA-N 1 3 326.459 4.155 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000643514088 1041425978 /nfs/dbraw/zinc/42/59/78/1041425978.db2.gz VIONZFNEGGVANK-KKSFZXQISA-N 1 3 346.478 4.059 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000480733989 1041496480 /nfs/dbraw/zinc/49/64/80/1041496480.db2.gz BLHRAZKPJLFGAW-ZACQAIPSSA-N 1 3 338.948 4.427 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480733989 1041496488 /nfs/dbraw/zinc/49/64/88/1041496488.db2.gz BLHRAZKPJLFGAW-ZACQAIPSSA-N 1 3 338.948 4.427 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000480753973 1041509803 /nfs/dbraw/zinc/50/98/03/1041509803.db2.gz COSKOHGXJMVQEU-AVRDEDQJSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000480753973 1041509828 /nfs/dbraw/zinc/50/98/28/1041509828.db2.gz COSKOHGXJMVQEU-AVRDEDQJSA-N 1 3 338.495 4.004 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1)CN(C)C ZINC000425935968 1041981053 /nfs/dbraw/zinc/98/10/53/1041981053.db2.gz KJRPJGDNHSLIEN-OLZOCXBDSA-N 1 3 334.451 4.189 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425940903 1042017462 /nfs/dbraw/zinc/01/74/62/1042017462.db2.gz IMTSLCUOQVCUBP-QWHCGFSZSA-N 1 3 335.492 4.106 20 0 EIADHO Cc1ccc2cc(CNCCC[N@@H+]3CCc4ccccc4C3)ccc2n1 ZINC000438061448 1042034352 /nfs/dbraw/zinc/03/43/52/1042034352.db2.gz AXJOGHVMRLUGAC-UHFFFAOYSA-N 1 3 345.490 4.081 20 0 EIADHO Cc1ccc2cc(CNCCC[N@H+]3CCc4ccccc4C3)ccc2n1 ZINC000438061448 1042034359 /nfs/dbraw/zinc/03/43/59/1042034359.db2.gz AXJOGHVMRLUGAC-UHFFFAOYSA-N 1 3 345.490 4.081 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541603541 1042038711 /nfs/dbraw/zinc/03/87/11/1042038711.db2.gz WICIHGNPRGVDDH-WAOWUJCRSA-N 1 3 326.528 4.034 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000402796797 1042041032 /nfs/dbraw/zinc/04/10/32/1042041032.db2.gz VYJVFJGJJHIOAA-LEUOFYLZSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)CC(F)(F)F ZINC000402796795 1042041074 /nfs/dbraw/zinc/04/10/74/1042041074.db2.gz VYJVFJGJJHIOAA-DZOHQFGASA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)CN(C)C ZINC000425955490 1042078470 /nfs/dbraw/zinc/07/84/70/1042078470.db2.gz ZYPGDKRCFKQRHJ-CZUORRHYSA-N 1 3 347.503 4.114 20 0 EIADHO CCc1cccc(Cl)c1CNCc1ccc(C[NH+](C)C)c(F)c1 ZINC000474004390 1042994070 /nfs/dbraw/zinc/99/40/70/1042994070.db2.gz FZRYICACOZUYNR-UHFFFAOYSA-N 1 3 334.866 4.393 20 0 EIADHO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(CN(C)C)c(F)c1 ZINC000474004390 1042994084 /nfs/dbraw/zinc/99/40/84/1042994084.db2.gz FZRYICACOZUYNR-UHFFFAOYSA-N 1 3 334.866 4.393 20 0 EIADHO COc1ccccc1C[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168006343 1043001199 /nfs/dbraw/zinc/00/11/99/1043001199.db2.gz NIDUDXQMYVTUSJ-ROUUACIJSA-N 1 3 338.495 4.226 20 0 EIADHO Cc1ccnc([C@H](C)[NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)c1 ZINC001168008712 1043077318 /nfs/dbraw/zinc/07/73/18/1043077318.db2.gz FVQUSOPOXFIIHG-QRVBRYPASA-N 1 3 337.511 4.482 20 0 EIADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000166447540 1043085048 /nfs/dbraw/zinc/08/50/48/1043085048.db2.gz WPZSKDNJVNHWPM-MGPQQGTHSA-N 1 3 327.299 4.313 20 0 EIADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1Cl ZINC000166447540 1043085059 /nfs/dbraw/zinc/08/50/59/1043085059.db2.gz WPZSKDNJVNHWPM-MGPQQGTHSA-N 1 3 327.299 4.313 20 0 EIADHO C[C@@H](NCc1cccc(OCC(F)F)c1)c1cccc(C[NH+](C)C)c1 ZINC000925364636 1043185925 /nfs/dbraw/zinc/18/59/25/1043185925.db2.gz PFHDDSQWLRUUAB-OAHLLOKOSA-N 1 3 348.437 4.243 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311138181 1043225264 /nfs/dbraw/zinc/22/52/64/1043225264.db2.gz YESBTBOHVFOTRS-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2[nH]ccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311138181 1043225274 /nfs/dbraw/zinc/22/52/74/1043225274.db2.gz YESBTBOHVFOTRS-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2[nH]ccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311138181 1043225284 /nfs/dbraw/zinc/22/52/84/1043225284.db2.gz YESBTBOHVFOTRS-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249772 1043261921 /nfs/dbraw/zinc/26/19/21/1043261921.db2.gz YVAJOTAPZUHDQC-NWDGAFQWSA-N 1 3 331.287 4.010 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000171128893 1043451873 /nfs/dbraw/zinc/45/18/73/1043451873.db2.gz AOZASJUTIPUEDN-GOSISDBHSA-N 1 3 330.472 4.214 20 0 EIADHO FC(F)(F)c1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000520951582 1043453642 /nfs/dbraw/zinc/45/36/42/1043453642.db2.gz CKSLRXJMNAAVEA-UHFFFAOYSA-N 1 3 348.412 4.243 20 0 EIADHO FC(F)(F)c1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000520951582 1043453648 /nfs/dbraw/zinc/45/36/48/1043453648.db2.gz CKSLRXJMNAAVEA-UHFFFAOYSA-N 1 3 348.412 4.243 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000191019101 1043764144 /nfs/dbraw/zinc/76/41/44/1043764144.db2.gz ZMTOUURPIPFELT-BJLQDIEVSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191019101 1043764171 /nfs/dbraw/zinc/76/41/71/1043764171.db2.gz ZMTOUURPIPFELT-BJLQDIEVSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191019101 1043764197 /nfs/dbraw/zinc/76/41/97/1043764197.db2.gz ZMTOUURPIPFELT-BJLQDIEVSA-N 1 3 334.548 4.111 20 0 EIADHO Cc1c([C@@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cnn1C(C)C ZINC000191325104 1043808487 /nfs/dbraw/zinc/80/84/87/1043808487.db2.gz OOSJFIPDGVCXJN-ZWKOTPCHSA-N 1 3 342.531 4.334 20 0 EIADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2cncc(F)c2)cc1 ZINC000494609064 1043845892 /nfs/dbraw/zinc/84/58/92/1043845892.db2.gz NGNVHSRRFLDSEQ-UHFFFAOYSA-N 1 3 349.453 4.239 20 0 EIADHO CS[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)(C)C ZINC000543412103 1044552830 /nfs/dbraw/zinc/55/28/30/1044552830.db2.gz VQRKGHXMMJSPKU-KBAYOESNSA-N 1 3 326.594 4.397 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494984908 1044570635 /nfs/dbraw/zinc/57/06/35/1044570635.db2.gz HQEDPDXVFVUXNP-FHHGHWCOSA-N 1 3 327.516 4.071 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494984908 1044570640 /nfs/dbraw/zinc/57/06/40/1044570640.db2.gz HQEDPDXVFVUXNP-FHHGHWCOSA-N 1 3 327.516 4.071 20 0 EIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428878594 1044809767 /nfs/dbraw/zinc/80/97/67/1044809767.db2.gz AMMLCHQRAQRDSW-GJZGRUSLSA-N 1 3 349.519 4.283 20 0 EIADHO CC1CC[NH+](CCCCNCc2nc3ccc(F)cc3s2)CC1 ZINC000428879826 1044811236 /nfs/dbraw/zinc/81/12/36/1044811236.db2.gz DRGMPMRNZNZXOW-UHFFFAOYSA-N 1 3 335.492 4.037 20 0 EIADHO CC[NH+]1CCC(N[C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429367100 1045022929 /nfs/dbraw/zinc/02/29/29/1045022929.db2.gz AQXULPYJTBGBDZ-NRFANRHFSA-N 1 3 326.459 4.183 20 0 EIADHO C[C@H](CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000237463091 1045385603 /nfs/dbraw/zinc/38/56/03/1045385603.db2.gz REHDFNYQZCUUTD-IRLDBZIGSA-N 1 3 336.523 4.334 20 0 EIADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc2c(c1)CCCO2 ZINC000768107039 1045718716 /nfs/dbraw/zinc/71/87/16/1045718716.db2.gz LFQFHMYBHGOMCR-OAQYLSRUSA-N 1 3 342.527 4.459 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000768910259 1045858958 /nfs/dbraw/zinc/85/89/58/1045858958.db2.gz DEHZOEZRMDSKLA-UHFFFAOYSA-N 1 3 336.401 4.399 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000037150422 1046012218 /nfs/dbraw/zinc/01/22/18/1046012218.db2.gz NOEMQRQVQCTMLW-AWEZNQCLSA-N 1 3 339.321 4.364 20 0 EIADHO C[NH2+]C[C@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262052730 1046176000 /nfs/dbraw/zinc/17/60/00/1046176000.db2.gz ZVFWEQXMRAYNRA-MRXNPFEDSA-N 1 3 344.449 4.028 20 0 EIADHO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508723244 1046425640 /nfs/dbraw/zinc/42/56/40/1046425640.db2.gz WBJJWFWXQRAXMO-IEBWSBKVSA-N 1 3 338.470 4.315 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@H](C)C1 ZINC000536660003 1046629502 /nfs/dbraw/zinc/62/95/02/1046629502.db2.gz SASDIZZBPCSPCK-WBVHZDCISA-N 1 3 340.458 4.067 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@H](C)C1 ZINC000536660003 1046629506 /nfs/dbraw/zinc/62/95/06/1046629506.db2.gz SASDIZZBPCSPCK-WBVHZDCISA-N 1 3 340.458 4.067 20 0 EIADHO C[C@H](CCCc1cccnc1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000459645830 1046832031 /nfs/dbraw/zinc/83/20/31/1046832031.db2.gz HOZDBUYPELEKMM-WOIUINJBSA-N 1 3 343.559 4.426 20 0 EIADHO CC(C)[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000536961943 1046871147 /nfs/dbraw/zinc/87/11/47/1046871147.db2.gz VMVPKWCRSKGGDB-KXBFYZLASA-N 1 3 345.487 4.085 20 0 EIADHO CC(C)CCC[C@H](C)[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001170079617 1047066572 /nfs/dbraw/zinc/06/65/72/1047066572.db2.gz DYXMDFFDFCIEHM-IBGZPJMESA-N 1 3 346.563 4.065 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)cc1CN1CCCCC1 ZINC000790494932 1047598895 /nfs/dbraw/zinc/59/88/95/1047598895.db2.gz HHQPFBAWSPKIGF-IRXDYDNUSA-N 1 3 348.556 4.085 20 0 EIADHO CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550606178 1047746797 /nfs/dbraw/zinc/74/67/97/1047746797.db2.gz FNEDSKRBVSTLST-RBBKRZOGSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550606178 1047746806 /nfs/dbraw/zinc/74/68/06/1047746806.db2.gz FNEDSKRBVSTLST-RBBKRZOGSA-N 1 3 338.495 4.399 20 0 EIADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000556589891 1047835141 /nfs/dbraw/zinc/83/51/41/1047835141.db2.gz QPMLMMWPJMIJCC-HRQSHJORSA-N 1 3 330.516 4.041 20 0 EIADHO CC1(C)[C@@H]2C[C@@H]([NH2+]CC3CCN(Cc4ccccc4F)CC3)C[C@@H]21 ZINC001170732306 1047877394 /nfs/dbraw/zinc/87/73/94/1047877394.db2.gz YBQVRSMTBDUVNE-LDLYASANSA-N 1 3 330.491 4.062 20 0 EIADHO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000824775078 1047932711 /nfs/dbraw/zinc/93/27/11/1047932711.db2.gz YFVHBNRDGSHPJV-USXIJHARSA-N 1 3 341.326 4.071 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857804 1048074404 /nfs/dbraw/zinc/07/44/04/1048074404.db2.gz HMYRKBIAFRQBKG-SUMWQHHRSA-N 1 3 342.405 4.110 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857804 1048074421 /nfs/dbraw/zinc/07/44/21/1048074421.db2.gz HMYRKBIAFRQBKG-SUMWQHHRSA-N 1 3 342.405 4.110 20 0 EIADHO CCN(Cc1ccc(C(F)(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143807939 1048203106 /nfs/dbraw/zinc/20/31/06/1048203106.db2.gz QXNZAINJQZHLDU-UHFFFAOYSA-N 1 3 334.813 4.275 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815622222 1048548263 /nfs/dbraw/zinc/54/82/63/1048548263.db2.gz PRERQPXJGDLASI-PKOBYXMFSA-N 1 3 326.459 4.307 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815622222 1048548277 /nfs/dbraw/zinc/54/82/77/1048548277.db2.gz PRERQPXJGDLASI-PKOBYXMFSA-N 1 3 326.459 4.307 20 0 EIADHO c1cc2cccc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718329 1048818878 /nfs/dbraw/zinc/81/88/78/1048818878.db2.gz HQZRWDQUAYKAET-RBBKRZOGSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718329 1048818885 /nfs/dbraw/zinc/81/88/85/1048818885.db2.gz HQZRWDQUAYKAET-RBBKRZOGSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718329 1048818887 /nfs/dbraw/zinc/81/88/87/1048818887.db2.gz HQZRWDQUAYKAET-RBBKRZOGSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718329 1048818892 /nfs/dbraw/zinc/81/88/92/1048818892.db2.gz HQZRWDQUAYKAET-RBBKRZOGSA-N 1 3 345.490 4.122 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000237344854 1048927828 /nfs/dbraw/zinc/92/78/28/1048927828.db2.gz WPLBOJYJHBQVJJ-PMACEKPBSA-N 1 3 338.495 4.325 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cccc3cc[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000237482817 1048952512 /nfs/dbraw/zinc/95/25/12/1048952512.db2.gz JOSAJMPZFNWJTB-UTKZUKDTSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cccc3cc[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000237482817 1048952530 /nfs/dbraw/zinc/95/25/30/1048952530.db2.gz JOSAJMPZFNWJTB-UTKZUKDTSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@H](NCc2cccc3cc[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000237716795 1048979417 /nfs/dbraw/zinc/97/94/17/1048979417.db2.gz JOSAJMPZFNWJTB-LAUBAEHRSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@H](NCc2cccc3cc[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000237716795 1048979427 /nfs/dbraw/zinc/97/94/27/1048979427.db2.gz JOSAJMPZFNWJTB-LAUBAEHRSA-N 1 3 333.479 4.311 20 0 EIADHO CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc(Cl)ccc1OC ZINC000817949931 1049063322 /nfs/dbraw/zinc/06/33/22/1049063322.db2.gz ULGPVYFNQPVYOA-GOSISDBHSA-N 1 3 332.875 4.091 20 0 EIADHO [NH3+]CCc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000817947951 1049065123 /nfs/dbraw/zinc/06/51/23/1049065123.db2.gz GVEPRADIISGDHP-QGZVFWFLSA-N 1 3 332.900 4.168 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000817963152 1049069155 /nfs/dbraw/zinc/06/91/55/1049069155.db2.gz ORRGITQTQWGEDJ-MNOVXSKESA-N 1 3 338.282 4.446 20 0 EIADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000817961136 1049069501 /nfs/dbraw/zinc/06/95/01/1049069501.db2.gz UTADKXXEELJCAZ-YOLZPYMBSA-N 1 3 344.543 4.047 20 0 EIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811474204 1049094274 /nfs/dbraw/zinc/09/42/74/1049094274.db2.gz FJOIUHUBXYAABB-KBPBESRZSA-N 1 3 344.330 4.236 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001170677634 1049466686 /nfs/dbraw/zinc/46/66/86/1049466686.db2.gz QUWLADJSYQXHDA-LJQANCHMSA-N 1 3 348.481 4.066 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001170677634 1049466707 /nfs/dbraw/zinc/46/67/07/1049466707.db2.gz QUWLADJSYQXHDA-LJQANCHMSA-N 1 3 348.481 4.066 20 0 EIADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001170688105 1049606394 /nfs/dbraw/zinc/60/63/94/1049606394.db2.gz SPGUXZHMEHQSMM-QFBILLFUSA-N 1 3 346.478 4.026 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@H](C)C1 ZINC000081096712 1049624420 /nfs/dbraw/zinc/62/44/20/1049624420.db2.gz FJRCTWKZTARRIK-KDOFPFPSSA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc3cccnc32)[C@H](C)C1 ZINC000081096712 1049624427 /nfs/dbraw/zinc/62/44/27/1049624427.db2.gz FJRCTWKZTARRIK-KDOFPFPSSA-N 1 3 331.891 4.050 20 0 EIADHO Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001171419779 1049656619 /nfs/dbraw/zinc/65/66/19/1049656619.db2.gz UWLNMZPOMAETSC-YLJYHZDGSA-N 1 3 342.502 4.093 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171439397 1049690801 /nfs/dbraw/zinc/69/08/01/1049690801.db2.gz YKEDZPQBCRVPBI-OTWHNJEPSA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171439397 1049690808 /nfs/dbraw/zinc/69/08/08/1049690808.db2.gz YKEDZPQBCRVPBI-OTWHNJEPSA-N 1 3 330.491 4.022 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)CC1(C)C ZINC001171462900 1049714286 /nfs/dbraw/zinc/71/42/86/1049714286.db2.gz LHLQYDJLPNWRJW-HNNXBMFYSA-N 1 3 336.470 4.063 20 0 EIADHO Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171559328 1049755078 /nfs/dbraw/zinc/75/50/78/1049755078.db2.gz DPKHLDVJEPUROZ-OAQYLSRUSA-N 1 3 326.528 4.097 20 0 EIADHO COc1ccccc1[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171628586 1049762360 /nfs/dbraw/zinc/76/23/60/1049762360.db2.gz BYCHIOWWIQFDHD-INIZCTEOSA-N 1 3 330.516 4.136 20 0 EIADHO COc1ccccc1[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171628586 1049762366 /nfs/dbraw/zinc/76/23/66/1049762366.db2.gz BYCHIOWWIQFDHD-INIZCTEOSA-N 1 3 330.516 4.136 20 0 EIADHO C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC001171624499 1049768260 /nfs/dbraw/zinc/76/82/60/1049768260.db2.gz UIMTWDBCYZWYOL-SUMWQHHRSA-N 1 3 338.923 4.003 20 0 EIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000245535848 1049769437 /nfs/dbraw/zinc/76/94/37/1049769437.db2.gz KSBHPZQJGDIKMT-HZPDHXFCSA-N 1 3 335.561 4.185 20 0 EIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000245535848 1049769441 /nfs/dbraw/zinc/76/94/41/1049769441.db2.gz KSBHPZQJGDIKMT-HZPDHXFCSA-N 1 3 335.561 4.185 20 0 EIADHO CC1(C)C[C@@H](NCC2(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984155 1049840765 /nfs/dbraw/zinc/84/07/65/1049840765.db2.gz SFWFKTBEGDFXMN-FQEVSTJZSA-N 1 3 349.522 4.146 20 0 EIADHO CC1(C)C[C@@H](NCC2(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984155 1049840767 /nfs/dbraw/zinc/84/07/67/1049840767.db2.gz SFWFKTBEGDFXMN-FQEVSTJZSA-N 1 3 349.522 4.146 20 0 EIADHO CN(C[C@H]1CCCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076439 1049845263 /nfs/dbraw/zinc/84/52/63/1049845263.db2.gz YOKNTWVFPLFCQJ-CIAFKFPVSA-N 1 3 342.527 4.073 20 0 EIADHO CN(C[C@H]1CCCCO1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076439 1049845266 /nfs/dbraw/zinc/84/52/66/1049845266.db2.gz YOKNTWVFPLFCQJ-CIAFKFPVSA-N 1 3 342.527 4.073 20 0 EIADHO Cc1ncccc1C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172088737 1049849137 /nfs/dbraw/zinc/84/91/37/1049849137.db2.gz NYTZLHLMXSEADC-NUNAXRQHSA-N 1 3 349.522 4.408 20 0 EIADHO Cc1ncccc1C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172088737 1049849140 /nfs/dbraw/zinc/84/91/40/1049849140.db2.gz NYTZLHLMXSEADC-NUNAXRQHSA-N 1 3 349.522 4.408 20 0 EIADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001172062339 1049850267 /nfs/dbraw/zinc/85/02/67/1049850267.db2.gz NELUWNOIFSTXJW-WLRLJWMZSA-N 1 3 335.495 4.318 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001172121641 1049858850 /nfs/dbraw/zinc/85/88/50/1049858850.db2.gz ROUCWBGNYKKMNB-KOUNCHBCSA-N 1 3 335.495 4.099 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001172121641 1049858853 /nfs/dbraw/zinc/85/88/53/1049858853.db2.gz ROUCWBGNYKKMNB-KOUNCHBCSA-N 1 3 335.495 4.099 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001172121642 1049859232 /nfs/dbraw/zinc/85/92/32/1049859232.db2.gz ROUCWBGNYKKMNB-ZBYYUNFXSA-N 1 3 335.495 4.099 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001172121642 1049859233 /nfs/dbraw/zinc/85/92/33/1049859233.db2.gz ROUCWBGNYKKMNB-ZBYYUNFXSA-N 1 3 335.495 4.099 20 0 EIADHO c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)CS2 ZINC001172203692 1049863282 /nfs/dbraw/zinc/86/32/82/1049863282.db2.gz VDCHGTQUHDFXGG-MOPGFXCFSA-N 1 3 330.541 4.044 20 0 EIADHO c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)CS2 ZINC001172203692 1049863285 /nfs/dbraw/zinc/86/32/85/1049863285.db2.gz VDCHGTQUHDFXGG-MOPGFXCFSA-N 1 3 330.541 4.044 20 0 EIADHO Clc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171022024 1049863474 /nfs/dbraw/zinc/86/34/74/1049863474.db2.gz ISDIAFSEPZERBA-KRWDZBQOSA-N 1 3 332.919 4.194 20 0 EIADHO NC1(Cc2cccnc2)CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172541829 1049944370 /nfs/dbraw/zinc/94/43/70/1049944370.db2.gz BXDWOHJGLASCHU-FGZHOGPDSA-N 1 3 349.522 4.144 20 0 EIADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001172578985 1049951917 /nfs/dbraw/zinc/95/19/17/1049951917.db2.gz TYZPFXSKYOZBLH-BPLDGKMQSA-N 1 3 344.877 4.402 20 0 EIADHO CC1(C)CC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC(C)(C)O1 ZINC001172654519 1049957082 /nfs/dbraw/zinc/95/70/82/1049957082.db2.gz FGXYRJANJSIAIT-QGZVFWFLSA-N 1 3 334.548 4.133 20 0 EIADHO C[C@@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cncc(F)c1 ZINC000247231025 1050017279 /nfs/dbraw/zinc/01/72/79/1050017279.db2.gz WYOBNXHURKUDDL-WOYCLPQFSA-N 1 3 341.474 4.028 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(CC)s2)[C@H](C)C1 ZINC000248174433 1050045903 /nfs/dbraw/zinc/04/59/03/1050045903.db2.gz VJBVKJMUFCTYPB-NUJGCVRESA-N 1 3 338.561 4.098 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(CC)s2)[C@H](C)C1 ZINC000248174433 1050045907 /nfs/dbraw/zinc/04/59/07/1050045907.db2.gz VJBVKJMUFCTYPB-NUJGCVRESA-N 1 3 338.561 4.098 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000248172602 1050045987 /nfs/dbraw/zinc/04/59/87/1050045987.db2.gz VBBIDKDMYNBDSN-WBVHZDCISA-N 1 3 341.524 4.119 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000248172602 1050045997 /nfs/dbraw/zinc/04/59/97/1050045997.db2.gz VBBIDKDMYNBDSN-WBVHZDCISA-N 1 3 341.524 4.119 20 0 EIADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000248728252 1050075147 /nfs/dbraw/zinc/07/51/47/1050075147.db2.gz VFIVEOUOCMHTAC-IRXDYDNUSA-N 1 3 340.433 4.199 20 0 EIADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000248728252 1050075152 /nfs/dbraw/zinc/07/51/52/1050075152.db2.gz VFIVEOUOCMHTAC-IRXDYDNUSA-N 1 3 340.433 4.199 20 0 EIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(O)c1 ZINC000249380541 1050096681 /nfs/dbraw/zinc/09/66/81/1050096681.db2.gz BECWMRSHCLBGMU-ZWKOTPCHSA-N 1 3 338.495 4.475 20 0 EIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(O)c1 ZINC000249380541 1050096688 /nfs/dbraw/zinc/09/66/88/1050096688.db2.gz BECWMRSHCLBGMU-ZWKOTPCHSA-N 1 3 338.495 4.475 20 0 EIADHO CCCN1C[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@H]2C1 ZINC001172825533 1050166841 /nfs/dbraw/zinc/16/68/41/1050166841.db2.gz WXAKQMCGQOLUEA-PWAJEDTMSA-N 1 3 326.528 4.062 20 0 EIADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC001177668979 1050273460 /nfs/dbraw/zinc/27/34/60/1050273460.db2.gz LXOWZNGBARDTCF-IBGZPJMESA-N 1 3 342.552 4.355 20 0 EIADHO CC[NH+](CC)C1CCC(n2c(-c3ccccc3)cnc2[C@H](C)N)CC1 ZINC001173107643 1050307245 /nfs/dbraw/zinc/30/72/45/1050307245.db2.gz HNFJTKMQOUEKCE-IVMQYODDSA-N 1 3 340.515 4.395 20 0 EIADHO CC[NH+](CC)C1CCC(N2CCO[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173114343 1050310168 /nfs/dbraw/zinc/31/01/68/1050310168.db2.gz HGZKEXMBNSFIHV-LZBANZJXSA-N 1 3 344.543 4.195 20 0 EIADHO CCSC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001173306090 1050404345 /nfs/dbraw/zinc/40/43/45/1050404345.db2.gz LLOWNZHHAGHMCY-KNTRFNDTSA-N 1 3 332.557 4.239 20 0 EIADHO CCSC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001173306090 1050404350 /nfs/dbraw/zinc/40/43/50/1050404350.db2.gz LLOWNZHHAGHMCY-KNTRFNDTSA-N 1 3 332.557 4.239 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001178284843 1050428553 /nfs/dbraw/zinc/42/85/53/1050428553.db2.gz CTZVDLJPZFNAEF-YTFSRNRJSA-N 1 3 334.507 4.385 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001178284843 1050428555 /nfs/dbraw/zinc/42/85/55/1050428555.db2.gz CTZVDLJPZFNAEF-YTFSRNRJSA-N 1 3 334.507 4.385 20 0 EIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000253355504 1050455346 /nfs/dbraw/zinc/45/53/46/1050455346.db2.gz HNOFEUCVUDALQA-UGKGYDQZSA-N 1 3 335.495 4.045 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000253355504 1050455354 /nfs/dbraw/zinc/45/53/54/1050455354.db2.gz HNOFEUCVUDALQA-UGKGYDQZSA-N 1 3 335.495 4.045 20 0 EIADHO c1ccc2c(c1)CCC21CCC([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001173686650 1050538562 /nfs/dbraw/zinc/53/85/62/1050538562.db2.gz VGEHYWCPOSWZLR-UHFFFAOYSA-N 1 3 347.506 4.030 20 0 EIADHO c1ccc2c(c1)CCC21CCC(N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001173686650 1050538579 /nfs/dbraw/zinc/53/85/79/1050538579.db2.gz VGEHYWCPOSWZLR-UHFFFAOYSA-N 1 3 347.506 4.030 20 0 EIADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC001178882270 1050577242 /nfs/dbraw/zinc/57/72/42/1050577242.db2.gz VDSPYRLOFICQEI-GOSISDBHSA-N 1 3 331.548 4.133 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccccc2N(C)C)c1 ZINC000093943469 1050724355 /nfs/dbraw/zinc/72/43/55/1050724355.db2.gz HTUKOQPYQCKDGL-SFHVURJKSA-N 1 3 339.527 4.444 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccccc2N(C)C)c1 ZINC000093943469 1050724369 /nfs/dbraw/zinc/72/43/69/1050724369.db2.gz HTUKOQPYQCKDGL-SFHVURJKSA-N 1 3 339.527 4.444 20 0 EIADHO C[C@H](C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)N1CCCC1 ZINC001180586673 1051044887 /nfs/dbraw/zinc/04/48/87/1051044887.db2.gz UBNQVICVJOBINU-OAHLLOKOSA-N 1 3 328.481 4.056 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCSC2)ccc1OC ZINC000775397549 1051219752 /nfs/dbraw/zinc/21/97/52/1051219752.db2.gz WDDAHFHITGUISV-YJBOKZPZSA-N 1 3 336.545 4.083 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000163230581 1051291308 /nfs/dbraw/zinc/29/13/08/1051291308.db2.gz CWXYCSHDNGMBCU-DZGCQCFKSA-N 1 3 347.503 4.250 20 0 EIADHO [NH3+]CCC1CCN(Cc2ccc3ccccc3c2Br)CC1 ZINC001206500703 1051501224 /nfs/dbraw/zinc/50/12/24/1051501224.db2.gz PWMIETIYZLBPRQ-UHFFFAOYSA-N 1 3 347.300 4.163 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158142511 1051720094 /nfs/dbraw/zinc/72/00/94/1051720094.db2.gz BJFQOAQJUJBIEY-ZWKOTPCHSA-N 1 3 338.495 4.355 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158142511 1051720107 /nfs/dbraw/zinc/72/01/07/1051720107.db2.gz BJFQOAQJUJBIEY-ZWKOTPCHSA-N 1 3 338.495 4.355 20 0 EIADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc2cc[nH]c2c1 ZINC001193091735 1051875117 /nfs/dbraw/zinc/87/51/17/1051875117.db2.gz BHDIIDPAQQWFPA-QZTJIDSGSA-N 1 3 347.506 4.414 20 0 EIADHO CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCC1 ZINC000716731041 1051980446 /nfs/dbraw/zinc/98/04/46/1051980446.db2.gz JFDWZDGUZJSWDB-TYPHKJRUSA-N 1 3 326.528 4.455 20 0 EIADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(C)n1 ZINC001194270454 1052123365 /nfs/dbraw/zinc/12/33/65/1052123365.db2.gz XAJMMXKIDCGJKQ-HSZRJFAPSA-N 1 3 349.522 4.105 20 0 EIADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(C)n1 ZINC001194270454 1052123370 /nfs/dbraw/zinc/12/33/70/1052123370.db2.gz XAJMMXKIDCGJKQ-HSZRJFAPSA-N 1 3 349.522 4.105 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(OC(F)F)c1 ZINC000171129196 1052396925 /nfs/dbraw/zinc/39/69/25/1052396925.db2.gz OKXVVZURGCCIEP-CQSZACIVSA-N 1 3 334.410 4.200 20 0 EIADHO CCCOc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171133256 1052397806 /nfs/dbraw/zinc/39/78/06/1052397806.db2.gz LYUBHMNPYYJZSX-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623358199 1052630835 /nfs/dbraw/zinc/63/08/35/1052630835.db2.gz SSWQEXIIXIDHIE-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cccc2n[nH]cc21 ZINC000623358199 1052630838 /nfs/dbraw/zinc/63/08/38/1052630838.db2.gz SSWQEXIIXIDHIE-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO Cc1csc([C@@H](C)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000623873261 1052827325 /nfs/dbraw/zinc/82/73/25/1052827325.db2.gz BWSPQSFBRHRILB-MRXNPFEDSA-N 1 3 329.513 4.014 20 0 EIADHO Fc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000380899468 1053047112 /nfs/dbraw/zinc/04/71/12/1053047112.db2.gz FIQRJAWLZHIJBK-KRWDZBQOSA-N 1 3 332.850 4.091 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000765357281 1053513600 /nfs/dbraw/zinc/51/36/00/1053513600.db2.gz ACXMRAWSHHYMOH-UHFFFAOYSA-N 1 3 329.315 4.388 20 0 EIADHO CC(C)(C)[NH+]1CCC(NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000765357281 1053513618 /nfs/dbraw/zinc/51/36/18/1053513618.db2.gz ACXMRAWSHHYMOH-UHFFFAOYSA-N 1 3 329.315 4.388 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866260912 1053666908 /nfs/dbraw/zinc/66/69/08/1053666908.db2.gz PHORDZFIMHHLHA-RBUKOAKNSA-N 1 3 339.527 4.266 20 0 EIADHO CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000386416508 1053713031 /nfs/dbraw/zinc/71/30/31/1053713031.db2.gz YTOLFOWGZUAATJ-GHTZIAJQSA-N 1 3 338.495 4.086 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856558419 1054085721 /nfs/dbraw/zinc/08/57/21/1054085721.db2.gz IGNGOVBHKKLAIH-FXAWDEMLSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856558419 1054085730 /nfs/dbraw/zinc/08/57/30/1054085730.db2.gz IGNGOVBHKKLAIH-FXAWDEMLSA-N 1 3 347.547 4.057 20 0 EIADHO CCCN(Cc1cncc(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198632696 1054213763 /nfs/dbraw/zinc/21/37/63/1054213763.db2.gz JDOJTCQKZHBHPR-UHFFFAOYSA-N 1 3 337.511 4.267 20 0 EIADHO [NH3+][C@H](C[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1)C1CCCC1 ZINC000873232526 1054509991 /nfs/dbraw/zinc/50/99/91/1054509991.db2.gz SDZZWXWQRPDLKB-KBXCAEBGSA-N 1 3 333.545 4.140 20 0 EIADHO Cc1c(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242771 1055035225 /nfs/dbraw/zinc/03/52/25/1055035225.db2.gz QIQGWKGLTQQKKL-UZLBHIALSA-N 1 3 341.474 4.014 20 0 EIADHO Cc1c(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccnc1F ZINC000862242771 1055035238 /nfs/dbraw/zinc/03/52/38/1055035238.db2.gz QIQGWKGLTQQKKL-UZLBHIALSA-N 1 3 341.474 4.014 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202328548 1055142668 /nfs/dbraw/zinc/14/26/68/1055142668.db2.gz HNJRBGOQNWHGLN-CWRNSKLLSA-N 1 3 346.462 4.233 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]21 ZINC001202328548 1055142674 /nfs/dbraw/zinc/14/26/74/1055142674.db2.gz HNJRBGOQNWHGLN-CWRNSKLLSA-N 1 3 346.462 4.233 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000863548090 1055226630 /nfs/dbraw/zinc/22/66/30/1055226630.db2.gz USDQNPYWSMIJRP-IXDOHACOSA-N 1 3 333.426 4.047 20 0 EIADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000127281611 1055376541 /nfs/dbraw/zinc/37/65/41/1055376541.db2.gz RKBZECUIZPKJOW-HXUWFJFHSA-N 1 3 334.548 4.113 20 0 EIADHO S=c1ccn(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)c2ccccc12 ZINC000742169646 1058530712 /nfs/dbraw/zinc/53/07/12/1058530712.db2.gz FHXFYZAWNQJYBT-QGZVFWFLSA-N 1 3 341.524 4.136 20 0 EIADHO S=c1ccn(C[N@H+]2CC[C@H](CN3CCCCC3)C2)c2ccccc12 ZINC000742169646 1058530727 /nfs/dbraw/zinc/53/07/27/1058530727.db2.gz FHXFYZAWNQJYBT-QGZVFWFLSA-N 1 3 341.524 4.136 20 0 EIADHO C[C@H](c1cccc(Br)c1)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169162480 1060674228 /nfs/dbraw/zinc/67/42/28/1060674228.db2.gz TZKBJVHQKJIXTQ-VDNDLQMASA-N 1 3 337.305 4.067 20 0 EIADHO C[C@H](c1cccc(Br)c1)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169162480 1060674232 /nfs/dbraw/zinc/67/42/32/1060674232.db2.gz TZKBJVHQKJIXTQ-VDNDLQMASA-N 1 3 337.305 4.067 20 0 EIADHO C[C@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206011911 1060841648 /nfs/dbraw/zinc/84/16/48/1060841648.db2.gz HANOUXUPGYBENU-WCQYABFASA-N 1 3 334.813 4.166 20 0 EIADHO C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CCC[C@@H]1C[NH3+] ZINC001206011910 1060842609 /nfs/dbraw/zinc/84/26/09/1060842609.db2.gz HANOUXUPGYBENU-DGCLKSJQSA-N 1 3 334.813 4.166 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225075 1032103249 /nfs/dbraw/zinc/10/32/49/1032103249.db2.gz KFTFQOYVURGCFD-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225075 1032103256 /nfs/dbraw/zinc/10/32/56/1032103256.db2.gz KFTFQOYVURGCFD-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529575083 1032455462 /nfs/dbraw/zinc/45/54/62/1032455462.db2.gz PTTVBMCICXBFGK-FUHWJXTLSA-N 1 3 336.470 4.312 20 0 EIADHO Cc1cnc([C@H](C)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000274752187 1019188829 /nfs/dbraw/zinc/18/88/29/1019188829.db2.gz HTZQEHKJOKIWON-SZVBFZGTSA-N 1 3 343.540 4.055 20 0 EIADHO CCN(Cc1ccccc1)c1ccc(CN[C@H](C)CC[NH+](C)C)cc1 ZINC000065981538 1019375105 /nfs/dbraw/zinc/37/51/05/1019375105.db2.gz UBKDNEVHYOZVRQ-LJQANCHMSA-N 1 3 339.527 4.143 20 0 EIADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1Cl ZINC000123627830 1020239038 /nfs/dbraw/zinc/23/90/38/1020239038.db2.gz JHBWCTCOICQSRE-CQSZACIVSA-N 1 3 332.875 4.261 20 0 EIADHO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)sc1Br ZINC000510199093 1020433483 /nfs/dbraw/zinc/43/34/83/1020433483.db2.gz LSSVAMJMCXMVMR-LLVKDONJSA-N 1 3 333.339 4.057 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000340471392 1021078792 /nfs/dbraw/zinc/07/87/92/1021078792.db2.gz WJIZFGCZRKDVEF-OAQYLSRUSA-N 1 3 338.495 4.401 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690498 1021098598 /nfs/dbraw/zinc/09/85/98/1021098598.db2.gz LXCNRXJQOCVLDR-NFBKMPQASA-N 1 3 349.522 4.435 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690498 1021098602 /nfs/dbraw/zinc/09/86/02/1021098602.db2.gz LXCNRXJQOCVLDR-NFBKMPQASA-N 1 3 349.522 4.435 20 0 EIADHO C[C@H]1CCC[N@H+](CCCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225600 1021779483 /nfs/dbraw/zinc/77/94/83/1021779483.db2.gz UTMDEGDQYQEHMI-PKOBYXMFSA-N 1 3 332.536 4.133 20 0 EIADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225600 1021779500 /nfs/dbraw/zinc/77/95/00/1021779500.db2.gz UTMDEGDQYQEHMI-PKOBYXMFSA-N 1 3 332.536 4.133 20 0 EIADHO COc1cccc(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000089622953 1022219579 /nfs/dbraw/zinc/21/95/79/1022219579.db2.gz AXMAWBOUPUCTCF-KRWDZBQOSA-N 1 3 330.516 4.013 20 0 EIADHO COc1cccc([C@H](C)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310858206 1022523204 /nfs/dbraw/zinc/52/32/04/1022523204.db2.gz BYMOXHZFKZYYNU-PGRDOPGGSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310858206 1022523218 /nfs/dbraw/zinc/52/32/18/1022523218.db2.gz BYMOXHZFKZYYNU-PGRDOPGGSA-N 1 3 338.495 4.258 20 0 EIADHO c1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000647542745 1022779466 /nfs/dbraw/zinc/77/94/66/1022779466.db2.gz BJFDCXQURDSEQC-MSOLQXFVSA-N 1 3 341.524 4.022 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336427 1023295494 /nfs/dbraw/zinc/29/54/94/1023295494.db2.gz BJYGGLMQZQMTDZ-PKOBYXMFSA-N 1 3 326.459 4.389 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336427 1023295510 /nfs/dbraw/zinc/29/55/10/1023295510.db2.gz BJYGGLMQZQMTDZ-PKOBYXMFSA-N 1 3 326.459 4.389 20 0 EIADHO COc1cccc(SCCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000660257462 1023395878 /nfs/dbraw/zinc/39/58/78/1023395878.db2.gz TZZSCRKNKKBFNG-DLBZAZTESA-N 1 3 348.556 4.030 20 0 EIADHO COc1cccc(SCCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000660257462 1023395886 /nfs/dbraw/zinc/39/58/86/1023395886.db2.gz TZZSCRKNKKBFNG-DLBZAZTESA-N 1 3 348.556 4.030 20 0 EIADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000310714684 1023427048 /nfs/dbraw/zinc/42/70/48/1023427048.db2.gz VKIBXSTUSBWXDC-IBGZPJMESA-N 1 3 348.494 4.045 20 0 EIADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000310714684 1023427060 /nfs/dbraw/zinc/42/70/60/1023427060.db2.gz VKIBXSTUSBWXDC-IBGZPJMESA-N 1 3 348.494 4.045 20 0 EIADHO Clc1cccc2c1CC[C@@H]2N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083350 1023432819 /nfs/dbraw/zinc/43/28/19/1023432819.db2.gz NCWXBOMBWCRSTK-XPGWFJOJSA-N 1 3 326.871 4.410 20 0 EIADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2CCC2CCCCC2)CC1 ZINC000500068989 1023482231 /nfs/dbraw/zinc/48/22/31/1023482231.db2.gz FEDLVAWSJJUKSV-JOCHJYFZSA-N 1 3 349.607 4.227 20 0 EIADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2CCC2CCCCC2)CC1 ZINC000500068989 1023482237 /nfs/dbraw/zinc/48/22/37/1023482237.db2.gz FEDLVAWSJJUKSV-JOCHJYFZSA-N 1 3 349.607 4.227 20 0 EIADHO FC(F)Oc1ccc2ccccc2c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430907748 1024208242 /nfs/dbraw/zinc/20/82/42/1024208242.db2.gz FYMNBRTZWAYOEC-UHFFFAOYSA-N 1 3 346.421 4.017 20 0 EIADHO CC[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1OC(F)F ZINC000662284475 1025034638 /nfs/dbraw/zinc/03/46/38/1025034638.db2.gz YUHUWIMOEBRODC-GOSISDBHSA-N 1 3 346.421 4.175 20 0 EIADHO Clc1ccc(C2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663466140 1025392290 /nfs/dbraw/zinc/39/22/90/1025392290.db2.gz ONUZGLPLPFHTCF-PPDQVPDSSA-N 1 3 332.919 4.298 20 0 EIADHO Clc1ccc(C2CC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663466141 1025393013 /nfs/dbraw/zinc/39/30/13/1025393013.db2.gz ONUZGLPLPFHTCF-VQSBYGRUSA-N 1 3 332.919 4.298 20 0 EIADHO C[C@H](CCCC[NH3+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000415006891 1025486730 /nfs/dbraw/zinc/48/67/30/1025486730.db2.gz AQOCIQHWVKGXGN-NVXWUHKLSA-N 1 3 343.540 4.023 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001167836177 1025844586 /nfs/dbraw/zinc/84/45/86/1025844586.db2.gz WZDWTUVAPSXSAM-BZSNNMDCSA-N 1 3 349.950 4.113 20 0 EIADHO C[C@H](C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000415012431 1025847125 /nfs/dbraw/zinc/84/71/25/1025847125.db2.gz XEDPCEAYMDKVOH-FYINFDKHSA-N 1 3 344.449 4.051 20 0 EIADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(C)C)CC1)CCCS2 ZINC000187743996 1025889377 /nfs/dbraw/zinc/88/93/77/1025889377.db2.gz MIBQCKKCVYCALX-LJQANCHMSA-N 1 3 348.556 4.332 20 0 EIADHO Fc1ccccc1[C@@H](F)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000511066130 1026079572 /nfs/dbraw/zinc/07/95/72/1026079572.db2.gz QMHPCFAQKSQRET-FQEVSTJZSA-N 1 3 336.470 4.424 20 0 EIADHO FC(F)(F)CCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512287909 1026654902 /nfs/dbraw/zinc/65/49/02/1026654902.db2.gz WNCTWFYKKOUFTO-GOSISDBHSA-N 1 3 340.433 4.317 20 0 EIADHO FC(F)(F)CCCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512287909 1026654910 /nfs/dbraw/zinc/65/49/10/1026654910.db2.gz WNCTWFYKKOUFTO-GOSISDBHSA-N 1 3 340.433 4.317 20 0 EIADHO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000507447445 1026797299 /nfs/dbraw/zinc/79/72/99/1026797299.db2.gz HUIWZBCSJJATQT-BBTUJRGHSA-N 1 3 337.511 4.205 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000507507623 1026820768 /nfs/dbraw/zinc/82/07/68/1026820768.db2.gz IOOLLBJQJRQTIL-FCGDIQPGSA-N 1 3 334.454 4.065 20 0 EIADHO c1ccc(CSCCNC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000430767325 1027194233 /nfs/dbraw/zinc/19/42/33/1027194233.db2.gz VZXKPJGDNPARQM-UHFFFAOYSA-N 1 3 332.557 4.164 20 0 EIADHO c1ccc(CSCC[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000430767325 1027194246 /nfs/dbraw/zinc/19/42/46/1027194246.db2.gz VZXKPJGDNPARQM-UHFFFAOYSA-N 1 3 332.557 4.164 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)CN1CCCC1 ZINC000474600110 1027287698 /nfs/dbraw/zinc/28/76/98/1027287698.db2.gz UIQPZCKZDSNJLO-CBBWQLFWSA-N 1 3 326.937 4.215 20 0 EIADHO C[C@H](c1ccc(Br)cc1)[N@H+](C)CC[C@H]1CCCCN1C ZINC000441359834 1027476007 /nfs/dbraw/zinc/47/60/07/1027476007.db2.gz RWPBRPUJYBBBSC-RHSMWYFYSA-N 1 3 339.321 4.316 20 0 EIADHO C[C@H](c1ccc(Br)cc1)[N@@H+](C)CC[C@H]1CCCCN1C ZINC000441359834 1027476017 /nfs/dbraw/zinc/47/60/17/1027476017.db2.gz RWPBRPUJYBBBSC-RHSMWYFYSA-N 1 3 339.321 4.316 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441399025 1027521086 /nfs/dbraw/zinc/52/10/86/1027521086.db2.gz UEJKRHDGQKEZTK-CTNGQTDRSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1ccc(C)c(OCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441399025 1027521103 /nfs/dbraw/zinc/52/11/03/1027521103.db2.gz UEJKRHDGQKEZTK-CTNGQTDRSA-N 1 3 342.527 4.021 20 0 EIADHO c1ccc(C[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995501 1027777184 /nfs/dbraw/zinc/77/71/84/1027777184.db2.gz HTIJQYCABLVOIZ-SSWODZADSA-N 1 3 338.539 4.347 20 0 EIADHO c1ccc(C[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167995501 1027777204 /nfs/dbraw/zinc/77/72/04/1027777204.db2.gz HTIJQYCABLVOIZ-SSWODZADSA-N 1 3 338.539 4.347 20 0 EIADHO CCCCc1oc2ccccc2c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000324148540 1028162575 /nfs/dbraw/zinc/16/25/75/1028162575.db2.gz AXPCNKZXIZKNJI-MRXNPFEDSA-N 1 3 326.484 4.349 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000346870252 1028802954 /nfs/dbraw/zinc/80/29/54/1028802954.db2.gz LSLLFWLRJBCPSN-MSOLQXFVSA-N 1 3 340.515 4.096 20 0 EIADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)C1 ZINC000343256723 1028817553 /nfs/dbraw/zinc/81/75/53/1028817553.db2.gz PWRGNGYWJCTPRT-SUNYJGFJSA-N 1 3 329.513 4.109 20 0 EIADHO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)C1 ZINC000343256723 1028817557 /nfs/dbraw/zinc/81/75/57/1028817557.db2.gz PWRGNGYWJCTPRT-SUNYJGFJSA-N 1 3 329.513 4.109 20 0 EIADHO Fc1ccc(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001279144785 1029033408 /nfs/dbraw/zinc/03/34/08/1029033408.db2.gz PLZLXRVETHUGMW-UHFFFAOYSA-N 1 3 341.474 4.032 20 0 EIADHO Fc1ccc(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001279144785 1029033418 /nfs/dbraw/zinc/03/34/18/1029033418.db2.gz PLZLXRVETHUGMW-UHFFFAOYSA-N 1 3 341.474 4.032 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCSc2c(Cl)cccc21 ZINC000650758599 1029216430 /nfs/dbraw/zinc/21/64/30/1029216430.db2.gz SVWHSICKBKWTDW-KRWDZBQOSA-N 1 3 332.900 4.386 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000650758094 1029219120 /nfs/dbraw/zinc/21/91/20/1029219120.db2.gz ITFQKIQYJNWFDV-HNNXBMFYSA-N 1 3 338.451 4.320 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1)CC1CC1 ZINC000536141294 1029255308 /nfs/dbraw/zinc/25/53/08/1029255308.db2.gz QLQMRTRIJIIIPR-UHFFFAOYSA-N 1 3 346.563 4.041 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1)CC1CC1 ZINC000536141294 1029255328 /nfs/dbraw/zinc/25/53/28/1029255328.db2.gz QLQMRTRIJIIIPR-UHFFFAOYSA-N 1 3 346.563 4.041 20 0 EIADHO FC(F)(F)c1cccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000091284506 1029882190 /nfs/dbraw/zinc/88/21/90/1029882190.db2.gz UDAASVJVOSSRAX-UGSOOPFHSA-N 1 3 338.417 4.230 20 0 EIADHO FC(F)(F)c1cccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000091284506 1029882192 /nfs/dbraw/zinc/88/21/92/1029882192.db2.gz UDAASVJVOSSRAX-UGSOOPFHSA-N 1 3 338.417 4.230 20 0 EIADHO FC(F)(F)c1cccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000091284508 1029882565 /nfs/dbraw/zinc/88/25/65/1029882565.db2.gz UDAASVJVOSSRAX-ACJLOTCBSA-N 1 3 338.417 4.230 20 0 EIADHO FC(F)(F)c1cccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)c1 ZINC000091284508 1029882569 /nfs/dbraw/zinc/88/25/69/1029882569.db2.gz UDAASVJVOSSRAX-ACJLOTCBSA-N 1 3 338.417 4.230 20 0 EIADHO CC(C)[C@@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1cccnc1 ZINC000091310345 1029883681 /nfs/dbraw/zinc/88/36/81/1029883681.db2.gz SZBKJFJSLSFOQK-OAQYLSRUSA-N 1 3 325.500 4.409 20 0 EIADHO CC(C)[C@@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1cccnc1 ZINC000091310345 1029883682 /nfs/dbraw/zinc/88/36/82/1029883682.db2.gz SZBKJFJSLSFOQK-OAQYLSRUSA-N 1 3 325.500 4.409 20 0 EIADHO C[C@@H](CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000447735316 1030311872 /nfs/dbraw/zinc/31/18/72/1030311872.db2.gz CVXCFBZANCNWSL-SLFFLAALSA-N 1 3 344.543 4.001 20 0 EIADHO CC(C)CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000685443828 1030320594 /nfs/dbraw/zinc/32/05/94/1030320594.db2.gz WVCYPTZADFCUGY-YOFSQIOKSA-N 1 3 330.516 4.169 20 0 EIADHO CC(C)CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000685443828 1030320612 /nfs/dbraw/zinc/32/06/12/1030320612.db2.gz WVCYPTZADFCUGY-YOFSQIOKSA-N 1 3 330.516 4.169 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2cccnc21 ZINC000708571138 1030392421 /nfs/dbraw/zinc/39/24/21/1030392421.db2.gz QRYGAPPCCUQJCV-PGRDOPGGSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc2cccnc21 ZINC000708571138 1030392440 /nfs/dbraw/zinc/39/24/40/1030392440.db2.gz QRYGAPPCCUQJCV-PGRDOPGGSA-N 1 3 345.490 4.093 20 0 EIADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000708571138 1030392459 /nfs/dbraw/zinc/39/24/59/1030392459.db2.gz QRYGAPPCCUQJCV-PGRDOPGGSA-N 1 3 345.490 4.093 20 0 EIADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657932155 1030637914 /nfs/dbraw/zinc/63/79/14/1030637914.db2.gz UQPQMHBWDDNADY-JKSUJKDBSA-N 1 3 331.529 4.315 20 0 EIADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657932155 1030637920 /nfs/dbraw/zinc/63/79/20/1030637920.db2.gz UQPQMHBWDDNADY-JKSUJKDBSA-N 1 3 331.529 4.315 20 0 EIADHO Cc1cc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000527638276 1030791142 /nfs/dbraw/zinc/79/11/42/1030791142.db2.gz HPKSYNPBRWFNDO-HDICACEKSA-N 1 3 337.511 4.158 20 0 EIADHO Cc1cc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccn1 ZINC000527638276 1030791161 /nfs/dbraw/zinc/79/11/61/1030791161.db2.gz HPKSYNPBRWFNDO-HDICACEKSA-N 1 3 337.511 4.158 20 0 EIADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc3cc[nH]c3c2)CC1 ZINC000527659566 1030813414 /nfs/dbraw/zinc/81/34/14/1030813414.db2.gz BBJBHVOIVOUCRM-KRWDZBQOSA-N 1 3 333.479 4.483 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(C)c1 ZINC000658162513 1030859363 /nfs/dbraw/zinc/85/93/63/1030859363.db2.gz DWLUKPVUFWDBES-JOCHJYFZSA-N 1 3 337.511 4.343 20 0 EIADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167705 1030864060 /nfs/dbraw/zinc/86/40/60/1030864060.db2.gz SZIMGQNHDXHXBD-WZONZLPQSA-N 1 3 349.522 4.207 20 0 EIADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168778 1030865059 /nfs/dbraw/zinc/86/50/59/1030865059.db2.gz YSOOTCPXIWSFSZ-GOTSBHOMSA-N 1 3 349.522 4.220 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(C)cc2)[C@@H](C)C1 ZINC000532499454 1031235777 /nfs/dbraw/zinc/23/57/77/1031235777.db2.gz JFTSQAOATNNSLY-TYPHKJRUSA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(C)cc2)[C@@H](C)C1 ZINC000532499454 1031235791 /nfs/dbraw/zinc/23/57/91/1031235791.db2.gz JFTSQAOATNNSLY-TYPHKJRUSA-N 1 3 332.532 4.173 20 0 EIADHO Cc1cc(C)c2c(c1)[C@@H](NCc1cccc(C[NH+](C)C)c1)CCCO2 ZINC000123697745 1031481164 /nfs/dbraw/zinc/48/11/64/1031481164.db2.gz CWHLPFZQLNVWRL-NRFANRHFSA-N 1 3 338.495 4.369 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCOc3cc(C)ccc32)c1 ZINC000123914428 1031493272 /nfs/dbraw/zinc/49/32/72/1031493272.db2.gz SOTGBNULVKXIRS-NRFANRHFSA-N 1 3 338.495 4.450 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCOc3cc(C)ccc32)c1 ZINC000123914428 1031493279 /nfs/dbraw/zinc/49/32/79/1031493279.db2.gz SOTGBNULVKXIRS-NRFANRHFSA-N 1 3 338.495 4.450 20 0 EIADHO Cn1ccc(CNCc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000124102363 1031505440 /nfs/dbraw/zinc/50/54/40/1031505440.db2.gz QDBSOVXOZNCEOD-UHFFFAOYSA-N 1 3 325.500 4.079 20 0 EIADHO Cn1ccc(CNCc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000124102363 1031505447 /nfs/dbraw/zinc/50/54/47/1031505447.db2.gz QDBSOVXOZNCEOD-UHFFFAOYSA-N 1 3 325.500 4.079 20 0 EIADHO CC1(C)CN(Cc2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449411958 1031696103 /nfs/dbraw/zinc/69/61/03/1031696103.db2.gz DKPLFRXNWBKQJW-QFIPXVFZSA-N 1 3 349.522 4.204 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000531958971 1031878534 /nfs/dbraw/zinc/87/85/34/1031878534.db2.gz HCMKGAVIKAHKPO-HUUCEWRRSA-N 1 3 328.422 4.476 20 0 EIADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453373227 1031919583 /nfs/dbraw/zinc/91/95/83/1031919583.db2.gz WZFLZFSHYSQAGU-KRXYWNSISA-N 1 3 328.500 4.239 20 0 EIADHO C[N@H+](CCCCN[C@H](c1cc2ccccc2o1)c1cccnc1)C1CC1 ZINC000453418470 1031952639 /nfs/dbraw/zinc/95/26/39/1031952639.db2.gz YEGAECCSMHKKMO-QFIPXVFZSA-N 1 3 349.478 4.381 20 0 EIADHO C[N@@H+](CCCCN[C@H](c1cc2ccccc2o1)c1cccnc1)C1CC1 ZINC000453418470 1031952641 /nfs/dbraw/zinc/95/26/41/1031952641.db2.gz YEGAECCSMHKKMO-QFIPXVFZSA-N 1 3 349.478 4.381 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCc2ccc(F)cc21 ZINC000531993446 1031959458 /nfs/dbraw/zinc/95/94/58/1031959458.db2.gz REIDHIUROASVGN-HVETUWLQSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCc2ccc(F)cc21 ZINC000531993446 1031959473 /nfs/dbraw/zinc/95/94/73/1031959473.db2.gz REIDHIUROASVGN-HVETUWLQSA-N 1 3 338.470 4.313 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000512646588 1033613253 /nfs/dbraw/zinc/61/32/53/1033613253.db2.gz BMWAUGSCCQIEGO-FUMNGEBKSA-N 1 3 348.481 4.455 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000333303411 1034628072 /nfs/dbraw/zinc/62/80/72/1034628072.db2.gz QLCMFRXPUSOVPY-WWGRRREGSA-N 1 3 345.487 4.186 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2ccc(Cl)o2)C[N@@H+]1Cc1ccccc1 ZINC000513501539 1034998269 /nfs/dbraw/zinc/99/82/69/1034998269.db2.gz TVTQRHXIURNJQL-DOTOQJQBSA-N 1 3 332.875 4.323 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2ccc(Cl)o2)C[N@H+]1Cc1ccccc1 ZINC000513501539 1034998297 /nfs/dbraw/zinc/99/82/97/1034998297.db2.gz TVTQRHXIURNJQL-DOTOQJQBSA-N 1 3 332.875 4.323 20 0 EIADHO Clc1ccccc1-c1csc(CN2CCC3(C2)CC[NH2+]CC3)n1 ZINC000420308696 1035507183 /nfs/dbraw/zinc/50/71/83/1035507183.db2.gz NVVZCDHMIZIBEI-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO Brc1ccc([C@@H]2CCCN2CCC2CC[NH2+]CC2)s1 ZINC000420377150 1035560273 /nfs/dbraw/zinc/56/02/73/1035560273.db2.gz RRLZEZOMUWZFPB-ZDUSSCGKSA-N 1 3 343.334 4.037 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000575115335 1035707120 /nfs/dbraw/zinc/70/71/20/1035707120.db2.gz YHMUJLHZAJRIJR-KRWDZBQOSA-N 1 3 337.511 4.401 20 0 EIADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CC3 ZINC000491043099 1035793568 /nfs/dbraw/zinc/79/35/68/1035793568.db2.gz YZIYFYSDOWEDAL-ROUUACIJSA-N 1 3 339.527 4.044 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090593 1035943595 /nfs/dbraw/zinc/94/35/95/1035943595.db2.gz GHUSSRTXJLVXLT-KDOFPFPSSA-N 1 3 332.488 4.326 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000571090593 1035943617 /nfs/dbraw/zinc/94/36/17/1035943617.db2.gz GHUSSRTXJLVXLT-KDOFPFPSSA-N 1 3 332.488 4.326 20 0 EIADHO C[C@H](CC[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000668512616 1036009557 /nfs/dbraw/zinc/00/95/57/1036009557.db2.gz OFTPFSHYLLXXTN-LJQANCHMSA-N 1 3 337.511 4.077 20 0 EIADHO CSc1ccccc1[C@@H]1CCCN1C1CC[NH+](CC2CC2)CC1 ZINC001168389173 1036736474 /nfs/dbraw/zinc/73/64/74/1036736474.db2.gz KWXGLFMONBVRRY-IBGZPJMESA-N 1 3 330.541 4.420 20 0 EIADHO CC(C)c1ncc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486565882 1036770077 /nfs/dbraw/zinc/77/00/77/1036770077.db2.gz NIVSOSPRXLQRMF-WMZOPIPTSA-N 1 3 343.540 4.267 20 0 EIADHO CC(C)c1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486565879 1036771291 /nfs/dbraw/zinc/77/12/91/1036771291.db2.gz NIVSOSPRXLQRMF-FUHWJXTLSA-N 1 3 343.540 4.267 20 0 EIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3cccc4[nH]ccc43)CC2)C1 ZINC000503116682 1036928441 /nfs/dbraw/zinc/92/84/41/1036928441.db2.gz HLQZNHXIXHROAW-FXAWDEMLSA-N 1 3 339.527 4.343 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000486980343 1036930700 /nfs/dbraw/zinc/93/07/00/1036930700.db2.gz MLNZGQKTTZRNBH-GGJLBNBESA-N 1 3 349.522 4.363 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000486980343 1036930715 /nfs/dbraw/zinc/93/07/15/1036930715.db2.gz MLNZGQKTTZRNBH-GGJLBNBESA-N 1 3 349.522 4.363 20 0 EIADHO C(=C/c1ccncc1)\CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000487266434 1037080621 /nfs/dbraw/zinc/08/06/21/1037080621.db2.gz OSXMJCGNYOZSEH-BQYQJAHWSA-N 1 3 335.495 4.261 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422727082 1037819221 /nfs/dbraw/zinc/81/92/21/1037819221.db2.gz GKNGTJYHMWLLBH-LLVKDONJSA-N 1 3 338.282 4.049 20 0 EIADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000422746697 1037823891 /nfs/dbraw/zinc/82/38/91/1037823891.db2.gz WYOQVTUGDJZLBG-DFQSSKMNSA-N 1 3 325.500 4.103 20 0 EIADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422748883 1037825290 /nfs/dbraw/zinc/82/52/90/1037825290.db2.gz WPUQIYRVBOMEOS-BOUXLOLZSA-N 1 3 342.870 4.247 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000422888636 1037856166 /nfs/dbraw/zinc/85/61/66/1037856166.db2.gz DIJYGPWKMWAEBA-HUUCEWRRSA-N 1 3 327.472 4.048 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000422927719 1037871704 /nfs/dbraw/zinc/87/17/04/1037871704.db2.gz ZWVDKYXTLJJKSZ-WCQYABFASA-N 1 3 337.389 4.279 20 0 EIADHO COc1ccccc1SC[C@H](C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422947683 1037884963 /nfs/dbraw/zinc/88/49/63/1037884963.db2.gz QWTFEVIMJFDJTD-JLSDUUJJSA-N 1 3 342.508 4.158 20 0 EIADHO C[C@H](NCC1(c2ccc(Cl)cc2Cl)CCCC1)C1C[NH2+]C1 ZINC000423032148 1037917105 /nfs/dbraw/zinc/91/71/05/1037917105.db2.gz XQTFVVFRLFLOQA-LBPRGKRZSA-N 1 3 327.299 4.003 20 0 EIADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423060506 1037928778 /nfs/dbraw/zinc/92/87/78/1037928778.db2.gz OQBGEWVUJZQXLH-LBPRGKRZSA-N 1 3 337.389 4.027 20 0 EIADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423070844 1037932829 /nfs/dbraw/zinc/93/28/29/1037932829.db2.gz NWXWKXWVLOPYNB-GHMZBOCLSA-N 1 3 334.813 4.106 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000423050780 1037936935 /nfs/dbraw/zinc/93/69/35/1037936935.db2.gz MAUOOPCMMYSTRD-SJLPKXTDSA-N 1 3 337.511 4.400 20 0 EIADHO COCCCC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000423085559 1037945270 /nfs/dbraw/zinc/94/52/70/1037945270.db2.gz KTYQFOFHVRZCHJ-UTKZUKDTSA-N 1 3 341.499 4.057 20 0 EIADHO COCCCC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000423085556 1037946511 /nfs/dbraw/zinc/94/65/11/1037946511.db2.gz KTYQFOFHVRZCHJ-DYESRHJHSA-N 1 3 341.499 4.057 20 0 EIADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100577 1037956514 /nfs/dbraw/zinc/95/65/14/1037956514.db2.gz HCVXLRKMZGHJND-CJNGLKHVSA-N 1 3 335.904 4.071 20 0 EIADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423126481 1037978862 /nfs/dbraw/zinc/97/88/62/1037978862.db2.gz IVPJBMLHGHSKPK-RZQQEMMASA-N 1 3 346.902 4.313 20 0 EIADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000423107706 1037983531 /nfs/dbraw/zinc/98/35/31/1037983531.db2.gz QBBBNQWTQFSEFG-CEXWTWQISA-N 1 3 336.907 4.057 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423147602 1037998887 /nfs/dbraw/zinc/99/88/87/1037998887.db2.gz SHNAGIBRPMWFGG-IIAWOOMASA-N 1 3 329.875 4.099 20 0 EIADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(C2CC2)c1 ZINC000423148175 1037998966 /nfs/dbraw/zinc/99/89/66/1037998966.db2.gz USLLWUMKLJOGQG-YTJPUZGESA-N 1 3 348.490 4.471 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423151874 1038003249 /nfs/dbraw/zinc/00/32/49/1038003249.db2.gz DDDOATGKNCHODG-XEZPLFJOSA-N 1 3 329.410 4.011 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000423291672 1038097961 /nfs/dbraw/zinc/09/79/61/1038097961.db2.gz JIVDCMMZFGBHIA-OLZOCXBDSA-N 1 3 333.273 4.320 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000423293957 1038123543 /nfs/dbraw/zinc/12/35/43/1038123543.db2.gz SPKNJKCPDDHNKB-ACJLOTCBSA-N 1 3 330.859 4.363 20 0 EIADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000423362777 1038179917 /nfs/dbraw/zinc/17/99/17/1038179917.db2.gz YEMHKGPMUGSUES-OAHLLOKOSA-N 1 3 343.696 4.063 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423368910 1038182228 /nfs/dbraw/zinc/18/22/28/1038182228.db2.gz DMNIISVCNWNTLY-UBHSHLNASA-N 1 3 333.476 4.178 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423371573 1038190202 /nfs/dbraw/zinc/19/02/02/1038190202.db2.gz GPPDKPJQFKLHQT-IAOVAPTHSA-N 1 3 329.513 4.347 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCN1 ZINC000423380577 1038192416 /nfs/dbraw/zinc/19/24/16/1038192416.db2.gz MZAYVAXNNPGAOH-QIJZBDPFSA-N 1 3 326.406 4.072 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCN1 ZINC000423380574 1038193603 /nfs/dbraw/zinc/19/36/03/1038193603.db2.gz MZAYVAXNNPGAOH-NQZOLGFYSA-N 1 3 326.406 4.072 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc2c1CCCN2 ZINC000423422165 1038213904 /nfs/dbraw/zinc/21/39/04/1038213904.db2.gz YKFWFZVBRHMVBX-GCJKJVERSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc2c1CCCN2 ZINC000423422165 1038213919 /nfs/dbraw/zinc/21/39/19/1038213919.db2.gz YKFWFZVBRHMVBX-GCJKJVERSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423444789 1038225507 /nfs/dbraw/zinc/22/55/07/1038225507.db2.gz MCXAKZSBEREZHE-PGRDOPGGSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1ccc2c(c1)CCCN2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423444789 1038225530 /nfs/dbraw/zinc/22/55/30/1038225530.db2.gz MCXAKZSBEREZHE-PGRDOPGGSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](NCc1ccc2c(c1)CCCN2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423444789 1038225544 /nfs/dbraw/zinc/22/55/44/1038225544.db2.gz MCXAKZSBEREZHE-PGRDOPGGSA-N 1 3 349.522 4.045 20 0 EIADHO COc1ccc([C@H](N[C@H]2CC[C@@H](C[NH3+])C2)c2ccccc2Cl)cc1 ZINC000423502033 1038257619 /nfs/dbraw/zinc/25/76/19/1038257619.db2.gz JMFRYYKHUKJWOY-IIMJZQEZSA-N 1 3 344.886 4.155 20 0 EIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(-c2ccccc2)nn1C ZINC000423521358 1038276333 /nfs/dbraw/zinc/27/63/33/1038276333.db2.gz SSFHYYXITKZPPY-YLJYHZDGSA-N 1 3 348.494 4.218 20 0 EIADHO Cc1ccc(-c2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424284647 1038794392 /nfs/dbraw/zinc/79/43/92/1038794392.db2.gz DLHGDIAWHCCYRJ-INIZCTEOSA-N 1 3 341.524 4.083 20 0 EIADHO CN(CCC[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1F ZINC000480897690 1038865152 /nfs/dbraw/zinc/86/51/52/1038865152.db2.gz FYPQIFPDPBJHOC-UHFFFAOYSA-N 1 3 347.522 4.039 20 0 EIADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000539377636 1039034578 /nfs/dbraw/zinc/03/45/78/1039034578.db2.gz SZXSLKAHBDHRKG-WSTZPKSXSA-N 1 3 342.527 4.391 20 0 EIADHO FC(F)(F)c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC001168365428 1039035964 /nfs/dbraw/zinc/03/59/64/1039035964.db2.gz RNHCQOYBKFOHAI-GOSISDBHSA-N 1 3 338.417 4.157 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552042740 1039058974 /nfs/dbraw/zinc/05/89/74/1039058974.db2.gz ZPCDSZWSWVOHKW-OKZBNKHCSA-N 1 3 340.433 4.219 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552042740 1039059000 /nfs/dbraw/zinc/05/90/00/1039059000.db2.gz ZPCDSZWSWVOHKW-OKZBNKHCSA-N 1 3 340.433 4.219 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000552043411 1039062641 /nfs/dbraw/zinc/06/26/41/1039062641.db2.gz LVAHWQDGHUGHOR-PVUWLOKVSA-N 1 3 342.405 4.109 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000552043411 1039062655 /nfs/dbraw/zinc/06/26/55/1039062655.db2.gz LVAHWQDGHUGHOR-PVUWLOKVSA-N 1 3 342.405 4.109 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000552043410 1039063782 /nfs/dbraw/zinc/06/37/82/1039063782.db2.gz LVAHWQDGHUGHOR-ISTRZQFTSA-N 1 3 342.405 4.109 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000552043410 1039063803 /nfs/dbraw/zinc/06/38/03/1039063803.db2.gz LVAHWQDGHUGHOR-ISTRZQFTSA-N 1 3 342.405 4.109 20 0 EIADHO CCCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1OCC ZINC000414811587 1039063925 /nfs/dbraw/zinc/06/39/25/1039063925.db2.gz PTUPVOJKSHFSNZ-MRXNPFEDSA-N 1 3 342.483 4.184 20 0 EIADHO Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000534057986 1039076530 /nfs/dbraw/zinc/07/65/30/1039076530.db2.gz FIBPYDOCPJBYRJ-GOSISDBHSA-N 1 3 339.310 4.445 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(OC)cc2)cc1 ZINC000120579424 1039181172 /nfs/dbraw/zinc/18/11/72/1039181172.db2.gz UKGREZROYZUDLE-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000090409167 1039222610 /nfs/dbraw/zinc/22/26/10/1039222610.db2.gz NIZBCNXFITUOFB-FMJMRLDVSA-N 1 3 341.524 4.298 20 0 EIADHO CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000513882640 1039343032 /nfs/dbraw/zinc/34/30/32/1039343032.db2.gz MYLNQFIQCCADMP-ZWKOTPCHSA-N 1 3 328.491 4.256 20 0 EIADHO Cc1cc(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc(C)c1O ZINC000470132781 1039454618 /nfs/dbraw/zinc/45/46/18/1039454618.db2.gz LPAKSRDOOMWUCN-HRAATJIYSA-N 1 3 344.543 4.184 20 0 EIADHO Cc1cccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c1C ZINC000122294962 1039633770 /nfs/dbraw/zinc/63/37/70/1039633770.db2.gz KBPQSRPLZLZQTO-GOSISDBHSA-N 1 3 326.484 4.095 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000122965163 1039836042 /nfs/dbraw/zinc/83/60/42/1039836042.db2.gz QWAPDUASXBYUJB-CQSZACIVSA-N 1 3 326.431 4.203 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000122963181 1039837083 /nfs/dbraw/zinc/83/70/83/1039837083.db2.gz PHXDUVDOYBBEOO-AWEZNQCLSA-N 1 3 326.431 4.203 20 0 EIADHO CSc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007502 1039860965 /nfs/dbraw/zinc/86/09/65/1039860965.db2.gz PDDBFXQQLZHQQE-QUCCMNQESA-N 1 3 326.509 4.334 20 0 EIADHO CSc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007502 1039860966 /nfs/dbraw/zinc/86/09/66/1039860966.db2.gz PDDBFXQQLZHQQE-QUCCMNQESA-N 1 3 326.509 4.334 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000537692199 1039909643 /nfs/dbraw/zinc/90/96/43/1039909643.db2.gz GKCMHQRFDBPXSI-VQIMIIECSA-N 1 3 326.509 4.350 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000537692199 1039909650 /nfs/dbraw/zinc/90/96/50/1039909650.db2.gz GKCMHQRFDBPXSI-VQIMIIECSA-N 1 3 326.509 4.350 20 0 EIADHO Cc1ccc(OCCCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000482034086 1039967135 /nfs/dbraw/zinc/96/71/35/1039967135.db2.gz QANDDRPIRFLXTO-UHFFFAOYSA-N 1 3 330.516 4.151 20 0 EIADHO Cc1ccc(OCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000482034086 1039967152 /nfs/dbraw/zinc/96/71/52/1039967152.db2.gz QANDDRPIRFLXTO-UHFFFAOYSA-N 1 3 330.516 4.151 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000482242596 1040098128 /nfs/dbraw/zinc/09/81/28/1040098128.db2.gz UEZDIMZSLIVIRF-KBPBESRZSA-N 1 3 327.299 4.142 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000482242596 1040098150 /nfs/dbraw/zinc/09/81/50/1040098150.db2.gz UEZDIMZSLIVIRF-KBPBESRZSA-N 1 3 327.299 4.142 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000482242602 1040098708 /nfs/dbraw/zinc/09/87/08/1040098708.db2.gz UEZDIMZSLIVIRF-ZIAGYGMSSA-N 1 3 327.299 4.142 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000482242602 1040098722 /nfs/dbraw/zinc/09/87/22/1040098722.db2.gz UEZDIMZSLIVIRF-ZIAGYGMSSA-N 1 3 327.299 4.142 20 0 EIADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479120785 1040153175 /nfs/dbraw/zinc/15/31/75/1040153175.db2.gz UMRCYDKHPYMVGC-HXUWFJFHSA-N 1 3 344.886 4.058 20 0 EIADHO CS[C@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000425355395 1040325272 /nfs/dbraw/zinc/32/52/72/1040325272.db2.gz ONSDLGZCCGPXPX-ROUUACIJSA-N 1 3 338.948 4.036 20 0 EIADHO Cc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000491247726 1040360184 /nfs/dbraw/zinc/36/01/84/1040360184.db2.gz FPQRWNKUGZAWDG-IBGZPJMESA-N 1 3 326.459 4.088 20 0 EIADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000491247726 1040360204 /nfs/dbraw/zinc/36/02/04/1040360204.db2.gz FPQRWNKUGZAWDG-IBGZPJMESA-N 1 3 326.459 4.088 20 0 EIADHO CC(C)[C@@H](CSc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000479522499 1040422150 /nfs/dbraw/zinc/42/21/50/1040422150.db2.gz BLVLYOICUAAIJZ-AFMYVXGZSA-N 1 3 332.557 4.410 20 0 EIADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000924781861 1040523203 /nfs/dbraw/zinc/52/32/03/1040523203.db2.gz KKGQBNAUADSOPB-IFMALSPDSA-N 1 3 344.543 4.254 20 0 EIADHO COc1cc(C)c([C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000483186473 1040763377 /nfs/dbraw/zinc/76/33/77/1040763377.db2.gz UWQQKGYNCZKONE-DNVCBOLYSA-N 1 3 336.520 4.029 20 0 EIADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539828133 1040823794 /nfs/dbraw/zinc/82/37/94/1040823794.db2.gz BMCMMDSPXVUQRA-IBGZPJMESA-N 1 3 326.459 4.088 20 0 EIADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539828133 1040823798 /nfs/dbraw/zinc/82/37/98/1040823798.db2.gz BMCMMDSPXVUQRA-IBGZPJMESA-N 1 3 326.459 4.088 20 0 EIADHO C[N@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539834038 1040829813 /nfs/dbraw/zinc/82/98/13/1040829813.db2.gz WFTRWPXVSWSNQU-FERLCFGISA-N 1 3 338.470 4.293 20 0 EIADHO C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539834038 1040829815 /nfs/dbraw/zinc/82/98/15/1040829815.db2.gz WFTRWPXVSWSNQU-FERLCFGISA-N 1 3 338.470 4.293 20 0 EIADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(F)c1F ZINC000537845142 1040850598 /nfs/dbraw/zinc/85/05/98/1040850598.db2.gz FXPAOTCSYTWRMV-UHFFFAOYSA-N 1 3 345.437 4.098 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903090959 1040898675 /nfs/dbraw/zinc/89/86/75/1040898675.db2.gz KAKOUIHRIQXDMR-DYESRHJHSA-N 1 3 348.506 4.003 20 0 EIADHO c1ccc([C@H](CC2CCOCC2)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168368108 1040912368 /nfs/dbraw/zinc/91/23/68/1040912368.db2.gz AHEPXWPXCMEAPD-QFIPXVFZSA-N 1 3 342.527 4.008 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC000436241150 1040989437 /nfs/dbraw/zinc/98/94/37/1040989437.db2.gz QNCYICSGDBNDEB-NHTMILBNSA-N 1 3 348.534 4.477 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735971 1040989778 /nfs/dbraw/zinc/98/97/78/1040989778.db2.gz XOWGQNLGAYOVEB-KCQAQPDRSA-N 1 3 328.472 4.177 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(SCC(F)F)cc1 ZINC000483735971 1040989800 /nfs/dbraw/zinc/98/98/00/1040989800.db2.gz XOWGQNLGAYOVEB-KCQAQPDRSA-N 1 3 328.472 4.177 20 0 EIADHO c1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCN2CCCC2)CCC3)cc1 ZINC000480144985 1041001516 /nfs/dbraw/zinc/00/15/16/1041001516.db2.gz GHLIIVXDAOFFPR-QGZVFWFLSA-N 1 3 341.524 4.263 20 0 EIADHO C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000483809810 1041018034 /nfs/dbraw/zinc/01/80/34/1041018034.db2.gz SBGRJRIMHHQLBY-HNNXBMFYSA-N 1 3 336.470 4.455 20 0 EIADHO CSc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000436283107 1041027288 /nfs/dbraw/zinc/02/72/88/1041027288.db2.gz KRWJNODXHVACIQ-UHFFFAOYSA-N 1 3 332.557 4.338 20 0 EIADHO CSc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000436283107 1041027303 /nfs/dbraw/zinc/02/73/03/1041027303.db2.gz KRWJNODXHVACIQ-UHFFFAOYSA-N 1 3 332.557 4.338 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000554360890 1041035823 /nfs/dbraw/zinc/03/58/23/1041035823.db2.gz NOJUEJRABOUHFF-AZUAARDMSA-N 1 3 332.919 4.330 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000538099450 1041037710 /nfs/dbraw/zinc/03/77/10/1041037710.db2.gz UUTGBCLPYPLDTJ-OAQYLSRUSA-N 1 3 342.458 4.007 20 0 EIADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CCCO2 ZINC000540189588 1041233959 /nfs/dbraw/zinc/23/39/59/1041233959.db2.gz BFBGRXNCYJNBMA-LJQANCHMSA-N 1 3 330.516 4.370 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301592 1041353549 /nfs/dbraw/zinc/35/35/49/1041353549.db2.gz LQUYJOUCDUESDK-SJCJKPOMSA-N 1 3 327.299 4.376 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301592 1041353557 /nfs/dbraw/zinc/35/35/57/1041353557.db2.gz LQUYJOUCDUESDK-SJCJKPOMSA-N 1 3 327.299 4.376 20 0 EIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OC(F)(F)F)cc1 ZINC000484879269 1041478023 /nfs/dbraw/zinc/47/80/23/1041478023.db2.gz DTGDTFRKOHCGLF-DZGCQCFKSA-N 1 3 330.394 4.110 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000195138196 1041486539 /nfs/dbraw/zinc/48/65/39/1041486539.db2.gz NYQSPSIALCMJEX-WMZOPIPTSA-N 1 3 342.458 4.007 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000538738291 1041508762 /nfs/dbraw/zinc/50/87/62/1041508762.db2.gz LRPRUKRMVPGWLD-PXNSSMCTSA-N 1 3 330.516 4.170 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000538738291 1041508771 /nfs/dbraw/zinc/50/87/71/1041508771.db2.gz LRPRUKRMVPGWLD-PXNSSMCTSA-N 1 3 330.516 4.170 20 0 EIADHO CCN(Cc1ccc(OC)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000538761881 1041537083 /nfs/dbraw/zinc/53/70/83/1041537083.db2.gz IUEOQTNFRBUIQR-NRFANRHFSA-N 1 3 338.495 4.039 20 0 EIADHO CCN(Cc1ccc(OC)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000538761881 1041537087 /nfs/dbraw/zinc/53/70/87/1041537087.db2.gz IUEOQTNFRBUIQR-NRFANRHFSA-N 1 3 338.495 4.039 20 0 EIADHO c1ccc(COC2CC([NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000463563573 1041630027 /nfs/dbraw/zinc/63/00/27/1041630027.db2.gz MCUWTZAIGGRXSC-UHFFFAOYSA-N 1 3 342.527 4.121 20 0 EIADHO c1ccc(COC2CC(NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000463563573 1041630037 /nfs/dbraw/zinc/63/00/37/1041630037.db2.gz MCUWTZAIGGRXSC-UHFFFAOYSA-N 1 3 342.527 4.121 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437578334 1041845783 /nfs/dbraw/zinc/84/57/83/1041845783.db2.gz JMKBACRMOUVIBG-UHFFFAOYSA-N 1 3 346.544 4.082 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437578334 1041845784 /nfs/dbraw/zinc/84/57/84/1041845784.db2.gz JMKBACRMOUVIBG-UHFFFAOYSA-N 1 3 346.544 4.082 20 0 EIADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000425914700 1041932976 /nfs/dbraw/zinc/93/29/76/1041932976.db2.gz CEVRMQYTJOCBSJ-DLBZAZTESA-N 1 3 326.484 4.211 20 0 EIADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000303163336 1042336589 /nfs/dbraw/zinc/33/65/89/1042336589.db2.gz HMOFLKCZQMTPBV-JOCHJYFZSA-N 1 3 336.523 4.464 20 0 EIADHO C[NH+](C)Cc1cccc(CNCc2cc3ccnc(Cl)c3s2)c1 ZINC000894383581 1042675485 /nfs/dbraw/zinc/67/54/85/1042675485.db2.gz FTTFNPYOEPTZBZ-UHFFFAOYSA-N 1 3 345.899 4.301 20 0 EIADHO COc1cccc([C@@H](C)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000177214007 1042830959 /nfs/dbraw/zinc/83/09/59/1042830959.db2.gz PNYGZQWSARBTTG-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO COc1cccc([C@@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000177214007 1042830961 /nfs/dbraw/zinc/83/09/61/1042830961.db2.gz PNYGZQWSARBTTG-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310998835 1042850073 /nfs/dbraw/zinc/85/00/73/1042850073.db2.gz UVEIKUHUHJNACO-BBTUJRGHSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310998835 1042850075 /nfs/dbraw/zinc/85/00/75/1042850075.db2.gz UVEIKUHUHJNACO-BBTUJRGHSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000310998850 1042850326 /nfs/dbraw/zinc/85/03/26/1042850326.db2.gz UVEIKUHUHJNACO-WAOWUJCRSA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310998850 1042850328 /nfs/dbraw/zinc/85/03/28/1042850328.db2.gz UVEIKUHUHJNACO-WAOWUJCRSA-N 1 3 338.495 4.256 20 0 EIADHO C[C@H](N[C@@H]1CCc2cc(F)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311145899 1042853600 /nfs/dbraw/zinc/85/36/00/1042853600.db2.gz ZLARZIMBKPEGNL-DKZVUGQWSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H](N[C@@H]1CCc2cc(F)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311145899 1042853603 /nfs/dbraw/zinc/85/36/03/1042853603.db2.gz ZLARZIMBKPEGNL-DKZVUGQWSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@H]([NH2+]CC1(N)CCCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000665249773 1043263104 /nfs/dbraw/zinc/26/31/04/1043263104.db2.gz YVAJOTAPZUHDQC-RYUDHWBXSA-N 1 3 331.287 4.010 20 0 EIADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665283664 1043689308 /nfs/dbraw/zinc/68/93/08/1043689308.db2.gz RYTLIWNDYGFXNR-QNWVGRARSA-N 1 3 348.490 4.218 20 0 EIADHO c1csc(C[NH+]2CCC(CNc3ccnc4ccccc43)CC2)c1 ZINC000521364171 1043729049 /nfs/dbraw/zinc/72/90/49/1043729049.db2.gz IQFCVBIVUFMEEP-UHFFFAOYSA-N 1 3 337.492 4.042 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000191019059 1043765204 /nfs/dbraw/zinc/76/52/04/1043765204.db2.gz ZMTOUURPIPFELT-NSHGMRRFSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191019059 1043765223 /nfs/dbraw/zinc/76/52/23/1043765223.db2.gz ZMTOUURPIPFELT-NSHGMRRFSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@@H]1CCC2(CCCCC2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191019059 1043765251 /nfs/dbraw/zinc/76/52/51/1043765251.db2.gz ZMTOUURPIPFELT-NSHGMRRFSA-N 1 3 334.548 4.111 20 0 EIADHO COCCC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000442723111 1043824520 /nfs/dbraw/zinc/82/45/20/1043824520.db2.gz YONZDLNTGGLDAV-FXAWDEMLSA-N 1 3 336.495 4.005 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000443015950 1043970469 /nfs/dbraw/zinc/97/04/69/1043970469.db2.gz UUYRTJBDMRTYCY-UHFFFAOYSA-N 1 3 328.422 4.368 20 0 EIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCSc3c(F)cccc32)c1 ZINC000177733508 1044449853 /nfs/dbraw/zinc/44/98/53/1044449853.db2.gz CLCKJWIABXLRHZ-GOSISDBHSA-N 1 3 330.472 4.214 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000494880542 1044467324 /nfs/dbraw/zinc/46/73/24/1044467324.db2.gz SNLZLVMODBMLOP-DBXWQHBBSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000494880545 1044467446 /nfs/dbraw/zinc/46/74/46/1044467446.db2.gz SNLZLVMODBMLOP-LVCYWYKZSA-N 1 3 348.506 4.148 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000177978440 1044607218 /nfs/dbraw/zinc/60/72/18/1044607218.db2.gz OLVZTOLXHXRKJG-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000177978440 1044607226 /nfs/dbraw/zinc/60/72/26/1044607226.db2.gz OLVZTOLXHXRKJG-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001168476307 1044628802 /nfs/dbraw/zinc/62/88/02/1044628802.db2.gz SUHQPJAXWBOSHS-ZWKOTPCHSA-N 1 3 330.491 4.167 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001168476307 1044628808 /nfs/dbraw/zinc/62/88/08/1044628808.db2.gz SUHQPJAXWBOSHS-ZWKOTPCHSA-N 1 3 330.491 4.167 20 0 EIADHO CCC[C@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccnc1 ZINC000544570186 1044944387 /nfs/dbraw/zinc/94/43/87/1044944387.db2.gz WPZYJFSKSXZZKF-RXVVDRJESA-N 1 3 325.500 4.423 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000246890765 1045833800 /nfs/dbraw/zinc/83/38/00/1045833800.db2.gz MATZZTSUOAOGQV-HOJAQTOUSA-N 1 3 334.548 4.111 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)s2)C1 ZINC000125784475 1046345530 /nfs/dbraw/zinc/34/55/30/1046345530.db2.gz FLKUXUWKOIVNGJ-QWHCGFSZSA-N 1 3 345.350 4.282 20 0 EIADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000162567714 1046351775 /nfs/dbraw/zinc/35/17/75/1046351775.db2.gz ZZWWCHLGXPIXKF-HNNXBMFYSA-N 1 3 332.875 4.131 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661017 1046628227 /nfs/dbraw/zinc/62/82/27/1046628227.db2.gz VBTAQFGTOSWVRH-BBRMVZONSA-N 1 3 335.542 4.034 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000536661017 1046628234 /nfs/dbraw/zinc/62/82/34/1046628234.db2.gz VBTAQFGTOSWVRH-BBRMVZONSA-N 1 3 335.542 4.034 20 0 EIADHO c1cc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)cc2c1OCC2 ZINC000459466026 1046703591 /nfs/dbraw/zinc/70/35/91/1046703591.db2.gz NTIWIOMZVNNNHA-UHFFFAOYSA-N 1 3 348.490 4.005 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3cc[nH]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379618874 1046708566 /nfs/dbraw/zinc/70/85/66/1046708566.db2.gz AULDSWBTRGOMNB-UWJYYQICSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3cc[nH]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000379618874 1046708586 /nfs/dbraw/zinc/70/85/86/1046708586.db2.gz AULDSWBTRGOMNB-UWJYYQICSA-N 1 3 333.479 4.311 20 0 EIADHO COc1ccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)s2)cc1 ZINC000459490605 1046732477 /nfs/dbraw/zinc/73/24/77/1046732477.db2.gz YHROUBXFHMGQQO-UHFFFAOYSA-N 1 3 342.508 4.140 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(c3ccccc3)CC2)C[C@H](C)O1 ZINC000536858420 1046826530 /nfs/dbraw/zinc/82/65/30/1046826530.db2.gz PAMQFKQKVYGUHK-IVCWUUCSSA-N 1 3 344.543 4.192 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806131011 1047156110 /nfs/dbraw/zinc/15/61/10/1047156110.db2.gz GJCXVVCPACYAER-GOSISDBHSA-N 1 3 343.902 4.354 20 0 EIADHO C[C@H](N[C@@H](c1ccncc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898322423 1047616141 /nfs/dbraw/zinc/61/61/41/1047616141.db2.gz KZRGPLZIMLCPAU-MTNREXPMSA-N 1 3 335.495 4.033 20 0 EIADHO C[C@H](N[C@@H](c1ccncc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898322423 1047616154 /nfs/dbraw/zinc/61/61/54/1047616154.db2.gz KZRGPLZIMLCPAU-MTNREXPMSA-N 1 3 335.495 4.033 20 0 EIADHO Clc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171109599 1048218544 /nfs/dbraw/zinc/21/85/44/1048218544.db2.gz KODATQUUEZLYDJ-OAQYLSRUSA-N 1 3 346.946 4.442 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171113060 1048249506 /nfs/dbraw/zinc/24/95/06/1048249506.db2.gz ZKCBHWKJZVSIDO-LJQANCHMSA-N 1 3 334.935 4.440 20 0 EIADHO CCCCN1CCC([N@H+](C)Cc2cc(CC)c(O)c(CC)c2)CC1 ZINC001144150266 1048461780 /nfs/dbraw/zinc/46/17/80/1048461780.db2.gz ZIZHHBIPAMIYCC-UHFFFAOYSA-N 1 3 332.532 4.213 20 0 EIADHO CCCCN1CCC([N@@H+](C)Cc2cc(CC)c(O)c(CC)c2)CC1 ZINC001144150266 1048461794 /nfs/dbraw/zinc/46/17/94/1048461794.db2.gz ZIZHHBIPAMIYCC-UHFFFAOYSA-N 1 3 332.532 4.213 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(SC(F)(F)F)cc1)C2 ZINC000809704836 1048489126 /nfs/dbraw/zinc/48/91/26/1048489126.db2.gz IIJQIPYSUZZBJK-YIONKMFJSA-N 1 3 344.446 4.356 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(SC(F)(F)F)cc1)C2 ZINC000809704836 1048489132 /nfs/dbraw/zinc/48/91/32/1048489132.db2.gz IIJQIPYSUZZBJK-YIONKMFJSA-N 1 3 344.446 4.356 20 0 EIADHO C[C@@H](NCc1cc2ccccc2o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000133773198 1048804915 /nfs/dbraw/zinc/80/49/15/1048804915.db2.gz RLQAFIZVMWXVJQ-MRXNPFEDSA-N 1 3 338.451 4.224 20 0 EIADHO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc5cc[nH]c54)C[C@H]3C2)cc1 ZINC001144712433 1048813431 /nfs/dbraw/zinc/81/34/31/1048813431.db2.gz XLAYIONMLXJDRA-SZPZYZBQSA-N 1 3 345.490 4.040 20 0 EIADHO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc5cc[nH]c54)C[C@H]3C2)cc1 ZINC001144712433 1048813436 /nfs/dbraw/zinc/81/34/36/1048813436.db2.gz XLAYIONMLXJDRA-SZPZYZBQSA-N 1 3 345.490 4.040 20 0 EIADHO C[NH+](C)CC[C@H](N[C@H]1CCc2c(F)cc(F)cc2C1)c1ccccc1 ZINC001171335785 1049356136 /nfs/dbraw/zinc/35/61/36/1049356136.db2.gz ATQNHPUSZQFFND-RXVVDRJESA-N 1 3 344.449 4.105 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000081095565 1049624004 /nfs/dbraw/zinc/62/40/04/1049624004.db2.gz LMOVSLVEFVKZSF-KDOFPFPSSA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000081095565 1049624012 /nfs/dbraw/zinc/62/40/12/1049624012.db2.gz LMOVSLVEFVKZSF-KDOFPFPSSA-N 1 3 331.891 4.050 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001170701563 1049736671 /nfs/dbraw/zinc/73/66/71/1049736671.db2.gz PQEJIBXULGSKRW-RBUKOAKNSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001170701563 1049736674 /nfs/dbraw/zinc/73/66/74/1049736674.db2.gz PQEJIBXULGSKRW-RBUKOAKNSA-N 1 3 348.481 4.163 20 0 EIADHO COc1cccc(CC(C)(C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171630318 1049762339 /nfs/dbraw/zinc/76/23/39/1049762339.db2.gz MHXGOFVKDNEGFO-UHFFFAOYSA-N 1 3 332.532 4.257 20 0 EIADHO C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)[C@H](O)c1ccc(Cl)cc1 ZINC001171624498 1049767738 /nfs/dbraw/zinc/76/77/38/1049767738.db2.gz UIMTWDBCYZWYOL-GUYCJALGSA-N 1 3 338.923 4.003 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1(C)C ZINC001171623516 1049767762 /nfs/dbraw/zinc/76/77/62/1049767762.db2.gz BBPMIHPIVKJVTA-FQEVSTJZSA-N 1 3 344.543 4.395 20 0 EIADHO C[NH+]1C(C)(C)CC(N[C@@H](c2ccccc2)C2CCOCC2)CC1(C)C ZINC001171623516 1049767768 /nfs/dbraw/zinc/76/77/68/1049767768.db2.gz BBPMIHPIVKJVTA-FQEVSTJZSA-N 1 3 344.543 4.395 20 0 EIADHO Cc1ccc(CC[C@H](C)N2CCC([NH3+])(c3ccc(F)cc3)CC2)cc1 ZINC001171666006 1049772884 /nfs/dbraw/zinc/77/28/84/1049772884.db2.gz KRYZFMIUICYYFD-SFHVURJKSA-N 1 3 340.486 4.405 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(Br)cc31)C2 ZINC001172100727 1049849381 /nfs/dbraw/zinc/84/93/81/1049849381.db2.gz SAJLWFITLYEEDK-XLMAVXFVSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(Br)cc31)C2 ZINC001172100727 1049849383 /nfs/dbraw/zinc/84/93/83/1049849383.db2.gz SAJLWFITLYEEDK-XLMAVXFVSA-N 1 3 349.316 4.041 20 0 EIADHO Cc1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)s1 ZINC001172067858 1049851562 /nfs/dbraw/zinc/85/15/62/1049851562.db2.gz OEVCUOHGJHPKPO-REPLKXPHSA-N 1 3 341.524 4.127 20 0 EIADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CS2 ZINC001172200149 1049869758 /nfs/dbraw/zinc/86/97/58/1049869758.db2.gz IBVXGHQXVJWWPK-GOSISDBHSA-N 1 3 330.541 4.090 20 0 EIADHO CC1CC[NH+](C2CCC(NCc3ccnc(Cl)c3F)CC2)CC1 ZINC000824023053 1049895859 /nfs/dbraw/zinc/89/58/59/1049895859.db2.gz GZZWEUCRUCRCHS-UHFFFAOYSA-N 1 3 339.886 4.007 20 0 EIADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCN1CCCC1 ZINC001172564561 1049935948 /nfs/dbraw/zinc/93/59/48/1049935948.db2.gz IYNPPGYPQVTRDS-ZDUSSCGKSA-N 1 3 330.850 4.015 20 0 EIADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[C@@H]1CCCN1C ZINC001172568175 1049938460 /nfs/dbraw/zinc/93/84/60/1049938460.db2.gz OXUPDLNJZHBXJM-OCCSQVGLSA-N 1 3 330.850 4.013 20 0 EIADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001172578990 1049951461 /nfs/dbraw/zinc/95/14/61/1049951461.db2.gz TYZPFXSKYOZBLH-VHDGCEQUSA-N 1 3 344.877 4.402 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000247090478 1050013681 /nfs/dbraw/zinc/01/36/81/1050013681.db2.gz NYURUBODSGXAKA-AUSJPIAWSA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000247090478 1050013687 /nfs/dbraw/zinc/01/36/87/1050013687.db2.gz NYURUBODSGXAKA-AUSJPIAWSA-N 1 3 344.524 4.242 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000249188530 1050094481 /nfs/dbraw/zinc/09/44/81/1050094481.db2.gz MGBXCGXGFDUUGO-CAOSSQGBSA-N 1 3 332.454 4.350 20 0 EIADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000090461158 1050179280 /nfs/dbraw/zinc/17/92/80/1050179280.db2.gz NYCFYHUGMNNSSP-PSBWJHGTSA-N 1 3 328.500 4.141 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172878123 1050220624 /nfs/dbraw/zinc/22/06/24/1050220624.db2.gz INEYFFBTCPOGGA-BMFZPTHFSA-N 1 3 326.937 4.283 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001172878123 1050220637 /nfs/dbraw/zinc/22/06/37/1050220637.db2.gz INEYFFBTCPOGGA-BMFZPTHFSA-N 1 3 326.937 4.283 20 0 EIADHO C1=CC[C@@H](CN2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)CC1 ZINC001173045675 1050270085 /nfs/dbraw/zinc/27/00/85/1050270085.db2.gz KVRGPQVDHSYNCN-LJQANCHMSA-N 1 3 346.559 4.136 20 0 EIADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)sn1 ZINC001177693170 1050283466 /nfs/dbraw/zinc/28/34/66/1050283466.db2.gz LDHAWAFJAAMTCU-UHFFFAOYSA-N 1 3 349.931 4.107 20 0 EIADHO CCCOC1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001173095288 1050287340 /nfs/dbraw/zinc/28/73/40/1050287340.db2.gz BIWSQJHIKFVOCL-LWEYNCJUSA-N 1 3 334.548 4.135 20 0 EIADHO COC1CC[NH+](C2CCN(C3CCC4(CCCCC4)CC3)CC2)CC1 ZINC001173122139 1050318179 /nfs/dbraw/zinc/31/81/79/1050318179.db2.gz ZVXQXBVFOLCYNQ-UHFFFAOYSA-N 1 3 348.575 4.455 20 0 EIADHO CCCC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001173258049 1050380748 /nfs/dbraw/zinc/38/07/48/1050380748.db2.gz YWTKGFNMEBXHBA-NRFANRHFSA-N 1 3 331.548 4.488 20 0 EIADHO CCCC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001173258047 1050381183 /nfs/dbraw/zinc/38/11/83/1050381183.db2.gz YVUQREHYBMPWRD-HXUWFJFHSA-N 1 3 331.548 4.488 20 0 EIADHO C[C@H]1C[C@H](CCNCc2cccc(F)c2F)C[N@@H+]1Cc1ccccc1 ZINC001178208291 1050406193 /nfs/dbraw/zinc/40/61/93/1050406193.db2.gz KYQLEIDDVKHLAH-WMZOPIPTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@H]1C[C@H](CCNCc2cccc(F)c2F)C[N@H+]1Cc1ccccc1 ZINC001178208291 1050406214 /nfs/dbraw/zinc/40/62/14/1050406214.db2.gz KYQLEIDDVKHLAH-WMZOPIPTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCC(N(C)C)CC1 ZINC001173546613 1050478866 /nfs/dbraw/zinc/47/88/66/1050478866.db2.gz KTGJTYUHFSDKPM-ZDUSSCGKSA-N 1 3 329.315 4.341 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCC(N(C)C)CC1 ZINC001173546610 1050479423 /nfs/dbraw/zinc/47/94/23/1050479423.db2.gz KTGJTYUHFSDKPM-CYBMUJFWSA-N 1 3 329.315 4.341 20 0 EIADHO C[C@H]1C[C@H](N(C)Cc2cccc3c[nH]nc32)CC[N@@H+]1Cc1ccccc1 ZINC000093318224 1050558403 /nfs/dbraw/zinc/55/84/03/1050558403.db2.gz HDEIUPFRWFGURN-LAUBAEHRSA-N 1 3 348.494 4.048 20 0 EIADHO C[C@H]1C[C@H](N(C)Cc2cccc3c[nH]nc32)CC[N@H+]1Cc1ccccc1 ZINC000093318224 1050558415 /nfs/dbraw/zinc/55/84/15/1050558415.db2.gz HDEIUPFRWFGURN-LAUBAEHRSA-N 1 3 348.494 4.048 20 0 EIADHO CC(C)[C@H](CN[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1 ZINC001179636700 1050744808 /nfs/dbraw/zinc/74/48/08/1050744808.db2.gz KLKVFUZTLXWNQM-LEWJYISDSA-N 1 3 325.500 4.104 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC001180225306 1050921745 /nfs/dbraw/zinc/92/17/45/1050921745.db2.gz QDSYIINWSJOSGH-SFHVURJKSA-N 1 3 341.543 4.047 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC001180225306 1050921755 /nfs/dbraw/zinc/92/17/55/1050921755.db2.gz QDSYIINWSJOSGH-SFHVURJKSA-N 1 3 341.543 4.047 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCSCC2)ccc1OC ZINC000183200620 1051012761 /nfs/dbraw/zinc/01/27/61/1051012761.db2.gz ZGGZKLCEDXTNJD-HNNXBMFYSA-N 1 3 336.545 4.083 20 0 EIADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181427053 1051221201 /nfs/dbraw/zinc/22/12/01/1051221201.db2.gz IYMXGDLRTYFZEB-OAHLLOKOSA-N 1 3 342.449 4.348 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)ccc1OC ZINC000775398528 1051229172 /nfs/dbraw/zinc/22/91/72/1051229172.db2.gz AKWVPSSFMLKQPC-SQNIBIBYSA-N 1 3 348.531 4.003 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CC=CCC2)cc1CN1CCCCC1 ZINC000775412106 1051274266 /nfs/dbraw/zinc/27/42/66/1051274266.db2.gz RXHHUVYEUOGOEK-FXAWDEMLSA-N 1 3 328.500 4.440 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H](C)c2ccc[nH]2)ccc1OC ZINC000775425328 1051317707 /nfs/dbraw/zinc/31/77/07/1051317707.db2.gz XTDBTCFPNWNQAY-CVEARBPZSA-N 1 3 329.488 4.277 20 0 EIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCCCC3(F)F)CC2)C1 ZINC001182054102 1051385270 /nfs/dbraw/zinc/38/52/70/1051385270.db2.gz SDNQLPCNFSABMC-NUJGCVRESA-N 1 3 328.491 4.445 20 0 EIADHO CS[C@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063339 1051388709 /nfs/dbraw/zinc/38/87/09/1051388709.db2.gz TXTZABLRTDWYBG-FPOVZHCZSA-N 1 3 346.584 4.362 20 0 EIADHO CS[C@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063339 1051388719 /nfs/dbraw/zinc/38/87/19/1051388719.db2.gz TXTZABLRTDWYBG-FPOVZHCZSA-N 1 3 346.584 4.362 20 0 EIADHO [NH3+]CCC1CCN(Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001206500874 1051510096 /nfs/dbraw/zinc/51/00/96/1051510096.db2.gz SHQHTVPUXISKQK-UHFFFAOYSA-N 1 3 335.904 4.024 20 0 EIADHO CN1CCc2ccc(Nc3ccc(C[NH+]4CCCCC4)cc3)cc2C1 ZINC001175365355 1051555295 /nfs/dbraw/zinc/55/52/95/1051555295.db2.gz IXFDUZHXDKRZCG-UHFFFAOYSA-N 1 3 335.495 4.404 20 0 EIADHO C[C@@H]1SCC[C@H]1[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001182726494 1051688099 /nfs/dbraw/zinc/68/80/99/1051688099.db2.gz UBWVZDNFWOZPGK-FBBABVLZSA-N 1 3 346.584 4.408 20 0 EIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H](CCc3ccccc3)Cc3ccccc3)[C@@H]2C1 ZINC001184389487 1052001705 /nfs/dbraw/zinc/00/17/05/1052001705.db2.gz XKFWUXZHWNYIKD-XQUALCHDSA-N 1 3 348.534 4.160 20 0 EIADHO Cc1ccc2cc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000336810983 1052520926 /nfs/dbraw/zinc/52/09/26/1052520926.db2.gz KLCUPSCENCKCKM-NRFANRHFSA-N 1 3 345.490 4.155 20 0 EIADHO Cc1ccc2cc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000336810983 1052520930 /nfs/dbraw/zinc/52/09/30/1052520930.db2.gz KLCUPSCENCKCKM-NRFANRHFSA-N 1 3 345.490 4.155 20 0 EIADHO COc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)ccc1Cl ZINC000623379857 1052641614 /nfs/dbraw/zinc/64/16/14/1052641614.db2.gz LGEOROSBSNNXSR-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO COc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1Cl ZINC000623379857 1052641619 /nfs/dbraw/zinc/64/16/19/1052641619.db2.gz LGEOROSBSNNXSR-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ncc(Br)s1 ZINC000179188264 1052726036 /nfs/dbraw/zinc/72/60/36/1052726036.db2.gz ZFPKRJWWROMTIG-NEPJUHHUSA-N 1 3 348.354 4.067 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ncc(Br)s1 ZINC000179188287 1052726175 /nfs/dbraw/zinc/72/61/75/1052726175.db2.gz ZFPKRJWWROMTIG-NWDGAFQWSA-N 1 3 348.354 4.067 20 0 EIADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000381796052 1053096436 /nfs/dbraw/zinc/09/64/36/1053096436.db2.gz BNLINQCEQLABKV-UAFMIMERSA-N 1 3 348.481 4.312 20 0 EIADHO Cc1cc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862491 1053105750 /nfs/dbraw/zinc/10/57/50/1053105750.db2.gz JAUMRKJKSPTQCJ-VQIMIIECSA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000381862491 1053105762 /nfs/dbraw/zinc/10/57/62/1053105762.db2.gz JAUMRKJKSPTQCJ-VQIMIIECSA-N 1 3 328.525 4.365 20 0 EIADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000381862491 1053105767 /nfs/dbraw/zinc/10/57/67/1053105767.db2.gz JAUMRKJKSPTQCJ-VQIMIIECSA-N 1 3 328.525 4.365 20 0 EIADHO C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000382062858 1053136165 /nfs/dbraw/zinc/13/61/65/1053136165.db2.gz PYXCHVBJSWHZOZ-ZBFHGGJFSA-N 1 3 334.916 4.402 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850432239 1053207978 /nfs/dbraw/zinc/20/79/78/1053207978.db2.gz VGLIMPMFCIXDMP-QGZVFWFLSA-N 1 3 338.495 4.314 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC000850432239 1053208005 /nfs/dbraw/zinc/20/80/05/1053208005.db2.gz VGLIMPMFCIXDMP-QGZVFWFLSA-N 1 3 338.495 4.314 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)ccc1OC ZINC000850536861 1053301714 /nfs/dbraw/zinc/30/17/14/1053301714.db2.gz OIFQRZBCIHYKGG-KDOFPFPSSA-N 1 3 340.458 4.233 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000383365058 1053329603 /nfs/dbraw/zinc/32/96/03/1053329603.db2.gz UXUUVOAWPQDXLT-WIYYLYMNSA-N 1 3 326.459 4.389 20 0 EIADHO CCOc1cccc(Cl)c1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001196788947 1053754580 /nfs/dbraw/zinc/75/45/80/1053754580.db2.gz FVECQZKRCZUXAL-UHFFFAOYSA-N 1 3 336.907 4.047 20 0 EIADHO Cc1cccc(OCCNCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001198992238 1054322890 /nfs/dbraw/zinc/32/28/90/1054322890.db2.gz YMODDPJBNOMQRP-UHFFFAOYSA-N 1 3 340.511 4.122 20 0 EIADHO Cc1cccc(OCCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001198992238 1054322905 /nfs/dbraw/zinc/32/29/05/1054322905.db2.gz YMODDPJBNOMQRP-UHFFFAOYSA-N 1 3 340.511 4.122 20 0 EIADHO CN1CC[C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)CC1(C)C ZINC001199309423 1054386707 /nfs/dbraw/zinc/38/67/07/1054386707.db2.gz IJLOAXQYGIJPOP-FQEVSTJZSA-N 1 3 338.495 4.228 20 0 EIADHO C[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001199403017 1054406722 /nfs/dbraw/zinc/40/67/22/1054406722.db2.gz CPARZYLOOUFSPJ-MOPGFXCFSA-N 1 3 330.560 4.484 20 0 EIADHO CC[NH+](CC)CCOc1ccccc1CNCc1cccc(C)c1C ZINC000061069870 1054741023 /nfs/dbraw/zinc/74/10/23/1054741023.db2.gz ZJFMBIRMNWNHPI-UHFFFAOYSA-N 1 3 340.511 4.314 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000067450066 1055037468 /nfs/dbraw/zinc/03/74/68/1055037468.db2.gz JBNMLTDYPGCSMR-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3ncccc3c2)c1 ZINC000067450066 1055037485 /nfs/dbraw/zinc/03/74/85/1055037485.db2.gz JBNMLTDYPGCSMR-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)sc1Br ZINC000623657312 1055531981 /nfs/dbraw/zinc/53/19/81/1055531981.db2.gz NKFOECRTFJJQEL-CHWSQXEVSA-N 1 3 345.350 4.202 20 0 EIADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)sc1Br ZINC000623657315 1055532446 /nfs/dbraw/zinc/53/24/46/1055532446.db2.gz NKFOECRTFJJQEL-STQMWFEESA-N 1 3 345.350 4.202 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160466 1060673079 /nfs/dbraw/zinc/67/30/79/1060673079.db2.gz GHKCVAMGKXBLSQ-KKBVYLPWSA-N 1 3 337.305 4.067 20 0 EIADHO C[C@@H](c1ccc(Br)cc1)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160466 1060673088 /nfs/dbraw/zinc/67/30/88/1060673088.db2.gz GHKCVAMGKXBLSQ-KKBVYLPWSA-N 1 3 337.305 4.067 20 0 EIADHO CC[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(F)cc1F ZINC000120924509 1032474756 /nfs/dbraw/zinc/47/47/56/1032474756.db2.gz CUTZZWKATPOIAL-LJQANCHMSA-N 1 3 336.401 4.406 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(C)(C)C)s2)C[C@@H](C)O1 ZINC000533200163 1032543872 /nfs/dbraw/zinc/54/38/72/1032543872.db2.gz MSLORNNIHLLARD-HZPDHXFCSA-N 1 3 338.561 4.025 20 0 EIADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)C1 ZINC000430150470 1018875886 /nfs/dbraw/zinc/87/58/86/1018875886.db2.gz SEKBTCFOVFCBIY-IBGZPJMESA-N 1 3 330.859 4.128 20 0 EIADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)C1 ZINC000430150470 1018875893 /nfs/dbraw/zinc/87/58/93/1018875893.db2.gz SEKBTCFOVFCBIY-IBGZPJMESA-N 1 3 330.859 4.128 20 0 EIADHO Cc1cnc([C@H](C)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000274752178 1019189256 /nfs/dbraw/zinc/18/92/56/1019189256.db2.gz HTZQEHKJOKIWON-AYBZRNKSSA-N 1 3 343.540 4.055 20 0 EIADHO Cc1cnc([C@H](C)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000274752181 1019189890 /nfs/dbraw/zinc/18/98/90/1019189890.db2.gz HTZQEHKJOKIWON-HHXXYDBFSA-N 1 3 343.540 4.055 20 0 EIADHO CCCC[N@H+](C)CC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC001167077778 1019567376 /nfs/dbraw/zinc/56/73/76/1019567376.db2.gz NOTRMROPGMGWDU-UHFFFAOYSA-N 1 3 340.914 4.466 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC001167077778 1019567391 /nfs/dbraw/zinc/56/73/91/1019567391.db2.gz NOTRMROPGMGWDU-UHFFFAOYSA-N 1 3 340.914 4.466 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2cnccc2c1 ZINC000327718171 1020167566 /nfs/dbraw/zinc/16/75/66/1020167566.db2.gz DDEZYKQJEGJOAO-UHFFFAOYSA-N 1 3 333.479 4.366 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000340476168 1021098026 /nfs/dbraw/zinc/09/80/26/1021098026.db2.gz UVZXZCXPLIWCKH-NRFANRHFSA-N 1 3 338.495 4.401 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690501 1021098654 /nfs/dbraw/zinc/09/86/54/1021098654.db2.gz LXCNRXJQOCVLDR-NZQKXSOJSA-N 1 3 349.522 4.435 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000683690501 1021098658 /nfs/dbraw/zinc/09/86/58/1021098658.db2.gz LXCNRXJQOCVLDR-NZQKXSOJSA-N 1 3 349.522 4.435 20 0 EIADHO C([C@@H]1CCCN(CC2([C@@H]3CCCCO3)CCC2)C1)[NH+]1CCCCCC1 ZINC001167326743 1021130310 /nfs/dbraw/zinc/13/03/10/1021130310.db2.gz PZNQJMKXBZEGJD-SFTDATJTSA-N 1 3 348.575 4.314 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(Br)c1 ZINC000171128250 1022082755 /nfs/dbraw/zinc/08/27/55/1022082755.db2.gz HANVSTFWQDTLHP-CQSZACIVSA-N 1 3 347.300 4.362 20 0 EIADHO CSc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)s1 ZINC000580604568 1022293075 /nfs/dbraw/zinc/29/30/75/1022293075.db2.gz XPCYEPKKAHWCOO-QGZVFWFLSA-N 1 3 346.565 4.124 20 0 EIADHO Cc1n[nH]cc1[C@@H](C)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000180072777 1022426078 /nfs/dbraw/zinc/42/60/78/1022426078.db2.gz KWEMRMGXQSVATM-MRXNPFEDSA-N 1 3 348.494 4.298 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)cs1 ZINC000581326325 1023024133 /nfs/dbraw/zinc/02/41/33/1023024133.db2.gz TWKUHOPVVGUNGE-NSHGMRRFSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)cs1 ZINC000581326325 1023024139 /nfs/dbraw/zinc/02/41/39/1023024139.db2.gz TWKUHOPVVGUNGE-NSHGMRRFSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cc2)cs1 ZINC000581326325 1023024156 /nfs/dbraw/zinc/02/41/56/1023024156.db2.gz TWKUHOPVVGUNGE-NSHGMRRFSA-N 1 3 341.524 4.081 20 0 EIADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(O)c1 ZINC000178802291 1023176075 /nfs/dbraw/zinc/17/60/75/1023176075.db2.gz YRSNWUJNXAVPCB-BRIRTLKKSA-N 1 3 336.479 4.238 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347041 1023274305 /nfs/dbraw/zinc/27/43/05/1023274305.db2.gz VOFFRVCFZYDUPB-MQOOWTBDSA-N 1 3 332.557 4.483 20 0 EIADHO [NH3+]CCC[C@@H](NCc1cnc(C2CCCC2)s1)c1ccccc1 ZINC000415054951 1023411968 /nfs/dbraw/zinc/41/19/68/1023411968.db2.gz OEQKDWFESSYITO-GOSISDBHSA-N 1 3 329.513 4.371 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1Cl ZINC000656682574 1023434594 /nfs/dbraw/zinc/43/45/94/1023434594.db2.gz DKOPWYWXZPEKCS-INIZCTEOSA-N 1 3 343.902 4.298 20 0 EIADHO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500099867 1023501574 /nfs/dbraw/zinc/50/15/74/1023501574.db2.gz VPSMDBVCALKHLV-JOCHJYFZSA-N 1 3 345.575 4.040 20 0 EIADHO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000500099867 1023501577 /nfs/dbraw/zinc/50/15/77/1023501577.db2.gz VPSMDBVCALKHLV-JOCHJYFZSA-N 1 3 345.575 4.040 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311138179 1023584399 /nfs/dbraw/zinc/58/43/99/1023584399.db2.gz YESBTBOHVFOTRS-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2[nH]ccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311138179 1023584407 /nfs/dbraw/zinc/58/44/07/1023584407.db2.gz YESBTBOHVFOTRS-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2[nH]ccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311138179 1023584411 /nfs/dbraw/zinc/58/44/11/1023584411.db2.gz YESBTBOHVFOTRS-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cnccc2c1 ZINC000398135718 1023700462 /nfs/dbraw/zinc/70/04/62/1023700462.db2.gz KYXLTWZHIKTRGV-FDDCHVKYSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cnccc2c1 ZINC000398135718 1023700468 /nfs/dbraw/zinc/70/04/68/1023700468.db2.gz KYXLTWZHIKTRGV-FDDCHVKYSA-N 1 3 345.490 4.235 20 0 EIADHO [NH3+]Cc1ccc(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)cc1 ZINC000581825088 1023737684 /nfs/dbraw/zinc/73/76/84/1023737684.db2.gz YMWDTJHKOYBDHW-OAQYLSRUSA-N 1 3 336.479 4.028 20 0 EIADHO CC[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OC(F)F ZINC000341626508 1023963678 /nfs/dbraw/zinc/96/36/78/1023963678.db2.gz MRFQITXWHDRONF-ZBFHGGJFSA-N 1 3 326.431 4.203 20 0 EIADHO [NH3+]CCC[C@@H](NCc1csc(C(F)(F)F)c1)c1ccccc1 ZINC000925720599 1024102680 /nfs/dbraw/zinc/10/26/80/1024102680.db2.gz YORJLCQCXACMKN-CQSZACIVSA-N 1 3 328.403 4.337 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216789 1033192131 /nfs/dbraw/zinc/19/21/31/1033192131.db2.gz ZGYBRBIMGYDIHW-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216789 1033192147 /nfs/dbraw/zinc/19/21/47/1033192147.db2.gz ZGYBRBIMGYDIHW-ICSRJNTNSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1 ZINC000652150001 1024331521 /nfs/dbraw/zinc/33/15/21/1024331521.db2.gz IIGDHXFIZVGJQD-FQEVSTJZSA-N 1 3 348.506 4.148 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000893969951 1033209077 /nfs/dbraw/zinc/20/90/77/1033209077.db2.gz UYPKTAUIYRDGMX-UHFFFAOYSA-N 1 3 337.920 4.113 20 0 EIADHO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000341758603 1024617130 /nfs/dbraw/zinc/61/71/30/1024617130.db2.gz BQQXREDGYBKZCX-SFHVURJKSA-N 1 3 334.891 4.018 20 0 EIADHO Fc1cccc(F)c1CN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279210393 1024790817 /nfs/dbraw/zinc/79/08/17/1024790817.db2.gz ILBANQPDLVRHJZ-IYBDPMFKSA-N 1 3 334.454 4.051 20 0 EIADHO Fc1cccc(F)c1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279210393 1024790827 /nfs/dbraw/zinc/79/08/27/1024790827.db2.gz ILBANQPDLVRHJZ-IYBDPMFKSA-N 1 3 334.454 4.051 20 0 EIADHO CC(C)c1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000663328010 1025095282 /nfs/dbraw/zinc/09/52/82/1025095282.db2.gz NCAZXCAFYLINMW-UHFFFAOYSA-N 1 3 337.511 4.207 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](C)c2ccccc2C(C)(C)C)CC1 ZINC000535838445 1025104535 /nfs/dbraw/zinc/10/45/35/1025104535.db2.gz RWOXDENBKJNLGX-QGZVFWFLSA-N 1 3 332.532 4.136 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466123 1025391596 /nfs/dbraw/zinc/39/15/96/1025391596.db2.gz OGPKONRAAXYPMH-UWJYYQICSA-N 1 3 337.511 4.257 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466123 1025391613 /nfs/dbraw/zinc/39/16/13/1025391613.db2.gz OGPKONRAAXYPMH-UWJYYQICSA-N 1 3 337.511 4.257 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663466307 1025393480 /nfs/dbraw/zinc/39/34/80/1025393480.db2.gz QWSPOIUYEAHDQO-NJDAHSKKSA-N 1 3 341.543 4.128 20 0 EIADHO C[C@@H](NCc1ccc2occc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511985599 1025396107 /nfs/dbraw/zinc/39/61/07/1025396107.db2.gz AQDRCOCJWSSLRC-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H](NCc1ccc2occc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511985599 1025396122 /nfs/dbraw/zinc/39/61/22/1025396122.db2.gz AQDRCOCJWSSLRC-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000511985599 1025396140 /nfs/dbraw/zinc/39/61/40/1025396140.db2.gz AQDRCOCJWSSLRC-DYESRHJHSA-N 1 3 334.463 4.433 20 0 EIADHO CN(CCCC[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000132437475 1025791374 /nfs/dbraw/zinc/79/13/74/1025791374.db2.gz ZUKPOYVGLJIFMH-UHFFFAOYSA-N 1 3 343.559 4.290 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001167837433 1025848774 /nfs/dbraw/zinc/84/87/74/1025848774.db2.gz KBKWXNQPJWVJCD-CTNGQTDRSA-N 1 3 332.532 4.053 20 0 EIADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409159 1025877982 /nfs/dbraw/zinc/87/79/82/1025877982.db2.gz FGQFWCAWVCEDBS-QZTJIDSGSA-N 1 3 348.531 4.015 20 0 EIADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409159 1025877988 /nfs/dbraw/zinc/87/79/88/1025877988.db2.gz FGQFWCAWVCEDBS-QZTJIDSGSA-N 1 3 348.531 4.015 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2cc(COC)cs2)c1 ZINC000657315148 1025956896 /nfs/dbraw/zinc/95/68/96/1025956896.db2.gz MLODFROETDYUHQ-UHFFFAOYSA-N 1 3 332.513 4.026 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000582032427 1025997842 /nfs/dbraw/zinc/99/78/42/1025997842.db2.gz HPIUCIVEQPOBRU-ZNLUXHQJSA-N 1 3 338.495 4.051 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000582032427 1025997863 /nfs/dbraw/zinc/99/78/63/1025997863.db2.gz HPIUCIVEQPOBRU-ZNLUXHQJSA-N 1 3 338.495 4.051 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000582032424 1025998907 /nfs/dbraw/zinc/99/89/07/1025998907.db2.gz HPIUCIVEQPOBRU-AGHHOFFYSA-N 1 3 338.495 4.051 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000582032424 1025998944 /nfs/dbraw/zinc/99/89/44/1025998944.db2.gz HPIUCIVEQPOBRU-AGHHOFFYSA-N 1 3 338.495 4.051 20 0 EIADHO CC(C)SCCN(C)[C@@H]1CCC[N@@H+](CCSC(C)C)CC1 ZINC000514096019 1026133944 /nfs/dbraw/zinc/13/39/44/1026133944.db2.gz RDIIMZRSETXYSV-QGZVFWFLSA-N 1 3 332.623 4.056 20 0 EIADHO CC(C)SCCN(C)[C@@H]1CCC[N@H+](CCSC(C)C)CC1 ZINC000514096019 1026133932 /nfs/dbraw/zinc/13/39/32/1026133932.db2.gz RDIIMZRSETXYSV-QGZVFWFLSA-N 1 3 332.623 4.056 20 0 EIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Br)s1 ZINC000548733896 1026548694 /nfs/dbraw/zinc/54/86/94/1026548694.db2.gz XWPKZRUHKOAVLO-RYUDHWBXSA-N 1 3 331.323 4.036 20 0 EIADHO COCc1ccccc1/C=C(\C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000507205994 1026693860 /nfs/dbraw/zinc/69/38/60/1026693860.db2.gz ALLOAXYTJVMHDT-XDJHFCHBSA-N 1 3 342.527 4.044 20 0 EIADHO CCN1CC[C@H](C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000474484970 1027122681 /nfs/dbraw/zinc/12/26/81/1027122681.db2.gz BWUCKXSDKXVMCA-OAHLLOKOSA-N 1 3 329.315 4.248 20 0 EIADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1Cl ZINC000657613625 1027301382 /nfs/dbraw/zinc/30/13/82/1027301382.db2.gz OMGHCXASCYJDAQ-UHFFFAOYSA-N 1 3 343.902 4.045 20 0 EIADHO c1ccc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccc2c1 ZINC000657612759 1027303245 /nfs/dbraw/zinc/30/32/45/1027303245.db2.gz RFDVZFXVLHZZNH-UHFFFAOYSA-N 1 3 345.490 4.237 20 0 EIADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041207 1027433437 /nfs/dbraw/zinc/43/34/37/1027433437.db2.gz QZIAUKFOONSEBV-BMFAXAFESA-N 1 3 336.470 4.405 20 0 EIADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041207 1027433446 /nfs/dbraw/zinc/43/34/46/1027433446.db2.gz QZIAUKFOONSEBV-BMFAXAFESA-N 1 3 336.470 4.405 20 0 EIADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000346860196 1028797838 /nfs/dbraw/zinc/79/78/38/1028797838.db2.gz JASNXCIVUBDZEX-WMZOPIPTSA-N 1 3 334.504 4.009 20 0 EIADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000346860195 1028798650 /nfs/dbraw/zinc/79/86/50/1028798650.db2.gz JASNXCIVUBDZEX-SJLPKXTDSA-N 1 3 334.504 4.009 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000281643337 1028821029 /nfs/dbraw/zinc/82/10/29/1028821029.db2.gz PEJBTUTTXLYPJY-FPCVCCKLSA-N 1 3 339.310 4.456 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000281643337 1028821034 /nfs/dbraw/zinc/82/10/34/1028821034.db2.gz PEJBTUTTXLYPJY-FPCVCCKLSA-N 1 3 339.310 4.456 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(Br)cc1 ZINC000650760142 1029234191 /nfs/dbraw/zinc/23/41/91/1029234191.db2.gz XKNKQAJMZIUKAA-ZDUSSCGKSA-N 1 3 333.273 4.019 20 0 EIADHO Cc1ccc2[nH]c(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000475225764 1029448297 /nfs/dbraw/zinc/44/82/97/1029448297.db2.gz VJEQLMXRAWTJLB-HXUWFJFHSA-N 1 3 347.506 4.396 20 0 EIADHO Cc1ccc2[nH]c(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000475225764 1029448304 /nfs/dbraw/zinc/44/83/04/1029448304.db2.gz VJEQLMXRAWTJLB-HXUWFJFHSA-N 1 3 347.506 4.396 20 0 EIADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCN(C)C(C)(C)C3)cc2)cs1 ZINC000623379223 1029622496 /nfs/dbraw/zinc/62/24/96/1029622496.db2.gz DPULMEAXKYTTPC-QGZVFWFLSA-N 1 3 329.513 4.081 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000325282989 1029633784 /nfs/dbraw/zinc/63/37/84/1029633784.db2.gz PDSDQNJIQHXNNW-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO Cc1c([C@H](C)NCc2ccc(C[NH3+])cc2)cnn1-c1cc(C)ccc1C ZINC000584173262 1029657439 /nfs/dbraw/zinc/65/74/39/1029657439.db2.gz HNTPYTIPDUJEPZ-KRWDZBQOSA-N 1 3 348.494 4.107 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)C1 ZINC000657840428 1029748252 /nfs/dbraw/zinc/74/82/52/1029748252.db2.gz GHSFFXIHYYXJAN-NWDGAFQWSA-N 1 3 345.712 4.095 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cc2cnccc2o1 ZINC000657867191 1029948100 /nfs/dbraw/zinc/94/81/00/1029948100.db2.gz KJUJATXCGMCYMJ-IEBWSBKVSA-N 1 3 349.478 4.043 20 0 EIADHO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647344347 1030224996 /nfs/dbraw/zinc/22/49/96/1030224996.db2.gz ORNJGPBDNFQWMI-ZNLUXHQJSA-N 1 3 338.495 4.081 20 0 EIADHO CCOc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647344347 1030225018 /nfs/dbraw/zinc/22/50/18/1030225018.db2.gz ORNJGPBDNFQWMI-ZNLUXHQJSA-N 1 3 338.495 4.081 20 0 EIADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000685455688 1030340572 /nfs/dbraw/zinc/34/05/72/1030340572.db2.gz LFXUHYOGVFTFRB-FZUCFXCGSA-N 1 3 344.543 4.283 20 0 EIADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000685645167 1030613553 /nfs/dbraw/zinc/61/35/53/1030613553.db2.gz KLIOHYXLUTZTLB-VQIMIIECSA-N 1 3 338.923 4.129 20 0 EIADHO COC[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000685645167 1030613573 /nfs/dbraw/zinc/61/35/73/1030613573.db2.gz KLIOHYXLUTZTLB-VQIMIIECSA-N 1 3 338.923 4.129 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[C@H]1C ZINC000658164163 1030860821 /nfs/dbraw/zinc/86/08/21/1030860821.db2.gz MUAAOPDCAGWDCV-LVCYWYKZSA-N 1 3 329.532 4.098 20 0 EIADHO Cc1ccc([C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658165440 1030862165 /nfs/dbraw/zinc/86/21/65/1030862165.db2.gz JQKRLMJYUKRXSN-QHCPKHFHSA-N 1 3 349.522 4.343 20 0 EIADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000658164482 1030862474 /nfs/dbraw/zinc/86/24/74/1030862474.db2.gz DRAQXNMPOQRMNO-LJQANCHMSA-N 1 3 337.511 4.261 20 0 EIADHO Cc1cc(C)cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000658168808 1030863748 /nfs/dbraw/zinc/86/37/48/1030863748.db2.gz ZELSEUJFOBSYHK-LJQANCHMSA-N 1 3 337.511 4.261 20 0 EIADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000658168408 1030865506 /nfs/dbraw/zinc/86/55/06/1030865506.db2.gz WVNFJHVNUUIYHA-HTAPYJJXSA-N 1 3 335.495 4.132 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cccnc1 ZINC000658320505 1030983983 /nfs/dbraw/zinc/98/39/83/1030983983.db2.gz YWLGNKGGFLMZFN-GHTZIAJQSA-N 1 3 335.495 4.035 20 0 EIADHO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527964486 1031006854 /nfs/dbraw/zinc/00/68/54/1031006854.db2.gz KSCRHKLTRJXPFS-QTGUNEKASA-N 1 3 349.522 4.423 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(C)cc2)[C@H](C)C1 ZINC000532499453 1031236333 /nfs/dbraw/zinc/23/63/33/1031236333.db2.gz JFTSQAOATNNSLY-NRSPTQNISA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(C)cc2)[C@H](C)C1 ZINC000532499453 1031236344 /nfs/dbraw/zinc/23/63/44/1031236344.db2.gz JFTSQAOATNNSLY-NRSPTQNISA-N 1 3 332.532 4.173 20 0 EIADHO COc1cccc2c(C[NH2+]C3CCN(C(C)(C)C)CC3)cccc12 ZINC000449093659 1031455100 /nfs/dbraw/zinc/45/51/00/1031455100.db2.gz WVNAHLOLOXPPJZ-UHFFFAOYSA-N 1 3 326.484 4.201 20 0 EIADHO C[C@H](Cc1ccncc1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449171458 1031491538 /nfs/dbraw/zinc/49/15/38/1031491538.db2.gz KOCXTUILDTVHOL-QGZVFWFLSA-N 1 3 331.548 4.281 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC(C)(C)c3ccccc32)[C@H](C)C1 ZINC000531711562 1031497709 /nfs/dbraw/zinc/49/77/09/1031497709.db2.gz GQIVYFQYNOQXFI-QMMLZNLJSA-N 1 3 344.543 4.136 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CC(C)(C)c3ccccc32)[C@H](C)C1 ZINC000531711562 1031497716 /nfs/dbraw/zinc/49/77/16/1031497716.db2.gz GQIVYFQYNOQXFI-QMMLZNLJSA-N 1 3 344.543 4.136 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000531943172 1031824441 /nfs/dbraw/zinc/82/44/41/1031824441.db2.gz VRILKBVOKHWYQC-AWEZNQCLSA-N 1 3 344.421 4.356 20 0 EIADHO Cc1nc(-c2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cs2)cs1 ZINC000453376731 1031925031 /nfs/dbraw/zinc/92/50/31/1031925031.db2.gz YUNBTWOOYHQXAZ-RJPYNODJSA-N 1 3 347.553 4.456 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000531980181 1031928631 /nfs/dbraw/zinc/92/86/31/1031928631.db2.gz AOEPSNZGRMTPHM-AVRDEDQJSA-N 1 3 337.511 4.274 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000531980181 1031928645 /nfs/dbraw/zinc/92/86/45/1031928645.db2.gz AOEPSNZGRMTPHM-AVRDEDQJSA-N 1 3 337.511 4.274 20 0 EIADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)nc1)N(C)Cc1ccccc1 ZINC000179135341 1032015484 /nfs/dbraw/zinc/01/54/84/1032015484.db2.gz ZMHJBOORUBZAJO-HOTGVXAUSA-N 1 3 331.891 4.296 20 0 EIADHO Brc1ccccc1CNCCCCC[NH+]1CCCCC1 ZINC000500889925 1033952340 /nfs/dbraw/zinc/95/23/40/1033952340.db2.gz MJSAUGDIPRSCPU-UHFFFAOYSA-N 1 3 339.321 4.195 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000333303412 1034627774 /nfs/dbraw/zinc/62/77/74/1034627774.db2.gz QLCMFRXPUSOVPY-XJKCOSOUSA-N 1 3 345.487 4.186 20 0 EIADHO CCC(CC)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000513414547 1034932615 /nfs/dbraw/zinc/93/26/15/1034932615.db2.gz OHAVKTNDUUTKGT-FPOVZHCZSA-N 1 3 336.564 4.357 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894242021 1035307917 /nfs/dbraw/zinc/30/79/17/1035307917.db2.gz QSHBQICFSUEPQO-CYBMUJFWSA-N 1 3 337.920 4.160 20 0 EIADHO CCC(CC)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000501008008 1035342973 /nfs/dbraw/zinc/34/29/73/1035342973.db2.gz OUOILPPHOBXNQC-QFIPXVFZSA-N 1 3 345.575 4.170 20 0 EIADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](CC)c1ccccc1 ZINC000501103161 1035378200 /nfs/dbraw/zinc/37/82/00/1035378200.db2.gz FXSMZVADRBDRNR-QFIPXVFZSA-N 1 3 345.575 4.266 20 0 EIADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](CC)c1ccccc1 ZINC000501103161 1035378204 /nfs/dbraw/zinc/37/82/04/1035378204.db2.gz FXSMZVADRBDRNR-QFIPXVFZSA-N 1 3 345.575 4.266 20 0 EIADHO CCN1CC[C@@H](C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000501427109 1035443483 /nfs/dbraw/zinc/44/34/83/1035443483.db2.gz VSRGTVVKGNWPIA-INIZCTEOSA-N 1 3 344.449 4.028 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526519 1036786823 /nfs/dbraw/zinc/78/68/23/1036786823.db2.gz HHOKKCMPDOCUNR-KDOFPFPSSA-N 1 3 332.488 4.326 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526519 1036786839 /nfs/dbraw/zinc/78/68/39/1036786839.db2.gz HHOKKCMPDOCUNR-KDOFPFPSSA-N 1 3 332.488 4.326 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000572712714 1036812166 /nfs/dbraw/zinc/81/21/66/1036812166.db2.gz YJJHZLRJULOQAC-QANKJYHBSA-N 1 3 343.902 4.489 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000572712713 1036812177 /nfs/dbraw/zinc/81/21/77/1036812177.db2.gz YJJHZLRJULOQAC-OWQGQXMQSA-N 1 3 343.902 4.489 20 0 EIADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC000414652227 1037673989 /nfs/dbraw/zinc/67/39/89/1037673989.db2.gz GRXVTSFACPKPTG-GFCCVEGCSA-N 1 3 340.414 4.215 20 0 EIADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000414673637 1037777789 /nfs/dbraw/zinc/77/77/89/1037777789.db2.gz PBHILGGOELGSMC-CYBMUJFWSA-N 1 3 341.480 4.116 20 0 EIADHO COc1cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422717316 1037814240 /nfs/dbraw/zinc/81/42/40/1037814240.db2.gz KQLDEQYVZVUOHS-BBWFWOEESA-N 1 3 342.483 4.051 20 0 EIADHO CCc1ccc([C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422759203 1037818547 /nfs/dbraw/zinc/81/85/47/1037818547.db2.gz FPXNKDCIYIGWQN-HRAATJIYSA-N 1 3 325.500 4.459 20 0 EIADHO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)c2ccc(CN)nc2C)c1C ZINC000422741507 1037821986 /nfs/dbraw/zinc/82/19/86/1037821986.db2.gz OQJGMKSMQMTUIC-HNNXBMFYSA-N 1 3 336.483 4.106 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000422751755 1037825710 /nfs/dbraw/zinc/82/57/10/1037825710.db2.gz ACJSUGRFBIKKMS-OAHLLOKOSA-N 1 3 343.540 4.463 20 0 EIADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)(C)c1ccccc1 ZINC000422784780 1037833281 /nfs/dbraw/zinc/83/32/81/1037833281.db2.gz OOGXLQYJNQUZEW-OXJNMPFZSA-N 1 3 325.500 4.256 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000422800114 1037835765 /nfs/dbraw/zinc/83/57/65/1037835765.db2.gz AUMPSWPXEUKPHC-NWDGAFQWSA-N 1 3 337.389 4.279 20 0 EIADHO Cc1cc(C)cc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422891480 1037868747 /nfs/dbraw/zinc/86/87/47/1037868747.db2.gz VKPCHDXDGVPKFG-RBDMOPTHSA-N 1 3 336.479 4.210 20 0 EIADHO CC[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1cccc(Cl)c1 ZINC000422927383 1037870975 /nfs/dbraw/zinc/87/09/75/1037870975.db2.gz GKJPMZSJTQCCLK-GUYCJALGSA-N 1 3 347.890 4.010 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC1(c2ccc(Cl)cc2)CCC1 ZINC000422936051 1037873899 /nfs/dbraw/zinc/87/38/99/1037873899.db2.gz HUMVEEVVFAHHLX-AWEZNQCLSA-N 1 3 329.875 4.232 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422942938 1037877826 /nfs/dbraw/zinc/87/78/26/1037877826.db2.gz XESSXWQFMVIWBZ-CQSZACIVSA-N 1 3 347.890 4.012 20 0 EIADHO C[C@@H]1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423004708 1037899110 /nfs/dbraw/zinc/89/91/10/1037899110.db2.gz PUOPICHTKZLICW-QSABTFIQSA-N 1 3 348.490 4.471 20 0 EIADHO N[C@H]1C[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000423095218 1037954674 /nfs/dbraw/zinc/95/46/74/1037954674.db2.gz LQOVSEIZJIOQAA-MMZJAPOHSA-N 1 3 330.834 4.402 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423099667 1037958737 /nfs/dbraw/zinc/95/87/37/1037958737.db2.gz MGEOSJPMBHURKK-YGONEPDPSA-N 1 3 347.865 4.238 20 0 EIADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423125916 1037972156 /nfs/dbraw/zinc/97/21/56/1037972156.db2.gz IMMHZPPTEPZQCR-AABGKKOBSA-N 1 3 344.886 4.067 20 0 EIADHO Cc1ccsc1CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414725637 1038058619 /nfs/dbraw/zinc/05/86/19/1038058619.db2.gz WPOBZUZQWCXBEP-KRWDZBQOSA-N 1 3 332.538 4.262 20 0 EIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423219275 1038061860 /nfs/dbraw/zinc/06/18/60/1038061860.db2.gz SZKPNLYKUGMAFF-ZRCAFCQKSA-N 1 3 326.484 4.277 20 0 EIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Br)cc1 ZINC000423291673 1038095705 /nfs/dbraw/zinc/09/57/05/1038095705.db2.gz JIVDCMMZFGBHIA-QWHCGFSZSA-N 1 3 333.273 4.320 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC000423290070 1038096502 /nfs/dbraw/zinc/09/65/02/1038096502.db2.gz CHEOENVLQACINH-CHWSQXEVSA-N 1 3 338.373 4.456 20 0 EIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC1(N)CCC1 ZINC000423323989 1038135256 /nfs/dbraw/zinc/13/52/56/1038135256.db2.gz JVIKBIBXQYIWBQ-NSHDSACASA-N 1 3 335.904 4.304 20 0 EIADHO Fc1ccc([C@H](NCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423344574 1038137360 /nfs/dbraw/zinc/13/73/60/1038137360.db2.gz NCSDUDJWJRYNGV-LJQANCHMSA-N 1 3 330.834 4.078 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000423370195 1038190049 /nfs/dbraw/zinc/19/00/49/1038190049.db2.gz FHXMZZHHMOTRTQ-MAZHCROVSA-N 1 3 345.512 4.048 20 0 EIADHO FCCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423467449 1038244405 /nfs/dbraw/zinc/24/44/05/1038244405.db2.gz IYTMEFHQWWHVNF-BWPNAZKDSA-N 1 3 336.470 4.027 20 0 EIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1OC(F)F ZINC000423497347 1038254007 /nfs/dbraw/zinc/25/40/07/1038254007.db2.gz GQSRXIZLNHLLKX-RHSMWYFYSA-N 1 3 334.410 4.419 20 0 EIADHO COc1ccc([C@H](N[C@@H]2CC[C@H](C[NH3+])C2)c2ccccc2Cl)cc1 ZINC000423502050 1038257098 /nfs/dbraw/zinc/25/70/98/1038257098.db2.gz JMFRYYKHUKJWOY-NBQZKYEYSA-N 1 3 344.886 4.155 20 0 EIADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2F)n1 ZINC000423484309 1038259576 /nfs/dbraw/zinc/25/95/76/1038259576.db2.gz QQUFETQSNUWWRW-KGLIPLIRSA-N 1 3 333.476 4.132 20 0 EIADHO CC1CCN(CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424268173 1038764652 /nfs/dbraw/zinc/76/46/52/1038764652.db2.gz ZKXJDEUQELHLJQ-LJQANCHMSA-N 1 3 343.540 4.139 20 0 EIADHO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCCN1CCCC1 ZINC000504905723 1038845867 /nfs/dbraw/zinc/84/58/67/1038845867.db2.gz MWZUXDMIQYEOHG-GJZGRUSLSA-N 1 3 328.422 4.273 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000480887607 1038853212 /nfs/dbraw/zinc/85/32/12/1038853212.db2.gz FMIFRNMICOYHPG-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C)cc2C)[C@@H](C)C1 ZINC000480887607 1038853217 /nfs/dbraw/zinc/85/32/17/1038853217.db2.gz FMIFRNMICOYHPG-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000119537632 1038930795 /nfs/dbraw/zinc/93/07/95/1038930795.db2.gz JGQFODPFQVWFRU-QGZVFWFLSA-N 1 3 330.516 4.100 20 0 EIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(c3ccccn3)CCC2)CC1 ZINC000552099516 1039156440 /nfs/dbraw/zinc/15/64/40/1039156440.db2.gz LLIRUVLYCGTCOQ-AZUAARDMSA-N 1 3 341.543 4.136 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(c3ccccn3)CCC2)CC1 ZINC000552099518 1039156988 /nfs/dbraw/zinc/15/69/88/1039156988.db2.gz LLIRUVLYCGTCOQ-QUCCMNQESA-N 1 3 341.543 4.136 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099420 1039157301 /nfs/dbraw/zinc/15/73/01/1039157301.db2.gz IEMODLIUSFRSPC-FIKGOQFSSA-N 1 3 348.494 4.267 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099420 1039157311 /nfs/dbraw/zinc/15/73/11/1039157311.db2.gz IEMODLIUSFRSPC-FIKGOQFSSA-N 1 3 348.494 4.267 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000481296892 1039234436 /nfs/dbraw/zinc/23/44/36/1039234436.db2.gz VCCUXHMRKYTHTC-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000534347039 1039336430 /nfs/dbraw/zinc/33/64/30/1039336430.db2.gz YUJBMRPUXWXFNR-UHFFFAOYSA-N 1 3 349.569 4.424 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000534347039 1039336458 /nfs/dbraw/zinc/33/64/58/1039336458.db2.gz YUJBMRPUXWXFNR-UHFFFAOYSA-N 1 3 349.569 4.424 20 0 EIADHO Cc1ccc([C@H](C)NCc2ccccc2OCC[NH+](C)C)c(C)c1 ZINC000122367648 1039680786 /nfs/dbraw/zinc/68/07/86/1039680786.db2.gz GAIVDGVTGLBBIE-SFHVURJKSA-N 1 3 326.484 4.095 20 0 EIADHO CSc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007501 1039860579 /nfs/dbraw/zinc/86/05/79/1039860579.db2.gz PDDBFXQQLZHQQE-ICSRJNTNSA-N 1 3 326.509 4.334 20 0 EIADHO CSc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551007501 1039860581 /nfs/dbraw/zinc/86/05/81/1039860581.db2.gz PDDBFXQQLZHQQE-ICSRJNTNSA-N 1 3 326.509 4.334 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000482360659 1040201965 /nfs/dbraw/zinc/20/19/65/1040201965.db2.gz PWNPKNDLFDULPH-GJZGRUSLSA-N 1 3 344.421 4.356 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000482434329 1040242882 /nfs/dbraw/zinc/24/28/82/1040242882.db2.gz FNKLMMJLDYXELO-PKOBYXMFSA-N 1 3 326.459 4.041 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461728 1040367107 /nfs/dbraw/zinc/36/71/07/1040367107.db2.gz DLJDMMGEBSUECV-DENIHFKCSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461728 1040367123 /nfs/dbraw/zinc/36/71/23/1040367123.db2.gz DLJDMMGEBSUECV-DENIHFKCSA-N 1 3 338.495 4.258 20 0 EIADHO c1ccc(N2CCC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000483123060 1040716221 /nfs/dbraw/zinc/71/62/21/1040716221.db2.gz DDNJJLAUXSOVBJ-HXUWFJFHSA-N 1 3 341.543 4.042 20 0 EIADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccccc1OC(F)F ZINC000483188969 1040762166 /nfs/dbraw/zinc/76/21/66/1040762166.db2.gz YHOXJVZEFABAIP-BBRMVZONSA-N 1 3 328.447 4.305 20 0 EIADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539828134 1040824005 /nfs/dbraw/zinc/82/40/05/1040824005.db2.gz BMCMMDSPXVUQRA-LJQANCHMSA-N 1 3 326.459 4.088 20 0 EIADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539828134 1040824010 /nfs/dbraw/zinc/82/40/10/1040824010.db2.gz BMCMMDSPXVUQRA-LJQANCHMSA-N 1 3 326.459 4.088 20 0 EIADHO CC(C)(C[NH2+]C1CCC(c2ccc(O)cc2)CC1)CN1CCCC1 ZINC000483417907 1040847821 /nfs/dbraw/zinc/84/78/21/1040847821.db2.gz YXVMZCJXJSZELG-UHFFFAOYSA-N 1 3 330.516 4.130 20 0 EIADHO CCCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000539851866 1040849503 /nfs/dbraw/zinc/84/95/03/1040849503.db2.gz FQJYGYFAEKKOLE-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000537883087 1040871278 /nfs/dbraw/zinc/87/12/78/1040871278.db2.gz QQVZAXXVLDWKCE-BRWVUGGUSA-N 1 3 349.588 4.431 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(Br)c21 ZINC000483734454 1040987782 /nfs/dbraw/zinc/98/77/82/1040987782.db2.gz XDQFQMGZLSZLQF-DVZHBHJUSA-N 1 3 337.305 4.070 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(Br)c21 ZINC000483734454 1040987806 /nfs/dbraw/zinc/98/78/06/1040987806.db2.gz XDQFQMGZLSZLQF-DVZHBHJUSA-N 1 3 337.305 4.070 20 0 EIADHO Fc1cccc2[nH]c(CNCc3cccc(C[NH+]4CCCC4)c3)cc21 ZINC000436283443 1041026572 /nfs/dbraw/zinc/02/65/72/1041026572.db2.gz VHCXALQAZJIHMO-UHFFFAOYSA-N 1 3 337.442 4.193 20 0 EIADHO c1ccc(C[C@H]2CC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000436299781 1041069486 /nfs/dbraw/zinc/06/94/86/1041069486.db2.gz HKHPKHDORIPZHP-CTNGQTDRSA-N 1 3 326.528 4.394 20 0 EIADHO C[NH+](C)CCC1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000515775137 1041090769 /nfs/dbraw/zinc/09/07/69/1041090769.db2.gz BSAJLPPZBIRWOA-UHFFFAOYSA-N 1 3 345.314 4.036 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148274 1041194171 /nfs/dbraw/zinc/19/41/71/1041194171.db2.gz YKEWNEZPRJDYCY-JXFKEZNVSA-N 1 3 326.509 4.268 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148274 1041194181 /nfs/dbraw/zinc/19/41/81/1041194181.db2.gz YKEWNEZPRJDYCY-JXFKEZNVSA-N 1 3 326.509 4.268 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000484292350 1041194360 /nfs/dbraw/zinc/19/43/60/1041194360.db2.gz CVCIYOQSEOWRJX-QWHCGFSZSA-N 1 3 333.303 4.001 20 0 EIADHO c1cc2cc(CNCc3ccccc3C[NH+]3CCCCC3)ccc2[nH]1 ZINC000515866718 1041229640 /nfs/dbraw/zinc/22/96/40/1041229640.db2.gz AQCBMYSXKRUYOL-UHFFFAOYSA-N 1 3 333.479 4.444 20 0 EIADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000540199436 1041258803 /nfs/dbraw/zinc/25/88/03/1041258803.db2.gz VIFGBWPMPRMFLN-GOSISDBHSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000540199436 1041258817 /nfs/dbraw/zinc/25/88/17/1041258817.db2.gz VIFGBWPMPRMFLN-GOSISDBHSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000540199436 1041258833 /nfs/dbraw/zinc/25/88/33/1041258833.db2.gz VIFGBWPMPRMFLN-GOSISDBHSA-N 1 3 340.433 4.369 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c2ccccc12 ZINC000484496510 1041303073 /nfs/dbraw/zinc/30/30/73/1041303073.db2.gz RMDHTRPAXXILHP-ULQDDVLXSA-N 1 3 326.484 4.372 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c2ccccc12 ZINC000484496510 1041303087 /nfs/dbraw/zinc/30/30/87/1041303087.db2.gz RMDHTRPAXXILHP-ULQDDVLXSA-N 1 3 326.484 4.372 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2c1cccc2OC ZINC000480473253 1041327923 /nfs/dbraw/zinc/32/79/23/1041327923.db2.gz SNFDFLZJMDHDLU-OAQYLSRUSA-N 1 3 338.495 4.314 20 0 EIADHO Fc1ccc(CC[NH+]2CCC(NC/C=C/c3ccccc3)CC2)cc1 ZINC000463128415 1041350651 /nfs/dbraw/zinc/35/06/51/1041350651.db2.gz QPXNSRVPUVXMGF-QPJJXVBHSA-N 1 3 338.470 4.136 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000667706283 1041421876 /nfs/dbraw/zinc/42/18/76/1041421876.db2.gz WBQTYGYDSJMMNF-MOPGFXCFSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000667706283 1041421880 /nfs/dbraw/zinc/42/18/80/1041421880.db2.gz WBQTYGYDSJMMNF-MOPGFXCFSA-N 1 3 341.524 4.035 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480669411 1041461732 /nfs/dbraw/zinc/46/17/32/1041461732.db2.gz WOZCBRVWDMKCSV-VDHUWJSZSA-N 1 3 340.433 4.075 20 0 EIADHO C[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000480669411 1041461737 /nfs/dbraw/zinc/46/17/37/1041461737.db2.gz WOZCBRVWDMKCSV-VDHUWJSZSA-N 1 3 340.433 4.075 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000425914707 1041933105 /nfs/dbraw/zinc/93/31/05/1041933105.db2.gz CEVRMQYTJOCBSJ-SJORKVTESA-N 1 3 326.484 4.211 20 0 EIADHO FC1(F)CC(C[NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000425940697 1042017849 /nfs/dbraw/zinc/01/78/49/1042017849.db2.gz XNIPNMOUVJKIMA-VAMGGRTRSA-N 1 3 348.481 4.312 20 0 EIADHO c1ccc(OCCCCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000438132263 1042059690 /nfs/dbraw/zinc/05/96/90/1042059690.db2.gz YJQWRVYEXPEWEX-FQEVSTJZSA-N 1 3 330.516 4.044 20 0 EIADHO c1ccc(OCCCCC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000438132263 1042059698 /nfs/dbraw/zinc/05/96/98/1042059698.db2.gz YJQWRVYEXPEWEX-FQEVSTJZSA-N 1 3 330.516 4.044 20 0 EIADHO c1ccc(OCCCCC[N@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000438132263 1042059700 /nfs/dbraw/zinc/05/97/00/1042059700.db2.gz YJQWRVYEXPEWEX-FQEVSTJZSA-N 1 3 330.516 4.044 20 0 EIADHO CSc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178591215 1042869686 /nfs/dbraw/zinc/86/96/86/1042869686.db2.gz NEIKHWULHLYBFB-MRXNPFEDSA-N 1 3 344.524 4.200 20 0 EIADHO CSc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178591205 1042869840 /nfs/dbraw/zinc/86/98/40/1042869840.db2.gz NEIKHWULHLYBFB-INIZCTEOSA-N 1 3 344.524 4.200 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000067450037 1043041668 /nfs/dbraw/zinc/04/16/68/1043041668.db2.gz ZHXSYLAVYGVLQO-UHFFFAOYSA-N 1 3 348.494 4.002 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(-n3cccn3)cc2)c1 ZINC000067450037 1043041671 /nfs/dbraw/zinc/04/16/71/1043041671.db2.gz ZHXSYLAVYGVLQO-UHFFFAOYSA-N 1 3 348.494 4.002 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000174992596 1043425526 /nfs/dbraw/zinc/42/55/26/1043425526.db2.gz RXWVFEUKJYKOPX-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000174992596 1043425535 /nfs/dbraw/zinc/42/55/35/1043425535.db2.gz RXWVFEUKJYKOPX-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665281023 1043647802 /nfs/dbraw/zinc/64/78/02/1043647802.db2.gz RYJFFJKEHMBISE-BLLLJJGKSA-N 1 3 335.492 4.282 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)NCC[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000665281014 1043649901 /nfs/dbraw/zinc/64/99/01/1043649901.db2.gz RNNHGUSYWWZBJU-SUMWQHHRSA-N 1 3 347.528 4.151 20 0 EIADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665283666 1043687495 /nfs/dbraw/zinc/68/74/95/1043687495.db2.gz RYTLIWNDYGFXNR-XJUOHMSHSA-N 1 3 348.490 4.218 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000474033791 1043692778 /nfs/dbraw/zinc/69/27/78/1043692778.db2.gz LUTFVOUQTQHRJI-OXQOHEQNSA-N 1 3 330.516 4.128 20 0 EIADHO S=c1ccn(C[NH+]2CCC(N3CCCCC3)CC2)c2ccccc12 ZINC000731659132 1043809552 /nfs/dbraw/zinc/80/95/52/1043809552.db2.gz QRWUJSOKKNRDQG-UHFFFAOYSA-N 1 3 341.524 4.279 20 0 EIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2ccc3[nH]ccc3c2)CC1 ZINC000442811726 1043852746 /nfs/dbraw/zinc/85/27/46/1043852746.db2.gz PHIGMUBRCVUVIN-JTSKRJEESA-N 1 3 339.527 4.343 20 0 EIADHO CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCC1 ZINC000658162147 1043922926 /nfs/dbraw/zinc/92/29/26/1043922926.db2.gz BWRHQNJPJMOYJB-OAQYLSRUSA-N 1 3 329.532 4.242 20 0 EIADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2c2ccccc2)CC1 ZINC000192723422 1043955700 /nfs/dbraw/zinc/95/57/00/1043955700.db2.gz JKNDZPMLFULORP-QFIPXVFZSA-N 1 3 343.559 4.020 20 0 EIADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2c2ccccc2)CC1 ZINC000192723422 1043955722 /nfs/dbraw/zinc/95/57/22/1043955722.db2.gz JKNDZPMLFULORP-QFIPXVFZSA-N 1 3 343.559 4.020 20 0 EIADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000069645321 1044369502 /nfs/dbraw/zinc/36/95/02/1044369502.db2.gz SRNHPZSJNZNYES-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO Clc1cccc2c1C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001168719150 1044408847 /nfs/dbraw/zinc/40/88/47/1044408847.db2.gz UYAWVCYYPGIPQX-VQIMIIECSA-N 1 3 344.930 4.218 20 0 EIADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001168719150 1044408855 /nfs/dbraw/zinc/40/88/55/1044408855.db2.gz UYAWVCYYPGIPQX-VQIMIIECSA-N 1 3 344.930 4.218 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000675897596 1044544132 /nfs/dbraw/zinc/54/41/32/1044544132.db2.gz HEQAPAHQZUHIOA-AEFFLSMTSA-N 1 3 340.433 4.054 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000675897596 1044544142 /nfs/dbraw/zinc/54/41/42/1044544142.db2.gz HEQAPAHQZUHIOA-AEFFLSMTSA-N 1 3 340.433 4.054 20 0 EIADHO CC[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)s1 ZINC000675880108 1044553022 /nfs/dbraw/zinc/55/30/22/1044553022.db2.gz BFKIJGVEYVYTMH-LSDHHAIUSA-N 1 3 342.936 4.086 20 0 EIADHO COc1ccc(-c2nc(CNC(C)(C)CCC[NH+](C)C)cs2)cc1 ZINC000648752660 1044784679 /nfs/dbraw/zinc/78/46/79/1044784679.db2.gz GEEQYMDRXPUMPG-UHFFFAOYSA-N 1 3 347.528 4.029 20 0 EIADHO Fc1cc2c(c(F)c1)CC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000154531839 1044945584 /nfs/dbraw/zinc/94/55/84/1044945584.db2.gz HMJUUNNVYHCEFY-OAQYLSRUSA-N 1 3 342.433 4.338 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000347913514 1044998562 /nfs/dbraw/zinc/99/85/62/1044998562.db2.gz AEMWYYDXMLOGKU-ROUUACIJSA-N 1 3 340.515 4.096 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000347913514 1044998581 /nfs/dbraw/zinc/99/85/81/1044998581.db2.gz AEMWYYDXMLOGKU-ROUUACIJSA-N 1 3 340.515 4.096 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000509069627 1045054681 /nfs/dbraw/zinc/05/46/81/1045054681.db2.gz LDCIJLFNCAIJGV-JTHBVZDNSA-N 1 3 334.507 4.235 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000509069627 1045054697 /nfs/dbraw/zinc/05/46/97/1045054697.db2.gz LDCIJLFNCAIJGV-JTHBVZDNSA-N 1 3 334.507 4.235 20 0 EIADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]C3CCCC3)CC2)cc1 ZINC000915229719 1045202474 /nfs/dbraw/zinc/20/24/74/1045202474.db2.gz OMNADBBHCKDFAJ-UHFFFAOYSA-N 1 3 349.522 4.041 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398025058 1045823721 /nfs/dbraw/zinc/82/37/21/1045823721.db2.gz CATARXGKWSWIJB-NPPFBWRTSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398025058 1045823727 /nfs/dbraw/zinc/82/37/27/1045823727.db2.gz CATARXGKWSWIJB-NPPFBWRTSA-N 1 3 338.495 4.256 20 0 EIADHO Cn1cccc1CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000161747753 1046030836 /nfs/dbraw/zinc/03/08/36/1046030836.db2.gz JQDYPHHKPYDOSX-UHFFFAOYSA-N 1 3 325.500 4.079 20 0 EIADHO Cn1cccc1CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000161747753 1046030852 /nfs/dbraw/zinc/03/08/52/1046030852.db2.gz JQDYPHHKPYDOSX-UHFFFAOYSA-N 1 3 325.500 4.079 20 0 EIADHO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508723245 1046424346 /nfs/dbraw/zinc/42/43/46/1046424346.db2.gz WBJJWFWXQRAXMO-MJGOQNOKSA-N 1 3 338.470 4.315 20 0 EIADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1nc(C(C)(C)C)cs1 ZINC000459401753 1046598873 /nfs/dbraw/zinc/59/88/73/1046598873.db2.gz DXMOQFSKLMGSPV-AWEZNQCLSA-N 1 3 344.528 4.155 20 0 EIADHO CCOc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379643034 1046738241 /nfs/dbraw/zinc/73/82/41/1046738241.db2.gz ASJQLZYYGUZDMV-NQIIRXRSSA-N 1 3 338.495 4.228 20 0 EIADHO CCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379643034 1046738257 /nfs/dbraw/zinc/73/82/57/1046738257.db2.gz ASJQLZYYGUZDMV-NQIIRXRSSA-N 1 3 338.495 4.228 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(F)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644787 1046738887 /nfs/dbraw/zinc/73/88/87/1046738887.db2.gz CPYLNOWWZTYXQS-BSLALVQMSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(F)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644787 1046738895 /nfs/dbraw/zinc/73/88/95/1046738895.db2.gz CPYLNOWWZTYXQS-BSLALVQMSA-N 1 3 338.470 4.456 20 0 EIADHO Clc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)OCC2CC2)cc1 ZINC000459543280 1046765963 /nfs/dbraw/zinc/76/59/63/1046765963.db2.gz LJCQJKQQVLPRNI-FQEVSTJZSA-N 1 3 348.918 4.024 20 0 EIADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000536855973 1046826188 /nfs/dbraw/zinc/82/61/88/1046826188.db2.gz CVIQTDCLMNLHJN-MXNKGDRCSA-N 1 3 344.543 4.110 20 0 EIADHO C[C@@H](NCc1cnc2ccccc2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000536856945 1046827071 /nfs/dbraw/zinc/82/70/71/1046827071.db2.gz JCFWHSQYHMXORR-QGZVFWFLSA-N 1 3 349.478 4.026 20 0 EIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536860660 1046828159 /nfs/dbraw/zinc/82/81/59/1046828159.db2.gz ZWJDLMMTJZEWTK-NUJGCVRESA-N 1 3 344.499 4.281 20 0 EIADHO CC(C)[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000536961940 1046870615 /nfs/dbraw/zinc/87/06/15/1046870615.db2.gz VMVPKWCRSKGGDB-BEFAXECRSA-N 1 3 345.487 4.085 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000788482681 1047214910 /nfs/dbraw/zinc/21/49/10/1047214910.db2.gz QLFJBWRDWADLMA-MSOLQXFVSA-N 1 3 338.561 4.148 20 0 EIADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)[C@H](C)C1 ZINC000536853815 1047390213 /nfs/dbraw/zinc/39/02/13/1047390213.db2.gz VKXIFJNBZJUDMT-NQIIRXRSSA-N 1 3 338.495 4.086 20 0 EIADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000129559038 1047430573 /nfs/dbraw/zinc/43/05/73/1047430573.db2.gz XDIOEDIIAWMGDD-WBVHZDCISA-N 1 3 332.454 4.352 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000550629449 1047782501 /nfs/dbraw/zinc/78/25/01/1047782501.db2.gz QVJGVMBURCECDX-KZNAEPCWSA-N 1 3 330.516 4.104 20 0 EIADHO C[C@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1(Cl)Cl ZINC000824971538 1048011895 /nfs/dbraw/zinc/01/18/95/1048011895.db2.gz SWKIQCWAHZRGIZ-INIZCTEOSA-N 1 3 333.347 4.347 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887848 1048100800 /nfs/dbraw/zinc/10/08/00/1048100800.db2.gz MGQXTUWWPAZQGA-BHIYHBOVSA-N 1 3 334.454 4.065 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000556887848 1048100808 /nfs/dbraw/zinc/10/08/08/1048100808.db2.gz MGQXTUWWPAZQGA-BHIYHBOVSA-N 1 3 334.454 4.065 20 0 EIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170755457 1048109162 /nfs/dbraw/zinc/10/91/62/1048109162.db2.gz BSVCCCSJIMCBAZ-MZADTFQBSA-N 1 3 326.528 4.408 20 0 EIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170755457 1048109166 /nfs/dbraw/zinc/10/91/66/1048109166.db2.gz BSVCCCSJIMCBAZ-MZADTFQBSA-N 1 3 326.528 4.408 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815622219 1048547595 /nfs/dbraw/zinc/54/75/95/1048547595.db2.gz PRERQPXJGDLASI-HKUYNNGSSA-N 1 3 326.459 4.307 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815622219 1048547609 /nfs/dbraw/zinc/54/76/09/1048547609.db2.gz PRERQPXJGDLASI-HKUYNNGSSA-N 1 3 326.459 4.307 20 0 EIADHO Cc1ccc(C)c([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817894617 1049054730 /nfs/dbraw/zinc/05/47/30/1049054730.db2.gz NLLVCODARRYFIL-XJABCFGWSA-N 1 3 336.479 4.210 20 0 EIADHO CCOc1cccc2cc([C@@H](C)NCc3ccc(CC[NH3+])cc3)oc21 ZINC000817948397 1049063271 /nfs/dbraw/zinc/06/32/71/1049063271.db2.gz IWVLOSURJXRCER-OAHLLOKOSA-N 1 3 338.451 4.184 20 0 EIADHO CC[C@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1OC(F)F ZINC000817949195 1049064251 /nfs/dbraw/zinc/06/42/51/1049064251.db2.gz NNUYNZZFIWRKTC-KRWDZBQOSA-N 1 3 334.410 4.030 20 0 EIADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1SC(F)F ZINC000817960098 1049069741 /nfs/dbraw/zinc/06/97/41/1049069741.db2.gz KNYMNEZWLGMZAZ-FPMFFAJLSA-N 1 3 344.471 4.178 20 0 EIADHO CC(C)CC[NH+]1CCC(CNCc2ccnc(Cl)c2Cl)CC1 ZINC000811483732 1049080828 /nfs/dbraw/zinc/08/08/28/1049080828.db2.gz OBVCURFUTACJGO-UHFFFAOYSA-N 1 3 344.330 4.236 20 0 EIADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001170911694 1049197371 /nfs/dbraw/zinc/19/73/71/1049197371.db2.gz YYHOOGKFXXNNGT-LJQANCHMSA-N 1 3 346.946 4.442 20 0 EIADHO C[NH+](C)CC[C@H](N[C@@H]1CCc2cc(F)c(F)cc2C1)c1ccccc1 ZINC001171454971 1049709453 /nfs/dbraw/zinc/70/94/53/1049709453.db2.gz XXYISNKAVNGLTM-NQIIRXRSSA-N 1 3 344.449 4.105 20 0 EIADHO Cc1cccc2c1CC[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001171563778 1049756099 /nfs/dbraw/zinc/75/60/99/1049756099.db2.gz MJMSILRNFOCPAX-UGKGYDQZSA-N 1 3 338.539 4.263 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(Oc3ccccc3)CC2)CC1(C)C ZINC001171630812 1049762461 /nfs/dbraw/zinc/76/24/61/1049762461.db2.gz CJJQLJRTQIIPLE-UHFFFAOYSA-N 1 3 330.516 4.181 20 0 EIADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3ccccc3)CC2)CC1(C)C ZINC001171630812 1049762466 /nfs/dbraw/zinc/76/24/66/1049762466.db2.gz CJJQLJRTQIIPLE-UHFFFAOYSA-N 1 3 330.516 4.181 20 0 EIADHO CC(C)Oc1ccc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171622971 1049768519 /nfs/dbraw/zinc/76/85/19/1049768519.db2.gz FOJXRXNIXQYVDT-UHFFFAOYSA-N 1 3 332.532 4.257 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706774 1049775795 /nfs/dbraw/zinc/77/57/95/1049775795.db2.gz MACDXJRERGAPMZ-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706774 1049775803 /nfs/dbraw/zinc/77/58/03/1049775803.db2.gz MACDXJRERGAPMZ-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706774 1049775810 /nfs/dbraw/zinc/77/58/10/1049775810.db2.gz MACDXJRERGAPMZ-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706774 1049775818 /nfs/dbraw/zinc/77/58/18/1049775818.db2.gz MACDXJRERGAPMZ-GBESFXJTSA-N 1 3 348.481 4.161 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(c3cccc(O)c3)CC2)CC1(C)C ZINC001171641344 1049778750 /nfs/dbraw/zinc/77/87/50/1049778750.db2.gz PGKFUFDETZRDBB-UHFFFAOYSA-N 1 3 330.516 4.223 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000245605363 1049794778 /nfs/dbraw/zinc/79/47/78/1049794778.db2.gz QWFCCIPQIIGIAQ-DQYPLSBCSA-N 1 3 326.406 4.229 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000245605363 1049794786 /nfs/dbraw/zinc/79/47/86/1049794786.db2.gz QWFCCIPQIIGIAQ-DQYPLSBCSA-N 1 3 326.406 4.229 20 0 EIADHO C[N@H+]([C@H]1Cc2cccc(F)c2C1)C1CCN(C2CCCCC2)CC1 ZINC001171812147 1049809487 /nfs/dbraw/zinc/80/94/87/1049809487.db2.gz LIXFTXGDHWSXSL-IBGZPJMESA-N 1 3 330.491 4.022 20 0 EIADHO C[N@@H+]([C@H]1Cc2cccc(F)c2C1)C1CCN(C2CCCCC2)CC1 ZINC001171812147 1049809489 /nfs/dbraw/zinc/80/94/89/1049809489.db2.gz LIXFTXGDHWSXSL-IBGZPJMESA-N 1 3 330.491 4.022 20 0 EIADHO Cc1ncccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000813790225 1049816301 /nfs/dbraw/zinc/81/63/01/1049816301.db2.gz KQSLYPZDXVNEIY-FRIKZZABSA-N 1 3 335.495 4.065 20 0 EIADHO CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2)CCN1Cc1ccccc1 ZINC001171966221 1049826480 /nfs/dbraw/zinc/82/64/80/1049826480.db2.gz UGHPQZJAGMRFAY-HXUWFJFHSA-N 1 3 326.459 4.359 20 0 EIADHO CN(C[C@@H]1CCCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076438 1049843869 /nfs/dbraw/zinc/84/38/69/1049843869.db2.gz YOKNTWVFPLFCQJ-CBPXPLCBSA-N 1 3 342.527 4.073 20 0 EIADHO CN(C[C@@H]1CCCCO1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076438 1049843870 /nfs/dbraw/zinc/84/38/70/1049843870.db2.gz YOKNTWVFPLFCQJ-CBPXPLCBSA-N 1 3 342.527 4.073 20 0 EIADHO CCN(Cc1ccccc1)C1CC[NH+]([C@H](C)CCOC(C)C)CC1 ZINC001172447084 1049915158 /nfs/dbraw/zinc/91/51/58/1049915158.db2.gz AMKFOBVDLXRFCK-LJQANCHMSA-N 1 3 332.532 4.177 20 0 EIADHO c1ccc(OCc2cccc(C[NH2+]CCCN3CCCCC3)c2)cc1 ZINC001177136604 1050154282 /nfs/dbraw/zinc/15/42/82/1050154282.db2.gz SJEIDHMGVAYGEP-UHFFFAOYSA-N 1 3 338.495 4.231 20 0 EIADHO FC(F)Oc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC001177136595 1050155040 /nfs/dbraw/zinc/15/50/40/1050155040.db2.gz RXDUCASODMXZFU-UHFFFAOYSA-N 1 3 346.421 4.174 20 0 EIADHO CC[NH+](CC)C1CCC(NCc2c(F)cc(Cl)cc2F)CC1 ZINC001173103993 1050304488 /nfs/dbraw/zinc/30/44/88/1050304488.db2.gz ZBOANJQIKYSXQA-UHFFFAOYSA-N 1 3 330.850 4.361 20 0 EIADHO CC[NH+](CC)C1CCC(NCc2c(Cl)cncc2Cl)CC1 ZINC001173104413 1050306292 /nfs/dbraw/zinc/30/62/92/1050306292.db2.gz NTBJXQOWMVAATC-UHFFFAOYSA-N 1 3 330.303 4.131 20 0 EIADHO CCc1ccc(C[C@@H](C)N2CCC([NH3+])(Cc3ccccc3)CC2)cc1 ZINC001173249202 1050376401 /nfs/dbraw/zinc/37/64/01/1050376401.db2.gz KGZYYBHVHBGKKZ-LJQANCHMSA-N 1 3 336.523 4.216 20 0 EIADHO CCSC[C@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001173295229 1050398385 /nfs/dbraw/zinc/39/83/85/1050398385.db2.gz KDIDFQHYGLOBEE-HNNXBMFYSA-N 1 3 340.964 4.283 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001178284841 1050428958 /nfs/dbraw/zinc/42/89/58/1050428958.db2.gz CTZVDLJPZFNAEF-RJGXRXQPSA-N 1 3 334.507 4.385 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001178284841 1050428966 /nfs/dbraw/zinc/42/89/66/1050428966.db2.gz CTZVDLJPZFNAEF-RJGXRXQPSA-N 1 3 334.507 4.385 20 0 EIADHO CCSC[C@H](C)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173316897 1050439321 /nfs/dbraw/zinc/43/93/21/1050439321.db2.gz ZXJXFAKGJBTVDR-ICSRJNTNSA-N 1 3 332.557 4.116 20 0 EIADHO CCSC[C@H](C)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173316897 1050439336 /nfs/dbraw/zinc/43/93/36/1050439336.db2.gz ZXJXFAKGJBTVDR-ICSRJNTNSA-N 1 3 332.557 4.116 20 0 EIADHO CCSC[C@@H](C)N1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173316899 1050440082 /nfs/dbraw/zinc/44/00/82/1050440082.db2.gz ZXJXFAKGJBTVDR-UYAOXDASSA-N 1 3 332.557 4.116 20 0 EIADHO CCSC[C@@H](C)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173316899 1050440085 /nfs/dbraw/zinc/44/00/85/1050440085.db2.gz ZXJXFAKGJBTVDR-UYAOXDASSA-N 1 3 332.557 4.116 20 0 EIADHO Cc1ccccc1N(C)c1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206200336 1050455477 /nfs/dbraw/zinc/45/54/77/1050455477.db2.gz RDIFAKHMJAFRJT-PMACEKPBSA-N 1 3 341.474 4.024 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC[C@H]1CCCN1C ZINC001173540377 1050476004 /nfs/dbraw/zinc/47/60/04/1050476004.db2.gz WMLPRIWYNPAOML-DZGCQCFKSA-N 1 3 329.315 4.388 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173553721 1050481627 /nfs/dbraw/zinc/48/16/27/1050481627.db2.gz XZAUYNIFUIXASL-BMFZPTHFSA-N 1 3 341.326 4.198 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173553721 1050481631 /nfs/dbraw/zinc/48/16/31/1050481631.db2.gz XZAUYNIFUIXASL-BMFZPTHFSA-N 1 3 341.326 4.198 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001173550593 1050487751 /nfs/dbraw/zinc/48/77/51/1050487751.db2.gz MBDQHBDUDQOZBN-AWEZNQCLSA-N 1 3 341.326 4.342 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccccc2N(C)C)c1 ZINC000093943470 1050724612 /nfs/dbraw/zinc/72/46/12/1050724612.db2.gz HTUKOQPYQCKDGL-GOSISDBHSA-N 1 3 339.527 4.444 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccccc2N(C)C)c1 ZINC000093943470 1050724621 /nfs/dbraw/zinc/72/46/21/1050724621.db2.gz HTUKOQPYQCKDGL-GOSISDBHSA-N 1 3 339.527 4.444 20 0 EIADHO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC001180540032 1051029900 /nfs/dbraw/zinc/02/99/00/1051029900.db2.gz FVJWQLOCJVAOIS-FCHUYYIVSA-N 1 3 326.528 4.447 20 0 EIADHO C[C@@]1(c2ccccc2)CC[C@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001180540032 1051029914 /nfs/dbraw/zinc/02/99/14/1051029914.db2.gz FVJWQLOCJVAOIS-FCHUYYIVSA-N 1 3 326.528 4.447 20 0 EIADHO Cc1cnccc1Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1 ZINC001174539261 1051031804 /nfs/dbraw/zinc/03/18/04/1051031804.db2.gz ZYAMRGYSWWXDOW-LJQANCHMSA-N 1 3 329.447 4.133 20 0 EIADHO Cc1cnccc1Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001174539261 1051031816 /nfs/dbraw/zinc/03/18/16/1051031816.db2.gz ZYAMRGYSWWXDOW-LJQANCHMSA-N 1 3 329.447 4.133 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)ccc1OC ZINC000775365985 1051134851 /nfs/dbraw/zinc/13/48/51/1051134851.db2.gz RTAJJTMJTSOFIH-IRXDYDNUSA-N 1 3 344.499 4.412 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2ccsc2)ccc1OC ZINC000775365187 1051135380 /nfs/dbraw/zinc/13/53/80/1051135380.db2.gz PAHFXVCTRHNTAA-INIZCTEOSA-N 1 3 346.540 4.492 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)cc1CN1CCCCC1 ZINC000775412112 1051273784 /nfs/dbraw/zinc/27/37/84/1051273784.db2.gz RXHHUVYEUOGOEK-YLJYHZDGSA-N 1 3 328.500 4.440 20 0 EIADHO C[NH+]1CCC2(CCN(CCc3cccc(Cl)c3Cl)CC2)CC1 ZINC001175211230 1051445100 /nfs/dbraw/zinc/44/51/00/1051445100.db2.gz LGKKXWVRRMRVDV-UHFFFAOYSA-N 1 3 341.326 4.344 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@@H]1C ZINC001191417131 1051453001 /nfs/dbraw/zinc/45/30/01/1051453001.db2.gz NMPYNGKWAVSPED-KBXCAEBGSA-N 1 3 331.891 4.193 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@@H]1C ZINC001191417131 1051453003 /nfs/dbraw/zinc/45/30/03/1051453003.db2.gz NMPYNGKWAVSPED-KBXCAEBGSA-N 1 3 331.891 4.193 20 0 EIADHO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000311188774 1051469029 /nfs/dbraw/zinc/46/90/29/1051469029.db2.gz DJWVWNJTRNVTPU-UYAOXDASSA-N 1 3 338.495 4.176 20 0 EIADHO Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1C ZINC001182817343 1051719322 /nfs/dbraw/zinc/71/93/22/1051719322.db2.gz SKGSCOPHILUZSF-VXNXHJTFSA-N 1 3 348.534 4.489 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2c(C)nsc2C)CC1)CC1CC1 ZINC001192499435 1051746350 /nfs/dbraw/zinc/74/63/50/1051746350.db2.gz CASVYWRPLDYCMC-UHFFFAOYSA-N 1 3 335.561 4.094 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2c(C)nsc2C)CC1)CC1CC1 ZINC001192499435 1051746362 /nfs/dbraw/zinc/74/63/62/1051746362.db2.gz CASVYWRPLDYCMC-UHFFFAOYSA-N 1 3 335.561 4.094 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1)N(C)C ZINC001183105097 1051790352 /nfs/dbraw/zinc/79/03/52/1051790352.db2.gz YHHIGUYBXBWQEK-NWDGAFQWSA-N 1 3 336.829 4.220 20 0 EIADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)C[C@H]2C1 ZINC001184303254 1051982395 /nfs/dbraw/zinc/98/23/95/1051982395.db2.gz NZSBTSAGSRRTRN-JJRVBVJISA-N 1 3 344.396 4.007 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166011369 1052082027 /nfs/dbraw/zinc/08/20/27/1052082027.db2.gz QJXPYHUQLBFOPO-DYXWJJEUSA-N 1 3 330.516 4.008 20 0 EIADHO c1cc2c(s1)CCC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336707956 1052512768 /nfs/dbraw/zinc/51/27/68/1052512768.db2.gz JFXYQAFAHHBICT-PKOBYXMFSA-N 1 3 326.509 4.237 20 0 EIADHO c1cc2c(s1)CCC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336707956 1052512776 /nfs/dbraw/zinc/51/27/76/1052512776.db2.gz JFXYQAFAHHBICT-PKOBYXMFSA-N 1 3 326.509 4.237 20 0 EIADHO COc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000623343448 1052626723 /nfs/dbraw/zinc/62/67/23/1052626723.db2.gz TZUCQQBFYYQEPU-UHFFFAOYSA-N 1 3 344.886 4.234 20 0 EIADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(C)ccc1C ZINC000623921246 1052838053 /nfs/dbraw/zinc/83/80/53/1052838053.db2.gz PDKMPSGIHCIGDA-BDTNDASRSA-N 1 3 344.543 4.112 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c2ccccc12 ZINC000624119587 1052867888 /nfs/dbraw/zinc/86/78/88/1052867888.db2.gz FNMQOZKBFSLDEJ-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)c2ccccc12 ZINC000624119587 1052867890 /nfs/dbraw/zinc/86/78/90/1052867890.db2.gz FNMQOZKBFSLDEJ-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c2ccccc12 ZINC000624119587 1052867892 /nfs/dbraw/zinc/86/78/92/1052867892.db2.gz FNMQOZKBFSLDEJ-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO CSC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCC1 ZINC000381904870 1053110978 /nfs/dbraw/zinc/11/09/78/1053110978.db2.gz IKVUGFDBUZUMNF-LJQANCHMSA-N 1 3 332.557 4.164 20 0 EIADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000383543029 1053352861 /nfs/dbraw/zinc/35/28/61/1053352861.db2.gz UXPFVLFNVNGUBZ-ZWOKBUDYSA-N 1 3 326.484 4.458 20 0 EIADHO Clc1cccc(SCCN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001195536235 1053428452 /nfs/dbraw/zinc/42/84/52/1053428452.db2.gz PJGVALYOYGPLTH-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO Clc1cccc(SCC[N@@H+]2CCCN(c3ccncc3)CC2)c1 ZINC001195536235 1053428457 /nfs/dbraw/zinc/42/84/57/1053428457.db2.gz PJGVALYOYGPLTH-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO Clc1cccc(SCC[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC001195536235 1053428460 /nfs/dbraw/zinc/42/84/60/1053428460.db2.gz PJGVALYOYGPLTH-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO CC(CCN[C@@H](C)c1cscn1)CC[NH2+][C@@H](C)c1cscn1 ZINC000852417842 1053575392 /nfs/dbraw/zinc/57/53/92/1053575392.db2.gz XYRKLVKXRQHMAI-KBPBESRZSA-N 1 3 338.546 4.017 20 0 EIADHO CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000386416515 1053712383 /nfs/dbraw/zinc/71/23/83/1053712383.db2.gz YTOLFOWGZUAATJ-NQIIRXRSSA-N 1 3 338.495 4.086 20 0 EIADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559695 1054084708 /nfs/dbraw/zinc/08/47/08/1054084708.db2.gz SMUOPAJPWAIMNW-GHTZIAJQSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559695 1054084721 /nfs/dbraw/zinc/08/47/21/1054084721.db2.gz SMUOPAJPWAIMNW-GHTZIAJQSA-N 1 3 347.547 4.057 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001199844443 1054478765 /nfs/dbraw/zinc/47/87/65/1054478765.db2.gz ZGMOWSCXFPTGCV-SFHVURJKSA-N 1 3 342.458 4.440 20 0 EIADHO CCNc1ccccc1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC001200941774 1054596725 /nfs/dbraw/zinc/59/67/25/1054596725.db2.gz JMUKRTWXLCCPLB-SFHVURJKSA-N 1 3 325.500 4.119 20 0 EIADHO CCN([C@@H]1CCOC1)C1CC[NH+](CC[C@@H](C)CCC=C(C)C)CC1 ZINC001201981665 1054958507 /nfs/dbraw/zinc/95/85/07/1054958507.db2.gz QLDWCFNTVMZDNC-PZJWPPBQSA-N 1 3 336.564 4.334 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412321 1055299476 /nfs/dbraw/zinc/29/94/76/1055299476.db2.gz VTUBIBLKFRGRRY-TZEULACYSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412321 1055299503 /nfs/dbraw/zinc/29/95/03/1055299503.db2.gz VTUBIBLKFRGRRY-TZEULACYSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412321 1055299524 /nfs/dbraw/zinc/29/95/24/1055299524.db2.gz VTUBIBLKFRGRRY-TZEULACYSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412320 1055300632 /nfs/dbraw/zinc/30/06/32/1055300632.db2.gz VTUBIBLKFRGRRY-OZROYSPXSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412320 1055300654 /nfs/dbraw/zinc/30/06/54/1055300654.db2.gz VTUBIBLKFRGRRY-OZROYSPXSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412320 1055300675 /nfs/dbraw/zinc/30/06/75/1055300675.db2.gz VTUBIBLKFRGRRY-OZROYSPXSA-N 1 3 342.527 4.149 20 0 EIADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000386483114 1060267884 /nfs/dbraw/zinc/26/78/84/1060267884.db2.gz WLRQDPIDGSNHHW-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000386483114 1060267921 /nfs/dbraw/zinc/26/79/21/1060267921.db2.gz WLRQDPIDGSNHHW-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO CC1(C)C[C@H](Nc2cc(CN3CCCCC3)ccn2)C[C@@](C)(C[NH3+])C1 ZINC001169140941 1060660261 /nfs/dbraw/zinc/66/02/61/1060660261.db2.gz ICECNJSBYUWCRV-GHTZIAJQSA-N 1 3 344.547 4.023 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCc3ccccc3[C@@H]1c1ccccc1)C2 ZINC001169143232 1060662509 /nfs/dbraw/zinc/66/25/09/1060662509.db2.gz ZCLCIAGQCXTXRG-GNXKAVGDSA-N 1 3 332.491 4.259 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCc3ccccc3[C@@H]1c1ccccc1)C2 ZINC001169143232 1060662515 /nfs/dbraw/zinc/66/25/15/1060662515.db2.gz ZCLCIAGQCXTXRG-GNXKAVGDSA-N 1 3 332.491 4.259 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000532214759 1032096022 /nfs/dbraw/zinc/09/60/22/1032096022.db2.gz LCFFWJGJKWZARJ-GJZGRUSLSA-N 1 3 339.321 4.220 20 0 EIADHO Cc1nc(-c2ccc([C@@H](C)NC3CC[NH+](C4CC4)CC3)cc2)cs1 ZINC000459381795 1032165798 /nfs/dbraw/zinc/16/57/98/1032165798.db2.gz DUMKMZUVWMSQGX-CQSZACIVSA-N 1 3 341.524 4.396 20 0 EIADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000643458558 1032267702 /nfs/dbraw/zinc/26/77/02/1032267702.db2.gz DJLKVDJHTPWSFU-KIJLLGNVSA-N 1 3 346.359 4.003 20 0 EIADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCCC1(F)F ZINC000450455632 1032510892 /nfs/dbraw/zinc/51/08/92/1032510892.db2.gz OFYUOHGZROAWRC-RTBURBONSA-N 1 3 336.470 4.266 20 0 EIADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCCC1(F)F ZINC000450455632 1032510903 /nfs/dbraw/zinc/51/09/03/1032510903.db2.gz OFYUOHGZROAWRC-RTBURBONSA-N 1 3 336.470 4.266 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546132 1018897527 /nfs/dbraw/zinc/89/75/27/1018897527.db2.gz JEGOLFQUIZYMDL-QLFBSQMISA-N 1 3 329.513 4.053 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546132 1018897530 /nfs/dbraw/zinc/89/75/30/1018897530.db2.gz JEGOLFQUIZYMDL-QLFBSQMISA-N 1 3 329.513 4.053 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546130 1018898048 /nfs/dbraw/zinc/89/80/48/1018898048.db2.gz JEGOLFQUIZYMDL-ILXRZTDVSA-N 1 3 329.513 4.053 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546130 1018898051 /nfs/dbraw/zinc/89/80/51/1018898051.db2.gz JEGOLFQUIZYMDL-ILXRZTDVSA-N 1 3 329.513 4.053 20 0 EIADHO Cc1csc([C@H](C)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274735587 1019086117 /nfs/dbraw/zinc/08/61/17/1019086117.db2.gz DAOHAAWPIFJESE-AYBZRNKSSA-N 1 3 343.540 4.055 20 0 EIADHO Cc1cnc([C@H](C)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000274752184 1019187827 /nfs/dbraw/zinc/18/78/27/1019187827.db2.gz HTZQEHKJOKIWON-SUMDDJOVSA-N 1 3 343.540 4.055 20 0 EIADHO C[NH2+]C1CCC(N(C)Cc2cccc(Br)c2Cl)CC1 ZINC000706460794 1021684090 /nfs/dbraw/zinc/68/40/90/1021684090.db2.gz MLCNSNOFQQPEPT-UHFFFAOYSA-N 1 3 345.712 4.065 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2ccc(OC)cc21 ZINC000173227966 1021873317 /nfs/dbraw/zinc/87/33/17/1021873317.db2.gz CLBSGZHUOMXVNJ-QFIPXVFZSA-N 1 3 338.495 4.314 20 0 EIADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184740 1022062211 /nfs/dbraw/zinc/06/22/11/1022062211.db2.gz OGHHKRXIAGNJHC-CVEARBPZSA-N 1 3 329.513 4.193 20 0 EIADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000414184740 1022062229 /nfs/dbraw/zinc/06/22/29/1022062229.db2.gz OGHHKRXIAGNJHC-CVEARBPZSA-N 1 3 329.513 4.193 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000236666165 1022192084 /nfs/dbraw/zinc/19/20/84/1022192084.db2.gz GYIRRUSLBHVTNN-UHFFFAOYSA-N 1 3 348.437 4.418 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000236666165 1022192094 /nfs/dbraw/zinc/19/20/94/1022192094.db2.gz GYIRRUSLBHVTNN-UHFFFAOYSA-N 1 3 348.437 4.418 20 0 EIADHO COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000471602660 1022310189 /nfs/dbraw/zinc/31/01/89/1022310189.db2.gz CTHLLGUDIXOTHK-RYRKJORJSA-N 1 3 344.524 4.318 20 0 EIADHO COc1cccc([C@@H](C)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310858203 1022521118 /nfs/dbraw/zinc/52/11/18/1022521118.db2.gz BYMOXHZFKZYYNU-GCJKJVERSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310858203 1022521135 /nfs/dbraw/zinc/52/11/35/1022521135.db2.gz BYMOXHZFKZYYNU-GCJKJVERSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC000378407954 1022805612 /nfs/dbraw/zinc/80/56/12/1022805612.db2.gz YRZPDMJZTKPXAI-PMACEKPBSA-N 1 3 336.564 4.214 20 0 EIADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc(O)c1 ZINC000178802298 1023176531 /nfs/dbraw/zinc/17/65/31/1023176531.db2.gz YRSNWUJNXAVPCB-ZNDGOPKYSA-N 1 3 336.479 4.238 20 0 EIADHO [NH3+]CCC[C@H](NCc1cnc(C2CCCC2)s1)c1ccccc1 ZINC000415054952 1023411850 /nfs/dbraw/zinc/41/18/50/1023411850.db2.gz OEQKDWFESSYITO-SFHVURJKSA-N 1 3 329.513 4.371 20 0 EIADHO [NH3+]C1CCC(N[C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000415073794 1023428107 /nfs/dbraw/zinc/42/81/07/1023428107.db2.gz BNUZYWKHMHFFSF-LADRWXRNSA-N 1 3 332.850 4.428 20 0 EIADHO Clc1cccc2c1CC[C@@H]2N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083353 1023433430 /nfs/dbraw/zinc/43/34/30/1023433430.db2.gz NCWXBOMBWCRSTK-YSSFQJQWSA-N 1 3 326.871 4.410 20 0 EIADHO COc1cccc([C@@H](NCC2CC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000415086696 1023438276 /nfs/dbraw/zinc/43/82/76/1023438276.db2.gz SMUDKZFPJLUGNE-HXUWFJFHSA-N 1 3 344.886 4.027 20 0 EIADHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000119866982 1023440469 /nfs/dbraw/zinc/44/04/69/1023440469.db2.gz CASHQMDURXSRJS-KRWDZBQOSA-N 1 3 334.504 4.007 20 0 EIADHO Clc1ccc2cccnc2c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787313 1023536118 /nfs/dbraw/zinc/53/61/18/1023536118.db2.gz XCAPXSTWJGJUJL-QGZVFWFLSA-N 1 3 343.902 4.100 20 0 EIADHO Cc1cc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000311195079 1023622489 /nfs/dbraw/zinc/62/24/89/1023622489.db2.gz HOSNHISJYLNCSV-HXUWFJFHSA-N 1 3 338.495 4.011 20 0 EIADHO Cc1cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000311195079 1023622493 /nfs/dbraw/zinc/62/24/93/1023622493.db2.gz HOSNHISJYLNCSV-HXUWFJFHSA-N 1 3 338.495 4.011 20 0 EIADHO C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000367698016 1023885284 /nfs/dbraw/zinc/88/52/84/1023885284.db2.gz NRSJTAUFTYPQCW-RDJZCZTQSA-N 1 3 340.433 4.219 20 0 EIADHO [NH3+]CCC[C@H](NCc1csc(C(F)(F)F)c1)c1ccccc1 ZINC000925720598 1024101715 /nfs/dbraw/zinc/10/17/15/1024101715.db2.gz YORJLCQCXACMKN-AWEZNQCLSA-N 1 3 328.403 4.337 20 0 EIADHO c1ccc(CC[N@@H+]2CC[C@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000249059197 1024875385 /nfs/dbraw/zinc/87/53/85/1024875385.db2.gz ZLRGILIFJDQZNB-OFNKIYASSA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CC[N@H+]2CC[C@H](CN[C@H]3CCCNc4ccccc43)C2)cc1 ZINC000249059197 1024875387 /nfs/dbraw/zinc/87/53/87/1024875387.db2.gz ZLRGILIFJDQZNB-OFNKIYASSA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCCNc4ccccc43)C2)cc1 ZINC000249059197 1024875391 /nfs/dbraw/zinc/87/53/91/1024875391.db2.gz ZLRGILIFJDQZNB-OFNKIYASSA-N 1 3 349.522 4.088 20 0 EIADHO Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662278575 1025024497 /nfs/dbraw/zinc/02/44/97/1025024497.db2.gz HELVGZNCAONQGR-HNNXBMFYSA-N 1 3 343.540 4.414 20 0 EIADHO CC(C)CCOc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000563154200 1025438721 /nfs/dbraw/zinc/43/87/21/1025438721.db2.gz SEJKHVMGSHMSJD-KRWDZBQOSA-N 1 3 326.484 4.421 20 0 EIADHO CCC[C@@H](C(=O)c1ccccc1)N(C)[C@@H](C)CCC[NH+](CC)CC ZINC001167835291 1025835823 /nfs/dbraw/zinc/83/58/23/1025835823.db2.gz RBOJGSXQGMSUTF-ICSRJNTNSA-N 1 3 332.532 4.480 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001167835854 1025840076 /nfs/dbraw/zinc/84/00/76/1025840076.db2.gz URHYHUJXAIJPTP-MOPGFXCFSA-N 1 3 349.538 4.015 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000582032426 1025995135 /nfs/dbraw/zinc/99/51/35/1025995135.db2.gz HPIUCIVEQPOBRU-XJABCFGWSA-N 1 3 338.495 4.051 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000582032426 1025995179 /nfs/dbraw/zinc/99/51/79/1025995179.db2.gz HPIUCIVEQPOBRU-XJABCFGWSA-N 1 3 338.495 4.051 20 0 EIADHO CCOc1ccc([C@H](CC)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000152466836 1026586780 /nfs/dbraw/zinc/58/67/80/1026586780.db2.gz ULVCCFQPFKQDSA-APWZRJJASA-N 1 3 346.515 4.009 20 0 EIADHO CCOc1ccc([C@H](CC)NC[C@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152466836 1026586792 /nfs/dbraw/zinc/58/67/92/1026586792.db2.gz ULVCCFQPFKQDSA-APWZRJJASA-N 1 3 346.515 4.009 20 0 EIADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2c(c1)CCC2 ZINC000512318486 1026687289 /nfs/dbraw/zinc/68/72/89/1026687289.db2.gz PSCVPWZULWJPBL-FIKGOQFSSA-N 1 3 326.528 4.479 20 0 EIADHO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)CCC2 ZINC000512318486 1026687293 /nfs/dbraw/zinc/68/72/93/1026687293.db2.gz PSCVPWZULWJPBL-FIKGOQFSSA-N 1 3 326.528 4.479 20 0 EIADHO COCc1ccccc1/C=C(/C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000507205991 1026692383 /nfs/dbraw/zinc/69/23/83/1026692383.db2.gz ALLOAXYTJVMHDT-CYVLTUHYSA-N 1 3 342.527 4.044 20 0 EIADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000507507622 1026821449 /nfs/dbraw/zinc/82/14/49/1026821449.db2.gz IOOLLBJQJRQTIL-CADBVGFASA-N 1 3 334.454 4.065 20 0 EIADHO Cc1cccc2c(CC[NH2+]C3CCN(C4CCCC4)CC3)c[nH]c21 ZINC000164443570 1026835246 /nfs/dbraw/zinc/83/52/46/1026835246.db2.gz NXQZQOZLSIAQAX-UHFFFAOYSA-N 1 3 325.500 4.015 20 0 EIADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000178634851 1026983876 /nfs/dbraw/zinc/98/38/76/1026983876.db2.gz CQONWVJOVPAQLN-MRXNPFEDSA-N 1 3 343.902 4.298 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)CN1CCCCC1 ZINC000474601233 1027274920 /nfs/dbraw/zinc/27/49/20/1027274920.db2.gz KOWDNIACFFUQOW-IKGGRYGDSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](CN[C@@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000474601233 1027274954 /nfs/dbraw/zinc/27/49/54/1027274954.db2.gz KOWDNIACFFUQOW-IKGGRYGDSA-N 1 3 345.556 4.500 20 0 EIADHO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613480 1027288567 /nfs/dbraw/zinc/28/85/67/1027288567.db2.gz KZVIHCPSZJLCAF-RTWAWAEBSA-N 1 3 329.532 4.098 20 0 EIADHO C[C@H]1CC(N2CCc3ccccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039975 1027351876 /nfs/dbraw/zinc/35/18/76/1027351876.db2.gz JEZKLHMOMIMYEP-OALUTQOASA-N 1 3 334.507 4.486 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441400059 1027523944 /nfs/dbraw/zinc/52/39/44/1027523944.db2.gz ZAPWJDIBLAJDMK-DENIHFKCSA-N 1 3 342.527 4.021 20 0 EIADHO Cc1cc(C)cc(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441400059 1027523960 /nfs/dbraw/zinc/52/39/60/1027523960.db2.gz ZAPWJDIBLAJDMK-DENIHFKCSA-N 1 3 342.527 4.021 20 0 EIADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000320904108 1027544662 /nfs/dbraw/zinc/54/46/62/1027544662.db2.gz CLRMOYYJAYHBIG-LSDHHAIUSA-N 1 3 326.431 4.061 20 0 EIADHO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000152452862 1027596665 /nfs/dbraw/zinc/59/66/65/1027596665.db2.gz KVIRHUJTDJHUEY-IIYDPXPESA-N 1 3 349.316 4.071 20 0 EIADHO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000152452862 1027596700 /nfs/dbraw/zinc/59/67/00/1027596700.db2.gz KVIRHUJTDJHUEY-IIYDPXPESA-N 1 3 349.316 4.071 20 0 EIADHO FC1(F)CC12CCC([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000657716440 1027842063 /nfs/dbraw/zinc/84/20/63/1027842063.db2.gz JNSQQUUWEZJMEN-UHFFFAOYSA-N 1 3 326.475 4.341 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000520460118 1028047321 /nfs/dbraw/zinc/04/73/21/1028047321.db2.gz XUCYOUUHUYTUOZ-LJISPDSOSA-N 1 3 326.937 4.213 20 0 EIADHO CCCc1nc(C)c(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)o1 ZINC000428313705 1028069275 /nfs/dbraw/zinc/06/92/75/1028069275.db2.gz XTCBSBTUJFIONN-UHFFFAOYSA-N 1 3 347.547 4.270 20 0 EIADHO CCCc1nc(C)c(CN2CCC(CC[N@@H+](CC)CC3CC3)CC2)o1 ZINC000428313705 1028069300 /nfs/dbraw/zinc/06/93/00/1028069300.db2.gz XTCBSBTUJFIONN-UHFFFAOYSA-N 1 3 347.547 4.270 20 0 EIADHO CCc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)o1 ZINC000150830369 1028254595 /nfs/dbraw/zinc/25/45/95/1028254595.db2.gz ACDLGHACUBPLSL-UHFFFAOYSA-N 1 3 338.451 4.357 20 0 EIADHO COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000162910291 1028531235 /nfs/dbraw/zinc/53/12/35/1028531235.db2.gz GZWYJEAGFWROOU-INIZCTEOSA-N 1 3 342.458 4.281 20 0 EIADHO c1[nH]c2ccccc2c1CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000156356657 1028725006 /nfs/dbraw/zinc/72/50/06/1028725006.db2.gz GWJYNNXXXKTRFW-UHFFFAOYSA-N 1 3 325.500 4.097 20 0 EIADHO c1ccc2c(CCNC3CC[NH+](C4CCCCC4)CC3)nsc2c1 ZINC000657771059 1028880726 /nfs/dbraw/zinc/88/07/26/1028880726.db2.gz ZVFQDTRIJYUDGV-UHFFFAOYSA-N 1 3 343.540 4.226 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000650758456 1029212938 /nfs/dbraw/zinc/21/29/38/1029212938.db2.gz QDRCLSLSCHTMOD-CYBMUJFWSA-N 1 3 331.529 4.319 20 0 EIADHO CCCCCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475125803 1029281718 /nfs/dbraw/zinc/28/17/18/1029281718.db2.gz WOQMZFWEOBLSDF-UHFFFAOYSA-N 1 3 330.516 4.316 20 0 EIADHO CCCCCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000475125803 1029281737 /nfs/dbraw/zinc/28/17/37/1029281737.db2.gz WOQMZFWEOBLSDF-UHFFFAOYSA-N 1 3 330.516 4.316 20 0 EIADHO CCC[N@H+](CCCN(C)C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168056818 1029313440 /nfs/dbraw/zinc/31/34/40/1029313440.db2.gz ITDSZQIWIRWWHC-VTYHHJSWSA-N 1 3 345.575 4.092 20 0 EIADHO CCC[N@@H+](CCCN(C)C)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168056818 1029313461 /nfs/dbraw/zinc/31/34/61/1029313461.db2.gz ITDSZQIWIRWWHC-VTYHHJSWSA-N 1 3 345.575 4.092 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000657841285 1029755029 /nfs/dbraw/zinc/75/50/29/1029755029.db2.gz OPFNPJMHCNKEAE-TZMCWYRMSA-N 1 3 348.840 4.221 20 0 EIADHO Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000530217933 1030225103 /nfs/dbraw/zinc/22/51/03/1030225103.db2.gz CUYJBJOIXGCIRF-RLLQIKCJSA-N 1 3 326.871 4.410 20 0 EIADHO C[C@@H](CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000447735318 1030312914 /nfs/dbraw/zinc/31/29/14/1030312914.db2.gz CVXCFBZANCNWSL-XUVXKRRUSA-N 1 3 344.543 4.001 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000548851784 1030632540 /nfs/dbraw/zinc/63/25/40/1030632540.db2.gz FHCPGEDZZOCZAD-LTBFUDJGSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000548851784 1030632546 /nfs/dbraw/zinc/63/25/46/1030632546.db2.gz FHCPGEDZZOCZAD-LTBFUDJGSA-N 1 3 326.406 4.040 20 0 EIADHO Cc1cc(F)ccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398051031 1030693803 /nfs/dbraw/zinc/69/38/03/1030693803.db2.gz XSMZPGYZINEKAE-DYESRHJHSA-N 1 3 326.459 4.134 20 0 EIADHO Cc1cc(F)ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398051031 1030693814 /nfs/dbraw/zinc/69/38/14/1030693814.db2.gz XSMZPGYZINEKAE-DYESRHJHSA-N 1 3 326.459 4.134 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCc2c1cccc2F ZINC000398131416 1030713952 /nfs/dbraw/zinc/71/39/52/1030713952.db2.gz JQSJITNNAOJIFK-XGRCMKMKSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCc2c1cccc2F ZINC000398131416 1030713976 /nfs/dbraw/zinc/71/39/76/1030713976.db2.gz JQSJITNNAOJIFK-XGRCMKMKSA-N 1 3 338.470 4.313 20 0 EIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000658069671 1030815352 /nfs/dbraw/zinc/81/53/52/1030815352.db2.gz QDGQQZVPZPUWFK-MRXNPFEDSA-N 1 3 349.950 4.019 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2ccncc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000527685976 1030824177 /nfs/dbraw/zinc/82/41/77/1030824177.db2.gz YXODXBHFAPMKOC-FUHWJXTLSA-N 1 3 343.902 4.125 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2ccncc2Cl)C[N@H+]1Cc1ccccc1 ZINC000527685976 1030824178 /nfs/dbraw/zinc/82/41/78/1030824178.db2.gz YXODXBHFAPMKOC-FUHWJXTLSA-N 1 3 343.902 4.125 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2ccncc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000527685978 1030824788 /nfs/dbraw/zinc/82/47/88/1030824788.db2.gz YXODXBHFAPMKOC-SJLPKXTDSA-N 1 3 343.902 4.125 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2ccncc2Cl)C[N@H+]1Cc1ccccc1 ZINC000527685978 1030824790 /nfs/dbraw/zinc/82/47/90/1030824790.db2.gz YXODXBHFAPMKOC-SJLPKXTDSA-N 1 3 343.902 4.125 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC34CCCCC4)CC2)ccn1 ZINC000658161868 1030859389 /nfs/dbraw/zinc/85/93/89/1030859389.db2.gz BGVOHIMBNAZFGZ-OAQYLSRUSA-N 1 3 341.543 4.386 20 0 EIADHO Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000658320180 1030980638 /nfs/dbraw/zinc/98/06/38/1030980638.db2.gz PLRQHZYWPSYAOD-DENIHFKCSA-N 1 3 349.522 4.343 20 0 EIADHO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000527964488 1031006261 /nfs/dbraw/zinc/00/62/61/1031006261.db2.gz KSCRHKLTRJXPFS-ZEYPLWLESA-N 1 3 349.522 4.423 20 0 EIADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000527995555 1031020925 /nfs/dbraw/zinc/02/09/25/1031020925.db2.gz NDKUMUUUSBSEGJ-UHFFFAOYSA-N 1 3 331.479 4.010 20 0 EIADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCc2ccccc21 ZINC000532446488 1031080727 /nfs/dbraw/zinc/08/07/27/1031080727.db2.gz CMWPFEJCCNHKJL-OAQYLSRUSA-N 1 3 338.495 4.184 20 0 EIADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000171126265 1031187877 /nfs/dbraw/zinc/18/78/77/1031187877.db2.gz FZMOERULCPUINJ-INIZCTEOSA-N 1 3 330.447 4.007 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCOc3cc(C)ccc32)c1 ZINC000123914216 1031493159 /nfs/dbraw/zinc/49/31/59/1031493159.db2.gz SOTGBNULVKXIRS-OAQYLSRUSA-N 1 3 338.495 4.450 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCOc3cc(C)ccc32)c1 ZINC000123914216 1031493169 /nfs/dbraw/zinc/49/31/69/1031493169.db2.gz SOTGBNULVKXIRS-OAQYLSRUSA-N 1 3 338.495 4.450 20 0 EIADHO C[C@H](Cc1coc2ccccc12)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000449185279 1031523571 /nfs/dbraw/zinc/52/35/71/1031523571.db2.gz NPPBJYBNMSJUCB-MRXNPFEDSA-N 1 3 326.484 4.360 20 0 EIADHO CC[C@@H](CC(F)(F)F)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449243600 1031579375 /nfs/dbraw/zinc/57/93/75/1031579375.db2.gz LXNFBYZYFBMLNE-RDJZCZTQSA-N 1 3 342.449 4.403 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2Oc2cccnc2)C[C@H]1C ZINC000531140008 1031583959 /nfs/dbraw/zinc/58/39/59/1031583959.db2.gz SFKMHDRSDYQSHV-MJGOQNOKSA-N 1 3 339.483 4.179 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2Oc2cccnc2)C[C@H]1C ZINC000531140008 1031583974 /nfs/dbraw/zinc/58/39/74/1031583974.db2.gz SFKMHDRSDYQSHV-MJGOQNOKSA-N 1 3 339.483 4.179 20 0 EIADHO CC1(C)CN(Cc2cccnc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413591 1031696416 /nfs/dbraw/zinc/69/64/16/1031696416.db2.gz JLEQUDOGHOUGMZ-JOCHJYFZSA-N 1 3 349.522 4.204 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000531980329 1031928471 /nfs/dbraw/zinc/92/84/71/1031928471.db2.gz ZZLICZRAQDKBBY-QUCCMNQESA-N 1 3 337.511 4.417 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000531980329 1031928482 /nfs/dbraw/zinc/92/84/82/1031928482.db2.gz ZZLICZRAQDKBBY-QUCCMNQESA-N 1 3 337.511 4.417 20 0 EIADHO CCO[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000193431181 1032047959 /nfs/dbraw/zinc/04/79/59/1032047959.db2.gz XVTXMSDUAFMTTL-QFIPXVFZSA-N 1 3 338.495 4.018 20 0 EIADHO CCN1CC[C@H](C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000512848749 1034066639 /nfs/dbraw/zinc/06/66/39/1034066639.db2.gz JDDDYIBUQDHLRE-CQSZACIVSA-N 1 3 334.916 4.500 20 0 EIADHO C[C@@H]1C[C@H](NCc2cc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513053794 1034373279 /nfs/dbraw/zinc/37/32/79/1034373279.db2.gz YIPUERXUFQKWHR-YLJYHZDGSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@H](NCc2cc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513053794 1034373297 /nfs/dbraw/zinc/37/32/97/1034373297.db2.gz YIPUERXUFQKWHR-YLJYHZDGSA-N 1 3 333.479 4.311 20 0 EIADHO Fc1cc(CCNC2CC[NH+](C3CCCCC3)CC2)cc(F)c1F ZINC000513395565 1034911789 /nfs/dbraw/zinc/91/17/89/1034911789.db2.gz MYKAUGHJQDMNEW-UHFFFAOYSA-N 1 3 340.433 4.033 20 0 EIADHO C[C@H]1C[C@H](CCNCc2ccc(Cl)o2)C[N@@H+]1Cc1ccccc1 ZINC000513501544 1034998108 /nfs/dbraw/zinc/99/81/08/1034998108.db2.gz TVTQRHXIURNJQL-RDJZCZTQSA-N 1 3 332.875 4.323 20 0 EIADHO C[C@H]1C[C@H](CCNCc2ccc(Cl)o2)C[N@H+]1Cc1ccccc1 ZINC000513501544 1034998126 /nfs/dbraw/zinc/99/81/26/1034998126.db2.gz TVTQRHXIURNJQL-RDJZCZTQSA-N 1 3 332.875 4.323 20 0 EIADHO c1cncc([C@H](NCc2cccc(C[NH+]3CCCC3)c2)C2CCC2)c1 ZINC000280150363 1035187478 /nfs/dbraw/zinc/18/74/78/1035187478.db2.gz AETLWXSQFISIQF-JOCHJYFZSA-N 1 3 335.495 4.308 20 0 EIADHO Fc1ccccc1NCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000419685670 1035400204 /nfs/dbraw/zinc/40/02/04/1035400204.db2.gz NDVMZAYZNZFZLI-UHFFFAOYSA-N 1 3 333.495 4.014 20 0 EIADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000501454085 1035448510 /nfs/dbraw/zinc/44/85/10/1035448510.db2.gz UDFJQBGPAJORMW-WIYYLYMNSA-N 1 3 341.543 4.495 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000575200894 1035722634 /nfs/dbraw/zinc/72/26/34/1035722634.db2.gz NNZCQPBRGJCWMR-FGSXEWAUSA-N 1 3 344.543 4.352 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000575200894 1035722651 /nfs/dbraw/zinc/72/26/51/1035722651.db2.gz NNZCQPBRGJCWMR-FGSXEWAUSA-N 1 3 344.543 4.352 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000572712712 1036811540 /nfs/dbraw/zinc/81/15/40/1036811540.db2.gz YJJHZLRJULOQAC-FDQGKXFDSA-N 1 3 343.902 4.489 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001168414389 1036827250 /nfs/dbraw/zinc/82/72/50/1036827250.db2.gz FRDSHCUIEMEDSJ-HXUWFJFHSA-N 1 3 330.491 4.070 20 0 EIADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000486944397 1036899313 /nfs/dbraw/zinc/89/93/13/1036899313.db2.gz PMNQBJUKCOWGFW-QJSCKGPTSA-N 1 3 335.495 4.259 20 0 EIADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000486944397 1036899315 /nfs/dbraw/zinc/89/93/15/1036899315.db2.gz PMNQBJUKCOWGFW-QJSCKGPTSA-N 1 3 335.495 4.259 20 0 EIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cccc3[nH]ccc32)CC1 ZINC000503121266 1036919512 /nfs/dbraw/zinc/91/95/12/1036919512.db2.gz NTWFWTFDXFEFGK-JTSKRJEESA-N 1 3 339.527 4.343 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC/C=C/c2ccncc2)C1 ZINC000486980342 1036932397 /nfs/dbraw/zinc/93/23/97/1036932397.db2.gz MLNZGQKTTZRNBH-BGEOSOQGSA-N 1 3 349.522 4.363 20 0 EIADHO CCOc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000486990940 1036938923 /nfs/dbraw/zinc/93/89/23/1036938923.db2.gz RTOZFFWFVOKINJ-UHFFFAOYSA-N 1 3 342.458 4.110 20 0 EIADHO CSC1(CN[C@H](C)c2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000573256009 1037456737 /nfs/dbraw/zinc/45/67/37/1037456737.db2.gz VKUILWVSQSRRKZ-GFCCVEGCSA-N 1 3 347.355 4.471 20 0 EIADHO c1ccc2cc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422700360 1037802538 /nfs/dbraw/zinc/80/25/38/1037802538.db2.gz GRGCRDWYRJSXEZ-GMAHTHKFSA-N 1 3 344.458 4.185 20 0 EIADHO Fc1ccccc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000592464531 1037817724 /nfs/dbraw/zinc/81/77/24/1037817724.db2.gz YEZPNSFKIJYYBZ-UHFFFAOYSA-N 1 3 346.877 4.481 20 0 EIADHO CCc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C(C)C)cc1 ZINC000422759575 1037819990 /nfs/dbraw/zinc/81/99/90/1037819990.db2.gz FPXNKDCIYIGWQN-KKSFZXQISA-N 1 3 325.500 4.459 20 0 EIADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422748882 1037825971 /nfs/dbraw/zinc/82/59/71/1037825971.db2.gz WPUQIYRVBOMEOS-ADLFWFRXSA-N 1 3 342.870 4.247 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000422769106 1037829067 /nfs/dbraw/zinc/82/90/67/1037829067.db2.gz STIMPJWXUJYTFZ-BFUOFWGJSA-N 1 3 329.875 4.304 20 0 EIADHO CCC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422765897 1037834533 /nfs/dbraw/zinc/83/45/33/1037834533.db2.gz PRRYTCUECHCNKI-ONTIZHBOSA-N 1 3 336.479 4.373 20 0 EIADHO COc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)c(C)c1 ZINC000422797008 1037835078 /nfs/dbraw/zinc/83/50/78/1037835078.db2.gz KWNOHSFJYVDNBS-FOIQADDNSA-N 1 3 346.902 4.463 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000422800116 1037836780 /nfs/dbraw/zinc/83/67/80/1037836780.db2.gz AUMPSWPXEUKPHC-VXGBXAGGSA-N 1 3 337.389 4.279 20 0 EIADHO c1csc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)c1 ZINC000422796662 1037836958 /nfs/dbraw/zinc/83/69/58/1037836958.db2.gz KCJYFCAMMFELOX-NSISKUIASA-N 1 3 340.492 4.045 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000422886717 1037853875 /nfs/dbraw/zinc/85/38/75/1037853875.db2.gz XFOGUDIKXRNXHB-HUUCEWRRSA-N 1 3 327.472 4.048 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000422888635 1037856670 /nfs/dbraw/zinc/85/66/70/1037856670.db2.gz DIJYGPWKMWAEBA-GJZGRUSLSA-N 1 3 327.472 4.048 20 0 EIADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422911804 1037866073 /nfs/dbraw/zinc/86/60/73/1037866073.db2.gz LOPNYHHTODRSAB-RCUQFMMVSA-N 1 3 330.859 4.150 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000422986370 1037894435 /nfs/dbraw/zinc/89/44/35/1037894435.db2.gz CHNGZOJCUXJXRY-IDMYKUQPSA-N 1 3 337.511 4.400 20 0 EIADHO CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423007457 1037899401 /nfs/dbraw/zinc/89/94/01/1037899401.db2.gz XSKZFQIKNBYPPR-ZBFHGGJFSA-N 1 3 329.513 4.070 20 0 EIADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012772 1037903306 /nfs/dbraw/zinc/90/33/06/1037903306.db2.gz LJDMIZUHWJYEFN-RHSMWYFYSA-N 1 3 349.931 4.113 20 0 EIADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012772 1037903314 /nfs/dbraw/zinc/90/33/14/1037903314.db2.gz LJDMIZUHWJYEFN-RHSMWYFYSA-N 1 3 349.931 4.113 20 0 EIADHO Cc1cc([C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C2CC2)ccc1F ZINC000423015958 1037903442 /nfs/dbraw/zinc/90/34/42/1037903442.db2.gz RXHUBUWRLAXTHD-XOBRGWDASA-N 1 3 327.447 4.098 20 0 EIADHO C[C@H](CCCC[NH3+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000423048765 1037911923 /nfs/dbraw/zinc/91/19/23/1037911923.db2.gz IRYFCPPBMGIDHV-CYBMUJFWSA-N 1 3 329.469 4.163 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@H]1C(C)C ZINC000423044030 1037919308 /nfs/dbraw/zinc/91/93/08/1037919308.db2.gz AOABEDYVAJWEFQ-XWFZLUIHSA-N 1 3 337.511 4.459 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423053863 1037940511 /nfs/dbraw/zinc/94/05/11/1037940511.db2.gz BDXMTFATCAZZOL-OCCSQVGLSA-N 1 3 325.481 4.475 20 0 EIADHO FC1(c2cccc(Cl)c2)CC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423095831 1037953216 /nfs/dbraw/zinc/95/32/16/1037953216.db2.gz NEAFSVDJRHBSFR-FRPQEJHRSA-N 1 3 336.882 4.178 20 0 EIADHO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423101826 1037962641 /nfs/dbraw/zinc/96/26/41/1037962641.db2.gz DFRGJPBIGBFZBZ-WIXLDOGYSA-N 1 3 336.479 4.072 20 0 EIADHO C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000423112411 1037990668 /nfs/dbraw/zinc/99/06/68/1037990668.db2.gz XNDUENAGSNDHIM-YLQAJVPDSA-N 1 3 326.406 4.134 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423152419 1038001235 /nfs/dbraw/zinc/00/12/35/1038001235.db2.gz DZJKQPQIASUSLD-BUXKBTBVSA-N 1 3 347.865 4.443 20 0 EIADHO Cc1ccc2c(c1)[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423132905 1038008533 /nfs/dbraw/zinc/00/85/33/1038008533.db2.gz PSHKXABLJGFXBU-GIWBLDEGSA-N 1 3 348.490 4.218 20 0 EIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423217805 1038064012 /nfs/dbraw/zinc/06/40/12/1038064012.db2.gz QMHYFKGHOJJRQT-BJJXKVORSA-N 1 3 330.394 4.014 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCCS2 ZINC000423406076 1038216867 /nfs/dbraw/zinc/21/68/67/1038216867.db2.gz YJWZBSFAGRTPFX-IBGZPJMESA-N 1 3 340.492 4.015 20 0 EIADHO Clc1cc2c(c(Cl)c1)CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423407279 1038219177 /nfs/dbraw/zinc/21/91/77/1038219177.db2.gz ZPRZZTYPCLXGCV-GOSISDBHSA-N 1 3 333.262 4.374 20 0 EIADHO Cc1ccsc1[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423468998 1038244244 /nfs/dbraw/zinc/24/42/44/1038244244.db2.gz KDHYNGJLUCGMKK-UWWQBHOKSA-N 1 3 332.488 4.240 20 0 EIADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423468998 1038244257 /nfs/dbraw/zinc/24/42/57/1038244257.db2.gz KDHYNGJLUCGMKK-UWWQBHOKSA-N 1 3 332.488 4.240 20 0 EIADHO [NH3+]CCC[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000423499227 1038255797 /nfs/dbraw/zinc/25/57/97/1038255797.db2.gz IZZHRZVFEBWWQT-MSOLQXFVSA-N 1 3 330.472 4.432 20 0 EIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423513985 1038270073 /nfs/dbraw/zinc/27/00/73/1038270073.db2.gz WCAYHBXRBMDFFY-KXBFYZLASA-N 1 3 329.463 4.023 20 0 EIADHO COc1ccc(Cl)cc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423513998 1038270599 /nfs/dbraw/zinc/27/05/99/1038270599.db2.gz WCUSJERTUIECRU-KBXCAEBGSA-N 1 3 332.875 4.479 20 0 EIADHO C[C@@H](NC1(C[NH2+]Cc2ccc3[nH]cnc3c2)CCCC1)c1ccccc1 ZINC000606912605 1038303609 /nfs/dbraw/zinc/30/36/09/1038303609.db2.gz CEJAQBBHVFLDAN-QGZVFWFLSA-N 1 3 348.494 4.316 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](CC2CC2)c2ccccc2)C[C@@H](C)O1 ZINC000539071185 1038821033 /nfs/dbraw/zinc/82/10/33/1038821033.db2.gz FRCBNMYLFVGSSE-OPYAIIAOSA-N 1 3 330.516 4.007 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1Cl ZINC000539072150 1038822419 /nfs/dbraw/zinc/82/24/19/1038822419.db2.gz VEDDCVFJGJBYBI-KFWWJZLASA-N 1 3 342.886 4.019 20 0 EIADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccccc1OCC[NH+](C)C ZINC000504911853 1038847430 /nfs/dbraw/zinc/84/74/30/1038847430.db2.gz MTSGYTIAUAYPQQ-FXAWDEMLSA-N 1 3 338.495 4.274 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccccc1OCC[NH+](C)C ZINC000504911855 1038848143 /nfs/dbraw/zinc/84/81/43/1038848143.db2.gz MTSGYTIAUAYPQQ-XLIONFOSSA-N 1 3 338.495 4.274 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2C)[C@H](C)C1 ZINC000480887604 1038853607 /nfs/dbraw/zinc/85/36/07/1038853607.db2.gz FMIFRNMICOYHPG-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C)cc2C)[C@H](C)C1 ZINC000480887604 1038853608 /nfs/dbraw/zinc/85/36/08/1038853608.db2.gz FMIFRNMICOYHPG-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555232555 1038999986 /nfs/dbraw/zinc/99/99/86/1038999986.db2.gz HVPRVHXZAGIKNW-NMTNEYKDSA-N 1 3 348.534 4.333 20 0 EIADHO CN1CCC2(CC1)C[C@H]([NH2+]CCC1=CCCCC1)c1ccccc1O2 ZINC000539370215 1039013542 /nfs/dbraw/zinc/01/35/42/1039013542.db2.gz XRGHEFNQZFNSBO-FQEVSTJZSA-N 1 3 340.511 4.455 20 0 EIADHO CSCc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550795724 1039301716 /nfs/dbraw/zinc/30/17/16/1039301716.db2.gz XBCGODVDJSZLJG-RTWAWAEBSA-N 1 3 340.536 4.475 20 0 EIADHO CSCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550795724 1039301737 /nfs/dbraw/zinc/30/17/37/1039301737.db2.gz XBCGODVDJSZLJG-RTWAWAEBSA-N 1 3 340.536 4.475 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000513858976 1039338695 /nfs/dbraw/zinc/33/86/95/1039338695.db2.gz GNHWIQMOWWUXGZ-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cc3ccccc3s2)[C@@H](C)C1 ZINC000550856240 1039653198 /nfs/dbraw/zinc/65/31/98/1039653198.db2.gz ITARHSAFPBFCMO-QFBILLFUSA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cc3ccccc3s2)[C@@H](C)C1 ZINC000550856240 1039653226 /nfs/dbraw/zinc/65/32/26/1039653226.db2.gz ITARHSAFPBFCMO-QFBILLFUSA-N 1 3 346.540 4.128 20 0 EIADHO CN(C)CC(C)(C)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000060816789 1039755710 /nfs/dbraw/zinc/75/57/10/1039755710.db2.gz NWHNPFRCOHQZTF-UHFFFAOYSA-N 1 3 336.426 4.119 20 0 EIADHO CCC[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000481724733 1039789209 /nfs/dbraw/zinc/78/92/09/1039789209.db2.gz NPIQQBZZDYKPSX-FQEVSTJZSA-N 1 3 326.484 4.258 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000122963438 1039836493 /nfs/dbraw/zinc/83/64/93/1039836493.db2.gz PHXDUVDOYBBEOO-CQSZACIVSA-N 1 3 326.431 4.203 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000481909782 1039897211 /nfs/dbraw/zinc/89/72/11/1039897211.db2.gz PFMOXEYTTHUZDY-GOSISDBHSA-N 1 3 332.532 4.037 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537692196 1039906612 /nfs/dbraw/zinc/90/66/12/1039906612.db2.gz GKCMHQRFDBPXSI-QFBILLFUSA-N 1 3 326.509 4.350 20 0 EIADHO c1c2ccccc2sc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537692196 1039906636 /nfs/dbraw/zinc/90/66/36/1039906636.db2.gz GKCMHQRFDBPXSI-QFBILLFUSA-N 1 3 326.509 4.350 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000481973096 1039922087 /nfs/dbraw/zinc/92/20/87/1039922087.db2.gz OYSMLJKLDAIPSN-QGZVFWFLSA-N 1 3 348.531 4.399 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc2ccccc2c1OC(F)F ZINC000481962676 1039928494 /nfs/dbraw/zinc/92/84/94/1039928494.db2.gz PXLDXRCXIUKOJG-UONOGXRCSA-N 1 3 336.426 4.432 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000482242598 1040098541 /nfs/dbraw/zinc/09/85/41/1040098541.db2.gz UEZDIMZSLIVIRF-KGLIPLIRSA-N 1 3 327.299 4.142 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000482242598 1040098559 /nfs/dbraw/zinc/09/85/59/1040098559.db2.gz UEZDIMZSLIVIRF-KGLIPLIRSA-N 1 3 327.299 4.142 20 0 EIADHO CSC1(CN[C@@H](C)c2cccc(Cl)c2Cl)CC[NH+](C)CC1 ZINC000514696605 1040145931 /nfs/dbraw/zinc/14/59/31/1040145931.db2.gz NBDBYSDKSSDQQF-LBPRGKRZSA-N 1 3 347.355 4.471 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000482360662 1040201098 /nfs/dbraw/zinc/20/10/98/1040201098.db2.gz PWNPKNDLFDULPH-LSDHHAIUSA-N 1 3 344.421 4.356 20 0 EIADHO c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482439909 1040248382 /nfs/dbraw/zinc/24/83/82/1040248382.db2.gz PRLVUBOUXBUQHI-QUCCMNQESA-N 1 3 340.536 4.280 20 0 EIADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000514812796 1040255119 /nfs/dbraw/zinc/25/51/19/1040255119.db2.gz UEQQHFQKQQGNJF-IUYQLWOBSA-N 1 3 340.433 4.430 20 0 EIADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C/c2cccc(C(F)(F)F)c2)C1 ZINC000514812796 1040255138 /nfs/dbraw/zinc/25/51/38/1040255138.db2.gz UEQQHFQKQQGNJF-IUYQLWOBSA-N 1 3 340.433 4.430 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000482647709 1040408374 /nfs/dbraw/zinc/40/83/74/1040408374.db2.gz BMAQCEUHBIJGKV-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000482647709 1040408380 /nfs/dbraw/zinc/40/83/80/1040408380.db2.gz BMAQCEUHBIJGKV-ZVDOUQERSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000479876916 1040740358 /nfs/dbraw/zinc/74/03/58/1040740358.db2.gz VJCIZYFQVPBEGG-UEXGIBASSA-N 1 3 332.532 4.037 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000479876916 1040740371 /nfs/dbraw/zinc/74/03/71/1040740371.db2.gz VJCIZYFQVPBEGG-UEXGIBASSA-N 1 3 332.532 4.037 20 0 EIADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(OC(F)F)c1 ZINC000483201213 1040759704 /nfs/dbraw/zinc/75/97/04/1040759704.db2.gz PKQSOPNNXDTTFM-CZUORRHYSA-N 1 3 328.447 4.305 20 0 EIADHO COc1cc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1SC ZINC000483204027 1040760912 /nfs/dbraw/zinc/76/09/12/1040760912.db2.gz RXSIJQNSJBXHRJ-KSSFIOAISA-N 1 3 338.561 4.434 20 0 EIADHO COc1cc(C)c([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000483186472 1040764228 /nfs/dbraw/zinc/76/42/28/1040764228.db2.gz UWQQKGYNCZKONE-BEFAXECRSA-N 1 3 336.520 4.029 20 0 EIADHO COc1cccc(CN2CCC(CCC[NH+](C)C)CC2)c1OC(C)C ZINC000539852220 1040849227 /nfs/dbraw/zinc/84/92/27/1040849227.db2.gz RIOGCRYLYMNFGC-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO CCC[C@H](N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000480034156 1040869592 /nfs/dbraw/zinc/86/95/92/1040869592.db2.gz JJSHPFSSAUJFHH-TYPHKJRUSA-N 1 3 332.532 4.254 20 0 EIADHO CCC[C@H](N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000480034156 1040869593 /nfs/dbraw/zinc/86/95/93/1040869593.db2.gz JJSHPFSSAUJFHH-TYPHKJRUSA-N 1 3 332.532 4.254 20 0 EIADHO CCC[C@H](N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000480034154 1040871035 /nfs/dbraw/zinc/87/10/35/1040871035.db2.gz JJSHPFSSAUJFHH-JBACZVJFSA-N 1 3 332.532 4.254 20 0 EIADHO CCC[C@H](N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000480034154 1040871037 /nfs/dbraw/zinc/87/10/37/1040871037.db2.gz JJSHPFSSAUJFHH-JBACZVJFSA-N 1 3 332.532 4.254 20 0 EIADHO CC[NH+]1CCC(CCNCc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000462768901 1040922768 /nfs/dbraw/zinc/92/27/68/1040922768.db2.gz OXYWCKSBEKPOHV-UHFFFAOYSA-N 1 3 345.314 4.214 20 0 EIADHO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089328 1040926089 /nfs/dbraw/zinc/92/60/89/1040926089.db2.gz HFZBJLNIILNJHZ-HIFRSBDPSA-N 1 3 328.472 4.179 20 0 EIADHO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089328 1040926105 /nfs/dbraw/zinc/92/61/05/1040926105.db2.gz HFZBJLNIILNJHZ-HIFRSBDPSA-N 1 3 328.472 4.179 20 0 EIADHO COc1cccc2c1CC[C@H]2NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000537968845 1040974254 /nfs/dbraw/zinc/97/42/54/1040974254.db2.gz ZOBLZEISBXJOGS-OAQYLSRUSA-N 1 3 338.495 4.313 20 0 EIADHO COc1cccc2c1CC[C@H]2NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000537968845 1040974275 /nfs/dbraw/zinc/97/42/75/1040974275.db2.gz ZOBLZEISBXJOGS-OAQYLSRUSA-N 1 3 338.495 4.313 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725991 1040978850 /nfs/dbraw/zinc/97/88/50/1040978850.db2.gz IZQQMJQWVLASAP-IPYPFGDCSA-N 1 3 346.462 4.474 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725991 1040978871 /nfs/dbraw/zinc/97/88/71/1040978871.db2.gz IZQQMJQWVLASAP-IPYPFGDCSA-N 1 3 346.462 4.474 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000480160225 1041014454 /nfs/dbraw/zinc/01/44/54/1041014454.db2.gz OAEHRQGQDBIPNG-CQSZACIVSA-N 1 3 328.472 4.180 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097056 1041045931 /nfs/dbraw/zinc/04/59/31/1041045931.db2.gz OHMYDKFSQMEMBG-FOIQADDNSA-N 1 3 344.499 4.407 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000538097056 1041045948 /nfs/dbraw/zinc/04/59/48/1041045948.db2.gz OHMYDKFSQMEMBG-FOIQADDNSA-N 1 3 344.499 4.407 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(C)(C)c2c[nH]c3ccccc32)C1 ZINC000462889309 1041050362 /nfs/dbraw/zinc/05/03/62/1041050362.db2.gz SJINKFOZHFMYAK-IAGOWNOFSA-N 1 3 327.516 4.156 20 0 EIADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN1CCCC1 ZINC000462884101 1041069148 /nfs/dbraw/zinc/06/91/48/1041069148.db2.gz YZWOQEJJDWPBRQ-KRWDZBQOSA-N 1 3 327.516 4.300 20 0 EIADHO Fc1cccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000436307111 1041076839 /nfs/dbraw/zinc/07/68/39/1041076839.db2.gz JWUAOWFSHBAIBL-IRJFHVNHSA-N 1 3 330.491 4.458 20 0 EIADHO Fc1cccc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000436307111 1041076851 /nfs/dbraw/zinc/07/68/51/1041076851.db2.gz JWUAOWFSHBAIBL-IRJFHVNHSA-N 1 3 330.491 4.458 20 0 EIADHO CC(C)CC[C@@H](C)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538268483 1041228169 /nfs/dbraw/zinc/22/81/69/1041228169.db2.gz IPWGAYMBBALKIE-MJGOQNOKSA-N 1 3 330.516 4.389 20 0 EIADHO C[C@H]1C[C@H]([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@@H](C)C1 ZINC000538297611 1041247980 /nfs/dbraw/zinc/24/79/80/1041247980.db2.gz WWTGKOCALYLKSG-XFKSJGNHSA-N 1 3 342.527 4.389 20 0 EIADHO c1ccc(C[N@@H+]2CC[C@]3(CCN([C@@H]4C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC000463195391 1041410582 /nfs/dbraw/zinc/41/05/82/1041410582.db2.gz WXQLQIMQIKDFFF-ZLNRFVROSA-N 1 3 332.491 4.141 20 0 EIADHO c1ccc(C[N@H+]2CC[C@]3(CCN([C@@H]4C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC000463195391 1041410591 /nfs/dbraw/zinc/41/05/91/1041410591.db2.gz WXQLQIMQIKDFFF-ZLNRFVROSA-N 1 3 332.491 4.141 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C[C@H](C)O1 ZINC000464059663 1041844986 /nfs/dbraw/zinc/84/49/86/1041844986.db2.gz ZCTOVZJSENYSTE-IZZBFERCSA-N 1 3 344.543 4.048 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C[C@H](C)O1 ZINC000464059664 1041845116 /nfs/dbraw/zinc/84/51/16/1041845116.db2.gz ZCTOVZJSENYSTE-KOUHRCEDSA-N 1 3 344.543 4.048 20 0 EIADHO c1ccc(OCCCCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000438132264 1042059890 /nfs/dbraw/zinc/05/98/90/1042059890.db2.gz YJQWRVYEXPEWEX-HXUWFJFHSA-N 1 3 330.516 4.044 20 0 EIADHO c1ccc(OCCCCC[N@@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000438132264 1042059898 /nfs/dbraw/zinc/05/98/98/1042059898.db2.gz YJQWRVYEXPEWEX-HXUWFJFHSA-N 1 3 330.516 4.044 20 0 EIADHO c1ccc(OCCCCC[N@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000438132264 1042059906 /nfs/dbraw/zinc/05/99/06/1042059906.db2.gz YJQWRVYEXPEWEX-HXUWFJFHSA-N 1 3 330.516 4.044 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425951434 1042067409 /nfs/dbraw/zinc/06/74/09/1042067409.db2.gz MQKMNCBRCRUQQP-CABCVRRESA-N 1 3 331.529 4.275 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000426063894 1042246935 /nfs/dbraw/zinc/24/69/35/1042246935.db2.gz VTFZVTSWWVFMGN-XPGWFJOJSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+]1C ZINC000426063894 1042246938 /nfs/dbraw/zinc/24/69/38/1042246938.db2.gz VTFZVTSWWVFMGN-XPGWFJOJSA-N 1 3 343.902 4.091 20 0 EIADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000303163338 1042336791 /nfs/dbraw/zinc/33/67/91/1042336791.db2.gz HMOFLKCZQMTPBV-QFIPXVFZSA-N 1 3 336.523 4.464 20 0 EIADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1CC[NH+](C(C)C)CC1 ZINC000438830241 1042372340 /nfs/dbraw/zinc/37/23/40/1042372340.db2.gz NLRUFDRDKXFAOK-FQEVSTJZSA-N 1 3 325.500 4.316 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000426289008 1042514430 /nfs/dbraw/zinc/51/44/30/1042514430.db2.gz FJHMJMMQTCHPLV-VLCRHTCISA-N 1 3 344.543 4.099 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000426289008 1042514435 /nfs/dbraw/zinc/51/44/35/1042514435.db2.gz FJHMJMMQTCHPLV-VLCRHTCISA-N 1 3 344.543 4.099 20 0 EIADHO CC1CC[NH+](CCCCNCc2cscc2Br)CC1 ZINC000512083720 1043084723 /nfs/dbraw/zinc/08/47/23/1043084723.db2.gz LRGSKANUSKTIMA-UHFFFAOYSA-N 1 3 345.350 4.112 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2scnc2C2CC2)CC1)CC1CC1 ZINC000495028019 1043099568 /nfs/dbraw/zinc/09/95/68/1043099568.db2.gz MASAJUYUVDSLQL-UHFFFAOYSA-N 1 3 347.572 4.355 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2scnc2C2CC2)CC1)CC1CC1 ZINC000495028019 1043099582 /nfs/dbraw/zinc/09/95/82/1043099582.db2.gz MASAJUYUVDSLQL-UHFFFAOYSA-N 1 3 347.572 4.355 20 0 EIADHO Cc1cccc2c(NC3CCN(Cc4ccccn4)CC3)c(C)c[nH+]c12 ZINC000185276271 1043169846 /nfs/dbraw/zinc/16/98/46/1043169846.db2.gz GWZZVUXWVKPJDC-UHFFFAOYSA-N 1 3 346.478 4.323 20 0 EIADHO CN(C/C=C\C[N@H+](C)Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000613366034 1043256632 /nfs/dbraw/zinc/25/66/32/1043256632.db2.gz SQGKZNXQACHGGP-ARJAWSKDSA-N 1 3 330.422 4.085 20 0 EIADHO CN(C/C=C\C[N@@H+](C)Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000613366034 1043256644 /nfs/dbraw/zinc/25/66/44/1043256644.db2.gz SQGKZNXQACHGGP-ARJAWSKDSA-N 1 3 330.422 4.085 20 0 EIADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665283665 1043688042 /nfs/dbraw/zinc/68/80/42/1043688042.db2.gz RYTLIWNDYGFXNR-QZNHQXDQSA-N 1 3 348.490 4.218 20 0 EIADHO CC(C)[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000542487821 1043799261 /nfs/dbraw/zinc/79/92/61/1043799261.db2.gz HPTICCGNSLVHSQ-BEFAXECRSA-N 1 3 345.487 4.085 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000194027918 1044244119 /nfs/dbraw/zinc/24/41/19/1044244119.db2.gz FBVDPBPAPAFXNI-STQMWFEESA-N 1 3 345.350 4.282 20 0 EIADHO CC1CCN(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494880278 1044463955 /nfs/dbraw/zinc/46/39/55/1044463955.db2.gz RXSSHALTDWKEBC-WIYYLYMNSA-N 1 3 348.506 4.005 20 0 EIADHO Cc1c(CN[C@H](CC[NH+](C)C)C(C)(C)C)sc2nc(C)nc(C)c12 ZINC000734849728 1044702349 /nfs/dbraw/zinc/70/23/49/1044702349.db2.gz JGTHMFIMWVWTLN-MRXNPFEDSA-N 1 3 348.560 4.073 20 0 EIADHO Cc1c(CN[C@@H](CC[NH+](C)C)C(C)(C)C)sc2nc(C)nc(C)c12 ZINC000734849727 1044702707 /nfs/dbraw/zinc/70/27/07/1044702707.db2.gz JGTHMFIMWVWTLN-INIZCTEOSA-N 1 3 348.560 4.073 20 0 EIADHO C[C@@H](NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N)cc1 ZINC001168028537 1044747730 /nfs/dbraw/zinc/74/77/30/1044747730.db2.gz PGIKSLUUXRPRBE-OKZBNKHCSA-N 1 3 337.511 4.361 20 0 EIADHO CC1([NH+]2CCC2)CCC(NCc2ccsc2Br)CC1 ZINC000922847257 1044994153 /nfs/dbraw/zinc/99/41/53/1044994153.db2.gz YGNVUBPQYHJYFT-UHFFFAOYSA-N 1 3 343.334 4.007 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168741227 1045230019 /nfs/dbraw/zinc/23/00/19/1045230019.db2.gz XLFIOEUITOUGAD-RCCFBDPRSA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168741227 1045230026 /nfs/dbraw/zinc/23/00/26/1045230026.db2.gz XLFIOEUITOUGAD-RCCFBDPRSA-N 1 3 332.919 4.146 20 0 EIADHO CCN1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](C)C1 ZINC000766259418 1045251527 /nfs/dbraw/zinc/25/15/27/1045251527.db2.gz YLSAAUYOGXAUSR-UGFHNGPFSA-N 1 3 343.298 4.137 20 0 EIADHO Clc1ccccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000237879434 1045398094 /nfs/dbraw/zinc/39/80/94/1045398094.db2.gz RBVANYBDTFEGHH-UHFFFAOYSA-N 1 3 328.887 4.137 20 0 EIADHO CCN(C)C[C@H]1CC[N@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006474 1046251107 /nfs/dbraw/zinc/25/11/07/1046251107.db2.gz BURJBNOXFDPDCB-QGZVFWFLSA-N 1 3 342.449 4.302 20 0 EIADHO CCN(C)C[C@H]1CC[N@@H+](CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006474 1046251122 /nfs/dbraw/zinc/25/11/22/1046251122.db2.gz BURJBNOXFDPDCB-QGZVFWFLSA-N 1 3 342.449 4.302 20 0 EIADHO CC[N@H+](C)C[C@H]1CCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006474 1046251144 /nfs/dbraw/zinc/25/11/44/1046251144.db2.gz BURJBNOXFDPDCB-QGZVFWFLSA-N 1 3 342.449 4.302 20 0 EIADHO CC[N@@H+](C)C[C@H]1CCN(CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000476006474 1046251164 /nfs/dbraw/zinc/25/11/64/1046251164.db2.gz BURJBNOXFDPDCB-QGZVFWFLSA-N 1 3 342.449 4.302 20 0 EIADHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C ZINC000508698030 1046329886 /nfs/dbraw/zinc/32/98/86/1046329886.db2.gz KSTQEXQRXZCKPL-GHTZIAJQSA-N 1 3 338.495 4.004 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)s2)C1 ZINC000125784716 1046344715 /nfs/dbraw/zinc/34/47/15/1046344715.db2.gz FLKUXUWKOIVNGJ-STQMWFEESA-N 1 3 345.350 4.282 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@@H](C)C1 ZINC000536660000 1046624545 /nfs/dbraw/zinc/62/45/45/1046624545.db2.gz SASDIZZBPCSPCK-DOTOQJQBSA-N 1 3 340.458 4.067 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@@H](C)C1 ZINC000536660000 1046624559 /nfs/dbraw/zinc/62/45/59/1046624559.db2.gz SASDIZZBPCSPCK-DOTOQJQBSA-N 1 3 340.458 4.067 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000536678538 1046664762 /nfs/dbraw/zinc/66/47/62/1046664762.db2.gz CASQGRBTSJJWQA-SWLSCSKDSA-N 1 3 346.849 4.104 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000536678538 1046664765 /nfs/dbraw/zinc/66/47/65/1046664765.db2.gz CASQGRBTSJJWQA-SWLSCSKDSA-N 1 3 346.849 4.104 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@@H](C)C1 ZINC000536682260 1046683654 /nfs/dbraw/zinc/68/36/54/1046683654.db2.gz BJCDJJXDORATLU-HRAATJIYSA-N 1 3 326.484 4.011 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@@H](C)C1 ZINC000536682260 1046683671 /nfs/dbraw/zinc/68/36/71/1046683671.db2.gz BJCDJJXDORATLU-HRAATJIYSA-N 1 3 326.484 4.011 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3ncccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644943 1046738090 /nfs/dbraw/zinc/73/80/90/1046738090.db2.gz HLTZUMXKXGYXQU-GCJKJVERSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3ncccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379644943 1046738105 /nfs/dbraw/zinc/73/81/05/1046738105.db2.gz HLTZUMXKXGYXQU-GCJKJVERSA-N 1 3 345.490 4.378 20 0 EIADHO CO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379645995 1046739792 /nfs/dbraw/zinc/73/97/92/1046739792.db2.gz IIKBSQKVVDTSQN-YUXAGFNASA-N 1 3 338.495 4.017 20 0 EIADHO CO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379645995 1046739803 /nfs/dbraw/zinc/73/98/03/1046739803.db2.gz IIKBSQKVVDTSQN-YUXAGFNASA-N 1 3 338.495 4.017 20 0 EIADHO CO[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379645728 1046740360 /nfs/dbraw/zinc/74/03/60/1046740360.db2.gz IIKBSQKVVDTSQN-BVYCBKJFSA-N 1 3 338.495 4.017 20 0 EIADHO CO[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379645728 1046740377 /nfs/dbraw/zinc/74/03/77/1046740377.db2.gz IIKBSQKVVDTSQN-BVYCBKJFSA-N 1 3 338.495 4.017 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3F)CC[N@@H+]1Cc1ccccc1 ZINC000379655814 1046760188 /nfs/dbraw/zinc/76/01/88/1046760188.db2.gz NEORSYVVVRCJQZ-RADWXHQJSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3F)CC[N@H+]1Cc1ccccc1 ZINC000379655814 1046760199 /nfs/dbraw/zinc/76/01/99/1046760199.db2.gz NEORSYVVVRCJQZ-RADWXHQJSA-N 1 3 338.470 4.456 20 0 EIADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)[C@@H](C)C1 ZINC000536853813 1046822901 /nfs/dbraw/zinc/82/29/01/1046822901.db2.gz VKXIFJNBZJUDMT-GHTZIAJQSA-N 1 3 338.495 4.086 20 0 EIADHO C[C@@H](NCc1cnc2ccccc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000536859148 1046826836 /nfs/dbraw/zinc/82/68/36/1046826836.db2.gz RTUGVHXGOQDZBI-QGZVFWFLSA-N 1 3 349.478 4.026 20 0 EIADHO CC(C)[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H](O)c1ccccc1 ZINC000788622280 1047251864 /nfs/dbraw/zinc/25/18/64/1047251864.db2.gz QPYNIWDAVGRGJV-YADHBBJMSA-N 1 3 344.543 4.131 20 0 EIADHO CC(C)[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](O)c1ccccc1 ZINC000788622280 1047251870 /nfs/dbraw/zinc/25/18/70/1047251870.db2.gz QPYNIWDAVGRGJV-YADHBBJMSA-N 1 3 344.543 4.131 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000129650718 1047457256 /nfs/dbraw/zinc/45/72/56/1047457256.db2.gz MGBXCGXGFDUUGO-XUWVNRHRSA-N 1 3 332.454 4.350 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](c2ccncc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000898321898 1047613766 /nfs/dbraw/zinc/61/37/66/1047613766.db2.gz DVUOAAQTSMSZTB-VOQZNFBZSA-N 1 3 335.495 4.175 20 0 EIADHO C[C@@H]1C[C@@H](N[C@@H](c2ccncc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000898321898 1047613773 /nfs/dbraw/zinc/61/37/73/1047613773.db2.gz DVUOAAQTSMSZTB-VOQZNFBZSA-N 1 3 335.495 4.175 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](c2ccncc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000898321899 1047615410 /nfs/dbraw/zinc/61/54/10/1047615410.db2.gz DVUOAAQTSMSZTB-WTNAPCKOSA-N 1 3 335.495 4.175 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](c2ccncc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000898321899 1047615415 /nfs/dbraw/zinc/61/54/15/1047615415.db2.gz DVUOAAQTSMSZTB-WTNAPCKOSA-N 1 3 335.495 4.175 20 0 EIADHO Cc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)s1 ZINC000556408031 1047739525 /nfs/dbraw/zinc/73/95/25/1047739525.db2.gz TYNYPZWDSZSRGC-UHFFFAOYSA-N 1 3 344.524 4.128 20 0 EIADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1 ZINC000556589893 1047834752 /nfs/dbraw/zinc/83/47/52/1047834752.db2.gz QPMLMMWPJMIJCC-XWDORNJCSA-N 1 3 330.516 4.041 20 0 EIADHO C[C@@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1(Cl)Cl ZINC000824971539 1048013114 /nfs/dbraw/zinc/01/31/14/1048013114.db2.gz SWKIQCWAHZRGIZ-MRXNPFEDSA-N 1 3 333.347 4.347 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@H]3CC3(Cl)Cl)C2)s1 ZINC000844327417 1048286298 /nfs/dbraw/zinc/28/62/98/1048286298.db2.gz CIFRSXNLMBQUAK-ZIAGYGMSSA-N 1 3 347.355 4.004 20 0 EIADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@H]3CC3(Cl)Cl)C2)s1 ZINC000844327417 1048286320 /nfs/dbraw/zinc/28/63/20/1048286320.db2.gz CIFRSXNLMBQUAK-ZIAGYGMSSA-N 1 3 347.355 4.004 20 0 EIADHO CN(C)c1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499126486 1048304525 /nfs/dbraw/zinc/30/45/25/1048304525.db2.gz WPPIZEHJKPAYEC-KOUNCHBCSA-N 1 3 349.522 4.038 20 0 EIADHO Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499153571 1048363432 /nfs/dbraw/zinc/36/34/32/1048363432.db2.gz RVFXRCBDDJZJFB-VWNVYAMZSA-N 1 3 348.490 4.165 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815622221 1048547675 /nfs/dbraw/zinc/54/76/75/1048547675.db2.gz PRERQPXJGDLASI-MJGOQNOKSA-N 1 3 326.459 4.307 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815622221 1048547697 /nfs/dbraw/zinc/54/76/97/1048547697.db2.gz PRERQPXJGDLASI-MJGOQNOKSA-N 1 3 326.459 4.307 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000844923934 1048549255 /nfs/dbraw/zinc/54/92/55/1048549255.db2.gz ISYUSILBQILPGF-NSHDSACASA-N 1 3 338.282 4.146 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000844924856 1048549476 /nfs/dbraw/zinc/54/94/76/1048549476.db2.gz RJZKQDZQHXUYPG-CQSZACIVSA-N 1 3 332.875 4.227 20 0 EIADHO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CCCCCC[NH3+] ZINC000846219416 1048843650 /nfs/dbraw/zinc/84/36/50/1048843650.db2.gz QLOXHHPYNDYYQU-INIZCTEOSA-N 1 3 340.943 4.157 20 0 EIADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](c1ccccc1)C1CCOCC1 ZINC000817893255 1049054001 /nfs/dbraw/zinc/05/40/01/1049054001.db2.gz DENAWHDATNESNL-DUXKGJEZSA-N 1 3 330.516 4.055 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000817912501 1049059636 /nfs/dbraw/zinc/05/96/36/1049059636.db2.gz VHKANXZUNWIEED-BTIFBSDPSA-N 1 3 334.463 4.080 20 0 EIADHO Cc1cc(Cl)c2c(c1)[C@@H](NCc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817950278 1049063360 /nfs/dbraw/zinc/06/33/60/1049063360.db2.gz XQWVEDYKZPTWKZ-IBGZPJMESA-N 1 3 344.886 4.153 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1ccc(CC[NH3+])cc1 ZINC000817948411 1049063570 /nfs/dbraw/zinc/06/35/70/1049063570.db2.gz JIMRGFDQSCDWFJ-LJQANCHMSA-N 1 3 344.886 4.153 20 0 EIADHO COc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1SC(F)F ZINC000817960107 1049068495 /nfs/dbraw/zinc/06/84/95/1049068495.db2.gz KNYMNEZWLGMZAZ-YUTCNCBUSA-N 1 3 344.471 4.178 20 0 EIADHO FC(F)Sc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000817967840 1049072045 /nfs/dbraw/zinc/07/20/45/1049072045.db2.gz CSNFXXATLNUJKQ-CJNGLKHVSA-N 1 3 326.456 4.110 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccnc(Cl)c2Cl)C1 ZINC000811474206 1049093542 /nfs/dbraw/zinc/09/35/42/1049093542.db2.gz FJOIUHUBXYAABB-ZIAGYGMSSA-N 1 3 344.330 4.236 20 0 EIADHO Clc1nccc(CNCCCCC[NH+]2CCCCC2)c1Cl ZINC000811477685 1049097387 /nfs/dbraw/zinc/09/73/87/1049097387.db2.gz CIVYKWHMZFCMHX-UHFFFAOYSA-N 1 3 330.303 4.134 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677655 1049468099 /nfs/dbraw/zinc/46/80/99/1049468099.db2.gz RFFURAHGLHPMQH-KRWDZBQOSA-N 1 3 336.470 4.065 20 0 EIADHO CCC(CC)[NH+]1CCC(N[C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170677655 1049468106 /nfs/dbraw/zinc/46/81/06/1049468106.db2.gz RFFURAHGLHPMQH-KRWDZBQOSA-N 1 3 336.470 4.065 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1(C)C ZINC001171349277 1049499785 /nfs/dbraw/zinc/49/97/85/1049499785.db2.gz HNXQYSDOQXXJRK-OAHLLOKOSA-N 1 3 336.470 4.063 20 0 EIADHO Fc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001171411892 1049646878 /nfs/dbraw/zinc/64/68/78/1049646878.db2.gz PDNQTUYUKTXOLA-SFHVURJKSA-N 1 3 330.491 4.070 20 0 EIADHO Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001171411889 1049647098 /nfs/dbraw/zinc/64/70/98/1049647098.db2.gz PDNQTUYUKTXOLA-GOSISDBHSA-N 1 3 330.491 4.070 20 0 EIADHO Fc1cccc2c1CC[C@H](N1CCCC[C@@H]1CC[NH+]1CCCC1)C2 ZINC001171434018 1049674872 /nfs/dbraw/zinc/67/48/72/1049674872.db2.gz PMPLLEMGYBUIAV-MOPGFXCFSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171434018 1049674877 /nfs/dbraw/zinc/67/48/77/1049674877.db2.gz PMPLLEMGYBUIAV-MOPGFXCFSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001171434018 1049674882 /nfs/dbraw/zinc/67/48/82/1049674882.db2.gz PMPLLEMGYBUIAV-MOPGFXCFSA-N 1 3 330.491 4.023 20 0 EIADHO CN1C(C)(C)CC([NH2+]CCCCCCCCCCO)CC1(C)C ZINC001171623572 1049767654 /nfs/dbraw/zinc/76/76/54/1049767654.db2.gz CPVTWLRMWRNQKZ-UHFFFAOYSA-N 1 3 326.569 4.341 20 0 EIADHO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623435 1049768488 /nfs/dbraw/zinc/76/84/88/1049768488.db2.gz YQKYCNPAGVRNQK-QGZVFWFLSA-N 1 3 332.532 4.312 20 0 EIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000245535849 1049768818 /nfs/dbraw/zinc/76/88/18/1049768818.db2.gz KSBHPZQJGDIKMT-JKSUJKDBSA-N 1 3 335.561 4.185 20 0 EIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000245535849 1049768827 /nfs/dbraw/zinc/76/88/27/1049768827.db2.gz KSBHPZQJGDIKMT-JKSUJKDBSA-N 1 3 335.561 4.185 20 0 EIADHO C[C@@H](CN)C[N@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648207 1049769892 /nfs/dbraw/zinc/76/98/92/1049769892.db2.gz QNVULFCTQMFYHT-KTAKPFMOSA-N 1 3 339.321 4.002 20 0 EIADHO C[C@@H](CN)C[N@@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648207 1049769897 /nfs/dbraw/zinc/76/98/97/1049769897.db2.gz QNVULFCTQMFYHT-KTAKPFMOSA-N 1 3 339.321 4.002 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706775 1049776249 /nfs/dbraw/zinc/77/62/49/1049776249.db2.gz MACDXJRERGAPMZ-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706775 1049776257 /nfs/dbraw/zinc/77/62/57/1049776257.db2.gz MACDXJRERGAPMZ-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706775 1049776263 /nfs/dbraw/zinc/77/62/63/1049776263.db2.gz MACDXJRERGAPMZ-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706775 1049776274 /nfs/dbraw/zinc/77/62/74/1049776274.db2.gz MACDXJRERGAPMZ-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1(C)C ZINC001171637900 1049779885 /nfs/dbraw/zinc/77/98/85/1049779885.db2.gz RNUZKSLCKTUEMU-UHFFFAOYSA-N 1 3 348.506 4.320 20 0 EIADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3ccc(F)cc3)CC2)CC1(C)C ZINC001171637900 1049779889 /nfs/dbraw/zinc/77/98/89/1049779889.db2.gz RNUZKSLCKTUEMU-UHFFFAOYSA-N 1 3 348.506 4.320 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccc(Br)cc31)C2 ZINC001172100724 1049849700 /nfs/dbraw/zinc/84/97/00/1049849700.db2.gz SAJLWFITLYEEDK-CUSZFKRNSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccc(Br)cc31)C2 ZINC001172100724 1049849702 /nfs/dbraw/zinc/84/97/02/1049849702.db2.gz SAJLWFITLYEEDK-CUSZFKRNSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(Br)cc31)C2 ZINC001172100726 1049850196 /nfs/dbraw/zinc/85/01/96/1049850196.db2.gz SAJLWFITLYEEDK-KYHPRHEASA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(Br)cc31)C2 ZINC001172100726 1049850199 /nfs/dbraw/zinc/85/01/99/1049850199.db2.gz SAJLWFITLYEEDK-KYHPRHEASA-N 1 3 349.316 4.041 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001172106921 1049857141 /nfs/dbraw/zinc/85/71/41/1049857141.db2.gz QUJRCKLOWCHQCL-QDMKHBRRSA-N 1 3 346.824 4.464 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(C(F)(F)F)cc31)C2 ZINC001172110676 1049858911 /nfs/dbraw/zinc/85/89/11/1049858911.db2.gz LIWXPSIRGKURKA-XLMAVXFVSA-N 1 3 338.417 4.298 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(C(F)(F)F)cc31)C2 ZINC001172110676 1049858915 /nfs/dbraw/zinc/85/89/15/1049858915.db2.gz LIWXPSIRGKURKA-XLMAVXFVSA-N 1 3 338.417 4.298 20 0 EIADHO CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124293 1049859861 /nfs/dbraw/zinc/85/98/61/1049859861.db2.gz KKJWEGURDRXURG-BJWYYQGGSA-N 1 3 326.406 4.153 20 0 EIADHO CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124293 1049859867 /nfs/dbraw/zinc/85/98/67/1049859867.db2.gz KKJWEGURDRXURG-BJWYYQGGSA-N 1 3 326.406 4.153 20 0 EIADHO Clc1cccc2c1CC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC001171022025 1049863132 /nfs/dbraw/zinc/86/31/32/1049863132.db2.gz ISDIAFSEPZERBA-QGZVFWFLSA-N 1 3 332.919 4.194 20 0 EIADHO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172353288 1049892956 /nfs/dbraw/zinc/89/29/56/1049892956.db2.gz MRBISUBCKLSHFM-UXHICEINSA-N 1 3 344.543 4.178 20 0 EIADHO CCOCC[C@H](C)N1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172427493 1049901036 /nfs/dbraw/zinc/90/10/36/1049901036.db2.gz OXTMPMIBXBNNMO-INIZCTEOSA-N 1 3 338.923 4.051 20 0 EIADHO CCOCC[C@H](C)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172427493 1049901037 /nfs/dbraw/zinc/90/10/37/1049901037.db2.gz OXTMPMIBXBNNMO-INIZCTEOSA-N 1 3 338.923 4.051 20 0 EIADHO [NH3+]C1(c2cccc(F)c2)CCN([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172558887 1049933610 /nfs/dbraw/zinc/93/36/10/1049933610.db2.gz XZZHGVKDBYIPIB-NQIIRXRSSA-N 1 3 338.470 4.412 20 0 EIADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[C@H]1CCCN1C ZINC001172568173 1049938111 /nfs/dbraw/zinc/93/81/11/1049938111.db2.gz OXUPDLNJZHBXJM-GXTWGEPZSA-N 1 3 330.850 4.013 20 0 EIADHO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001172715253 1049972645 /nfs/dbraw/zinc/97/26/45/1049972645.db2.gz GRMNECHAXGCMBW-OAQYLSRUSA-N 1 3 346.946 4.442 20 0 EIADHO Clc1ccc2c(c1)C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001172715253 1049972651 /nfs/dbraw/zinc/97/26/51/1049972651.db2.gz GRMNECHAXGCMBW-OAQYLSRUSA-N 1 3 346.946 4.442 20 0 EIADHO C[C@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1cncc(F)c1 ZINC000247231012 1050017572 /nfs/dbraw/zinc/01/75/72/1050017572.db2.gz WYOBNXHURKUDDL-GRXQJBFDSA-N 1 3 341.474 4.028 20 0 EIADHO CCC[NH+]1CCC(N[C@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172876271 1050216704 /nfs/dbraw/zinc/21/67/04/1050216704.db2.gz YQFJMRCELPXJER-CQSZACIVSA-N 1 3 326.937 4.285 20 0 EIADHO Cc1cc(Br)cc(CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000774976402 1050243261 /nfs/dbraw/zinc/24/32/61/1050243261.db2.gz MRCRVIKKPXJAKD-UHFFFAOYSA-N 1 3 347.300 4.109 20 0 EIADHO CCCOC1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001173095283 1050288399 /nfs/dbraw/zinc/28/83/99/1050288399.db2.gz BIWSQJHIKFVOCL-JSOIOWGOSA-N 1 3 334.548 4.135 20 0 EIADHO CC[NH+](CC)C1CCC(N(CC(=O)c2ccccc2)C(C)C)CC1 ZINC001173113260 1050311169 /nfs/dbraw/zinc/31/11/69/1050311169.db2.gz LWMCHSOWUZRHQX-UHFFFAOYSA-N 1 3 330.516 4.233 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2cccc(F)c2F)C[N@@H+]1Cc1ccccc1 ZINC001178208286 1050404381 /nfs/dbraw/zinc/40/43/81/1050404381.db2.gz KYQLEIDDVKHLAH-AEFFLSMTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2cccc(F)c2F)C[N@H+]1Cc1ccccc1 ZINC001178208286 1050404388 /nfs/dbraw/zinc/40/43/88/1050404388.db2.gz KYQLEIDDVKHLAH-AEFFLSMTSA-N 1 3 344.449 4.355 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001178284840 1050428073 /nfs/dbraw/zinc/42/80/73/1050428073.db2.gz CTZVDLJPZFNAEF-DNVJHFABSA-N 1 3 334.507 4.385 20 0 EIADHO Cc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001178284840 1050428082 /nfs/dbraw/zinc/42/80/82/1050428082.db2.gz CTZVDLJPZFNAEF-DNVJHFABSA-N 1 3 334.507 4.385 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2c1CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001178331334 1050439474 /nfs/dbraw/zinc/43/94/74/1050439474.db2.gz QCNMOXNMEMRELY-PGRDOPGGSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@H](NCc1cccc2c1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178331334 1050439480 /nfs/dbraw/zinc/43/94/80/1050439480.db2.gz QCNMOXNMEMRELY-PGRDOPGGSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@H](NCc1cccc2c1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178331334 1050439492 /nfs/dbraw/zinc/43/94/92/1050439492.db2.gz QCNMOXNMEMRELY-PGRDOPGGSA-N 1 3 334.507 4.176 20 0 EIADHO CCCN1C[C@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]2C1 ZINC001173690880 1050542674 /nfs/dbraw/zinc/54/26/74/1050542674.db2.gz CENHUYCRFGJCRZ-VMDDHHINSA-N 1 3 338.539 4.087 20 0 EIADHO CC[N@H+](CCCN[C@H]1CCc2ccc(OC)cc2C1)C1CCCCC1 ZINC001179090989 1050629889 /nfs/dbraw/zinc/62/98/89/1050629889.db2.gz MVLUQULHJWRAJG-FQEVSTJZSA-N 1 3 344.543 4.187 20 0 EIADHO CC[N@@H+](CCCN[C@H]1CCc2ccc(OC)cc2C1)C1CCCCC1 ZINC001179090989 1050629897 /nfs/dbraw/zinc/62/98/97/1050629897.db2.gz MVLUQULHJWRAJG-FQEVSTJZSA-N 1 3 344.543 4.187 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccccc1N(C)C ZINC000093942347 1050723787 /nfs/dbraw/zinc/72/37/87/1050723787.db2.gz KKPAILRFHCQAGF-SFHVURJKSA-N 1 3 339.527 4.444 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccccc1N(C)C ZINC000093942347 1050723793 /nfs/dbraw/zinc/72/37/93/1050723793.db2.gz KKPAILRFHCQAGF-SFHVURJKSA-N 1 3 339.527 4.444 20 0 EIADHO c1cc2c(cc1CN1CCC(C[NH+]3CCCCCC3)CC1)CCCO2 ZINC001180125186 1050893010 /nfs/dbraw/zinc/89/30/10/1050893010.db2.gz VCOMISZYCHJIES-UHFFFAOYSA-N 1 3 342.527 4.100 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC001180225305 1050920964 /nfs/dbraw/zinc/92/09/64/1050920964.db2.gz QDSYIINWSJOSGH-GOSISDBHSA-N 1 3 341.543 4.047 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC001180225305 1050920968 /nfs/dbraw/zinc/92/09/68/1050920968.db2.gz QDSYIINWSJOSGH-GOSISDBHSA-N 1 3 341.543 4.047 20 0 EIADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001180302567 1050943898 /nfs/dbraw/zinc/94/38/98/1050943898.db2.gz ZLYNMXDPUBINFN-KDXIVRHGSA-N 1 3 326.528 4.455 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC001180301652 1050944727 /nfs/dbraw/zinc/94/47/27/1050944727.db2.gz OUDFYHZMGVUPNG-GUGJDKNPSA-N 1 3 326.528 4.455 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1CN1CCCCC1 ZINC000183200649 1051013161 /nfs/dbraw/zinc/01/31/61/1051013161.db2.gz BCULLTSCEAWBKP-INIZCTEOSA-N 1 3 348.556 4.227 20 0 EIADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC001180540033 1051028425 /nfs/dbraw/zinc/02/84/25/1051028425.db2.gz FVJWQLOCJVAOIS-FGZHOGPDSA-N 1 3 326.528 4.447 20 0 EIADHO C[C@@]1(c2ccccc2)CC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001180540033 1051028440 /nfs/dbraw/zinc/02/84/40/1051028440.db2.gz FVJWQLOCJVAOIS-FGZHOGPDSA-N 1 3 326.528 4.447 20 0 EIADHO COc1ccc(SCCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180795292 1051080430 /nfs/dbraw/zinc/08/04/30/1051080430.db2.gz UOTZOKJBQUHDPF-SJORKVTESA-N 1 3 348.556 4.030 20 0 EIADHO COc1ccc(SCCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180795292 1051080447 /nfs/dbraw/zinc/08/04/47/1051080447.db2.gz UOTZOKJBQUHDPF-SJORKVTESA-N 1 3 348.556 4.030 20 0 EIADHO CC[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076154976 1051117763 /nfs/dbraw/zinc/11/77/63/1051117763.db2.gz NXIQTPMSWCYOOB-LJQANCHMSA-N 1 3 343.902 4.079 20 0 EIADHO CC[N@H+](Cc1ccc(Cl)nc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076154976 1051117771 /nfs/dbraw/zinc/11/77/71/1051117771.db2.gz NXIQTPMSWCYOOB-LJQANCHMSA-N 1 3 343.902 4.079 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2cccs2)ccc1OC ZINC000775362108 1051128013 /nfs/dbraw/zinc/12/80/13/1051128013.db2.gz FMCOVMPTNBNZIA-INIZCTEOSA-N 1 3 346.540 4.492 20 0 EIADHO CC(C)(C)[C@]1(C[NH2+][C@H]2CSC2(C)C)CCN(Cc2ccccc2)C1 ZINC001181204823 1051180252 /nfs/dbraw/zinc/18/02/52/1051180252.db2.gz IMBBSNPNWGJUDA-RXVVDRJESA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@]1(CN[C@H]2CSC2(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181204823 1051180262 /nfs/dbraw/zinc/18/02/62/1051180262.db2.gz IMBBSNPNWGJUDA-RXVVDRJESA-N 1 3 346.584 4.408 20 0 EIADHO CC(C)(C)[C@]1(CN[C@H]2CSC2(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181204823 1051180272 /nfs/dbraw/zinc/18/02/72/1051180272.db2.gz IMBBSNPNWGJUDA-RXVVDRJESA-N 1 3 346.584 4.408 20 0 EIADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccc1 ZINC000716654491 1051276435 /nfs/dbraw/zinc/27/64/35/1051276435.db2.gz HYVSFXPFRWMOLX-IYSOMAHNSA-N 1 3 334.507 4.433 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1CN1CCCCC1 ZINC000775425294 1051317150 /nfs/dbraw/zinc/31/71/50/1051317150.db2.gz XOENLWBRRLWMMG-IAGOWNOFSA-N 1 3 341.499 4.421 20 0 EIADHO COc1ccc([C@H](C)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000154873252 1051346990 /nfs/dbraw/zinc/34/69/90/1051346990.db2.gz UFPRYDRLQIXZSL-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO COc1ccc([C@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000154873252 1051347002 /nfs/dbraw/zinc/34/70/02/1051347002.db2.gz UFPRYDRLQIXZSL-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO c1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)cc1 ZINC000155269389 1051398681 /nfs/dbraw/zinc/39/86/81/1051398681.db2.gz RHVSVJWHKBVIDY-UNMCSNQZSA-N 1 3 342.527 4.293 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311009194 1051452106 /nfs/dbraw/zinc/45/21/06/1051452106.db2.gz WXUZODRPQNQOLU-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2cc[nH]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311009194 1051452117 /nfs/dbraw/zinc/45/21/17/1051452117.db2.gz WXUZODRPQNQOLU-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2cc[nH]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311009194 1051452125 /nfs/dbraw/zinc/45/21/25/1051452125.db2.gz WXUZODRPQNQOLU-LAUBAEHRSA-N 1 3 333.479 4.168 20 0 EIADHO CC1(C)C(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1(C)C ZINC000716674266 1051499520 /nfs/dbraw/zinc/49/95/20/1051499520.db2.gz XAOUHSXPEYKUCH-FHWLQOOXSA-N 1 3 326.528 4.311 20 0 EIADHO C[C@H]([NH2+]Cc1nccc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775495800 1051601714 /nfs/dbraw/zinc/60/17/14/1051601714.db2.gz AFWHWTHUFHYYQM-GHTZIAJQSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158103381 1051711984 /nfs/dbraw/zinc/71/19/84/1051711984.db2.gz BFFSAQLGOJJYKT-ZIAGYGMSSA-N 1 3 328.472 4.036 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)F)cc1 ZINC000158103381 1051711989 /nfs/dbraw/zinc/71/19/89/1051711989.db2.gz BFFSAQLGOJJYKT-ZIAGYGMSSA-N 1 3 328.472 4.036 20 0 EIADHO CC[NH+]1CCC(N[C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000159280575 1051969272 /nfs/dbraw/zinc/96/92/72/1051969272.db2.gz OJWNBLIAQGIGJL-QGZVFWFLSA-N 1 3 338.495 4.497 20 0 EIADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc(F)cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001184303251 1051982815 /nfs/dbraw/zinc/98/28/15/1051982815.db2.gz NZSBTSAGSRRTRN-GRDNDAEWSA-N 1 3 344.396 4.007 20 0 EIADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2cccc3n[nH]cc32)C1 ZINC000623357957 1052630968 /nfs/dbraw/zinc/63/09/68/1052630968.db2.gz IXFVMUTVALEXQW-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2cccc3n[nH]cc32)C1 ZINC000623357957 1052630973 /nfs/dbraw/zinc/63/09/73/1052630973.db2.gz IXFVMUTVALEXQW-QGZVFWFLSA-N 1 3 348.494 4.085 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000624112846 1052865809 /nfs/dbraw/zinc/86/58/09/1052865809.db2.gz NHDFNVCOWVQAJD-PXNSSMCTSA-N 1 3 343.559 4.300 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)nc1 ZINC000624112570 1052866269 /nfs/dbraw/zinc/86/62/69/1052866269.db2.gz CMFVELTUTLBBLR-UYAOXDASSA-N 1 3 343.559 4.300 20 0 EIADHO C[C@H]1C[C@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@@H+]1C ZINC000181798873 1052898121 /nfs/dbraw/zinc/89/81/21/1052898121.db2.gz KQODMOVTXGVFBR-XJKSGUPXSA-N 1 3 349.931 4.078 20 0 EIADHO C[C@H]1C[C@H](NCCc2csc(-c3ccc(Cl)cc3)n2)CC[N@H+]1C ZINC000181798873 1052898124 /nfs/dbraw/zinc/89/81/24/1052898124.db2.gz KQODMOVTXGVFBR-XJKSGUPXSA-N 1 3 349.931 4.078 20 0 EIADHO c1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc(C2CCCC2)c1 ZINC000850135861 1053075668 /nfs/dbraw/zinc/07/56/68/1053075668.db2.gz RTFJKECQTFNMQN-JOCHJYFZSA-N 1 3 342.527 4.077 20 0 EIADHO COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000119684117 1053090320 /nfs/dbraw/zinc/09/03/20/1053090320.db2.gz DXAZOJNMBLSJMM-NLWGTHIKSA-N 1 3 344.543 4.259 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382069725 1053135776 /nfs/dbraw/zinc/13/57/76/1053135776.db2.gz RWYAIVIHTITHSO-VQIMIIECSA-N 1 3 328.887 4.340 20 0 EIADHO c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)nc1 ZINC000850387302 1053156632 /nfs/dbraw/zinc/15/66/32/1053156632.db2.gz QQGGLMOQBNZEKR-XMSQKQJNSA-N 1 3 341.543 4.180 20 0 EIADHO Cc1ccc2c(c1)[C@@H](NCc1ccccc1OCC[NH+](C)C)CCC2 ZINC000339070520 1053341193 /nfs/dbraw/zinc/34/11/93/1053341193.db2.gz ZJWQYWOQQWEPRG-NRFANRHFSA-N 1 3 338.495 4.103 20 0 EIADHO COc1ccc2c(NC[C@H](c3cccs3)N(C)C)cc[nH+]c2c1 ZINC000765452345 1053555685 /nfs/dbraw/zinc/55/56/85/1053555685.db2.gz FIDRKWZIJNXDGN-QGZVFWFLSA-N 1 3 327.453 4.020 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000866237027 1053658672 /nfs/dbraw/zinc/65/86/72/1053658672.db2.gz GUGNOZWRHUHACN-NRFANRHFSA-N 1 3 325.500 4.410 20 0 EIADHO CCN(CC)Cc1cccc(N2C[C@@H](CC[NH3+])c3ccccc32)c1F ZINC001168547557 1053780593 /nfs/dbraw/zinc/78/05/93/1053780593.db2.gz FNGABIHKXBCKQY-MRXNPFEDSA-N 1 3 341.474 4.252 20 0 EIADHO C[C@H](C[NH2+]C[C@H](C)CN1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001199403019 1054406906 /nfs/dbraw/zinc/40/69/06/1054406906.db2.gz CPARZYLOOUFSPJ-OALUTQOASA-N 1 3 330.560 4.484 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173387747 1054556030 /nfs/dbraw/zinc/55/60/30/1054556030.db2.gz CIUHDTVTKQXEAV-MRXNPFEDSA-N 1 3 342.483 4.006 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000173387747 1054556053 /nfs/dbraw/zinc/55/60/53/1054556053.db2.gz CIUHDTVTKQXEAV-MRXNPFEDSA-N 1 3 342.483 4.006 20 0 EIADHO C[C@H]([NH2+]C/C=C/c1cccc(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001201705171 1054882488 /nfs/dbraw/zinc/88/24/88/1054882488.db2.gz XGJFNCNFSCXVHX-MNVLBWLKSA-N 1 3 338.470 4.339 20 0 EIADHO CC(C)(C)N1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876947565 1054986815 /nfs/dbraw/zinc/98/68/15/1054986815.db2.gz CJYUXMUIYQAKNK-UHFFFAOYSA-N 1 3 337.920 4.302 20 0 EIADHO Clc1ccc2sc(C[NH2+]C3CCN(C4CCCC4)CC3)cc2n1 ZINC000877086105 1055016143 /nfs/dbraw/zinc/01/61/43/1055016143.db2.gz YZGNBNRIPDMWFR-UHFFFAOYSA-N 1 3 349.931 4.446 20 0 EIADHO Clc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC000863546966 1055227188 /nfs/dbraw/zinc/22/71/88/1055227188.db2.gz IHQSPCNWBZKBSZ-SXLOBPIMSA-N 1 3 326.871 4.410 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001169097534 1060632738 /nfs/dbraw/zinc/63/27/38/1060632738.db2.gz BBUYHALNPABCDP-BTTYYORXSA-N 1 3 332.797 4.074 20 0 EIADHO CC1(C)C[C@H](Nc2cc(CN3CCCCC3)ccn2)C[C@](C)(C[NH3+])C1 ZINC001169140943 1060661060 /nfs/dbraw/zinc/66/10/60/1060661060.db2.gz ICECNJSBYUWCRV-RXVVDRJESA-N 1 3 344.547 4.023 20 0 EIADHO Cc1ccc2c(C3=CC[N@H+](CC[C@H]4CCCCN4C)CC3)c[nH]c2c1 ZINC000533029103 1032446239 /nfs/dbraw/zinc/44/62/39/1032446239.db2.gz NDUMJVOUZQIQAE-LJQANCHMSA-N 1 3 337.511 4.440 20 0 EIADHO Cc1ccc2c(C3=CC[N@@H+](CC[C@H]4CCCCN4C)CC3)c[nH]c2c1 ZINC000533029103 1032446242 /nfs/dbraw/zinc/44/62/42/1032446242.db2.gz NDUMJVOUZQIQAE-LJQANCHMSA-N 1 3 337.511 4.440 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2ccccc2c1 ZINC000398182556 1020526330 /nfs/dbraw/zinc/52/63/30/1020526330.db2.gz XHRNVYBEYQWKRG-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2ccccc2c1 ZINC000398182556 1020526346 /nfs/dbraw/zinc/52/63/46/1020526346.db2.gz XHRNVYBEYQWKRG-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO CC[NH+]1CCC(CCNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000511363545 1021302770 /nfs/dbraw/zinc/30/27/70/1021302770.db2.gz AFEZKJFAXCFOLS-UHFFFAOYSA-N 1 3 345.512 4.037 20 0 EIADHO C[N@@H+]1CCC[C@@H](CNCc2cc3ccccc3[nH]2)[C@H]1c1cccs1 ZINC000683930266 1022000009 /nfs/dbraw/zinc/00/00/09/1022000009.db2.gz YITXFXZDCDRIGH-JXFKEZNVSA-N 1 3 339.508 4.402 20 0 EIADHO C[N@H+]1CCC[C@@H](CNCc2cc3ccccc3[nH]2)[C@H]1c1cccs1 ZINC000683930266 1022000021 /nfs/dbraw/zinc/00/00/21/1022000021.db2.gz YITXFXZDCDRIGH-JXFKEZNVSA-N 1 3 339.508 4.402 20 0 EIADHO COc1ccsc1[C@@H](C)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000471580446 1022063445 /nfs/dbraw/zinc/06/34/45/1022063445.db2.gz IFUKFAYONTXUKZ-JKSUJKDBSA-N 1 3 332.513 4.318 20 0 EIADHO COc1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C ZINC000580945767 1022734718 /nfs/dbraw/zinc/73/47/18/1022734718.db2.gz ZVIQVSWXRBGARS-YLJYHZDGSA-N 1 3 344.524 4.238 20 0 EIADHO COc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1C ZINC000580945767 1022734731 /nfs/dbraw/zinc/73/47/31/1022734731.db2.gz ZVIQVSWXRBGARS-YLJYHZDGSA-N 1 3 344.524 4.238 20 0 EIADHO CC[NH+]1CCC(N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545457557 1022853629 /nfs/dbraw/zinc/85/36/29/1022853629.db2.gz GJENLTXWOBVXET-HXUWFJFHSA-N 1 3 343.902 4.093 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000545461206 1022870257 /nfs/dbraw/zinc/87/02/57/1022870257.db2.gz SEMYOSDJWXHMQS-YSGRDPCXSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000545461206 1022870260 /nfs/dbraw/zinc/87/02/60/1022870260.db2.gz SEMYOSDJWXHMQS-YSGRDPCXSA-N 1 3 343.902 4.091 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCc3nc(C)sc32)c1 ZINC000163564087 1022895678 /nfs/dbraw/zinc/89/56/78/1022895678.db2.gz BUAOZLZYUOKBGH-SFHVURJKSA-N 1 3 343.540 4.461 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCCc3nc(C)sc32)cc1 ZINC000163572138 1022925388 /nfs/dbraw/zinc/92/53/88/1022925388.db2.gz DQNYRWDDBUQBNH-SFHVURJKSA-N 1 3 343.540 4.461 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000624120501 1023085552 /nfs/dbraw/zinc/08/55/52/1023085552.db2.gz ALQHHGVSMURXMY-LSDHHAIUSA-N 1 3 344.421 4.010 20 0 EIADHO Cc1c[nH+]ccc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000584686516 1023187219 /nfs/dbraw/zinc/18/72/19/1023187219.db2.gz ZJWVALBPPQWTLR-UHFFFAOYSA-N 1 3 349.400 4.121 20 0 EIADHO CC[C@H](c1ccc(Br)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000472647266 1023308633 /nfs/dbraw/zinc/30/86/33/1023308633.db2.gz FELSKLHJLFWBJS-QGZVFWFLSA-N 1 3 339.321 4.174 20 0 EIADHO Fc1ccc([C@@H](NCC2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415087968 1023437211 /nfs/dbraw/zinc/43/72/11/1023437211.db2.gz WSADBPQYNAQLQC-LJQANCHMSA-N 1 3 332.850 4.158 20 0 EIADHO c1ccc([C@H]2C[C@@H](NCCOc3cccc4ccccc43)CC[NH2+]2)cc1 ZINC000415093829 1023439314 /nfs/dbraw/zinc/43/93/14/1023439314.db2.gz WEZHASLTYYDVHJ-RBBKRZOGSA-N 1 3 346.474 4.302 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000656684045 1023441106 /nfs/dbraw/zinc/44/11/06/1023441106.db2.gz SPPHYPUKNQKGQJ-NRFANRHFSA-N 1 3 341.474 4.174 20 0 EIADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2CCC2CCCCC2)CC1 ZINC000500068990 1023482441 /nfs/dbraw/zinc/48/24/41/1023482441.db2.gz FEDLVAWSJJUKSV-QFIPXVFZSA-N 1 3 349.607 4.227 20 0 EIADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2CCC2CCCCC2)CC1 ZINC000500068990 1023482454 /nfs/dbraw/zinc/48/24/54/1023482454.db2.gz FEDLVAWSJJUKSV-QFIPXVFZSA-N 1 3 349.607 4.227 20 0 EIADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075196 1023483768 /nfs/dbraw/zinc/48/37/68/1023483768.db2.gz OOSYAWYCRPPOLI-LSDHHAIUSA-N 1 3 328.422 4.083 20 0 EIADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075196 1023483779 /nfs/dbraw/zinc/48/37/79/1023483779.db2.gz OOSYAWYCRPPOLI-LSDHHAIUSA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075196 1023483790 /nfs/dbraw/zinc/48/37/90/1023483790.db2.gz OOSYAWYCRPPOLI-LSDHHAIUSA-N 1 3 328.422 4.083 20 0 EIADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500075196 1023483796 /nfs/dbraw/zinc/48/37/96/1023483796.db2.gz OOSYAWYCRPPOLI-LSDHHAIUSA-N 1 3 328.422 4.083 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+]C(C3CCC3)C3CCC3)C2)cc1 ZINC000549237397 1023514324 /nfs/dbraw/zinc/51/43/24/1023514324.db2.gz OMFZOSGKFQEAEF-IBGZPJMESA-N 1 3 326.528 4.109 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001167753036 1023629015 /nfs/dbraw/zinc/62/90/15/1023629015.db2.gz AWGDZHPKNVOKFZ-QGZVFWFLSA-N 1 3 333.495 4.098 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001167753036 1023629019 /nfs/dbraw/zinc/62/90/19/1023629019.db2.gz AWGDZHPKNVOKFZ-QGZVFWFLSA-N 1 3 333.495 4.098 20 0 EIADHO CC(C)COc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000549822882 1033255546 /nfs/dbraw/zinc/25/55/46/1033255546.db2.gz YEIGPIOTAMZNOK-UHFFFAOYSA-N 1 3 330.516 4.029 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466122 1025393122 /nfs/dbraw/zinc/39/31/22/1025393122.db2.gz OGPKONRAAXYPMH-UTKZUKDTSA-N 1 3 337.511 4.257 20 0 EIADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466122 1025393136 /nfs/dbraw/zinc/39/31/36/1025393136.db2.gz OGPKONRAAXYPMH-UTKZUKDTSA-N 1 3 337.511 4.257 20 0 EIADHO c1cncc([C@H]2CCC[C@@H]([NH2+]C3CCN(CC4CCCC4)CC3)C2)c1 ZINC000500449340 1025693935 /nfs/dbraw/zinc/69/39/35/1025693935.db2.gz YXMRQDFBHAFWKO-SIKLNZKXSA-N 1 3 341.543 4.352 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000582032425 1025996620 /nfs/dbraw/zinc/99/66/20/1025996620.db2.gz HPIUCIVEQPOBRU-WEYGHZABSA-N 1 3 338.495 4.051 20 0 EIADHO COc1ccc([C@H](Cc2ccccc2)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000582032425 1025996648 /nfs/dbraw/zinc/99/66/48/1025996648.db2.gz HPIUCIVEQPOBRU-WEYGHZABSA-N 1 3 338.495 4.051 20 0 EIADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(Cl)c1 ZINC001167972741 1026129549 /nfs/dbraw/zinc/12/95/49/1026129549.db2.gz ALMZMXQCJBXVNH-AYHJJNSGSA-N 1 3 336.882 4.017 20 0 EIADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(Cl)c1 ZINC001167972741 1026129556 /nfs/dbraw/zinc/12/95/56/1026129556.db2.gz ALMZMXQCJBXVNH-AYHJJNSGSA-N 1 3 336.882 4.017 20 0 EIADHO c1ccc2c(c1)OCCC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162925665 1026331958 /nfs/dbraw/zinc/33/19/58/1026331958.db2.gz BVNRWPMYEHWUAQ-OAQYLSRUSA-N 1 3 336.479 4.286 20 0 EIADHO Clc1ccc([C@@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167982175 1026388572 /nfs/dbraw/zinc/38/85/72/1026388572.db2.gz ZLDWSDAWESBIHG-HLKUOHOZSA-N 1 3 330.903 4.191 20 0 EIADHO Clc1ccc([C@@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167982175 1026388588 /nfs/dbraw/zinc/38/85/88/1026388588.db2.gz ZLDWSDAWESBIHG-HLKUOHOZSA-N 1 3 330.903 4.191 20 0 EIADHO FC(F)Oc1ccc(Cl)cc1CNCCCCC[NH+]1CCCC1 ZINC000550262284 1026442105 /nfs/dbraw/zinc/44/21/05/1026442105.db2.gz CNEGDZWETFFAFZ-UHFFFAOYSA-N 1 3 346.849 4.297 20 0 EIADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H](c4cccnc4)C4CC4)[C@@H]3C2)cc1 ZINC000507463487 1026803616 /nfs/dbraw/zinc/80/36/16/1026803616.db2.gz UCGSBTBJCOGUAY-GSPCLOLRSA-N 1 3 347.506 4.033 20 0 EIADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H](c4cccnc4)C4CC4)[C@@H]3C2)cc1 ZINC000507463487 1026803619 /nfs/dbraw/zinc/80/36/19/1026803619.db2.gz UCGSBTBJCOGUAY-GSPCLOLRSA-N 1 3 347.506 4.033 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474483089 1027119761 /nfs/dbraw/zinc/11/97/61/1027119761.db2.gz SBSIELAPTJGYQV-DLBZAZTESA-N 1 3 345.556 4.500 20 0 EIADHO C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000474483089 1027119770 /nfs/dbraw/zinc/11/97/70/1027119770.db2.gz SBSIELAPTJGYQV-DLBZAZTESA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)CN1CCCCC1 ZINC000474601238 1027276470 /nfs/dbraw/zinc/27/64/70/1027276470.db2.gz KOWDNIACFFUQOW-ZACQAIPSSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](CN[C@@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000474601238 1027276494 /nfs/dbraw/zinc/27/64/94/1027276494.db2.gz KOWDNIACFFUQOW-ZACQAIPSSA-N 1 3 345.556 4.500 20 0 EIADHO CC(C)C1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000657613111 1027287827 /nfs/dbraw/zinc/28/78/27/1027287827.db2.gz WCGAZLPBMIJMIP-UHFFFAOYSA-N 1 3 329.532 4.098 20 0 EIADHO CC(C)OC1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000090772057 1027585816 /nfs/dbraw/zinc/58/58/16/1027585816.db2.gz YHNWNNLOVFKNPK-YLJXDBKYSA-N 1 3 336.564 4.355 20 0 EIADHO CC[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnn(C)c1 ZINC000121629051 1027797639 /nfs/dbraw/zinc/79/76/39/1027797639.db2.gz PDRMSCTZGQGVBP-OAQYLSRUSA-N 1 3 340.515 4.037 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000583052208 1027903956 /nfs/dbraw/zinc/90/39/56/1027903956.db2.gz XZOKBYUPMBPEDD-WBVHZDCISA-N 1 3 342.449 4.346 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000281148785 1028401006 /nfs/dbraw/zinc/40/10/06/1028401006.db2.gz GKYZVILZKKYGNG-OAQYLSRUSA-N 1 3 341.474 4.303 20 0 EIADHO C[C@H]1C[C@H](NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000080338935 1028714197 /nfs/dbraw/zinc/71/41/97/1028714197.db2.gz IGFJWDKCVHPEHE-PGRDOPGGSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@H](NCc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000080338935 1028714213 /nfs/dbraw/zinc/71/42/13/1028714213.db2.gz IGFJWDKCVHPEHE-PGRDOPGGSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccsc2S1 ZINC000635012520 1028819178 /nfs/dbraw/zinc/81/91/78/1028819178.db2.gz VLTDHUSIBVEYLO-YVEFUNNKSA-N 1 3 330.522 4.109 20 0 EIADHO CCC[N@H+](CCCN(C)C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168056819 1029311585 /nfs/dbraw/zinc/31/15/85/1029311585.db2.gz ITDSZQIWIRWWHC-WOJBJXKFSA-N 1 3 345.575 4.092 20 0 EIADHO CCC[N@@H+](CCCN(C)C)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168056819 1029311605 /nfs/dbraw/zinc/31/16/05/1029311605.db2.gz ITDSZQIWIRWWHC-WOJBJXKFSA-N 1 3 345.575 4.092 20 0 EIADHO C[NH+]1CC2(C1)CCN(Cc1sccc1Oc1ccccc1)CC2 ZINC001142001471 1029419264 /nfs/dbraw/zinc/41/92/64/1029419264.db2.gz RJEMROHVBYPTPT-UHFFFAOYSA-N 1 3 328.481 4.068 20 0 EIADHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000475219545 1029453118 /nfs/dbraw/zinc/45/31/18/1029453118.db2.gz JQHFRWXYUAWFTH-HZPDHXFCSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000475219545 1029453123 /nfs/dbraw/zinc/45/31/23/1029453123.db2.gz JQHFRWXYUAWFTH-HZPDHXFCSA-N 1 3 345.556 4.500 20 0 EIADHO Cc1ncccc1C[N@@H+](C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168060243 1029470193 /nfs/dbraw/zinc/47/01/93/1029470193.db2.gz VZWIIVAXJCIOAN-ROUUACIJSA-N 1 3 337.511 4.263 20 0 EIADHO Cc1ncccc1C[N@H+](C)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168060243 1029470203 /nfs/dbraw/zinc/47/02/03/1029470203.db2.gz VZWIIVAXJCIOAN-ROUUACIJSA-N 1 3 337.511 4.263 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2sc(C)nc2C)cc1 ZINC000170972847 1029969008 /nfs/dbraw/zinc/96/90/08/1029969008.db2.gz UNZQUHZEPVHARJ-CQSZACIVSA-N 1 3 331.529 4.453 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1sc(C)nc1C ZINC000170972818 1029970159 /nfs/dbraw/zinc/97/01/59/1029970159.db2.gz HIBFFHSEOOMYOS-CQSZACIVSA-N 1 3 331.529 4.453 20 0 EIADHO Fc1ccc2c(c1)onc2C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000116479721 1030007020 /nfs/dbraw/zinc/00/70/20/1030007020.db2.gz NAHWGSVYXGNFDW-UHFFFAOYSA-N 1 3 345.462 4.022 20 0 EIADHO Cc1sccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390640581 1030011676 /nfs/dbraw/zinc/01/16/76/1030011676.db2.gz HAZKXHXZTYYOHF-LJQANCHMSA-N 1 3 328.525 4.447 20 0 EIADHO Cc1sccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390640581 1030011696 /nfs/dbraw/zinc/01/16/96/1030011696.db2.gz HAZKXHXZTYYOHF-LJQANCHMSA-N 1 3 328.525 4.447 20 0 EIADHO Cc1ccc(C)c([C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2)c1 ZINC000392266652 1030077821 /nfs/dbraw/zinc/07/78/21/1030077821.db2.gz OQQNUZCYDRYQMX-WMZHIEFXSA-N 1 3 334.507 4.467 20 0 EIADHO C[C@@H](NCc1cnccc1C(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926581866 1030197502 /nfs/dbraw/zinc/19/75/02/1030197502.db2.gz HBDAEIVCWUIFLF-MRXNPFEDSA-N 1 3 325.500 4.292 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685455208 1030337003 /nfs/dbraw/zinc/33/70/03/1030337003.db2.gz JCNOLGUBXHZBKJ-GJZGRUSLSA-N 1 3 328.422 4.129 20 0 EIADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708566641 1030384457 /nfs/dbraw/zinc/38/44/57/1030384457.db2.gz RHWMYNHBYYZAGA-WAOWUJCRSA-N 1 3 340.486 4.114 20 0 EIADHO COC[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000685645165 1030615964 /nfs/dbraw/zinc/61/59/64/1030615964.db2.gz KLIOHYXLUTZTLB-LPHOPBHVSA-N 1 3 338.923 4.129 20 0 EIADHO COC[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000685645165 1030615977 /nfs/dbraw/zinc/61/59/77/1030615977.db2.gz KLIOHYXLUTZTLB-LPHOPBHVSA-N 1 3 338.923 4.129 20 0 EIADHO Cc1cc(F)ccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398051032 1030692898 /nfs/dbraw/zinc/69/28/98/1030692898.db2.gz XSMZPGYZINEKAE-LAUBAEHRSA-N 1 3 326.459 4.134 20 0 EIADHO Cc1cc(F)ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398051032 1030692920 /nfs/dbraw/zinc/69/29/20/1030692920.db2.gz XSMZPGYZINEKAE-LAUBAEHRSA-N 1 3 326.459 4.134 20 0 EIADHO Cc1cc(F)ccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398051033 1030694868 /nfs/dbraw/zinc/69/48/68/1030694868.db2.gz XSMZPGYZINEKAE-UTKZUKDTSA-N 1 3 326.459 4.134 20 0 EIADHO Cc1cc(F)ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398051033 1030694874 /nfs/dbraw/zinc/69/48/74/1030694874.db2.gz XSMZPGYZINEKAE-UTKZUKDTSA-N 1 3 326.459 4.134 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133016 1030710778 /nfs/dbraw/zinc/71/07/78/1030710778.db2.gz KDLIBUYHNUNNGB-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133016 1030710801 /nfs/dbraw/zinc/71/08/01/1030710801.db2.gz KDLIBUYHNUNNGB-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C(F)F)nc1 ZINC000658041826 1030793433 /nfs/dbraw/zinc/79/34/33/1030793433.db2.gz JCVLEWJOVVTAMN-OLMNPRSZSA-N 1 3 345.437 4.015 20 0 EIADHO C[C@H](NCc1ccc2occc2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000658120391 1030840327 /nfs/dbraw/zinc/84/03/27/1030840327.db2.gz RKESBWRYWLSYHO-INIZCTEOSA-N 1 3 338.451 4.224 20 0 EIADHO CCc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000658168891 1030863729 /nfs/dbraw/zinc/86/37/29/1030863729.db2.gz ZXUOAABZDFKARH-MRXNPFEDSA-N 1 3 343.540 4.268 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H](C)c1ccccc1 ZINC000658168736 1030864043 /nfs/dbraw/zinc/86/40/43/1030864043.db2.gz YDWAEYOPHZOHAT-RTBURBONSA-N 1 3 337.511 4.075 20 0 EIADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCC2 ZINC000658255851 1030929635 /nfs/dbraw/zinc/92/96/35/1030929635.db2.gz WOSDQJHISCPTBZ-RTBURBONSA-N 1 3 334.548 4.109 20 0 EIADHO COc1cccc([C@H](C)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310858200 1030931396 /nfs/dbraw/zinc/93/13/96/1030931396.db2.gz BYMOXHZFKZYYNU-AVRDEDQJSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310858200 1030931417 /nfs/dbraw/zinc/93/14/17/1030931417.db2.gz BYMOXHZFKZYYNU-AVRDEDQJSA-N 1 3 338.495 4.258 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccnc2C)ccc1OC ZINC000527989394 1031016815 /nfs/dbraw/zinc/01/68/15/1031016815.db2.gz YZUUEHZFHIOCEA-INIZCTEOSA-N 1 3 341.499 4.091 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3ccccc32)[C@H](C)C1 ZINC000531711561 1031497341 /nfs/dbraw/zinc/49/73/41/1031497341.db2.gz GQIVYFQYNOQXFI-JRGCBEDISA-N 1 3 344.543 4.136 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC(C)(C)c3ccccc32)[C@H](C)C1 ZINC000531711561 1031497352 /nfs/dbraw/zinc/49/73/52/1031497352.db2.gz GQIVYFQYNOQXFI-JRGCBEDISA-N 1 3 344.543 4.136 20 0 EIADHO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560275 1031847146 /nfs/dbraw/zinc/84/71/46/1031847146.db2.gz IVCHIWORPNMYGF-QUTCQCCXSA-N 1 3 338.417 4.324 20 0 EIADHO COc1ccc([C@@H](CCC(C)C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000453363559 1031903929 /nfs/dbraw/zinc/90/39/29/1031903929.db2.gz RRFTVQNVIXLPME-SMLSOGCJSA-N 1 3 330.516 4.387 20 0 EIADHO COc1ccc([C@@H](CCC(C)C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000453363559 1031903943 /nfs/dbraw/zinc/90/39/43/1031903943.db2.gz RRFTVQNVIXLPME-SMLSOGCJSA-N 1 3 330.516 4.387 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCc2ccc(F)cc21 ZINC000531993449 1031961265 /nfs/dbraw/zinc/96/12/65/1031961265.db2.gz REIDHIUROASVGN-XGRCMKMKSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCc2ccc(F)cc21 ZINC000531993449 1031961272 /nfs/dbraw/zinc/96/12/72/1031961272.db2.gz REIDHIUROASVGN-XGRCMKMKSA-N 1 3 338.470 4.313 20 0 EIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CC4CCSCC4)[C@@H]3C2)cc1 ZINC000512612349 1033491587 /nfs/dbraw/zinc/49/15/87/1033491587.db2.gz OMBCFARABUWQKZ-PWRODBHTSA-N 1 3 344.568 4.020 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000501380187 1035430329 /nfs/dbraw/zinc/43/03/29/1035430329.db2.gz CUIZLRKKNOWIDT-YVGNARHYSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000501380187 1035430339 /nfs/dbraw/zinc/43/03/39/1035430339.db2.gz CUIZLRKKNOWIDT-YVGNARHYSA-N 1 3 338.417 4.183 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000501380187 1035430342 /nfs/dbraw/zinc/43/03/42/1035430342.db2.gz CUIZLRKKNOWIDT-YVGNARHYSA-N 1 3 338.417 4.183 20 0 EIADHO Cc1ccc(-c2cc(CN3CCC(CCC[NH+](C)C)CC3)on2)cc1 ZINC000501787361 1035593895 /nfs/dbraw/zinc/59/38/95/1035593895.db2.gz WKGDNWHQBLNWAD-UHFFFAOYSA-N 1 3 341.499 4.204 20 0 EIADHO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165313258 1036774369 /nfs/dbraw/zinc/77/43/69/1036774369.db2.gz PINRHQNEEJFJCZ-HKUYNNGSSA-N 1 3 334.573 4.061 20 0 EIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2cccc3[nH]ccc32)CC1 ZINC000503121265 1036920022 /nfs/dbraw/zinc/92/00/22/1036920022.db2.gz NTWFWTFDXFEFGK-HTAPYJJXSA-N 1 3 339.527 4.343 20 0 EIADHO c1cc2c(cccc2CC[NH2+]C2CCN(C3CCCCC3)CC2)[nH]1 ZINC000503117060 1036928209 /nfs/dbraw/zinc/92/82/09/1036928209.db2.gz BYGVIEUTKQWIGA-UHFFFAOYSA-N 1 3 325.500 4.097 20 0 EIADHO CN1CC=C(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000271867009 1037041204 /nfs/dbraw/zinc/04/12/04/1037041204.db2.gz LSMOULNSPCTIJP-KRWDZBQOSA-N 1 3 339.508 4.039 20 0 EIADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000569860854 1037181981 /nfs/dbraw/zinc/18/19/81/1037181981.db2.gz MSSZQMDBIDHUDI-BHIFYINESA-N 1 3 344.543 4.084 20 0 EIADHO CSC1(CN[C@@H](C)c2cc(Cl)ccc2Cl)CC[NH+](C)CC1 ZINC000573256010 1037456895 /nfs/dbraw/zinc/45/68/95/1037456895.db2.gz VKUILWVSQSRRKZ-LBPRGKRZSA-N 1 3 347.355 4.471 20 0 EIADHO Cc1ccccc1[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422711916 1037804078 /nfs/dbraw/zinc/80/40/78/1037804078.db2.gz NJWNRHFFIJSOLT-MZYLBHOOSA-N 1 3 348.490 4.292 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000422733084 1037808530 /nfs/dbraw/zinc/80/85/30/1037808530.db2.gz QNSGJKIIMZSKIE-NWDGAFQWSA-N 1 3 337.389 4.279 20 0 EIADHO c1ccc([C@@H]2C[C@H](NCc3ccc(-c4ccncc4)cc3)CC[NH2+]2)cc1 ZINC000422773191 1037831116 /nfs/dbraw/zinc/83/11/16/1037831116.db2.gz TXUVACJESDDCPT-PKTZIBPZSA-N 1 3 343.474 4.332 20 0 EIADHO COc1cccc([C@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)c1 ZINC000422776015 1037831519 /nfs/dbraw/zinc/83/15/19/1037831519.db2.gz BVQRLMXSYKEFPU-KUHUBIRLSA-N 1 3 332.875 4.155 20 0 EIADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CC[NH2+]CC[C@H]3C)cc2)cs1 ZINC000422800629 1037836069 /nfs/dbraw/zinc/83/60/69/1037836069.db2.gz CLWURUFELMMDFY-QWQRMKEZSA-N 1 3 329.513 4.157 20 0 EIADHO CCc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422832312 1037843192 /nfs/dbraw/zinc/84/31/92/1037843192.db2.gz FPDWOPFJRICSAD-OAHLLOKOSA-N 1 3 325.500 4.040 20 0 EIADHO FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000422831609 1037843208 /nfs/dbraw/zinc/84/32/08/1037843208.db2.gz WVLAQMDYYBJLML-DLBZAZTESA-N 1 3 326.406 4.073 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000422892217 1037856927 /nfs/dbraw/zinc/85/69/27/1037856927.db2.gz XVAWHNSOQUENTJ-VQSBYGRUSA-N 1 3 337.511 4.473 20 0 EIADHO CC(C)c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422874719 1037861103 /nfs/dbraw/zinc/86/11/03/1037861103.db2.gz ASPAXCHLLICOHO-RBBKRZOGSA-N 1 3 336.479 4.156 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422912838 1037865481 /nfs/dbraw/zinc/86/54/81/1037865481.db2.gz WZVLLQXQOAEWKB-AWEZNQCLSA-N 1 3 343.902 4.275 20 0 EIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423006232 1037899052 /nfs/dbraw/zinc/89/90/52/1037899052.db2.gz USEAIOWJEKYFRU-QCFAMHMHSA-N 1 3 330.516 4.055 20 0 EIADHO C[C@@H]1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000423004707 1037899513 /nfs/dbraw/zinc/89/95/13/1037899513.db2.gz PUOPICHTKZLICW-BWWDHELJSA-N 1 3 348.490 4.471 20 0 EIADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423041197 1037921909 /nfs/dbraw/zinc/92/19/09/1037921909.db2.gz WJSURXSWENLTEE-LRXVAGHRSA-N 1 3 336.479 4.210 20 0 EIADHO C[C@@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423082216 1037945505 /nfs/dbraw/zinc/94/55/05/1037945505.db2.gz WPUQIYRVBOMEOS-LXGCGDOSSA-N 1 3 342.870 4.247 20 0 EIADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423097294 1037952320 /nfs/dbraw/zinc/95/23/20/1037952320.db2.gz QRVGNSBVGNVHQQ-DZUCGIPZSA-N 1 3 326.406 4.201 20 0 EIADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423097295 1037954857 /nfs/dbraw/zinc/95/48/57/1037954857.db2.gz QRVGNSBVGNVHQQ-HJWJTTGWSA-N 1 3 326.406 4.201 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000423126399 1037967639 /nfs/dbraw/zinc/96/76/39/1037967639.db2.gz ISIBCJAIYCFURJ-IAQYHMDHSA-N 1 3 335.904 4.292 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423152421 1038001425 /nfs/dbraw/zinc/00/14/25/1038001425.db2.gz DZJKQPQIASUSLD-HXPMCKFVSA-N 1 3 347.865 4.443 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000503950147 1038041496 /nfs/dbraw/zinc/04/14/96/1038041496.db2.gz BIMNTVCRROYLHN-NRSFXHEJSA-N 1 3 344.490 4.170 20 0 EIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423217807 1038060462 /nfs/dbraw/zinc/06/04/62/1038060462.db2.gz QMHYFKGHOJJRQT-NOLJZWGESA-N 1 3 330.394 4.014 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cc(Br)cs2)cc1 ZINC000423293462 1038098345 /nfs/dbraw/zinc/09/83/45/1038098345.db2.gz RKBDMDIJOQPFMN-MNOVXSKESA-N 1 3 339.302 4.381 20 0 EIADHO COc1cc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1SC ZINC000423295903 1038121315 /nfs/dbraw/zinc/12/13/15/1038121315.db2.gz XSQAJXOUXNRECJ-ZIAGYGMSSA-N 1 3 330.497 4.288 20 0 EIADHO COc1ccc2oc([C@H](C)NCc3ccc4c(c3)C[NH2+]C4)c(C)c2c1 ZINC000423375001 1038206227 /nfs/dbraw/zinc/20/62/27/1038206227.db2.gz INYNVHNHEJLWQB-AWEZNQCLSA-N 1 3 336.435 4.204 20 0 EIADHO C[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccccc1Br ZINC000423461581 1038241249 /nfs/dbraw/zinc/24/12/49/1038241249.db2.gz SYDZGXLSRIDLPS-KBXCAEBGSA-N 1 3 347.300 4.256 20 0 EIADHO COC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423499397 1038254308 /nfs/dbraw/zinc/25/43/08/1038254308.db2.gz AVHGZUQEQWDIAM-OALUTQOASA-N 1 3 332.875 4.097 20 0 EIADHO NC1(C[NH2+]C2CCC(OC3CCCC3)CC2)C2CC3CC(C2)CC1C3 ZINC000423521546 1038274094 /nfs/dbraw/zinc/27/40/94/1038274094.db2.gz GFEAMELZYUBMSC-UHFFFAOYSA-N 1 3 346.559 4.000 20 0 EIADHO Cc1c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1C(C)(C)C ZINC000423521104 1038275017 /nfs/dbraw/zinc/27/50/17/1038275017.db2.gz SDWFVKKERHJLCC-BEFAXECRSA-N 1 3 328.504 4.077 20 0 EIADHO C[C@H](N[C@H]1CSCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924850104 1038325985 /nfs/dbraw/zinc/32/59/85/1038325985.db2.gz QURGSSKUBFBGLA-YWZLYKJASA-N 1 3 326.509 4.387 20 0 EIADHO CC(C)(C[NH2+][C@H](Cc1ccncc1)c1cccs1)CN1CCCC1 ZINC000424280940 1038790437 /nfs/dbraw/zinc/79/04/37/1038790437.db2.gz MPLVFPGAFVMOKG-GOSISDBHSA-N 1 3 343.540 4.139 20 0 EIADHO CCCCCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480769819 1038799089 /nfs/dbraw/zinc/79/90/89/1038799089.db2.gz MQSLKWJNMVCVTM-ZWKOTPCHSA-N 1 3 330.516 4.391 20 0 EIADHO CCCCCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480769819 1038799115 /nfs/dbraw/zinc/79/91/15/1038799115.db2.gz MQSLKWJNMVCVTM-ZWKOTPCHSA-N 1 3 330.516 4.391 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000539072157 1038822116 /nfs/dbraw/zinc/82/21/16/1038822116.db2.gz VEDDCVFJGJBYBI-ZNMIVQPWSA-N 1 3 342.886 4.019 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2cccc(Br)c2)C1 ZINC000481024775 1038963487 /nfs/dbraw/zinc/96/34/87/1038963487.db2.gz NJPQJONRZQKKHC-RHSMWYFYSA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2cccc(Br)c2)C1 ZINC000481024775 1038963524 /nfs/dbraw/zinc/96/35/24/1038963524.db2.gz NJPQJONRZQKKHC-RHSMWYFYSA-N 1 3 339.321 4.222 20 0 EIADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000539394932 1039030821 /nfs/dbraw/zinc/03/08/21/1039030821.db2.gz AISZRCPHIFQRIW-BHIYHBOVSA-N 1 3 328.500 4.143 20 0 EIADHO CCCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OCC ZINC000414811586 1039065962 /nfs/dbraw/zinc/06/59/62/1039065962.db2.gz PTUPVOJKSHFSNZ-INIZCTEOSA-N 1 3 342.483 4.184 20 0 EIADHO CC(C)CCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815109 1039090648 /nfs/dbraw/zinc/09/06/48/1039090648.db2.gz WUSFANUZBVVUIT-KRWDZBQOSA-N 1 3 326.484 4.421 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099422 1039157838 /nfs/dbraw/zinc/15/78/38/1039157838.db2.gz IEMODLIUSFRSPC-WWMYMODYSA-N 1 3 348.494 4.267 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000552099422 1039157854 /nfs/dbraw/zinc/15/78/54/1039157854.db2.gz IEMODLIUSFRSPC-WWMYMODYSA-N 1 3 348.494 4.267 20 0 EIADHO COc1ccc2cc(C[NH2+]CCCN3CCC(C)CC3)ccc2c1 ZINC000061558279 1039223574 /nfs/dbraw/zinc/22/35/74/1039223574.db2.gz VDEVTHRGSNWNJU-UHFFFAOYSA-N 1 3 326.484 4.060 20 0 EIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414838492 1039283906 /nfs/dbraw/zinc/28/39/06/1039283906.db2.gz WXEAYVXAWKNOMX-JZWPEALZSA-N 1 3 327.299 4.187 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000481322925 1039288294 /nfs/dbraw/zinc/28/82/94/1039288294.db2.gz NYEMHFXCEYJGSL-MELADBBJSA-N 1 3 345.314 4.081 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@H]2CCc3cc(F)ccc32)CC1 ZINC000481329456 1039304406 /nfs/dbraw/zinc/30/44/06/1039304406.db2.gz ZMGAFCTVIQOHLE-QFIPXVFZSA-N 1 3 338.470 4.376 20 0 EIADHO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000481339689 1039320016 /nfs/dbraw/zinc/32/00/16/1039320016.db2.gz QZXOQCIGDRZKGU-HOCLYGCPSA-N 1 3 326.937 4.142 20 0 EIADHO C[N@@H+]1CCC[C@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000555598341 1039424781 /nfs/dbraw/zinc/42/47/81/1039424781.db2.gz XTCHPSXKTQDHJU-SFHVURJKSA-N 1 3 338.948 4.240 20 0 EIADHO C[N@H+]1CCC[C@]2(CCN(CCCSc3ccccc3Cl)C2)C1 ZINC000555598341 1039424819 /nfs/dbraw/zinc/42/48/19/1039424819.db2.gz XTCHPSXKTQDHJU-SFHVURJKSA-N 1 3 338.948 4.240 20 0 EIADHO CCOCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000514103472 1039610533 /nfs/dbraw/zinc/61/05/33/1039610533.db2.gz CIONWXYZOWWFHF-FDFHNCONSA-N 1 3 344.543 4.084 20 0 EIADHO Clc1sc(Cl)c2c1CCC[C@@H]2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536949 1039745432 /nfs/dbraw/zinc/74/54/32/1039745432.db2.gz XLZAWOZYFUOROT-WDEREUQCSA-N 1 3 331.312 4.164 20 0 EIADHO CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(C)cc1 ZINC000481732054 1039793557 /nfs/dbraw/zinc/79/35/57/1039793557.db2.gz WSRQUERHCZPNNP-FQEVSTJZSA-N 1 3 326.484 4.176 20 0 EIADHO Fc1ccc([C@@H](NCCCCC[NH+]2CCCC2)c2cccnc2)cc1 ZINC000550882955 1039809315 /nfs/dbraw/zinc/80/93/15/1039809315.db2.gz UDVPIZLAZNWBJJ-OAQYLSRUSA-N 1 3 341.474 4.166 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000481748629 1039810671 /nfs/dbraw/zinc/81/06/71/1039810671.db2.gz UXKQXCFMHODOHJ-HXUWFJFHSA-N 1 3 338.495 4.139 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CC(C)(C)c2ccccc21 ZINC000481748626 1039811041 /nfs/dbraw/zinc/81/10/41/1039811041.db2.gz UXKQXCFMHODOHJ-FQEVSTJZSA-N 1 3 338.495 4.139 20 0 EIADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000481956885 1039912058 /nfs/dbraw/zinc/91/20/58/1039912058.db2.gz DZPZXAXJNDIZSH-MSOLQXFVSA-N 1 3 326.484 4.256 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000535083288 1039924519 /nfs/dbraw/zinc/92/45/19/1039924519.db2.gz STZUBFOVMWQWPB-UHFFFAOYSA-N 1 3 343.540 4.362 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000535083288 1039924548 /nfs/dbraw/zinc/92/45/48/1039924548.db2.gz STZUBFOVMWQWPB-UHFFFAOYSA-N 1 3 343.540 4.362 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(F)c1 ZINC000482442768 1040250442 /nfs/dbraw/zinc/25/04/42/1040250442.db2.gz XCIACAPNNAVCIN-PKOBYXMFSA-N 1 3 326.459 4.041 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000479406160 1040328716 /nfs/dbraw/zinc/32/87/16/1040328716.db2.gz BGQAZRGKSTTYII-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995701 1040392340 /nfs/dbraw/zinc/39/23/40/1040392340.db2.gz WWJXPZNWKYHUTC-STQMWFEESA-N 1 3 327.299 4.189 20 0 EIADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995701 1040392352 /nfs/dbraw/zinc/39/23/52/1040392352.db2.gz WWJXPZNWKYHUTC-STQMWFEESA-N 1 3 327.299 4.189 20 0 EIADHO CC(C)[C@H](CSc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000479522501 1040421370 /nfs/dbraw/zinc/42/13/70/1040421370.db2.gz BLVLYOICUAAIJZ-QLOJAFMTSA-N 1 3 332.557 4.410 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000668172369 1040604896 /nfs/dbraw/zinc/60/48/96/1040604896.db2.gz MCQRXBFJLKWDCD-OALUTQOASA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000668172369 1040604903 /nfs/dbraw/zinc/60/49/03/1040604903.db2.gz MCQRXBFJLKWDCD-OALUTQOASA-N 1 3 341.524 4.035 20 0 EIADHO C[N@H+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539834037 1040828468 /nfs/dbraw/zinc/82/84/68/1040828468.db2.gz WFTRWPXVSWSNQU-DPVXCJKMSA-N 1 3 338.470 4.293 20 0 EIADHO C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539834037 1040828473 /nfs/dbraw/zinc/82/84/73/1040828473.db2.gz WFTRWPXVSWSNQU-DPVXCJKMSA-N 1 3 338.470 4.293 20 0 EIADHO C[N@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539834040 1040828514 /nfs/dbraw/zinc/82/85/14/1040828514.db2.gz WFTRWPXVSWSNQU-WKOQKXSESA-N 1 3 338.470 4.293 20 0 EIADHO C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539834040 1040828517 /nfs/dbraw/zinc/82/85/17/1040828517.db2.gz WFTRWPXVSWSNQU-WKOQKXSESA-N 1 3 338.470 4.293 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725996 1040977916 /nfs/dbraw/zinc/97/79/16/1040977916.db2.gz IZQQMJQWVLASAP-VNHYZAJKSA-N 1 3 346.462 4.474 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725996 1040977934 /nfs/dbraw/zinc/97/79/34/1040977934.db2.gz IZQQMJQWVLASAP-VNHYZAJKSA-N 1 3 346.462 4.474 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740220 1040989300 /nfs/dbraw/zinc/98/93/00/1040989300.db2.gz HWPIKSPXGYGELJ-GHTZIAJQSA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740220 1040989326 /nfs/dbraw/zinc/98/93/26/1040989326.db2.gz HWPIKSPXGYGELJ-GHTZIAJQSA-N 1 3 326.459 4.389 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(-c3cccc(F)c3F)o1)C2 ZINC000515710217 1040997025 /nfs/dbraw/zinc/99/70/25/1040997025.db2.gz AMNNEGXQLCWKCJ-YIONKMFJSA-N 1 3 346.421 4.282 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(-c3cccc(F)c3F)o1)C2 ZINC000515710217 1040997058 /nfs/dbraw/zinc/99/70/58/1040997058.db2.gz AMNNEGXQLCWKCJ-YIONKMFJSA-N 1 3 346.421 4.282 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000480171212 1041029536 /nfs/dbraw/zinc/02/95/36/1041029536.db2.gz JVXZZNFAJOIGNY-HNNXBMFYSA-N 1 3 344.421 4.154 20 0 EIADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000554374165 1041058961 /nfs/dbraw/zinc/05/89/61/1041058961.db2.gz PKOFMVVZQXZXPM-YMQHIKHWSA-N 1 3 330.491 4.157 20 0 EIADHO FC1(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000554374977 1041062197 /nfs/dbraw/zinc/06/21/97/1041062197.db2.gz DFGODXVOKUAYDI-HSALFYBXSA-N 1 3 330.491 4.159 20 0 EIADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000480244551 1041100598 /nfs/dbraw/zinc/10/05/98/1041100598.db2.gz VMXBQDHDJWRSKK-KSFYIVLOSA-N 1 3 338.470 4.445 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000484280789 1041185223 /nfs/dbraw/zinc/18/52/23/1041185223.db2.gz TXDAZEMWWUPJOA-JSGCOSHPSA-N 1 3 333.303 4.001 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc2ccccc21 ZINC000540169038 1041211994 /nfs/dbraw/zinc/21/19/94/1041211994.db2.gz JJQUMKAGIHPQNS-CEXWTWQISA-N 1 3 340.511 4.380 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000540172618 1041216981 /nfs/dbraw/zinc/21/69/81/1041216981.db2.gz PNJHRZVJFBXPCX-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000540172618 1041217001 /nfs/dbraw/zinc/21/70/01/1041217001.db2.gz PNJHRZVJFBXPCX-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301595 1041353154 /nfs/dbraw/zinc/35/31/54/1041353154.db2.gz LQUYJOUCDUESDK-YVEFUNNKSA-N 1 3 327.299 4.376 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301595 1041353165 /nfs/dbraw/zinc/35/31/65/1041353165.db2.gz LQUYJOUCDUESDK-YVEFUNNKSA-N 1 3 327.299 4.376 20 0 EIADHO CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCO1 ZINC000538579550 1041430916 /nfs/dbraw/zinc/43/09/16/1041430916.db2.gz XACSQFSAXHDBFI-OYNPSCLESA-N 1 3 336.564 4.213 20 0 EIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2(Cc3ccccc3)CC2)CC1 ZINC000480689172 1041473356 /nfs/dbraw/zinc/47/33/56/1041473356.db2.gz MBMGMIIJJJBMKF-GHTZIAJQSA-N 1 3 326.528 4.394 20 0 EIADHO Oc1cccc2sc(C[NH2+]C3CCN(C4CCCC4)CC3)cc21 ZINC000894324840 1041584835 /nfs/dbraw/zinc/58/48/35/1041584835.db2.gz CIRILXCTVOPRNL-UHFFFAOYSA-N 1 3 330.497 4.104 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000544490478 1041885359 /nfs/dbraw/zinc/88/53/59/1041885359.db2.gz LFUKPUMQCMCRGI-YOEHRIQHSA-N 1 3 329.513 4.253 20 0 EIADHO C[C@H]([NH2+]CCCCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000437784858 1041907829 /nfs/dbraw/zinc/90/78/29/1041907829.db2.gz KZZOXKLAYQHDDO-PMACEKPBSA-N 1 3 344.543 4.478 20 0 EIADHO COc1ccc2oc([C@H](C)[NH2+]CC[C@@H]3CCCCN3C)c(C)c2c1 ZINC000541653725 1042058691 /nfs/dbraw/zinc/05/86/91/1042058691.db2.gz PFBJTIKVSWWYTE-HOTGVXAUSA-N 1 3 330.472 4.275 20 0 EIADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000541908758 1042165952 /nfs/dbraw/zinc/16/59/52/1042165952.db2.gz MCRNNYSBYDUBEI-CQSZACIVSA-N 1 3 334.916 4.452 20 0 EIADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000541908758 1042165955 /nfs/dbraw/zinc/16/59/55/1042165955.db2.gz MCRNNYSBYDUBEI-CQSZACIVSA-N 1 3 334.916 4.452 20 0 EIADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309710696 1042819514 /nfs/dbraw/zinc/81/95/14/1042819514.db2.gz JESXOHUZMZRMCF-AEFFLSMTSA-N 1 3 328.525 4.483 20 0 EIADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309710696 1042819516 /nfs/dbraw/zinc/81/95/16/1042819516.db2.gz JESXOHUZMZRMCF-AEFFLSMTSA-N 1 3 328.525 4.483 20 0 EIADHO Cc1cc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842012 1042846805 /nfs/dbraw/zinc/84/68/05/1042846805.db2.gz NWLHYLIDLQUMBO-WIYYLYMNSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842012 1042846806 /nfs/dbraw/zinc/84/68/06/1042846806.db2.gz NWLHYLIDLQUMBO-WIYYLYMNSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(C)c1O ZINC000310842012 1042846809 /nfs/dbraw/zinc/84/68/09/1042846809.db2.gz NWLHYLIDLQUMBO-WIYYLYMNSA-N 1 3 338.495 4.009 20 0 EIADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000311007389 1042850391 /nfs/dbraw/zinc/85/03/91/1042850391.db2.gz WOYAWOMPCPZDHJ-ZGXWSNOMSA-N 1 3 348.481 4.312 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000178131765 1042859604 /nfs/dbraw/zinc/85/96/04/1042859604.db2.gz ITZUSZOSQJJGBX-INIZCTEOSA-N 1 3 332.513 4.320 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2cc(C)c(O)c(C)c2)cc1 ZINC000391746523 1043020328 /nfs/dbraw/zinc/02/03/28/1043020328.db2.gz VSPSBQPWHXVZQV-UHFFFAOYSA-N 1 3 326.484 4.141 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000494984390 1043095448 /nfs/dbraw/zinc/09/54/48/1043095448.db2.gz FBWBHPOMYBSUJG-INIZCTEOSA-N 1 3 347.572 4.497 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000494984390 1043095460 /nfs/dbraw/zinc/09/54/60/1043095460.db2.gz FBWBHPOMYBSUJG-INIZCTEOSA-N 1 3 347.572 4.497 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336425 1043125584 /nfs/dbraw/zinc/12/55/84/1043125584.db2.gz BJYGGLMQZQMTDZ-MJGOQNOKSA-N 1 3 326.459 4.389 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000310336425 1043125588 /nfs/dbraw/zinc/12/55/88/1043125588.db2.gz BJYGGLMQZQMTDZ-MJGOQNOKSA-N 1 3 326.459 4.389 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000185201681 1043165305 /nfs/dbraw/zinc/16/53/05/1043165305.db2.gz CDGMAICIAUYSJM-MRXNPFEDSA-N 1 3 330.516 4.389 20 0 EIADHO CCOc1cccc2cc([C@H](C)[NH2+]CC[C@H]3CCCCN3C)oc21 ZINC000543518910 1043236314 /nfs/dbraw/zinc/23/63/14/1043236314.db2.gz SSAQEGDKPNAMNN-DOTOQJQBSA-N 1 3 330.472 4.357 20 0 EIADHO CCOc1cccc2cc([C@@H](C)[NH2+]CC[C@H]3CCCCN3C)oc21 ZINC000543518911 1043237132 /nfs/dbraw/zinc/23/71/32/1043237132.db2.gz SSAQEGDKPNAMNN-NVXWUHKLSA-N 1 3 330.472 4.357 20 0 EIADHO C[C@H]([NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC001168011832 1043353194 /nfs/dbraw/zinc/35/31/94/1043353194.db2.gz SWLIBAJODVIKML-BZSNNMDCSA-N 1 3 338.495 4.484 20 0 EIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc3[nH]ccc3c2)CC1 ZINC000442811725 1043853089 /nfs/dbraw/zinc/85/30/89/1043853089.db2.gz PHIGMUBRCVUVIN-HTAPYJJXSA-N 1 3 339.527 4.343 20 0 EIADHO CCC(CC)(C[NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(F)cc1 ZINC000665301029 1043915108 /nfs/dbraw/zinc/91/51/08/1043915108.db2.gz MRUPSAGLOMFMOL-OAHLLOKOSA-N 1 3 343.490 4.396 20 0 EIADHO Cc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cs1 ZINC000658164598 1043933701 /nfs/dbraw/zinc/93/37/01/1043933701.db2.gz NYFZWSNHAJTQDX-INIZCTEOSA-N 1 3 329.513 4.014 20 0 EIADHO Cc1cc(F)cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001143590547 1044315233 /nfs/dbraw/zinc/31/52/33/1044315233.db2.gz YLYFNTXADQRBBC-IBGZPJMESA-N 1 3 326.459 4.088 20 0 EIADHO Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001143590547 1044315250 /nfs/dbraw/zinc/31/52/50/1044315250.db2.gz YLYFNTXADQRBBC-IBGZPJMESA-N 1 3 326.459 4.088 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCC(F)(F)CC1 ZINC000474079414 1044357995 /nfs/dbraw/zinc/35/79/95/1044357995.db2.gz IXISZHDEECMEMO-YQQAZPJKSA-N 1 3 328.491 4.443 20 0 EIADHO CC1CCN(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494880276 1044463035 /nfs/dbraw/zinc/46/30/35/1044463035.db2.gz RXSSHALTDWKEBC-RXVVDRJESA-N 1 3 348.506 4.005 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000675812758 1044512763 /nfs/dbraw/zinc/51/27/63/1044512763.db2.gz XZWOCBJGCSFOIL-NRFANRHFSA-N 1 3 329.532 4.413 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000326084807 1045562136 /nfs/dbraw/zinc/56/21/36/1045562136.db2.gz PSZJVMWLSAOVJQ-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2ccc(F)cc2)[C@H](C)C1 ZINC000246825167 1045833485 /nfs/dbraw/zinc/83/34/85/1045833485.db2.gz ADSMFFUVCAJAEV-AHRSYUTCSA-N 1 3 336.495 4.003 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2ccc(F)cc2)[C@H](C)C1 ZINC000246825167 1045833489 /nfs/dbraw/zinc/83/34/89/1045833489.db2.gz ADSMFFUVCAJAEV-AHRSYUTCSA-N 1 3 336.495 4.003 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(Br)c1 ZINC000037786205 1046159355 /nfs/dbraw/zinc/15/93/55/1046159355.db2.gz JMJGWQWFAMPNKM-ZDUSSCGKSA-N 1 3 339.321 4.363 20 0 EIADHO C[C@@H]([NH2+]CCc1cc2ccccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508701210 1046333522 /nfs/dbraw/zinc/33/35/22/1046333522.db2.gz SHLPOKPKYKPLSH-NQIIRXRSSA-N 1 3 348.490 4.476 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000125857726 1046357002 /nfs/dbraw/zinc/35/70/02/1046357002.db2.gz JGIVLSNKGKSIEI-IKGGRYGDSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000125857726 1046357018 /nfs/dbraw/zinc/35/70/18/1046357018.db2.gz JGIVLSNKGKSIEI-IKGGRYGDSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000125857726 1046357026 /nfs/dbraw/zinc/35/70/26/1046357026.db2.gz JGIVLSNKGKSIEI-IKGGRYGDSA-N 1 3 345.556 4.498 20 0 EIADHO COc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508722034 1046422968 /nfs/dbraw/zinc/42/29/68/1046422968.db2.gz QUTGCHMSSXOLLZ-NQIIRXRSSA-N 1 3 338.495 4.004 20 0 EIADHO C[NH+]1C(C)(C)CC(Nc2ccc(F)c(CN3CCCC3)c2)CC1(C)C ZINC001170453873 1046553633 /nfs/dbraw/zinc/55/36/33/1046553633.db2.gz OFEBBTMRZVXKOB-UHFFFAOYSA-N 1 3 347.522 4.485 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@@H]1C ZINC000536659336 1046608397 /nfs/dbraw/zinc/60/83/97/1046608397.db2.gz WUPZOLPGGRKQMT-WMZOPIPTSA-N 1 3 326.484 4.153 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@@H]1C ZINC000536659336 1046608411 /nfs/dbraw/zinc/60/84/11/1046608411.db2.gz WUPZOLPGGRKQMT-WMZOPIPTSA-N 1 3 326.484 4.153 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@@H]1C ZINC000536659334 1046608612 /nfs/dbraw/zinc/60/86/12/1046608612.db2.gz WUPZOLPGGRKQMT-FUHWJXTLSA-N 1 3 326.484 4.153 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c3ccccc23)C[C@@H]1C ZINC000536659334 1046608631 /nfs/dbraw/zinc/60/86/31/1046608631.db2.gz WUPZOLPGGRKQMT-FUHWJXTLSA-N 1 3 326.484 4.153 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)s2)C[C@@H]1C ZINC000536662004 1046634066 /nfs/dbraw/zinc/63/40/66/1046634066.db2.gz JXYWTJNXUBXDQY-STQMWFEESA-N 1 3 345.350 4.124 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)s2)C[C@@H]1C ZINC000536662004 1046634075 /nfs/dbraw/zinc/63/40/75/1046634075.db2.gz JXYWTJNXUBXDQY-STQMWFEESA-N 1 3 345.350 4.124 20 0 EIADHO CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000536673519 1046658920 /nfs/dbraw/zinc/65/89/20/1046658920.db2.gz YJVXHBHEQGHSPB-NRFANRHFSA-N 1 3 338.495 4.039 20 0 EIADHO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000536673519 1046658934 /nfs/dbraw/zinc/65/89/34/1046658934.db2.gz YJVXHBHEQGHSPB-NRFANRHFSA-N 1 3 338.495 4.039 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccccc2N(C)C)c1 ZINC000536702371 1046701083 /nfs/dbraw/zinc/70/10/83/1046701083.db2.gz CTQYKERDWADJDL-GOSISDBHSA-N 1 3 339.527 4.445 20 0 EIADHO C[C@@H]1C[C@H](NCCSc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379633878 1046731580 /nfs/dbraw/zinc/73/15/80/1046731580.db2.gz URYGALTTXQCGGD-UYAOXDASSA-N 1 3 340.536 4.421 20 0 EIADHO C[C@@H]1C[C@H](NCCSc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379633878 1046731593 /nfs/dbraw/zinc/73/15/93/1046731593.db2.gz URYGALTTXQCGGD-UYAOXDASSA-N 1 3 340.536 4.421 20 0 EIADHO C[C@@H]1C[C@@H](NCCSc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379633875 1046731958 /nfs/dbraw/zinc/73/19/58/1046731958.db2.gz URYGALTTXQCGGD-QUCCMNQESA-N 1 3 340.536 4.421 20 0 EIADHO C[C@@H]1C[C@@H](NCCSc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379633875 1046731975 /nfs/dbraw/zinc/73/19/75/1046731975.db2.gz URYGALTTXQCGGD-QUCCMNQESA-N 1 3 340.536 4.421 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379641551 1046745047 /nfs/dbraw/zinc/74/50/47/1046745047.db2.gz YKEBXQKZHBLVLA-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379641551 1046745061 /nfs/dbraw/zinc/74/50/61/1046745061.db2.gz YKEBXQKZHBLVLA-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](O)c1ccccc1 ZINC000788622278 1047252171 /nfs/dbraw/zinc/25/21/71/1047252171.db2.gz QPYNIWDAVGRGJV-FGZHOGPDSA-N 1 3 344.543 4.131 20 0 EIADHO CC(C)[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](O)c1ccccc1 ZINC000788622278 1047252185 /nfs/dbraw/zinc/25/21/85/1047252185.db2.gz QPYNIWDAVGRGJV-FGZHOGPDSA-N 1 3 344.543 4.131 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000763435100 1047804948 /nfs/dbraw/zinc/80/49/48/1047804948.db2.gz YZZGPKOSEOTUKB-GDBMZVCRSA-N 1 3 333.347 4.157 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000763435100 1047804950 /nfs/dbraw/zinc/80/49/50/1047804950.db2.gz YZZGPKOSEOTUKB-GDBMZVCRSA-N 1 3 333.347 4.157 20 0 EIADHO CC[NH+]1CCC(CN[C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000556873826 1048094286 /nfs/dbraw/zinc/09/42/86/1048094286.db2.gz MAZOVGFLVKXCQG-OAHLLOKOSA-N 1 3 329.513 4.193 20 0 EIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170755458 1048108812 /nfs/dbraw/zinc/10/88/12/1048108812.db2.gz BSVCCCSJIMCBAZ-WKCHPHFGSA-N 1 3 326.528 4.408 20 0 EIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170755458 1048108818 /nfs/dbraw/zinc/10/88/18/1048108818.db2.gz BSVCCCSJIMCBAZ-WKCHPHFGSA-N 1 3 326.528 4.408 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@@H]3CC3(Cl)Cl)C2)s1 ZINC000844327405 1048285381 /nfs/dbraw/zinc/28/53/81/1048285381.db2.gz CIFRSXNLMBQUAK-KBPBESRZSA-N 1 3 347.355 4.004 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@@H]3CC3(Cl)Cl)C2)s1 ZINC000844327405 1048285401 /nfs/dbraw/zinc/28/54/01/1048285401.db2.gz CIFRSXNLMBQUAK-KBPBESRZSA-N 1 3 347.355 4.004 20 0 EIADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1F ZINC000499159619 1048368950 /nfs/dbraw/zinc/36/89/50/1048368950.db2.gz VTWZZCFEDRGFNC-MZADTFQBSA-N 1 3 338.470 4.419 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000815575486 1048536176 /nfs/dbraw/zinc/53/61/76/1048536176.db2.gz SRZIXWDAOWFUDA-QUCCMNQESA-N 1 3 340.486 4.349 20 0 EIADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000815575484 1048537265 /nfs/dbraw/zinc/53/72/65/1048537265.db2.gz SRZIXWDAOWFUDA-AZUAARDMSA-N 1 3 340.486 4.349 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000815622220 1048548832 /nfs/dbraw/zinc/54/88/32/1048548832.db2.gz PRERQPXJGDLASI-IEBWSBKVSA-N 1 3 326.459 4.307 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815622220 1048548841 /nfs/dbraw/zinc/54/88/41/1048548841.db2.gz PRERQPXJGDLASI-IEBWSBKVSA-N 1 3 326.459 4.307 20 0 EIADHO CCN(Cc1cc(Cl)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001144690374 1048793138 /nfs/dbraw/zinc/79/31/38/1048793138.db2.gz LYWYGKNJGNYUNH-UHFFFAOYSA-N 1 3 345.712 4.019 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000237344801 1048928948 /nfs/dbraw/zinc/92/89/48/1048928948.db2.gz WPLBOJYJHBQVJJ-VQTJNVASSA-N 1 3 338.495 4.325 20 0 EIADHO CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccc(CC[NH3+])cc1 ZINC000817947372 1049063168 /nfs/dbraw/zinc/06/31/68/1049063168.db2.gz CZEZBJIWDHZNOC-NRFANRHFSA-N 1 3 338.495 4.315 20 0 EIADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cc2cc(Cl)ccc2o1 ZINC000817947985 1049063223 /nfs/dbraw/zinc/06/32/23/1049063223.db2.gz HUFDBXMFLTXHKM-ZDUSSCGKSA-N 1 3 328.843 4.438 20 0 EIADHO CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000817961131 1049068928 /nfs/dbraw/zinc/06/89/28/1049068928.db2.gz UTADKXXEELJCAZ-DWOCFRCJSA-N 1 3 344.543 4.047 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001170657876 1049343017 /nfs/dbraw/zinc/34/30/17/1049343017.db2.gz HICFQHHXLDIOAL-GHTZIAJQSA-N 1 3 344.449 4.105 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)CC1(C)C ZINC001170671252 1049386695 /nfs/dbraw/zinc/38/66/95/1049386695.db2.gz XSGXDYXQJNPWIV-HNNXBMFYSA-N 1 3 336.470 4.063 20 0 EIADHO Clc1ccccc1C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000820807864 1049555073 /nfs/dbraw/zinc/55/50/73/1049555073.db2.gz SLJHQHGLYBTXAI-FOIQADDNSA-N 1 3 344.886 4.291 20 0 EIADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CC2 ZINC001170967774 1049651025 /nfs/dbraw/zinc/65/10/25/1049651025.db2.gz ASFFCDTUROLHJU-HXUWFJFHSA-N 1 3 344.518 4.317 20 0 EIADHO Fc1cccc2c1C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC001170967774 1049651035 /nfs/dbraw/zinc/65/10/35/1049651035.db2.gz ASFFCDTUROLHJU-HXUWFJFHSA-N 1 3 344.518 4.317 20 0 EIADHO CC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716715758 1049704777 /nfs/dbraw/zinc/70/47/77/1049704777.db2.gz DNQATEGATDXOIW-BZSNNMDCSA-N 1 3 336.470 4.311 20 0 EIADHO Fc1cc2c(cc1F)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001171466521 1049724570 /nfs/dbraw/zinc/72/45/70/1049724570.db2.gz LXUJBZORBJRWRM-SFHVURJKSA-N 1 3 348.481 4.209 20 0 EIADHO Fc1cc2c(cc1F)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001171466520 1049724970 /nfs/dbraw/zinc/72/49/70/1049724970.db2.gz LXUJBZORBJRWRM-GOSISDBHSA-N 1 3 348.481 4.209 20 0 EIADHO Cc1cccc2c1CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001171559563 1049755254 /nfs/dbraw/zinc/75/52/54/1049755254.db2.gz IKUHLHKDQPUXOV-FQEVSTJZSA-N 1 3 326.528 4.239 20 0 EIADHO COc1ccc(CC2([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCC2)cc1 ZINC001171630273 1049762194 /nfs/dbraw/zinc/76/21/94/1049762194.db2.gz KNEFBQRVQHAZFM-UHFFFAOYSA-N 1 3 344.543 4.401 20 0 EIADHO COc1cccc(CC2([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC2)c1 ZINC001171630470 1049762429 /nfs/dbraw/zinc/76/24/29/1049762429.db2.gz OOGZXXOBGHJBGJ-UHFFFAOYSA-N 1 3 330.516 4.011 20 0 EIADHO COc1cccc(CC2(NC3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)c1 ZINC001171630470 1049762436 /nfs/dbraw/zinc/76/24/36/1049762436.db2.gz OOGZXXOBGHJBGJ-UHFFFAOYSA-N 1 3 330.516 4.011 20 0 EIADHO C[C@H](c1ccccc1)N1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171639228 1049778268 /nfs/dbraw/zinc/77/82/68/1049778268.db2.gz AEHFPOUTWHWTAK-GOSISDBHSA-N 1 3 343.559 4.017 20 0 EIADHO CC(C)c1noc([C@@H]2CCC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171639728 1049779771 /nfs/dbraw/zinc/77/97/71/1049779771.db2.gz QWVHYFXUQGELIU-OAHLLOKOSA-N 1 3 348.535 4.024 20 0 EIADHO CC(C)c1noc([C@@H]2CCC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171639728 1049779774 /nfs/dbraw/zinc/77/97/74/1049779774.db2.gz QWVHYFXUQGELIU-OAHLLOKOSA-N 1 3 348.535 4.024 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005854 1049819689 /nfs/dbraw/zinc/81/96/89/1049819689.db2.gz RMTJOBAMWPCHOP-GBESFXJTSA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001171005854 1049819694 /nfs/dbraw/zinc/81/96/94/1049819694.db2.gz RMTJOBAMWPCHOP-GBESFXJTSA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005856 1049820111 /nfs/dbraw/zinc/82/01/11/1049820111.db2.gz RMTJOBAMWPCHOP-OTWHNJEPSA-N 1 3 330.491 4.022 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001171005856 1049820114 /nfs/dbraw/zinc/82/01/14/1049820114.db2.gz RMTJOBAMWPCHOP-OTWHNJEPSA-N 1 3 330.491 4.022 20 0 EIADHO CC1(C)C[C@H](Nc2cccc(F)c2CN)CC[N@@H+]1Cc1ccccc1 ZINC001171967721 1049828320 /nfs/dbraw/zinc/82/83/20/1049828320.db2.gz MWUVPQVTWSFRPQ-QGZVFWFLSA-N 1 3 341.474 4.140 20 0 EIADHO CC1(C)C[C@H](Nc2cccc(F)c2CN)CC[N@H+]1Cc1ccccc1 ZINC001171967721 1049828323 /nfs/dbraw/zinc/82/83/23/1049828323.db2.gz MWUVPQVTWSFRPQ-QGZVFWFLSA-N 1 3 341.474 4.140 20 0 EIADHO Clc1cccc2c1CC[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001171022668 1049865904 /nfs/dbraw/zinc/86/59/04/1049865904.db2.gz PGICYBJDCMMOGW-LJQANCHMSA-N 1 3 346.946 4.442 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@H]2CCCCO2)ccc1OC ZINC000180259746 1049873197 /nfs/dbraw/zinc/87/31/97/1049873197.db2.gz WHGGJTYQMFRZNY-FXAWDEMLSA-N 1 3 348.531 4.147 20 0 EIADHO CC(C)COCC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172485866 1049911604 /nfs/dbraw/zinc/91/16/04/1049911604.db2.gz ZOYPTAZAPTYBJY-HXUWFJFHSA-N 1 3 344.543 4.036 20 0 EIADHO CC(C)OCC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001172451448 1049914440 /nfs/dbraw/zinc/91/44/40/1049914440.db2.gz QASNAHSAYIBWTJ-MQGJPIDWSA-N 1 3 344.543 4.301 20 0 EIADHO CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001172451448 1049914450 /nfs/dbraw/zinc/91/44/50/1049914450.db2.gz QASNAHSAYIBWTJ-MQGJPIDWSA-N 1 3 344.543 4.301 20 0 EIADHO CC(C)OCC[C@H](C)N1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001172451448 1049914452 /nfs/dbraw/zinc/91/44/52/1049914452.db2.gz QASNAHSAYIBWTJ-MQGJPIDWSA-N 1 3 344.543 4.301 20 0 EIADHO CC(C)OCC[C@H](C)N1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001172451448 1049914479 /nfs/dbraw/zinc/91/44/79/1049914479.db2.gz QASNAHSAYIBWTJ-MQGJPIDWSA-N 1 3 344.543 4.301 20 0 EIADHO Clc1ccc2c(c1)C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172717001 1049964048 /nfs/dbraw/zinc/96/40/48/1049964048.db2.gz VAZPHKHLLIUKTF-IIBYNOLFSA-N 1 3 344.930 4.218 20 0 EIADHO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001172717001 1049964054 /nfs/dbraw/zinc/96/40/54/1049964054.db2.gz VAZPHKHLLIUKTF-IIBYNOLFSA-N 1 3 344.930 4.218 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247000576 1050009250 /nfs/dbraw/zinc/00/92/50/1050009250.db2.gz KRQPFRGJNKNSJB-ARFHVFGLSA-N 1 3 331.529 4.110 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247000576 1050009254 /nfs/dbraw/zinc/00/92/54/1050009254.db2.gz KRQPFRGJNKNSJB-ARFHVFGLSA-N 1 3 331.529 4.110 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247000576 1050009260 /nfs/dbraw/zinc/00/92/60/1050009260.db2.gz KRQPFRGJNKNSJB-ARFHVFGLSA-N 1 3 331.529 4.110 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000248172600 1050045569 /nfs/dbraw/zinc/04/55/69/1050045569.db2.gz VBBIDKDMYNBDSN-RDJZCZTQSA-N 1 3 341.524 4.119 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000248172600 1050045572 /nfs/dbraw/zinc/04/55/72/1050045572.db2.gz VBBIDKDMYNBDSN-RDJZCZTQSA-N 1 3 341.524 4.119 20 0 EIADHO CCCN1C[C@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172825531 1050166413 /nfs/dbraw/zinc/16/64/13/1050166413.db2.gz WXAKQMCGQOLUEA-INAZGPRKSA-N 1 3 326.528 4.062 20 0 EIADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001172832718 1050169513 /nfs/dbraw/zinc/16/95/13/1050169513.db2.gz UJLQRSBNSYQHPL-JOCHJYFZSA-N 1 3 326.528 4.097 20 0 EIADHO CC(C)[NH+]1CCC(N[C@@H](C)CSc2ccc(Cl)cc2)CC1 ZINC001172875207 1050214256 /nfs/dbraw/zinc/21/42/56/1050214256.db2.gz MTZIDMJWWAWWTK-AWEZNQCLSA-N 1 3 326.937 4.283 20 0 EIADHO CN(C)c1cccc(Cl)c1CNCCCCC[NH+]1CCCCC1 ZINC001177678837 1050276749 /nfs/dbraw/zinc/27/67/49/1050276749.db2.gz GJRIPMISNFBHHM-UHFFFAOYSA-N 1 3 337.939 4.152 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)nc1 ZINC000092066758 1050314624 /nfs/dbraw/zinc/31/46/24/1050314624.db2.gz JCHQEAJKRRBCGZ-NFBKMPQASA-N 1 3 347.506 4.197 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)nc1 ZINC000092066758 1050314634 /nfs/dbraw/zinc/31/46/34/1050314634.db2.gz JCHQEAJKRRBCGZ-NFBKMPQASA-N 1 3 347.506 4.197 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)nc1 ZINC000092066760 1050314789 /nfs/dbraw/zinc/31/47/89/1050314789.db2.gz JCHQEAJKRRBCGZ-OFNKIYASSA-N 1 3 347.506 4.197 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)nc1 ZINC000092066760 1050314803 /nfs/dbraw/zinc/31/48/03/1050314803.db2.gz JCHQEAJKRRBCGZ-OFNKIYASSA-N 1 3 347.506 4.197 20 0 EIADHO CC[C@H]1CC[C@H]([NH+]2CCC3(CCCN3Cc3c(C)noc3C)CC2)C1 ZINC001173284386 1050410605 /nfs/dbraw/zinc/41/06/05/1050410605.db2.gz ZNLMFJFMJWUCDC-OALUTQOASA-N 1 3 345.531 4.301 20 0 EIADHO c1cc(Oc2ccccc2)oc1CNCC1CC[NH+](CC2CC2)CC1 ZINC001203254504 1050450860 /nfs/dbraw/zinc/45/08/60/1050450860.db2.gz CYGJCKRQJGXAHQ-UHFFFAOYSA-N 1 3 340.467 4.284 20 0 EIADHO Cc1ccccc1N(C)c1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206200340 1050454461 /nfs/dbraw/zinc/45/44/61/1050454461.db2.gz RDIFAKHMJAFRJT-VQTJNVASSA-N 1 3 341.474 4.024 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC[C@@H]1CCCN1C ZINC001173540378 1050474971 /nfs/dbraw/zinc/47/49/71/1050474971.db2.gz WMLPRIWYNPAOML-HIFRSBDPSA-N 1 3 329.315 4.388 20 0 EIADHO Cc1cccc(CNCCCCC[NH+]2CCCC2)c1Br ZINC001178811910 1050559382 /nfs/dbraw/zinc/55/93/82/1050559382.db2.gz ZYUKMVAORMXHSU-UHFFFAOYSA-N 1 3 339.321 4.113 20 0 EIADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3c[nH]nc32)CC[N@@H+]1Cc1ccccc1 ZINC000093318225 1050560028 /nfs/dbraw/zinc/56/00/28/1050560028.db2.gz HDEIUPFRWFGURN-UTKZUKDTSA-N 1 3 348.494 4.048 20 0 EIADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3c[nH]nc32)CC[N@H+]1Cc1ccccc1 ZINC000093318225 1050560030 /nfs/dbraw/zinc/56/00/30/1050560030.db2.gz HDEIUPFRWFGURN-UTKZUKDTSA-N 1 3 348.494 4.048 20 0 EIADHO Cc1c(Cl)cccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001179095705 1050633122 /nfs/dbraw/zinc/63/31/22/1050633122.db2.gz MZTFZEDQBUZUDB-UHFFFAOYSA-N 1 3 343.902 4.045 20 0 EIADHO CCN1CCCC[C@@H]1C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001182001607 1051368321 /nfs/dbraw/zinc/36/83/21/1051368321.db2.gz MGSGDZATHOBDRT-MRXNPFEDSA-N 1 3 342.508 4.446 20 0 EIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCCC3(F)F)CC2)C1 ZINC001182054103 1051386498 /nfs/dbraw/zinc/38/64/98/1051386498.db2.gz SDNQLPCNFSABMC-RYRKJORJSA-N 1 3 328.491 4.445 20 0 EIADHO Fc1cccc(C2(CNC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000155278454 1051402183 /nfs/dbraw/zinc/40/21/83/1051402183.db2.gz UOFKALSFOVVLLN-UHFFFAOYSA-N 1 3 330.491 4.244 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000157653906 1051661678 /nfs/dbraw/zinc/66/16/78/1051661678.db2.gz NYURUBODSGXAKA-QEEYODRMSA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2csc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000157653906 1051661685 /nfs/dbraw/zinc/66/16/85/1051661685.db2.gz NYURUBODSGXAKA-QEEYODRMSA-N 1 3 344.524 4.242 20 0 EIADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001182783849 1051710815 /nfs/dbraw/zinc/71/08/15/1051710815.db2.gz YNGAHHOHLUMWKK-NHCUHLMSSA-N 1 3 329.532 4.242 20 0 EIADHO COc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000072980632 1051921691 /nfs/dbraw/zinc/92/16/91/1051921691.db2.gz RBHSIBWAAYEBGA-UHFFFAOYSA-N 1 3 342.458 4.110 20 0 EIADHO CC[NH+]1CCC(N[C@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000159305731 1051973051 /nfs/dbraw/zinc/97/30/51/1051973051.db2.gz YBNNYZJMNOIRLO-LRDDRELGSA-N 1 3 337.305 4.071 20 0 EIADHO c1ccc(CC[N@@H+]2CC[C@@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000192818540 1052640541 /nfs/dbraw/zinc/64/05/41/1052640541.db2.gz ZLRGILIFJDQZNB-NZQKXSOJSA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CC[N@H+]2CC[C@@H](CN[C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000192818540 1052640543 /nfs/dbraw/zinc/64/05/43/1052640543.db2.gz ZLRGILIFJDQZNB-NZQKXSOJSA-N 1 3 349.522 4.088 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000192818540 1052640546 /nfs/dbraw/zinc/64/05/46/1052640546.db2.gz ZLRGILIFJDQZNB-NZQKXSOJSA-N 1 3 349.522 4.088 20 0 EIADHO C[N@@H+]1CC[C@@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385671 1052641665 /nfs/dbraw/zinc/64/16/65/1052641665.db2.gz XZRGTOWCEFICPH-PBHICJAKSA-N 1 3 338.442 4.128 20 0 EIADHO C[N@H+]1CC[C@@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385671 1052641668 /nfs/dbraw/zinc/64/16/68/1052641668.db2.gz XZRGTOWCEFICPH-PBHICJAKSA-N 1 3 338.442 4.128 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623656265 1052698354 /nfs/dbraw/zinc/69/83/54/1052698354.db2.gz QMZCRKWVRIJEII-IBGZPJMESA-N 1 3 338.495 4.184 20 0 EIADHO COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCCCN(C)C3)ccc2c1 ZINC000624120025 1052867539 /nfs/dbraw/zinc/86/75/39/1052867539.db2.gz PROHRKJMUXKSMJ-IAGOWNOFSA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CCCCN(C)C3)c(C)c2c1 ZINC000624121120 1052867699 /nfs/dbraw/zinc/86/76/99/1052867699.db2.gz ONPHRCZXDGMQSN-JKSUJKDBSA-N 1 3 330.472 4.132 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000624124053 1052868201 /nfs/dbraw/zinc/86/82/01/1052868201.db2.gz VZJICWSWENQDBP-ZQDZILKHSA-N 1 3 326.937 4.215 20 0 EIADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000381195275 1053057034 /nfs/dbraw/zinc/05/70/34/1053057034.db2.gz ZVBSNEPYWJPDKP-FSSWDIPSSA-N 1 3 344.543 4.082 20 0 EIADHO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381292724 1053064040 /nfs/dbraw/zinc/06/40/40/1053064040.db2.gz XSEUXLLPDKTBNX-WSTZPKSXSA-N 1 3 338.495 4.256 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)ccn1 ZINC000850516351 1053276215 /nfs/dbraw/zinc/27/62/15/1053276215.db2.gz BTOSQUNGOSPLGX-BHIFYINESA-N 1 3 341.543 4.242 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000383365051 1053328841 /nfs/dbraw/zinc/32/88/41/1053328841.db2.gz UXUUVOAWPQDXLT-GHTZIAJQSA-N 1 3 326.459 4.389 20 0 EIADHO Cc1ccc2c(c1)[C@H](NCc1ccccc1OCC[NH+](C)C)CCC2 ZINC000339070522 1053339514 /nfs/dbraw/zinc/33/95/14/1053339514.db2.gz ZJWQYWOQQWEPRG-OAQYLSRUSA-N 1 3 338.495 4.103 20 0 EIADHO C[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000853248803 1053660137 /nfs/dbraw/zinc/66/01/37/1053660137.db2.gz JYYNSFQWTKNIIT-ZLGUVYLKSA-N 1 3 336.479 4.156 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCc2cncc3ccccc32)C1 ZINC000866260910 1053667522 /nfs/dbraw/zinc/66/75/22/1053667522.db2.gz PHORDZFIMHHLHA-MOPGFXCFSA-N 1 3 339.527 4.266 20 0 EIADHO c1cc(C2CCCC2)ccc1C[NH+]1CCC(N2CCCOCC2)CC1 ZINC001196631722 1053718155 /nfs/dbraw/zinc/71/81/55/1053718155.db2.gz HZACHJFPNSLGHO-UHFFFAOYSA-N 1 3 342.527 4.031 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2F)c2ccccc2)CC[N@@H+]1C ZINC000429522086 1053959331 /nfs/dbraw/zinc/95/93/31/1053959331.db2.gz SHSLCSGVHHYLPI-BSIFCXSSSA-N 1 3 326.459 4.182 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2F)c2ccccc2)CC[N@H+]1C ZINC000429522086 1053959342 /nfs/dbraw/zinc/95/93/42/1053959342.db2.gz SHSLCSGVHHYLPI-BSIFCXSSSA-N 1 3 326.459 4.182 20 0 EIADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559697 1054085801 /nfs/dbraw/zinc/08/58/01/1054085801.db2.gz SMUOPAJPWAIMNW-RXVVDRJESA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559697 1054085803 /nfs/dbraw/zinc/08/58/03/1054085803.db2.gz SMUOPAJPWAIMNW-RXVVDRJESA-N 1 3 347.547 4.057 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)ccc1OC ZINC000857082521 1054175241 /nfs/dbraw/zinc/17/52/41/1054175241.db2.gz WUHINHLAGAPSJR-WMLDXEAASA-N 1 3 340.458 4.233 20 0 EIADHO Cc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc2cccnc12 ZINC001199045872 1054332898 /nfs/dbraw/zinc/33/28/98/1054332898.db2.gz WUYXJPBXSMJFNN-UHFFFAOYSA-N 1 3 345.490 4.429 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CNCc2cc(C)sc2C)cc1 ZINC001199329527 1054392210 /nfs/dbraw/zinc/39/22/10/1054392210.db2.gz VRZUPAFPEVGKLG-UHFFFAOYSA-N 1 3 346.540 4.375 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)CC1 ZINC001199784157 1054470825 /nfs/dbraw/zinc/47/08/25/1054470825.db2.gz PSTHACWOVPFHQL-KRWDZBQOSA-N 1 3 348.531 4.227 20 0 EIADHO c1ccc2c(c1)CCC[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001200863753 1054557934 /nfs/dbraw/zinc/55/79/34/1054557934.db2.gz IUWMKZYQQSSQOL-OAQYLSRUSA-N 1 3 326.528 4.321 20 0 EIADHO Fc1c(CNC2CCC([NH+]3CCCCC3)CC2)cccc1OC1CC1 ZINC001200880427 1054565004 /nfs/dbraw/zinc/56/50/04/1054565004.db2.gz SUFPJDQDOFAUJM-UHFFFAOYSA-N 1 3 346.490 4.254 20 0 EIADHO CC[NH+](CC)CCOc1ccccc1CNCc1ccc(C)cc1C ZINC000061069847 1054740695 /nfs/dbraw/zinc/74/06/95/1054740695.db2.gz NGAFRDKHUBGUQS-UHFFFAOYSA-N 1 3 340.511 4.314 20 0 EIADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](CCc1ccccc1)CC2 ZINC001201596278 1054847461 /nfs/dbraw/zinc/84/74/61/1054847461.db2.gz BXKURMGJRGDNBA-OAQYLSRUSA-N 1 3 338.495 4.199 20 0 EIADHO CCOc1cccc(F)c1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001201607395 1054863795 /nfs/dbraw/zinc/86/37/95/1054863795.db2.gz BFHFLJKRUAGCQH-UHFFFAOYSA-N 1 3 348.506 4.357 20 0 EIADHO FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202441964 1055176739 /nfs/dbraw/zinc/17/67/39/1055176739.db2.gz IVBYZCRDTPIQIV-GOSISDBHSA-N 1 3 340.433 4.317 20 0 EIADHO FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202441964 1055176745 /nfs/dbraw/zinc/17/67/45/1055176745.db2.gz IVBYZCRDTPIQIV-GOSISDBHSA-N 1 3 340.433 4.317 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCCCc1ccccc1 ZINC000863541583 1055224915 /nfs/dbraw/zinc/22/49/15/1055224915.db2.gz JQTCOTJCYMKMRL-KRWDZBQOSA-N 1 3 325.500 4.302 20 0 EIADHO Clc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC000863546965 1055226409 /nfs/dbraw/zinc/22/64/09/1055226409.db2.gz IHQSPCNWBZKBSZ-RLLQIKCJSA-N 1 3 326.871 4.410 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000166407354 1055547400 /nfs/dbraw/zinc/54/74/00/1055547400.db2.gz QYNKIXXWONPCBS-HUUCEWRRSA-N 1 3 341.326 4.487 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000166407354 1055547414 /nfs/dbraw/zinc/54/74/14/1055547414.db2.gz QYNKIXXWONPCBS-HUUCEWRRSA-N 1 3 341.326 4.487 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001169092639 1060632519 /nfs/dbraw/zinc/63/25/19/1060632519.db2.gz BYPCNYVCMSFGNR-CLLJXQQHSA-N 1 3 332.797 4.074 20 0 EIADHO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000078847300 217134489 /nfs/dbraw/zinc/13/44/89/217134489.db2.gz RMNSWSDTZCVFLZ-FVJLSDCUSA-N 1 3 348.506 4.098 20 0 EIADHO CSc1ccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298165306 526058385 /nfs/dbraw/zinc/05/83/85/526058385.db2.gz SXHFRPZEAVBUCT-OAHLLOKOSA-N 1 3 327.497 4.123 20 0 EIADHO C[NH+](C)CCOc1ccccc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000532206132 1032092909 /nfs/dbraw/zinc/09/29/09/1032092909.db2.gz FFYYCJOHXFVIPM-NRFANRHFSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000532214760 1032094832 /nfs/dbraw/zinc/09/48/32/1032094832.db2.gz LCFFWJGJKWZARJ-HUUCEWRRSA-N 1 3 339.321 4.220 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccc2cc[nH]c21 ZINC000532374316 1032213577 /nfs/dbraw/zinc/21/35/77/1032213577.db2.gz FPAPDCFIMMKZTG-OEWRPIJISA-N 1 3 347.506 4.414 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccc2cc[nH]c21 ZINC000532374316 1032213596 /nfs/dbraw/zinc/21/35/96/1032213596.db2.gz FPAPDCFIMMKZTG-OEWRPIJISA-N 1 3 347.506 4.414 20 0 EIADHO CN1CCCC[C@@H]1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533354618 1032689713 /nfs/dbraw/zinc/68/97/13/1032689713.db2.gz IIMUUOJAXYCSMY-GOSISDBHSA-N 1 3 341.474 4.271 20 0 EIADHO CN1CCCC[C@@H]1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533354618 1032689719 /nfs/dbraw/zinc/68/97/19/1032689719.db2.gz IIMUUOJAXYCSMY-GOSISDBHSA-N 1 3 341.474 4.271 20 0 EIADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547266 1018919080 /nfs/dbraw/zinc/91/90/80/1018919080.db2.gz BXMNXXKFJCXENZ-DLBZAZTESA-N 1 3 339.527 4.488 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCc2cc(F)ccc21 ZINC000398107405 1020463598 /nfs/dbraw/zinc/46/35/98/1020463598.db2.gz BYHHGMZJGWHUQN-HVETUWLQSA-N 1 3 338.470 4.313 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCc2cc(F)ccc21 ZINC000398107405 1020463615 /nfs/dbraw/zinc/46/36/15/1020463615.db2.gz BYHHGMZJGWHUQN-HVETUWLQSA-N 1 3 338.470 4.313 20 0 EIADHO Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)s2)cc1C ZINC000655717123 1020913484 /nfs/dbraw/zinc/91/34/84/1020913484.db2.gz VFLOFFGMZJDQPE-INIZCTEOSA-N 1 3 341.524 4.001 20 0 EIADHO C[N@@H+]1CCC[C@H](CNCc2cc3ccccc3[nH]2)[C@@H]1c1cccs1 ZINC000683930268 1022000530 /nfs/dbraw/zinc/00/05/30/1022000530.db2.gz YITXFXZDCDRIGH-OXQOHEQNSA-N 1 3 339.508 4.402 20 0 EIADHO C[N@H+]1CCC[C@H](CNCc2cc3ccccc3[nH]2)[C@@H]1c1cccs1 ZINC000683930268 1022000534 /nfs/dbraw/zinc/00/05/34/1022000534.db2.gz YITXFXZDCDRIGH-OXQOHEQNSA-N 1 3 339.508 4.402 20 0 EIADHO COc1cccc([C@@H](C)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310858208 1022523036 /nfs/dbraw/zinc/52/30/36/1022523036.db2.gz BYMOXHZFKZYYNU-XMSQKQJNSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@@H](C)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310858208 1022523061 /nfs/dbraw/zinc/52/30/61/1022523061.db2.gz BYMOXHZFKZYYNU-XMSQKQJNSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@H](C)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000310891193 1022680482 /nfs/dbraw/zinc/68/04/82/1022680482.db2.gz KPYVCGHXNWWOMP-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310891193 1022680484 /nfs/dbraw/zinc/68/04/84/1022680484.db2.gz KPYVCGHXNWWOMP-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)cs1 ZINC000581326324 1023025467 /nfs/dbraw/zinc/02/54/67/1023025467.db2.gz TWKUHOPVVGUNGE-NLWGTHIKSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)cs1 ZINC000581326324 1023025481 /nfs/dbraw/zinc/02/54/81/1023025481.db2.gz TWKUHOPVVGUNGE-NLWGTHIKSA-N 1 3 341.524 4.081 20 0 EIADHO Cc1nc(-c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cc2)cs1 ZINC000581326324 1023025494 /nfs/dbraw/zinc/02/54/94/1023025494.db2.gz TWKUHOPVVGUNGE-NLWGTHIKSA-N 1 3 341.524 4.081 20 0 EIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347039 1023273958 /nfs/dbraw/zinc/27/39/58/1023273958.db2.gz VOFFRVCFZYDUPB-BGJMDTOESA-N 1 3 332.557 4.483 20 0 EIADHO [NH3+]CCC[C@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000415061127 1023413975 /nfs/dbraw/zinc/41/39/75/1023413975.db2.gz XZJUCAJXDAEWPR-INIZCTEOSA-N 1 3 343.521 4.441 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](N)CC(C)C)s2)cc1 ZINC000415096615 1023441470 /nfs/dbraw/zinc/44/14/70/1023441470.db2.gz BTOWOFXXGQXBIL-BBRMVZONSA-N 1 3 347.528 4.151 20 0 EIADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125067 1023513602 /nfs/dbraw/zinc/51/36/02/1023513602.db2.gz OZSFSCZNMILEBA-HOTGVXAUSA-N 1 3 342.449 4.473 20 0 EIADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125067 1023513617 /nfs/dbraw/zinc/51/36/17/1023513617.db2.gz OZSFSCZNMILEBA-HOTGVXAUSA-N 1 3 342.449 4.473 20 0 EIADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125068 1023514968 /nfs/dbraw/zinc/51/49/68/1023514968.db2.gz OZSFSCZNMILEBA-HZPDHXFCSA-N 1 3 342.449 4.473 20 0 EIADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000500125068 1023514981 /nfs/dbraw/zinc/51/49/81/1023514981.db2.gz OZSFSCZNMILEBA-HZPDHXFCSA-N 1 3 342.449 4.473 20 0 EIADHO COc1ccc([C@@H](C)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311123372 1023577447 /nfs/dbraw/zinc/57/74/47/1023577447.db2.gz HPZJHEKDDHEXNG-GCJKJVERSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311123372 1023577453 /nfs/dbraw/zinc/57/74/53/1023577453.db2.gz HPZJHEKDDHEXNG-GCJKJVERSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311138182 1023584054 /nfs/dbraw/zinc/58/40/54/1023584054.db2.gz YESBTBOHVFOTRS-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2[nH]ccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311138182 1023584061 /nfs/dbraw/zinc/58/40/61/1023584061.db2.gz YESBTBOHVFOTRS-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@H](NCc1ccc2[nH]ccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311138182 1023584068 /nfs/dbraw/zinc/58/40/68/1023584068.db2.gz YESBTBOHVFOTRS-UWJYYQICSA-N 1 3 333.479 4.168 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000473136677 1024367919 /nfs/dbraw/zinc/36/79/19/1024367919.db2.gz CQNJQGKLOWUKHF-UHFFFAOYSA-N 1 3 327.516 4.339 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc3ccsc32)[C@@H](C)C1 ZINC000652219680 1024390541 /nfs/dbraw/zinc/39/05/41/1024390541.db2.gz IJVSXDVMIVFHGP-LPHOPBHVSA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc3ccsc32)[C@@H](C)C1 ZINC000652219680 1024390558 /nfs/dbraw/zinc/39/05/58/1024390558.db2.gz IJVSXDVMIVFHGP-LPHOPBHVSA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc3ccsc32)[C@@H](C)C1 ZINC000652219681 1024391535 /nfs/dbraw/zinc/39/15/35/1024391535.db2.gz IJVSXDVMIVFHGP-QFBILLFUSA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc3ccsc32)[C@@H](C)C1 ZINC000652219681 1024391546 /nfs/dbraw/zinc/39/15/46/1024391546.db2.gz IJVSXDVMIVFHGP-QFBILLFUSA-N 1 3 346.540 4.128 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092380951 1024800249 /nfs/dbraw/zinc/80/02/49/1024800249.db2.gz PZDZRADQYNSHEO-UHFFFAOYSA-N 1 3 341.474 4.051 20 0 EIADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001167505552 1025539605 /nfs/dbraw/zinc/53/96/05/1025539605.db2.gz UIQRYNRAPBHQBI-FQEVSTJZSA-N 1 3 326.459 4.088 20 0 EIADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC001167505552 1025539624 /nfs/dbraw/zinc/53/96/24/1025539624.db2.gz UIQRYNRAPBHQBI-FQEVSTJZSA-N 1 3 326.459 4.088 20 0 EIADHO Cc1ccc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000657296232 1025744766 /nfs/dbraw/zinc/74/47/66/1025744766.db2.gz DBXJWBQKCVRDPV-UHFFFAOYSA-N 1 3 333.479 4.362 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N1CCSC[C@@H]1c1ccc(F)cc1 ZINC001167833330 1025788553 /nfs/dbraw/zinc/78/85/53/1025788553.db2.gz AFRDRCNGTCXCIM-VQIMIIECSA-N 1 3 338.536 4.426 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000431328329 1025874941 /nfs/dbraw/zinc/87/49/41/1025874941.db2.gz MLXYJIGVUBRWJJ-LJQANCHMSA-N 1 3 348.918 4.326 20 0 EIADHO CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000187789299 1025902355 /nfs/dbraw/zinc/90/23/55/1025902355.db2.gz UXDYDHMUIKZVNW-HXUWFJFHSA-N 1 3 330.447 4.007 20 0 EIADHO CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(F)c1 ZINC000187789566 1025903392 /nfs/dbraw/zinc/90/33/92/1025903392.db2.gz WGTSPSBRRWYMMG-HXUWFJFHSA-N 1 3 330.447 4.007 20 0 EIADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Oc2cccnc2)cc1 ZINC000344090898 1025999862 /nfs/dbraw/zinc/99/98/62/1025999862.db2.gz JPIJOTDWBMGIDZ-AEFFLSMTSA-N 1 3 325.456 4.009 20 0 EIADHO Fc1ccccc1[C@H](F)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000511066131 1026081485 /nfs/dbraw/zinc/08/14/85/1026081485.db2.gz QMHPCFAQKSQRET-HXUWFJFHSA-N 1 3 336.470 4.424 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(OCC)c(OC)c2)CC1 ZINC000506896618 1026509013 /nfs/dbraw/zinc/50/90/13/1026509013.db2.gz NQEYLRFGJCNWQE-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(OCC)c(OC)c2)CC1 ZINC000506896618 1026509023 /nfs/dbraw/zinc/50/90/23/1026509023.db2.gz NQEYLRFGJCNWQE-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO CCCCCOc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC ZINC000506933832 1026537384 /nfs/dbraw/zinc/53/73/84/1026537384.db2.gz XJJJVNWBJUYOSB-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCc4ccccc42)C3)cc1 ZINC000499153707 1026608635 /nfs/dbraw/zinc/60/86/35/1026608635.db2.gz SLOXRDWBNPNOJL-QXUYBEEESA-N 1 3 332.491 4.459 20 0 EIADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCc4ccccc42)C3)cc1 ZINC000499153707 1026608644 /nfs/dbraw/zinc/60/86/44/1026608644.db2.gz SLOXRDWBNPNOJL-QXUYBEEESA-N 1 3 332.491 4.459 20 0 EIADHO FC(F)(F)CCCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512287910 1026655028 /nfs/dbraw/zinc/65/50/28/1026655028.db2.gz WNCTWFYKKOUFTO-SFHVURJKSA-N 1 3 340.433 4.317 20 0 EIADHO FC(F)(F)CCCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000512287910 1026655036 /nfs/dbraw/zinc/65/50/36/1026655036.db2.gz WNCTWFYKKOUFTO-SFHVURJKSA-N 1 3 340.433 4.317 20 0 EIADHO CCN1CC[C@H](C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000582457711 1026666428 /nfs/dbraw/zinc/66/64/28/1026666428.db2.gz BHZWWKYVCGKOFB-JOCHJYFZSA-N 1 3 336.523 4.019 20 0 EIADHO CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000507447447 1026797550 /nfs/dbraw/zinc/79/75/50/1026797550.db2.gz HUIWZBCSJJATQT-LVCYWYKZSA-N 1 3 337.511 4.205 20 0 EIADHO Cc1ccccc1SC[C@@H](C)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001167599044 1026943397 /nfs/dbraw/zinc/94/33/97/1026943397.db2.gz NWSPWVTUTKYFDW-FXAWDEMLSA-N 1 3 346.584 4.387 20 0 EIADHO Cc1ccccc1SC[C@@H](C)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001167599044 1026943410 /nfs/dbraw/zinc/94/34/10/1026943410.db2.gz NWSPWVTUTKYFDW-FXAWDEMLSA-N 1 3 346.584 4.387 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@@H](C)[N@@H+]2CCCC[C@@H](SC)C2)C1 ZINC000441107027 1027302644 /nfs/dbraw/zinc/30/26/44/1027302644.db2.gz WNMUZKYXZQAXDA-KZNAEPCWSA-N 1 3 344.634 4.200 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@@H](C)[N@H+]2CCCC[C@@H](SC)C2)C1 ZINC000441107027 1027302668 /nfs/dbraw/zinc/30/26/68/1027302668.db2.gz WNMUZKYXZQAXDA-KZNAEPCWSA-N 1 3 344.634 4.200 20 0 EIADHO CC[NH+]1CCC(N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC1 ZINC000204973679 1027304515 /nfs/dbraw/zinc/30/45/15/1027304515.db2.gz LTOCAPWSJFNHRR-SFHVURJKSA-N 1 3 331.891 4.273 20 0 EIADHO C[C@@H]1CC(N2CCC(F)(F)[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041209 1027432719 /nfs/dbraw/zinc/43/27/19/1027432719.db2.gz QZIAUKFOONSEBV-GVDBMIGSSA-N 1 3 336.470 4.405 20 0 EIADHO Cn1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c2ccccc21 ZINC000657661695 1027458949 /nfs/dbraw/zinc/45/89/49/1027458949.db2.gz ITAZMWGFKYSNLI-UHFFFAOYSA-N 1 3 339.527 4.108 20 0 EIADHO C[C@H](c1ccc(Br)cc1)[N@H+](C)CC[C@@H]1CCCCN1C ZINC000441359831 1027477454 /nfs/dbraw/zinc/47/74/54/1027477454.db2.gz RWPBRPUJYBBBSC-PBHICJAKSA-N 1 3 339.321 4.316 20 0 EIADHO C[C@H](c1ccc(Br)cc1)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000441359831 1027477459 /nfs/dbraw/zinc/47/74/59/1027477459.db2.gz RWPBRPUJYBBBSC-PBHICJAKSA-N 1 3 339.321 4.316 20 0 EIADHO COc1cccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167995087 1027739196 /nfs/dbraw/zinc/73/91/96/1027739196.db2.gz VOKSIDVKSHPBSP-CZJMCEMMSA-N 1 3 340.511 4.238 20 0 EIADHO COc1cccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167995087 1027739221 /nfs/dbraw/zinc/73/92/21/1027739221.db2.gz VOKSIDVKSHPBSP-CZJMCEMMSA-N 1 3 340.511 4.238 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](CNCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000582952355 1027753209 /nfs/dbraw/zinc/75/32/09/1027753209.db2.gz WFOMHDCJYMNBRT-IUODEOHRSA-N 1 3 335.904 4.071 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000583052206 1027903509 /nfs/dbraw/zinc/90/35/09/1027903509.db2.gz XZOKBYUPMBPEDD-NVXWUHKLSA-N 1 3 342.449 4.346 20 0 EIADHO COc1ccc([C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000522546632 1028007804 /nfs/dbraw/zinc/00/78/04/1028007804.db2.gz XDWMPKPMAMJBFI-GUYCJALGSA-N 1 3 326.912 4.366 20 0 EIADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000123612695 1028077914 /nfs/dbraw/zinc/07/79/14/1028077914.db2.gz YIILYVAUFVPYPE-AWEZNQCLSA-N 1 3 331.529 4.487 20 0 EIADHO CC[N@H+]1C[C@H](N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000343256716 1028817650 /nfs/dbraw/zinc/81/76/50/1028817650.db2.gz PWRGNGYWJCTPRT-DEYYWGMASA-N 1 3 329.513 4.109 20 0 EIADHO CC[N@@H+]1C[C@H](N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)[C@@H](C)C1 ZINC000343256716 1028817661 /nfs/dbraw/zinc/81/76/61/1028817661.db2.gz PWRGNGYWJCTPRT-DEYYWGMASA-N 1 3 329.513 4.109 20 0 EIADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000635009908 1028817690 /nfs/dbraw/zinc/81/76/90/1028817690.db2.gz IFQGDPFMGZPDMO-SOUVJXGZSA-N 1 3 331.529 4.156 20 0 EIADHO C[NH2+]Cc1ccccc1CNCc1ccc(OCCC(C)C)cc1 ZINC000650718386 1028878161 /nfs/dbraw/zinc/87/81/61/1028878161.db2.gz JTFUZULFXKDQMC-UHFFFAOYSA-N 1 3 326.484 4.121 20 0 EIADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC000522973584 1029139489 /nfs/dbraw/zinc/13/94/89/1029139489.db2.gz BRQKXHXEUKHIBU-CJNGLKHVSA-N 1 3 328.447 4.305 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000650758311 1029210792 /nfs/dbraw/zinc/21/07/92/1029210792.db2.gz NBRWAVSRFDEZFD-KRWDZBQOSA-N 1 3 335.278 4.490 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCSc2ccc(Cl)cc21 ZINC000650758447 1029212531 /nfs/dbraw/zinc/21/25/31/1029212531.db2.gz PWPNZJYQDYCNGE-QGZVFWFLSA-N 1 3 332.900 4.386 20 0 EIADHO Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000168502987 1029485605 /nfs/dbraw/zinc/48/56/05/1029485605.db2.gz RCRJDIVGLIYOLL-DLBZAZTESA-N 1 3 344.474 4.486 20 0 EIADHO CC(C)COc1ccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166534760 1029533574 /nfs/dbraw/zinc/53/35/74/1029533574.db2.gz GKTMFPVRUSMESE-VQTJNVASSA-N 1 3 344.543 4.215 20 0 EIADHO CC(C)COc1ccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166534760 1029533580 /nfs/dbraw/zinc/53/35/80/1029533580.db2.gz GKTMFPVRUSMESE-VQTJNVASSA-N 1 3 344.543 4.215 20 0 EIADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CCCS2 ZINC000446747915 1029555909 /nfs/dbraw/zinc/55/59/09/1029555909.db2.gz JNGDQYUCTLWVOH-GOSISDBHSA-N 1 3 334.529 4.088 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2s1 ZINC000446817219 1029580427 /nfs/dbraw/zinc/58/04/27/1029580427.db2.gz GYDWWPGMKKJUJB-BBWFWOEESA-N 1 3 346.540 4.441 20 0 EIADHO Clc1ccc2c(c1)CC[C@H]2N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000530217934 1030225719 /nfs/dbraw/zinc/22/57/19/1030225719.db2.gz CUYJBJOIXGCIRF-SXLOBPIMSA-N 1 3 326.871 4.410 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000548851785 1030634602 /nfs/dbraw/zinc/63/46/02/1030634602.db2.gz FHCPGEDZZOCZAD-YVGNARHYSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@H]1CCC[N@H+](C)C1 ZINC000548851785 1030634616 /nfs/dbraw/zinc/63/46/16/1030634616.db2.gz FHCPGEDZZOCZAD-YVGNARHYSA-N 1 3 326.406 4.040 20 0 EIADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657932153 1030636841 /nfs/dbraw/zinc/63/68/41/1030636841.db2.gz UQPQMHBWDDNADY-HZPDHXFCSA-N 1 3 331.529 4.315 20 0 EIADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657932153 1030636853 /nfs/dbraw/zinc/63/68/53/1030636853.db2.gz UQPQMHBWDDNADY-HZPDHXFCSA-N 1 3 331.529 4.315 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133003 1030713105 /nfs/dbraw/zinc/71/31/05/1030713105.db2.gz KDLIBUYHNUNNGB-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2cc[nH]c2c1 ZINC000398133003 1030713124 /nfs/dbraw/zinc/71/31/24/1030713124.db2.gz KDLIBUYHNUNNGB-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO c1ccc([C@H](CC2CC2)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658163905 1030860544 /nfs/dbraw/zinc/86/05/44/1030860544.db2.gz BXVKXBCSUKPBIQ-QHCPKHFHSA-N 1 3 349.522 4.425 20 0 EIADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165407 1030862975 /nfs/dbraw/zinc/86/29/75/1030862975.db2.gz JJXMOPFVKZXLCA-AVRDEDQJSA-N 1 3 349.522 4.440 20 0 EIADHO Oc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000658240093 1030897884 /nfs/dbraw/zinc/89/78/84/1030897884.db2.gz XSYQYZFFSBKZDS-VLVHOKLOSA-N 1 3 348.490 4.165 20 0 EIADHO Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)CC2 ZINC000658240090 1030898153 /nfs/dbraw/zinc/89/81/53/1030898153.db2.gz XSYQYZFFSBKZDS-ISHFTEKXSA-N 1 3 348.490 4.165 20 0 EIADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000171126269 1031186417 /nfs/dbraw/zinc/18/64/17/1031186417.db2.gz FZMOERULCPUINJ-MRXNPFEDSA-N 1 3 330.447 4.007 20 0 EIADHO COc1cccc2c(C[NH2+]C3CCN(C4CCCC4)CC3)cccc12 ZINC000449192447 1031511380 /nfs/dbraw/zinc/51/13/80/1031511380.db2.gz YHLGVMUWFREIIQ-UHFFFAOYSA-N 1 3 338.495 4.345 20 0 EIADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000453193669 1031703557 /nfs/dbraw/zinc/70/35/57/1031703557.db2.gz GKZLQYYKLZPGLB-HBFSDRIKSA-N 1 3 329.532 4.035 20 0 EIADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCCO2 ZINC000453335185 1031861153 /nfs/dbraw/zinc/86/11/53/1031861153.db2.gz DCPGHNOQYOZINF-AQDPXUSMSA-N 1 3 328.500 4.239 20 0 EIADHO Cc1cc([C@H](NCCCC[N@@H+](C)C2CC2)c2cccnc2)ccc1F ZINC000453405919 1031942399 /nfs/dbraw/zinc/94/23/99/1031942399.db2.gz QVPWEBAUPKUTRR-NRFANRHFSA-N 1 3 341.474 4.083 20 0 EIADHO Cc1cc([C@H](NCCCC[N@H+](C)C2CC2)c2cccnc2)ccc1F ZINC000453405919 1031942421 /nfs/dbraw/zinc/94/24/21/1031942421.db2.gz QVPWEBAUPKUTRR-NRFANRHFSA-N 1 3 341.474 4.083 20 0 EIADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000512632313 1033555515 /nfs/dbraw/zinc/55/55/15/1033555515.db2.gz YZSBOIQZBGAPKD-YSIASYRMSA-N 1 3 348.481 4.455 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411425862 1033891533 /nfs/dbraw/zinc/89/15/33/1033891533.db2.gz MZDNXWODDUWIPA-UHFFFAOYSA-N 1 3 345.462 4.035 20 0 EIADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000501419517 1035442334 /nfs/dbraw/zinc/44/23/34/1035442334.db2.gz GZYHKHYRHXXEET-LTBFUDJGSA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000501419517 1035442337 /nfs/dbraw/zinc/44/23/37/1035442337.db2.gz GZYHKHYRHXXEET-LTBFUDJGSA-N 1 3 326.406 4.040 20 0 EIADHO Cc1nc([C@@H](C)N2CCC[C@@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420319107 1035512402 /nfs/dbraw/zinc/51/24/02/1035512402.db2.gz XDBOUXCEDPHRDM-CABCVRRESA-N 1 3 347.890 4.425 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001168414387 1036827728 /nfs/dbraw/zinc/82/77/28/1036827728.db2.gz FRDSHCUIEMEDSJ-FQEVSTJZSA-N 1 3 330.491 4.070 20 0 EIADHO c1nc2cc(CNCc3cccc(C[NH+]4CCCCCC4)c3)ccc2[nH]1 ZINC000589647210 1036858659 /nfs/dbraw/zinc/85/86/59/1036858659.db2.gz NQCOYVPJMMWRIA-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO c1nc2ccc(CNCc3cccc(C[NH+]4CCCCCC4)c3)cc2[nH]1 ZINC000589647210 1036858664 /nfs/dbraw/zinc/85/86/64/1036858664.db2.gz NQCOYVPJMMWRIA-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO Clc1csc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000486928361 1036894554 /nfs/dbraw/zinc/89/45/54/1036894554.db2.gz UZDWHGQMYZMKPL-CYBMUJFWSA-N 1 3 340.945 4.465 20 0 EIADHO Clc1csc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000486928361 1036894555 /nfs/dbraw/zinc/89/45/55/1036894555.db2.gz UZDWHGQMYZMKPL-CYBMUJFWSA-N 1 3 340.945 4.465 20 0 EIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCc2cccc3[nH]ccc32)CC1 ZINC000503121268 1036919686 /nfs/dbraw/zinc/91/96/86/1036919686.db2.gz NTWFWTFDXFEFGK-VGSWGCGISA-N 1 3 339.527 4.343 20 0 EIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3cccc4[nH]ccc43)CC2)C1 ZINC000503116683 1036930770 /nfs/dbraw/zinc/93/07/70/1036930770.db2.gz HLQZNHXIXHROAW-PXNSSMCTSA-N 1 3 339.527 4.343 20 0 EIADHO N[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C1CC1 ZINC000573082397 1037345552 /nfs/dbraw/zinc/34/55/52/1037345552.db2.gz AFPGXLCZCACSDB-HUUCEWRRSA-N 1 3 347.915 4.168 20 0 EIADHO C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414654314 1037670551 /nfs/dbraw/zinc/67/05/51/1037670551.db2.gz ITXDZNKXGOJOFZ-AJSFGMTHSA-N 1 3 326.406 4.024 20 0 EIADHO CCCN(Cc1ccc(-c2ccccc2OC)cc1)C1CC[NH2+]CC1 ZINC000414659102 1037698986 /nfs/dbraw/zinc/69/89/86/1037698986.db2.gz RTSQSLBPGVFUMI-UHFFFAOYSA-N 1 3 338.495 4.326 20 0 EIADHO CCC[N@H+](Cc1ccc(-c2ccccc2OC)cc1)C1CCNCC1 ZINC000414659102 1037698994 /nfs/dbraw/zinc/69/89/94/1037698994.db2.gz RTSQSLBPGVFUMI-UHFFFAOYSA-N 1 3 338.495 4.326 20 0 EIADHO CCC[N@@H+](Cc1ccc(-c2ccccc2OC)cc1)C1CCNCC1 ZINC000414659102 1037699007 /nfs/dbraw/zinc/69/90/07/1037699007.db2.gz RTSQSLBPGVFUMI-UHFFFAOYSA-N 1 3 338.495 4.326 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000422718236 1037814052 /nfs/dbraw/zinc/81/40/52/1037814052.db2.gz PMSBLRFWBQWYJS-VLIAUNLRSA-N 1 3 327.447 4.180 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000422719631 1037815451 /nfs/dbraw/zinc/81/54/51/1037815451.db2.gz YZRMFOZUGQSKEB-LQBOVUBWSA-N 1 3 337.511 4.301 20 0 EIADHO Cc1cccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000422747215 1037823852 /nfs/dbraw/zinc/82/38/52/1037823852.db2.gz PMTVXJZNPUUBNG-WEYGHZABSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000422800115 1037836482 /nfs/dbraw/zinc/83/64/82/1037836482.db2.gz AUMPSWPXEUKPHC-RYUDHWBXSA-N 1 3 337.389 4.279 20 0 EIADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422804648 1037837362 /nfs/dbraw/zinc/83/73/62/1037837362.db2.gz HZLWWIINTYYVGC-CIQXWFTPSA-N 1 3 336.479 4.197 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000422892216 1037855782 /nfs/dbraw/zinc/85/57/82/1037855782.db2.gz XVAWHNSOQUENTJ-PPDQVPDSSA-N 1 3 337.511 4.473 20 0 EIADHO Cc1cccc(C2(C[NH2+][C@H](C)c3ccc(CN)nc3C)CCCC2)c1 ZINC000422901761 1037863026 /nfs/dbraw/zinc/86/30/26/1037863026.db2.gz CDTFPPRMIMQZED-QGZVFWFLSA-N 1 3 337.511 4.320 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000422927720 1037870998 /nfs/dbraw/zinc/87/09/98/1037870998.db2.gz ZWVDKYXTLJJKSZ-YPMHNXCESA-N 1 3 337.389 4.279 20 0 EIADHO CC[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)Oc1cccc(Cl)c1 ZINC000422927381 1037871083 /nfs/dbraw/zinc/87/10/83/1037871083.db2.gz GKJPMZSJTQCCLK-CXAGYDPISA-N 1 3 347.890 4.010 20 0 EIADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422940096 1037876473 /nfs/dbraw/zinc/87/64/73/1037876473.db2.gz IQFUVVLLNSOVOM-JLFJNAHLSA-N 1 3 332.491 4.001 20 0 EIADHO Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422974247 1037893630 /nfs/dbraw/zinc/89/36/30/1037893630.db2.gz QQCCNPFJCGUWQA-RDTXWAMCSA-N 1 3 327.472 4.114 20 0 EIADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)nc1 ZINC000422997586 1037897779 /nfs/dbraw/zinc/89/77/79/1037897779.db2.gz OLXKLVUDFPKWAL-BAGYTPMASA-N 1 3 335.495 4.149 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000423023354 1037907745 /nfs/dbraw/zinc/90/77/45/1037907745.db2.gz JQFXIDNPUIWJBM-HOTGVXAUSA-N 1 3 325.500 4.254 20 0 EIADHO C[C@@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000423082215 1037946804 /nfs/dbraw/zinc/94/68/04/1037946804.db2.gz WPUQIYRVBOMEOS-HEFCMCLBSA-N 1 3 342.870 4.247 20 0 EIADHO FC1(c2cccc(Cl)c2)CC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423095834 1037954094 /nfs/dbraw/zinc/95/40/94/1037954094.db2.gz NEAFSVDJRHBSFR-OLOUCDKRSA-N 1 3 336.882 4.178 20 0 EIADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423097296 1037955550 /nfs/dbraw/zinc/95/55/50/1037955550.db2.gz QRVGNSBVGNVHQQ-MWQQHZPXSA-N 1 3 326.406 4.201 20 0 EIADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423125917 1037977111 /nfs/dbraw/zinc/97/71/11/1037977111.db2.gz IMMHZPPTEPZQCR-AQNXPRMDSA-N 1 3 344.886 4.067 20 0 EIADHO FC(F)(F)c1cccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000423107104 1037985949 /nfs/dbraw/zinc/98/59/49/1037985949.db2.gz PGOSBYKHDLFFOF-IRXDYDNUSA-N 1 3 326.406 4.278 20 0 EIADHO [NH3+][C@@H]1C[C@H](NCC[C@H](c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000423140107 1038013900 /nfs/dbraw/zinc/01/39/00/1038013900.db2.gz XHYHTQUZEGSOTH-KURKYZTESA-N 1 3 334.385 4.457 20 0 EIADHO COc1ccc([C@@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423250936 1038081771 /nfs/dbraw/zinc/08/17/71/1038081771.db2.gz RFVGDDFBRUHGGO-FOIQADDNSA-N 1 3 344.886 4.027 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)s2)cc1 ZINC000423290403 1038090642 /nfs/dbraw/zinc/09/06/42/1038090642.db2.gz CUVGXUFCAPPGSY-MNOVXSKESA-N 1 3 339.302 4.381 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(Br)c2)cc1 ZINC000423294575 1038120552 /nfs/dbraw/zinc/12/05/52/1038120552.db2.gz UWYXFQVUWVNAKV-OLZOCXBDSA-N 1 3 333.273 4.320 20 0 EIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(OC(F)(F)F)c1 ZINC000423386632 1038192536 /nfs/dbraw/zinc/19/25/36/1038192536.db2.gz MCPFWOCNZVWMGH-LBPRGKRZSA-N 1 3 336.357 4.039 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(SCC(F)F)cc1 ZINC000423395183 1038203075 /nfs/dbraw/zinc/20/30/75/1038203075.db2.gz RUCWGOWXVUXIEG-CYBMUJFWSA-N 1 3 348.462 4.498 20 0 EIADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423467459 1038244675 /nfs/dbraw/zinc/24/46/75/1038244675.db2.gz IYTMEFHQWWHVNF-XEYPJELSSA-N 1 3 336.470 4.027 20 0 EIADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423478950 1038250501 /nfs/dbraw/zinc/25/05/01/1038250501.db2.gz UYKHXSSPDUXXCQ-ZIAGYGMSSA-N 1 3 335.904 4.168 20 0 EIADHO COC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423499394 1038254934 /nfs/dbraw/zinc/25/49/34/1038254934.db2.gz AVHGZUQEQWDIAM-MOPGFXCFSA-N 1 3 332.875 4.097 20 0 EIADHO C[NH+](C)CCCCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000490143892 1038356279 /nfs/dbraw/zinc/35/62/79/1038356279.db2.gz NONLBDXOAMZASC-IBGZPJMESA-N 1 3 334.866 4.500 20 0 EIADHO C[C@@H](CC[NH2+][C@@H](Cc1ccncc1)c1cccs1)N1CCCCC1 ZINC000424279986 1038790740 /nfs/dbraw/zinc/79/07/40/1038790740.db2.gz LDFMJCRJYHBWOY-HKUYNNGSSA-N 1 3 343.540 4.281 20 0 EIADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539058429 1038805093 /nfs/dbraw/zinc/80/50/93/1038805093.db2.gz JONIJNGJMLMQFX-BHDDXSALSA-N 1 3 344.543 4.058 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1Cl ZINC000539072156 1038821771 /nfs/dbraw/zinc/82/17/71/1038821771.db2.gz VEDDCVFJGJBYBI-RBSFLKMASA-N 1 3 342.886 4.019 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000539072301 1038822576 /nfs/dbraw/zinc/82/25/76/1038822576.db2.gz PJLGDIXAFNPVBJ-RBSFLKMASA-N 1 3 342.886 4.019 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424377215 1038837452 /nfs/dbraw/zinc/83/74/52/1038837452.db2.gz QQHGIWILRYIAQF-IUIKQTSFSA-N 1 3 333.476 4.178 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000504906337 1038846558 /nfs/dbraw/zinc/84/65/58/1038846558.db2.gz WVCDQJSVIWMDGP-FTEYMNFISA-N 1 3 330.516 4.022 20 0 EIADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C2CCCCC2)cc1 ZINC000481177801 1039079731 /nfs/dbraw/zinc/07/97/31/1039079731.db2.gz VFWKOPQCCVRFLF-SFHVURJKSA-N 1 3 344.543 4.232 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000120448211 1039112937 /nfs/dbraw/zinc/11/29/37/1039112937.db2.gz SKYIQRDBUVPWBA-MRXNPFEDSA-N 1 3 340.467 4.108 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225191 1039276601 /nfs/dbraw/zinc/27/66/01/1039276601.db2.gz CZWYUINCNLGCEM-MJGOQNOKSA-N 1 3 332.536 4.275 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225191 1039276624 /nfs/dbraw/zinc/27/66/24/1039276624.db2.gz CZWYUINCNLGCEM-MJGOQNOKSA-N 1 3 332.536 4.275 20 0 EIADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414838494 1039299163 /nfs/dbraw/zinc/29/91/63/1039299163.db2.gz WXEAYVXAWKNOMX-LSVZVQIISA-N 1 3 327.299 4.187 20 0 EIADHO CSCc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550795723 1039302252 /nfs/dbraw/zinc/30/22/52/1039302252.db2.gz XBCGODVDJSZLJG-NHCUHLMSSA-N 1 3 340.536 4.475 20 0 EIADHO CSCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550795723 1039302271 /nfs/dbraw/zinc/30/22/71/1039302271.db2.gz XBCGODVDJSZLJG-NHCUHLMSSA-N 1 3 340.536 4.475 20 0 EIADHO CCc1ccc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000122403687 1039703277 /nfs/dbraw/zinc/70/32/77/1039703277.db2.gz YUJMMDVGSLRQSQ-OAHLLOKOSA-N 1 3 332.513 4.102 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000281088737 1039800861 /nfs/dbraw/zinc/80/08/61/1039800861.db2.gz AGCFFFBCBCPGFW-FQEVSTJZSA-N 1 3 342.458 4.063 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000281088737 1039800865 /nfs/dbraw/zinc/80/08/65/1039800865.db2.gz AGCFFFBCBCPGFW-FQEVSTJZSA-N 1 3 342.458 4.063 20 0 EIADHO Clc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)s2)cc1 ZINC000551225985 1040081822 /nfs/dbraw/zinc/08/18/22/1040081822.db2.gz YLYMHFIJBJTBRQ-ZDUSSCGKSA-N 1 3 347.915 4.037 20 0 EIADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000514812799 1040263795 /nfs/dbraw/zinc/26/37/95/1040263795.db2.gz UEQQHFQKQQGNJF-XBNGYDHASA-N 1 3 340.433 4.430 20 0 EIADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C\c2cccc(C(F)(F)F)c2)C1 ZINC000514812799 1040263809 /nfs/dbraw/zinc/26/38/09/1040263809.db2.gz UEQQHFQKQQGNJF-XBNGYDHASA-N 1 3 340.433 4.430 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461736 1040366748 /nfs/dbraw/zinc/36/67/48/1040366748.db2.gz DLJDMMGEBSUECV-UGKGYDQZSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461736 1040366762 /nfs/dbraw/zinc/36/67/62/1040366762.db2.gz DLJDMMGEBSUECV-UGKGYDQZSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479466320 1040390471 /nfs/dbraw/zinc/39/04/71/1040390471.db2.gz RNJJXZYXLKYOIR-NRJQMVOHSA-N 1 3 338.470 4.171 20 0 EIADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479466320 1040390476 /nfs/dbraw/zinc/39/04/76/1040390476.db2.gz RNJJXZYXLKYOIR-NRJQMVOHSA-N 1 3 338.470 4.171 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000479468653 1040392804 /nfs/dbraw/zinc/39/28/04/1040392804.db2.gz ZFMWULRPQZTNRE-HOCLYGCPSA-N 1 3 348.412 4.277 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2C)[C@@H](C)C1 ZINC000483124216 1040719726 /nfs/dbraw/zinc/71/97/26/1040719726.db2.gz GJCOTELRKQFGFP-DSKINZAPSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(C)c2C)[C@@H](C)C1 ZINC000483124216 1040719757 /nfs/dbraw/zinc/71/97/57/1040719757.db2.gz GJCOTELRKQFGFP-DSKINZAPSA-N 1 3 332.532 4.091 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000462666708 1040829682 /nfs/dbraw/zinc/82/96/82/1040829682.db2.gz XCDCWGAIHOAFOG-UHFFFAOYSA-N 1 3 338.495 4.328 20 0 EIADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000537968844 1040972220 /nfs/dbraw/zinc/97/22/20/1040972220.db2.gz ZOBLZEISBXJOGS-NRFANRHFSA-N 1 3 338.495 4.313 20 0 EIADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000537968844 1040972245 /nfs/dbraw/zinc/97/22/45/1040972245.db2.gz ZOBLZEISBXJOGS-NRFANRHFSA-N 1 3 338.495 4.313 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000480160684 1041018039 /nfs/dbraw/zinc/01/80/39/1041018039.db2.gz PJRZWWHRYKWHMH-CQSZACIVSA-N 1 3 346.462 4.478 20 0 EIADHO COc1cc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)ccc1SC ZINC000480174242 1041035683 /nfs/dbraw/zinc/03/56/83/1041035683.db2.gz SFRSPBQZQRHDPX-MRXNPFEDSA-N 1 3 336.545 4.190 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000538103098 1041058408 /nfs/dbraw/zinc/05/84/08/1041058408.db2.gz UCVDGXKNAXNMFA-NFBKMPQASA-N 1 3 334.507 4.292 20 0 EIADHO CCCC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000540158067 1041183105 /nfs/dbraw/zinc/18/31/05/1041183105.db2.gz SPLAHUJQBZULJV-BDTNDASRSA-N 1 3 344.543 4.275 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000484280778 1041183912 /nfs/dbraw/zinc/18/39/12/1041183912.db2.gz TXDAZEMWWUPJOA-GXTWGEPZSA-N 1 3 333.303 4.001 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000538259733 1041219531 /nfs/dbraw/zinc/21/95/31/1041219531.db2.gz NEMQVUHNXZRIPY-PXNSSMCTSA-N 1 3 338.495 4.497 20 0 EIADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccc(O)c1 ZINC000194839349 1041228060 /nfs/dbraw/zinc/22/80/60/1041228060.db2.gz VXGOHABCKGKHRE-SFHVURJKSA-N 1 3 338.495 4.475 20 0 EIADHO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCC[C@@H](N(C)C)C3)ccc2c1 ZINC000484471722 1041248896 /nfs/dbraw/zinc/24/88/96/1041248896.db2.gz ILZUVRGOJICWPD-RYGJVYDSSA-N 1 3 326.484 4.372 20 0 EIADHO c1ccc(C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C2CC2)cc1 ZINC000484490417 1041263765 /nfs/dbraw/zinc/26/37/65/1041263765.db2.gz QEIATDOXEMDNHX-JOCHJYFZSA-N 1 3 326.528 4.394 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccc12 ZINC000484496512 1041304521 /nfs/dbraw/zinc/30/45/21/1041304521.db2.gz RMDHTRPAXXILHP-YESZJQIVSA-N 1 3 326.484 4.372 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c2ccccc12 ZINC000484496512 1041304529 /nfs/dbraw/zinc/30/45/29/1041304529.db2.gz RMDHTRPAXXILHP-YESZJQIVSA-N 1 3 326.484 4.372 20 0 EIADHO Fc1cccc(C2(NC3CC[NH+](CC4CC4)CC3)CCCCC2)c1 ZINC001168363077 1041338875 /nfs/dbraw/zinc/33/88/75/1041338875.db2.gz SFIIINKVUCTFRW-UHFFFAOYSA-N 1 3 330.491 4.449 20 0 EIADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000554722032 1041364339 /nfs/dbraw/zinc/36/43/39/1041364339.db2.gz DJVVFMKVCLMZRO-IXDOHACOSA-N 1 3 340.433 4.075 20 0 EIADHO CC(C)C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCO1 ZINC000538579547 1041431050 /nfs/dbraw/zinc/43/10/50/1041431050.db2.gz XACSQFSAXHDBFI-AYWYSENESA-N 1 3 336.564 4.213 20 0 EIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NC3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668080 1041460770 /nfs/dbraw/zinc/46/07/70/1041460770.db2.gz VDHWVBLGLJIIEX-RXVVDRJESA-N 1 3 326.528 4.394 20 0 EIADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3(Cc4ccccc4)CC3)CC2)C1 ZINC000480668080 1041460775 /nfs/dbraw/zinc/46/07/75/1041460775.db2.gz VDHWVBLGLJIIEX-RXVVDRJESA-N 1 3 326.528 4.394 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000480732570 1041496660 /nfs/dbraw/zinc/49/66/60/1041496660.db2.gz SOZSITHMHXIRFA-PMXSJFBMSA-N 1 3 336.564 4.213 20 0 EIADHO C[C@H](C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1)CN(C)C ZINC000425935967 1041980649 /nfs/dbraw/zinc/98/06/49/1041980649.db2.gz KJRPJGDNHSLIEN-CHWSQXEVSA-N 1 3 334.451 4.189 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000541603542 1042038936 /nfs/dbraw/zinc/03/89/36/1042038936.db2.gz WICIHGNPRGVDDH-WFXMLNOXSA-N 1 3 326.528 4.034 20 0 EIADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000541908759 1042165306 /nfs/dbraw/zinc/16/53/06/1042165306.db2.gz NXOMZCBKWHEMJA-AWEZNQCLSA-N 1 3 334.916 4.452 20 0 EIADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000541908759 1042165309 /nfs/dbraw/zinc/16/53/09/1042165309.db2.gz NXOMZCBKWHEMJA-AWEZNQCLSA-N 1 3 334.916 4.452 20 0 EIADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000541909515 1042166904 /nfs/dbraw/zinc/16/69/04/1042166904.db2.gz ZBRIOAJLPPVCRQ-AWEZNQCLSA-N 1 3 334.916 4.452 20 0 EIADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000541909515 1042166909 /nfs/dbraw/zinc/16/69/09/1042166909.db2.gz ZBRIOAJLPPVCRQ-AWEZNQCLSA-N 1 3 334.916 4.452 20 0 EIADHO CCN(C)C[C@H]1CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000464792245 1042169875 /nfs/dbraw/zinc/16/98/75/1042169875.db2.gz WCRXDXGUHJTXFC-OAHLLOKOSA-N 1 3 326.937 4.096 20 0 EIADHO CCN(C)C[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000464792245 1042169877 /nfs/dbraw/zinc/16/98/77/1042169877.db2.gz WCRXDXGUHJTXFC-OAHLLOKOSA-N 1 3 326.937 4.096 20 0 EIADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464843660 1042192786 /nfs/dbraw/zinc/19/27/86/1042192786.db2.gz XJVNPTYLVZGIGO-IBGZPJMESA-N 1 3 328.887 4.294 20 0 EIADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464843660 1042192789 /nfs/dbraw/zinc/19/27/89/1042192789.db2.gz XJVNPTYLVZGIGO-IBGZPJMESA-N 1 3 328.887 4.294 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000542176931 1042327950 /nfs/dbraw/zinc/32/79/50/1042327950.db2.gz LQQANHKJJCFSJT-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccncc1 ZINC000173927456 1042630579 /nfs/dbraw/zinc/63/05/79/1042630579.db2.gz HHOBQLUNJLYZFJ-QRVBRYPASA-N 1 3 337.511 4.410 20 0 EIADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000518765608 1042674480 /nfs/dbraw/zinc/67/44/80/1042674480.db2.gz QCKCQNXWVRMDBT-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000518765608 1042674493 /nfs/dbraw/zinc/67/44/93/1042674493.db2.gz QCKCQNXWVRMDBT-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000518765608 1042674507 /nfs/dbraw/zinc/67/45/07/1042674507.db2.gz QCKCQNXWVRMDBT-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000518765608 1042674516 /nfs/dbraw/zinc/67/45/16/1042674516.db2.gz QCKCQNXWVRMDBT-KRWDZBQOSA-N 1 3 348.494 4.227 20 0 EIADHO CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309707877 1042818813 /nfs/dbraw/zinc/81/88/13/1042818813.db2.gz IMPNKUCFLQEITC-FUHWJXTLSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309707877 1042818819 /nfs/dbraw/zinc/81/88/19/1042818819.db2.gz IMPNKUCFLQEITC-FUHWJXTLSA-N 1 3 328.525 4.311 20 0 EIADHO CCc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309707877 1042818821 /nfs/dbraw/zinc/81/88/21/1042818821.db2.gz IMPNKUCFLQEITC-FUHWJXTLSA-N 1 3 328.525 4.311 20 0 EIADHO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309875646 1042823340 /nfs/dbraw/zinc/82/33/40/1042823340.db2.gz SYKBHBQASWVKIU-LPHOPBHVSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591415 1042840855 /nfs/dbraw/zinc/84/08/55/1042840855.db2.gz OPYBISDIEXOZAY-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591415 1042840860 /nfs/dbraw/zinc/84/08/60/1042840860.db2.gz OPYBISDIEXOZAY-WFXMLNOXSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2cccnc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311609393 1042862700 /nfs/dbraw/zinc/86/27/00/1042862700.db2.gz DZEDYWIJGNPCND-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO CCc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309862456 1043086336 /nfs/dbraw/zinc/08/63/36/1043086336.db2.gz DOIGIMJMPNFNCI-SFHVURJKSA-N 1 3 328.525 4.312 20 0 EIADHO CCc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309862456 1043086347 /nfs/dbraw/zinc/08/63/47/1043086347.db2.gz DOIGIMJMPNFNCI-SFHVURJKSA-N 1 3 328.525 4.312 20 0 EIADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000186320931 1043268092 /nfs/dbraw/zinc/26/80/92/1043268092.db2.gz HEWLSXITCBHJEJ-AVRDEDQJSA-N 1 3 343.559 4.065 20 0 EIADHO C[C@H]1CC(Nc2cccc(F)c2CN)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011591 1043335511 /nfs/dbraw/zinc/33/55/11/1043335511.db2.gz PTVVMFCREJZXFP-HOTGVXAUSA-N 1 3 341.474 4.138 20 0 EIADHO Cc1c([C@H](C)[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cnn1C(C)C ZINC000191325088 1043808958 /nfs/dbraw/zinc/80/89/58/1043808958.db2.gz OOSJFIPDGVCXJN-MSOLQXFVSA-N 1 3 342.531 4.334 20 0 EIADHO CCC[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000675815273 1044515698 /nfs/dbraw/zinc/51/56/98/1044515698.db2.gz AOJGPKRKCJBZFQ-DYESRHJHSA-N 1 3 341.499 4.214 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001168476306 1044626868 /nfs/dbraw/zinc/62/68/68/1044626868.db2.gz SUHQPJAXWBOSHS-ROUUACIJSA-N 1 3 330.491 4.167 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001168476306 1044626882 /nfs/dbraw/zinc/62/68/82/1044626882.db2.gz SUHQPJAXWBOSHS-ROUUACIJSA-N 1 3 330.491 4.167 20 0 EIADHO COc1ccc2nc(CNCCCC[N@@H+]3CCCC[C@H]3C)sc2c1 ZINC000474346091 1044872264 /nfs/dbraw/zinc/87/22/64/1044872264.db2.gz CLGDAFMYVCVCMB-OAHLLOKOSA-N 1 3 347.528 4.049 20 0 EIADHO COc1ccc2nc(CNCCCC[N@H+]3CCCC[C@H]3C)sc2c1 ZINC000474346091 1044872267 /nfs/dbraw/zinc/87/22/67/1044872267.db2.gz CLGDAFMYVCVCMB-OAHLLOKOSA-N 1 3 347.528 4.049 20 0 EIADHO c1ccc2ncc(CCNC3CC[NH+](C4CCCCC4)CC3)cc2c1 ZINC000922703135 1044892645 /nfs/dbraw/zinc/89/26/45/1044892645.db2.gz HVJVNUQPMGJJPH-UHFFFAOYSA-N 1 3 337.511 4.164 20 0 EIADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166464013 1044976294 /nfs/dbraw/zinc/97/62/94/1044976294.db2.gz RPAJFLJHLSUMIE-DLBZAZTESA-N 1 3 340.433 4.199 20 0 EIADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166464013 1044976305 /nfs/dbraw/zinc/97/63/05/1044976305.db2.gz RPAJFLJHLSUMIE-DLBZAZTESA-N 1 3 340.433 4.199 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000347913510 1044999553 /nfs/dbraw/zinc/99/95/53/1044999553.db2.gz AEMWYYDXMLOGKU-MSOLQXFVSA-N 1 3 340.515 4.096 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000347913510 1044999568 /nfs/dbraw/zinc/99/95/68/1044999568.db2.gz AEMWYYDXMLOGKU-MSOLQXFVSA-N 1 3 340.515 4.096 20 0 EIADHO CC[NH+]1CCC(N[C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429367101 1045023502 /nfs/dbraw/zinc/02/35/02/1045023502.db2.gz AQXULPYJTBGBDZ-OAQYLSRUSA-N 1 3 326.459 4.183 20 0 EIADHO Cc1nc([C@H](C)N2CC[C@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000923480066 1045132079 /nfs/dbraw/zinc/13/20/79/1045132079.db2.gz DULRNROEFBNKEI-KBPBESRZSA-N 1 3 333.863 4.035 20 0 EIADHO CCC[NH+]1CCC(N[C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000161622181 1046012467 /nfs/dbraw/zinc/01/24/67/1046012467.db2.gz AGSKNECYPUYYIX-GJZGRUSLSA-N 1 3 331.529 4.252 20 0 EIADHO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508703114 1046345046 /nfs/dbraw/zinc/34/50/46/1046345046.db2.gz XMVHZEKSVQPQNV-PKOBYXMFSA-N 1 3 338.470 4.315 20 0 EIADHO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508703108 1046345619 /nfs/dbraw/zinc/34/56/19/1046345619.db2.gz XMVHZEKSVQPQNV-HKUYNNGSSA-N 1 3 338.470 4.315 20 0 EIADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OCC ZINC000125985333 1046407420 /nfs/dbraw/zinc/40/74/20/1046407420.db2.gz VVTYGTIODRYDLR-ROUUACIJSA-N 1 3 348.531 4.255 20 0 EIADHO C[NH+]1C(C)(C)CC(Nc2cc(CN3CCCCC3)ccn2)CC1(C)C ZINC001170452508 1046523323 /nfs/dbraw/zinc/52/33/23/1046523323.db2.gz AGCHZUKZPKOIPI-UHFFFAOYSA-N 1 3 344.547 4.131 20 0 EIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536860646 1046828384 /nfs/dbraw/zinc/82/83/84/1046828384.db2.gz ZWJDLMMTJZEWTK-BQFCYCMXSA-N 1 3 344.499 4.281 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788538617 1047217002 /nfs/dbraw/zinc/21/70/02/1047217002.db2.gz HZVLETKVVVJAOJ-INMHGKMJSA-N 1 3 335.923 4.070 20 0 EIADHO c1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000129754995 1047500824 /nfs/dbraw/zinc/50/08/24/1047500824.db2.gz ZVDGAYLDCXNRIA-XLIONFOSSA-N 1 3 340.511 4.287 20 0 EIADHO C[C@H](N[C@@H](c1ccncc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898322421 1047614249 /nfs/dbraw/zinc/61/42/49/1047614249.db2.gz KZRGPLZIMLCPAU-BULFRSBZSA-N 1 3 335.495 4.033 20 0 EIADHO C[C@H](N[C@@H](c1ccncc1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898322421 1047614265 /nfs/dbraw/zinc/61/42/65/1047614265.db2.gz KZRGPLZIMLCPAU-BULFRSBZSA-N 1 3 335.495 4.033 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000550629447 1047782394 /nfs/dbraw/zinc/78/23/94/1047782394.db2.gz QVJGVMBURCECDX-KURKYZTESA-N 1 3 330.516 4.104 20 0 EIADHO CN(Cc1ccc2ccc(-c3ccccc3)nc2c1)C1CC[NH+](C)CC1 ZINC001136943362 1047968046 /nfs/dbraw/zinc/96/80/46/1047968046.db2.gz DMIGDXQEYVXLSQ-UHFFFAOYSA-N 1 3 345.490 4.428 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@H]3CC3(Cl)Cl)C2)s1 ZINC000844327414 1048285752 /nfs/dbraw/zinc/28/57/52/1048285752.db2.gz CIFRSXNLMBQUAK-UONOGXRCSA-N 1 3 347.355 4.004 20 0 EIADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@H]3CC3(Cl)Cl)C2)s1 ZINC000844327414 1048285760 /nfs/dbraw/zinc/28/57/60/1048285760.db2.gz CIFRSXNLMBQUAK-UONOGXRCSA-N 1 3 347.355 4.004 20 0 EIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171149488 1048482021 /nfs/dbraw/zinc/48/20/21/1048482021.db2.gz WOBJQIPDRAGXTI-ARFHVFGLSA-N 1 3 341.326 4.313 20 0 EIADHO Cc1cccc(-c2n[nH]cc2CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738172 1048510039 /nfs/dbraw/zinc/51/00/39/1048510039.db2.gz SHFBDUDNICXYPQ-UHFFFAOYSA-N 1 3 348.494 4.079 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000817912506 1049060014 /nfs/dbraw/zinc/06/00/14/1049060014.db2.gz VHKANXZUNWIEED-BZDYGPBWSA-N 1 3 334.463 4.080 20 0 EIADHO CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1OC(F)F ZINC000817949196 1049064834 /nfs/dbraw/zinc/06/48/34/1049064834.db2.gz NNUYNZZFIWRKTC-QGZVFWFLSA-N 1 3 334.410 4.030 20 0 EIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000817982284 1049077720 /nfs/dbraw/zinc/07/77/20/1049077720.db2.gz QWRZERFNXDURNX-DYESRHJHSA-N 1 3 334.467 4.003 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001170678389 1049502460 /nfs/dbraw/zinc/50/24/60/1049502460.db2.gz YHOGXBZUTLPUAX-SFHVURJKSA-N 1 3 348.481 4.209 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001170678389 1049502486 /nfs/dbraw/zinc/50/24/86/1049502486.db2.gz YHOGXBZUTLPUAX-SFHVURJKSA-N 1 3 348.481 4.209 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171352826 1049505754 /nfs/dbraw/zinc/50/57/54/1049505754.db2.gz BRRWRHQFBYFOGM-QGZVFWFLSA-N 1 3 336.470 4.065 20 0 EIADHO CCC(CC)[NH+]1CCC(N[C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171352826 1049505770 /nfs/dbraw/zinc/50/57/70/1049505770.db2.gz BRRWRHQFBYFOGM-QGZVFWFLSA-N 1 3 336.470 4.065 20 0 EIADHO Fc1cc(F)c2c(c1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001171353227 1049509074 /nfs/dbraw/zinc/50/90/74/1049509074.db2.gz FOJVKMLDZUMMSZ-GOSISDBHSA-N 1 3 348.481 4.209 20 0 EIADHO Fc1cc(F)c2c(c1)C[C@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC001171353227 1049509089 /nfs/dbraw/zinc/50/90/89/1049509089.db2.gz FOJVKMLDZUMMSZ-GOSISDBHSA-N 1 3 348.481 4.209 20 0 EIADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001170968940 1049665850 /nfs/dbraw/zinc/66/58/50/1049665850.db2.gz FPTIVIDAWIOIMU-GOSISDBHSA-N 1 3 330.491 4.070 20 0 EIADHO Fc1cccc2c1C[C@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC001170968940 1049665866 /nfs/dbraw/zinc/66/58/66/1049665866.db2.gz FPTIVIDAWIOIMU-GOSISDBHSA-N 1 3 330.491 4.070 20 0 EIADHO FC1(F)CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716629316 1049702059 /nfs/dbraw/zinc/70/20/59/1049702059.db2.gz YFYJBWDGYJSGDB-RDGPPVDQSA-N 1 3 334.454 4.207 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001170701564 1049736592 /nfs/dbraw/zinc/73/65/92/1049736592.db2.gz PQEJIBXULGSKRW-RTBURBONSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001170701564 1049736599 /nfs/dbraw/zinc/73/65/99/1049736599.db2.gz PQEJIBXULGSKRW-RTBURBONSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001170701562 1049737201 /nfs/dbraw/zinc/73/72/01/1049737201.db2.gz PQEJIBXULGSKRW-OALUTQOASA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001170701562 1049737204 /nfs/dbraw/zinc/73/72/04/1049737204.db2.gz PQEJIBXULGSKRW-OALUTQOASA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001170701561 1049737631 /nfs/dbraw/zinc/73/76/31/1049737631.db2.gz PQEJIBXULGSKRW-MOPGFXCFSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc(F)c2c(c1)CC[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001170701561 1049737636 /nfs/dbraw/zinc/73/76/36/1049737636.db2.gz PQEJIBXULGSKRW-MOPGFXCFSA-N 1 3 348.481 4.163 20 0 EIADHO COc1cccc(CC2([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCC2)c1 ZINC001171630592 1049761370 /nfs/dbraw/zinc/76/13/70/1049761370.db2.gz QTYMGRUOHUGKFQ-UHFFFAOYSA-N 1 3 344.543 4.401 20 0 EIADHO C[NH+]1C(C)(C)CC(NCCc2ccccc2C(F)(F)F)CC1(C)C ZINC001171624278 1049768601 /nfs/dbraw/zinc/76/86/01/1049768601.db2.gz NOYBRJFLEUHUAA-UHFFFAOYSA-N 1 3 342.449 4.489 20 0 EIADHO COc1ccc(C2([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CCC2)cc1 ZINC001171627376 1049769529 /nfs/dbraw/zinc/76/95/29/1049769529.db2.gz RIZPXPYWWAPMMT-UHFFFAOYSA-N 1 3 330.516 4.315 20 0 EIADHO COc1ccc2c(c1)C[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)CCC2 ZINC001171641683 1049778525 /nfs/dbraw/zinc/77/85/25/1049778525.db2.gz SZBRQGPZPFDDJM-UHFFFAOYSA-N 1 3 330.516 4.095 20 0 EIADHO COc1ccc2c(c1)C[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)CCC2 ZINC001171641683 1049778533 /nfs/dbraw/zinc/77/85/33/1049778533.db2.gz SZBRQGPZPFDDJM-UHFFFAOYSA-N 1 3 330.516 4.095 20 0 EIADHO C[C@@H](c1ccccc1)N1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171639229 1049779631 /nfs/dbraw/zinc/77/96/31/1049779631.db2.gz AEHFPOUTWHWTAK-SFHVURJKSA-N 1 3 343.559 4.017 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1(C)C ZINC001171637863 1049779719 /nfs/dbraw/zinc/77/97/19/1049779719.db2.gz QLHDQTYTWOSXHY-UHFFFAOYSA-N 1 3 348.506 4.320 20 0 EIADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3cccc(F)c3)CC2)CC1(C)C ZINC001171637863 1049779728 /nfs/dbraw/zinc/77/97/28/1049779728.db2.gz QLHDQTYTWOSXHY-UHFFFAOYSA-N 1 3 348.506 4.320 20 0 EIADHO Cc1cccc(OC2CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)c1 ZINC001171642258 1049779994 /nfs/dbraw/zinc/77/99/94/1049779994.db2.gz IBKBFPRWCWEHSB-UHFFFAOYSA-N 1 3 344.543 4.490 20 0 EIADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001171966607 1049828341 /nfs/dbraw/zinc/82/83/41/1049828341.db2.gz WNWPVDUTYYFGRT-XOKHGSTOSA-N 1 3 328.422 4.099 20 0 EIADHO CC1(C)C[C@@H]([NH2+]Cc2cncc(Cl)c2)CCN1Cc1ccccc1 ZINC001171974217 1049835888 /nfs/dbraw/zinc/83/58/88/1049835888.db2.gz DWCHIYSJTBPXCQ-IBGZPJMESA-N 1 3 343.902 4.268 20 0 EIADHO CC1(C)C[C@@H](n2nc(CN)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171973399 1049835913 /nfs/dbraw/zinc/83/59/13/1049835913.db2.gz YMRCMNORKMWCGW-SFHVURJKSA-N 1 3 348.494 4.111 20 0 EIADHO CC1(C)C[C@@H](n2nc(CN)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171973399 1049835915 /nfs/dbraw/zinc/83/59/15/1049835915.db2.gz YMRCMNORKMWCGW-SFHVURJKSA-N 1 3 348.494 4.111 20 0 EIADHO C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171977190 1049837812 /nfs/dbraw/zinc/83/78/12/1049837812.db2.gz YCKPOFSKWIREJF-DYESRHJHSA-N 1 3 337.511 4.363 20 0 EIADHO C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171977190 1049837816 /nfs/dbraw/zinc/83/78/16/1049837816.db2.gz YCKPOFSKWIREJF-DYESRHJHSA-N 1 3 337.511 4.363 20 0 EIADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982471 1049838518 /nfs/dbraw/zinc/83/85/18/1049838518.db2.gz IWZYHZHKJYLVAZ-QUCCMNQESA-N 1 3 337.511 4.484 20 0 EIADHO CCCC[NH+]1CCC(N(C)[C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170717254 1049839014 /nfs/dbraw/zinc/83/90/14/1049839014.db2.gz URWWURVVBLBJFN-GOSISDBHSA-N 1 3 336.470 4.018 20 0 EIADHO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001172062340 1049850138 /nfs/dbraw/zinc/85/01/38/1049850138.db2.gz NELUWNOIFSTXJW-ZIBCJSCZSA-N 1 3 335.495 4.318 20 0 EIADHO Cc1ncccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172062005 1049850352 /nfs/dbraw/zinc/85/03/52/1049850352.db2.gz KQSLYPZDXVNEIY-KOUNCHBCSA-N 1 3 335.495 4.065 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccc(Br)cc31)C2 ZINC001172100725 1049850486 /nfs/dbraw/zinc/85/04/86/1049850486.db2.gz SAJLWFITLYEEDK-DFGXFYAUSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccc(Br)cc31)C2 ZINC001172100725 1049850489 /nfs/dbraw/zinc/85/04/89/1049850489.db2.gz SAJLWFITLYEEDK-DFGXFYAUSA-N 1 3 349.316 4.041 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1C(F)(F)F ZINC001172109210 1049856975 /nfs/dbraw/zinc/85/69/75/1049856975.db2.gz IFDAJTRZXYREGR-ZQDZILKHSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1C(F)(F)F ZINC001172109210 1049856978 /nfs/dbraw/zinc/85/69/78/1049856978.db2.gz IFDAJTRZXYREGR-ZQDZILKHSA-N 1 3 326.406 4.371 20 0 EIADHO c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC001172558561 1049932506 /nfs/dbraw/zinc/93/25/06/1049932506.db2.gz VLGVPSAGBYHZPB-DHIUTWEWSA-N 1 3 349.522 4.220 20 0 EIADHO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001172717919 1049965076 /nfs/dbraw/zinc/96/50/76/1049965076.db2.gz UKWKRDSFVGELST-FQEVSTJZSA-N 1 3 332.919 4.051 20 0 EIADHO Clc1ccc2c(c1)C[C@@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172717919 1049965080 /nfs/dbraw/zinc/96/50/80/1049965080.db2.gz UKWKRDSFVGELST-FQEVSTJZSA-N 1 3 332.919 4.051 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000246936249 1050006671 /nfs/dbraw/zinc/00/66/71/1050006671.db2.gz GSXYETNNPACWMO-QKPAOTATSA-N 1 3 331.529 4.251 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246936249 1050006677 /nfs/dbraw/zinc/00/66/77/1050006677.db2.gz GSXYETNNPACWMO-QKPAOTATSA-N 1 3 331.529 4.251 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000246968541 1050007426 /nfs/dbraw/zinc/00/74/26/1050007426.db2.gz JGIVLSNKGKSIEI-YESZJQIVSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000246968541 1050007430 /nfs/dbraw/zinc/00/74/30/1050007430.db2.gz JGIVLSNKGKSIEI-YESZJQIVSA-N 1 3 345.556 4.498 20 0 EIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000246968541 1050007436 /nfs/dbraw/zinc/00/74/36/1050007436.db2.gz JGIVLSNKGKSIEI-YESZJQIVSA-N 1 3 345.556 4.498 20 0 EIADHO CSCCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248575701 1050066025 /nfs/dbraw/zinc/06/60/25/1050066025.db2.gz SZBDANACFHFKGN-XUVXKRRUSA-N 1 3 332.557 4.020 20 0 EIADHO CCCN1C[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172825532 1050165760 /nfs/dbraw/zinc/16/57/60/1050165760.db2.gz WXAKQMCGQOLUEA-KJMNDRGOSA-N 1 3 326.528 4.062 20 0 EIADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001172825532 1050165771 /nfs/dbraw/zinc/16/57/71/1050165771.db2.gz WXAKQMCGQOLUEA-KJMNDRGOSA-N 1 3 326.528 4.062 20 0 EIADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)CC2 ZINC001172840134 1050180276 /nfs/dbraw/zinc/18/02/76/1050180276.db2.gz ZRTDEOJAJVJMON-CVDCTZTESA-N 1 3 338.539 4.263 20 0 EIADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172851999 1050190842 /nfs/dbraw/zinc/19/08/42/1050190842.db2.gz MWDOSMKMWVKZIY-AWEZNQCLSA-N 1 3 338.898 4.407 20 0 EIADHO C[C@@H](Cc1c(F)cccc1Cl)NC1CC[NH+](C2CCCC2)CC1 ZINC001172851999 1050190855 /nfs/dbraw/zinc/19/08/55/1050190855.db2.gz MWDOSMKMWVKZIY-AWEZNQCLSA-N 1 3 338.898 4.407 20 0 EIADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC001172862997 1050200898 /nfs/dbraw/zinc/20/08/98/1050200898.db2.gz KQZIERFTYVIPSJ-HNNXBMFYSA-N 1 3 326.887 4.122 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC001172877653 1050218241 /nfs/dbraw/zinc/21/82/41/1050218241.db2.gz GPSITAQJDKMDFX-CQSZACIVSA-N 1 3 338.948 4.285 20 0 EIADHO CC(C)[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000091312930 1050254442 /nfs/dbraw/zinc/25/44/42/1050254442.db2.gz UVJNQFJUVDAXLK-OAQYLSRUSA-N 1 3 326.484 4.114 20 0 EIADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173119254 1050314706 /nfs/dbraw/zinc/31/47/06/1050314706.db2.gz KLKWHFHGTLRYFA-OAQYLSRUSA-N 1 3 348.575 4.455 20 0 EIADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173119254 1050314718 /nfs/dbraw/zinc/31/47/18/1050314718.db2.gz KLKWHFHGTLRYFA-OAQYLSRUSA-N 1 3 348.575 4.455 20 0 EIADHO C(C1CCOCC1)N1CCC([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC001173118863 1050315888 /nfs/dbraw/zinc/31/58/88/1050315888.db2.gz SOBDSBQIQUJHNB-UHFFFAOYSA-N 1 3 348.575 4.360 20 0 EIADHO CCSC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001173295225 1050399411 /nfs/dbraw/zinc/39/94/11/1050399411.db2.gz KCGWLKLGTUOGOG-HNNXBMFYSA-N 1 3 340.964 4.283 20 0 EIADHO CC[C@@H]1CC[C@H]([NH+]2CCC3(CCCN3Cc3c(C)noc3C)CC2)C1 ZINC001173284381 1050410816 /nfs/dbraw/zinc/41/08/16/1050410816.db2.gz ZNLMFJFMJWUCDC-MOPGFXCFSA-N 1 3 345.531 4.301 20 0 EIADHO NC1(Cc2cccnc2)CC[NH+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173346174 1050436674 /nfs/dbraw/zinc/43/66/74/1050436674.db2.gz ZQKRCIQZRPUJPQ-HXUWFJFHSA-N 1 3 341.543 4.311 20 0 EIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685384 1050538772 /nfs/dbraw/zinc/53/87/72/1050538772.db2.gz RUYBEULXGYOPCW-QHCGNWPDSA-N 1 3 326.528 4.276 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H](C)c2cccnc2)ccc1OC ZINC000182226348 1050563750 /nfs/dbraw/zinc/56/37/50/1050563750.db2.gz OKJCBFHDFAZUBY-SJORKVTESA-N 1 3 341.499 4.344 20 0 EIADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H](C)c2cccnc2)ccc1OC ZINC000182226481 1050563899 /nfs/dbraw/zinc/56/38/99/1050563899.db2.gz OKJCBFHDFAZUBY-IAGOWNOFSA-N 1 3 341.499 4.344 20 0 EIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1nc2c(s1)CCCC2 ZINC000093398378 1050585930 /nfs/dbraw/zinc/58/59/30/1050585930.db2.gz JBPJBGZVYADQJU-MRXNPFEDSA-N 1 3 335.561 4.185 20 0 EIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1nc2c(s1)CCCC2 ZINC000093398377 1050587838 /nfs/dbraw/zinc/58/78/38/1050587838.db2.gz JBPJBGZVYADQJU-INIZCTEOSA-N 1 3 335.561 4.185 20 0 EIADHO CCCCCCOc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001179816792 1050786730 /nfs/dbraw/zinc/78/67/30/1050786730.db2.gz NTXGFHPXNHPHEP-CEWLAPEOSA-N 1 3 330.516 4.076 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CCc3ccccc32)C1 ZINC001180030504 1050859464 /nfs/dbraw/zinc/85/94/64/1050859464.db2.gz NRWHHXKGZPBBNS-SBHAEUEKSA-N 1 3 326.528 4.303 20 0 EIADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CCc3ccccc32)C1 ZINC001180030504 1050859471 /nfs/dbraw/zinc/85/94/71/1050859471.db2.gz NRWHHXKGZPBBNS-SBHAEUEKSA-N 1 3 326.528 4.303 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378987 1051171121 /nfs/dbraw/zinc/17/11/21/1051171121.db2.gz OTMRNVPXJFQJPN-GUYCJALGSA-N 1 3 340.483 4.310 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378987 1051171124 /nfs/dbraw/zinc/17/11/24/1051171124.db2.gz OTMRNVPXJFQJPN-GUYCJALGSA-N 1 3 340.483 4.310 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775378987 1051171129 /nfs/dbraw/zinc/17/11/29/1051171129.db2.gz OTMRNVPXJFQJPN-GUYCJALGSA-N 1 3 340.483 4.310 20 0 EIADHO C[C@H](CNC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276059 1051196356 /nfs/dbraw/zinc/19/63/56/1051196356.db2.gz IKTYXRWDARYOQY-FOIQADDNSA-N 1 3 336.470 4.455 20 0 EIADHO C[C@H](CNC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276059 1051196364 /nfs/dbraw/zinc/19/63/64/1051196364.db2.gz IKTYXRWDARYOQY-FOIQADDNSA-N 1 3 336.470 4.455 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)c(OC)c2)c1 ZINC000153596882 1051201793 /nfs/dbraw/zinc/20/17/93/1051201793.db2.gz YNECNRLQPPUNHT-HNNXBMFYSA-N 1 3 330.447 4.137 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)c(OC)c2)c1 ZINC000153596882 1051201801 /nfs/dbraw/zinc/20/18/01/1051201801.db2.gz YNECNRLQPPUNHT-HNNXBMFYSA-N 1 3 330.447 4.137 20 0 EIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C)cc1OC ZINC001181487003 1051246522 /nfs/dbraw/zinc/24/65/22/1051246522.db2.gz OMOCMJSEVBDGMV-UHFFFAOYSA-N 1 3 326.484 4.087 20 0 EIADHO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1)[C@H]1CCCO1 ZINC000775417828 1051292227 /nfs/dbraw/zinc/29/22/27/1051292227.db2.gz XNBJVSHTZQJSQQ-LKUPVBHCSA-N 1 3 348.531 4.145 20 0 EIADHO CCCCN(CCc1cccc(C)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983227 1051304554 /nfs/dbraw/zinc/30/45/54/1051304554.db2.gz FWXUTXMFEDFGMB-UHFFFAOYSA-N 1 3 331.548 4.344 20 0 EIADHO CCCC[N@H+](CCc1cccc(C)n1)C1CC(C)(C)NC(C)(C)C1 ZINC001174983227 1051304566 /nfs/dbraw/zinc/30/45/66/1051304566.db2.gz FWXUTXMFEDFGMB-UHFFFAOYSA-N 1 3 331.548 4.344 20 0 EIADHO CCCC[N@@H+](CCc1cccc(C)n1)C1CC(C)(C)NC(C)(C)C1 ZINC001174983227 1051304575 /nfs/dbraw/zinc/30/45/75/1051304575.db2.gz FWXUTXMFEDFGMB-UHFFFAOYSA-N 1 3 331.548 4.344 20 0 EIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)c(Cl)c1 ZINC001175062403 1051314605 /nfs/dbraw/zinc/31/46/05/1051314605.db2.gz PBOBRFBGYJSDFM-UHFFFAOYSA-N 1 3 346.902 4.432 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H](C)c2ccc[nH]2)ccc1OC ZINC000775425335 1051317375 /nfs/dbraw/zinc/31/73/75/1051317375.db2.gz XTDBTCFPNWNQAY-JKSUJKDBSA-N 1 3 329.488 4.277 20 0 EIADHO CC[NH+]1CCC(NCc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000620857488 1051373507 /nfs/dbraw/zinc/37/35/07/1051373507.db2.gz IAFPNOMFYSDVTP-UHFFFAOYSA-N 1 3 347.506 4.264 20 0 EIADHO CC1(N2CCC2)CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC001175669887 1051724162 /nfs/dbraw/zinc/72/41/62/1051724162.db2.gz VKVLRTGUFGIDCI-UHFFFAOYSA-N 1 3 338.495 4.169 20 0 EIADHO CCc1ccccc1CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001193095559 1051876744 /nfs/dbraw/zinc/87/67/44/1051876744.db2.gz YWBAEHCFDNRNQZ-OALUTQOASA-N 1 3 336.523 4.495 20 0 EIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H](CCc3ccccc3)Cc3ccccc3)[C@H]2C1 ZINC001184389486 1052002578 /nfs/dbraw/zinc/00/25/78/1052002578.db2.gz XKFWUXZHWNYIKD-KIHHCIJBSA-N 1 3 348.534 4.160 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000171131701 1052396668 /nfs/dbraw/zinc/39/66/68/1052396668.db2.gz IWZOVIXEPLRRPQ-SFHVURJKSA-N 1 3 330.472 4.214 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339068805 1052552455 /nfs/dbraw/zinc/55/24/55/1052552455.db2.gz QJXPYHUQLBFOPO-SFHLNBCPSA-N 1 3 330.516 4.008 20 0 EIADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385672 1052641813 /nfs/dbraw/zinc/64/18/13/1052641813.db2.gz XZRGTOWCEFICPH-RHSMWYFYSA-N 1 3 338.442 4.128 20 0 EIADHO C[N@H+]1CC[C@@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)CC1(C)C ZINC000623385672 1052641815 /nfs/dbraw/zinc/64/18/15/1052641815.db2.gz XZRGTOWCEFICPH-RHSMWYFYSA-N 1 3 338.442 4.128 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000177980024 1052696099 /nfs/dbraw/zinc/69/60/99/1052696099.db2.gz KGJXWVVDGOVGKK-MRXNPFEDSA-N 1 3 340.467 4.106 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000177980024 1052696106 /nfs/dbraw/zinc/69/61/06/1052696106.db2.gz KGJXWVVDGOVGKK-MRXNPFEDSA-N 1 3 340.467 4.106 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120224 1052867794 /nfs/dbraw/zinc/86/77/94/1052867794.db2.gz UPLSCUDDTUKNME-WMLDXEAASA-N 1 3 326.431 4.061 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000383365053 1053330324 /nfs/dbraw/zinc/33/03/24/1053330324.db2.gz UXUUVOAWPQDXLT-NQIIRXRSSA-N 1 3 326.459 4.389 20 0 EIADHO CSc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000383677406 1053374072 /nfs/dbraw/zinc/37/40/72/1053374072.db2.gz NSCKIMJFFTYGOC-PXNSSMCTSA-N 1 3 340.536 4.409 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F ZINC000765140796 1053453916 /nfs/dbraw/zinc/45/39/16/1053453916.db2.gz FMLUGRGDIWVZAG-ZDUSSCGKSA-N 1 3 326.406 4.230 20 0 EIADHO CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000385805305 1053551213 /nfs/dbraw/zinc/55/12/13/1053551213.db2.gz NHLNJVUOKPDENL-GHTZIAJQSA-N 1 3 338.495 4.086 20 0 EIADHO COc1ccc2c(NC[C@@H](c3ccsc3)N(C)C)cc[nH+]c2c1 ZINC000765465281 1053559583 /nfs/dbraw/zinc/55/95/83/1053559583.db2.gz QNHJGMBWWQDTLD-SFHVURJKSA-N 1 3 327.453 4.020 20 0 EIADHO C[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000853248800 1053660490 /nfs/dbraw/zinc/66/04/90/1053660490.db2.gz JYYNSFQWTKNIIT-DQLDELGASA-N 1 3 336.479 4.156 20 0 EIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@@H]2CCCCC2(F)F)CC1 ZINC001196934747 1053803936 /nfs/dbraw/zinc/80/39/36/1053803936.db2.gz CGTGAMPUFTWTLY-ZWKOTPCHSA-N 1 3 328.491 4.398 20 0 EIADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@@H]2CCCCC2(F)F)CC1 ZINC001196934747 1053803942 /nfs/dbraw/zinc/80/39/42/1053803942.db2.gz CGTGAMPUFTWTLY-ZWKOTPCHSA-N 1 3 328.491 4.398 20 0 EIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCCCC2(F)F)CC1 ZINC001196934746 1053804830 /nfs/dbraw/zinc/80/48/30/1053804830.db2.gz CGTGAMPUFTWTLY-ROUUACIJSA-N 1 3 328.491 4.398 20 0 EIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCCC2(F)F)CC1 ZINC001196934746 1053804835 /nfs/dbraw/zinc/80/48/35/1053804835.db2.gz CGTGAMPUFTWTLY-ROUUACIJSA-N 1 3 328.491 4.398 20 0 EIADHO CC(C)(C)N1CCC([NH2+]Cc2cn(C(F)F)c3ccccc23)CC1 ZINC000858537244 1054508986 /nfs/dbraw/zinc/50/89/86/1054508986.db2.gz SSNSPNQUVCWESP-UHFFFAOYSA-N 1 3 335.442 4.389 20 0 EIADHO C[NH+](C)Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC001201475569 1054829226 /nfs/dbraw/zinc/82/92/26/1054829226.db2.gz WJIGUKPSPOSJCG-PKTZIBPZSA-N 1 3 347.506 4.481 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000126736630 1055129366 /nfs/dbraw/zinc/12/93/66/1055129366.db2.gz FFHWWNDCXJYMBY-UHFFFAOYSA-N 1 3 348.494 4.002 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000126736630 1055129382 /nfs/dbraw/zinc/12/93/82/1055129382.db2.gz FFHWWNDCXJYMBY-UHFFFAOYSA-N 1 3 348.494 4.002 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000863547741 1055226193 /nfs/dbraw/zinc/22/61/93/1055226193.db2.gz RTPONCALGPQUEE-OKZBNKHCSA-N 1 3 347.453 4.437 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000863548088 1055228169 /nfs/dbraw/zinc/22/81/69/1055228169.db2.gz USDQNPYWSMIJRP-GVDBMIGSSA-N 1 3 333.426 4.047 20 0 EIADHO Clc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC000863546963 1055228240 /nfs/dbraw/zinc/22/82/40/1055228240.db2.gz IHQSPCNWBZKBSZ-DFQSSKMNSA-N 1 3 326.871 4.410 20 0 EIADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000127281825 1055376948 /nfs/dbraw/zinc/37/69/48/1055376948.db2.gz RKBZECUIZPKJOW-FQEVSTJZSA-N 1 3 334.548 4.113 20 0 EIADHO C[C@@H](Cc1ccccn1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000655834871 1055703872 /nfs/dbraw/zinc/70/38/72/1055703872.db2.gz SDAZVOQWCISRHT-KRWDZBQOSA-N 1 3 331.548 4.281 20 0 EIADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000475220693 1056296351 /nfs/dbraw/zinc/29/63/51/1056296351.db2.gz QJDCZERQKXQGRN-FHERZECASA-N 1 3 334.470 4.455 20 0 EIADHO S=c1ccn(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c2ccccc12 ZINC000742169643 1058528026 /nfs/dbraw/zinc/52/80/26/1058528026.db2.gz FHXFYZAWNQJYBT-KRWDZBQOSA-N 1 3 341.524 4.136 20 0 EIADHO S=c1ccn(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)c2ccccc12 ZINC000742169643 1058528041 /nfs/dbraw/zinc/52/80/41/1058528041.db2.gz FHXFYZAWNQJYBT-KRWDZBQOSA-N 1 3 341.524 4.136 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000760161694 1032484377 /nfs/dbraw/zinc/48/43/77/1032484377.db2.gz ZDVFOMBJNWWUQH-QWHCGFSZSA-N 1 3 344.330 4.347 20 0 EIADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000533200162 1032544283 /nfs/dbraw/zinc/54/42/83/1032544283.db2.gz MSLORNNIHLLARD-HOTGVXAUSA-N 1 3 338.561 4.025 20 0 EIADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)C1 ZINC000430150471 1018877225 /nfs/dbraw/zinc/87/72/25/1018877225.db2.gz SEKBTCFOVFCBIY-LJQANCHMSA-N 1 3 330.859 4.128 20 0 EIADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C2)C1 ZINC000430150471 1018877229 /nfs/dbraw/zinc/87/72/29/1018877229.db2.gz SEKBTCFOVFCBIY-LJQANCHMSA-N 1 3 330.859 4.128 20 0 EIADHO Cc1csc([C@H](C)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000274735594 1019086234 /nfs/dbraw/zinc/08/62/34/1019086234.db2.gz DAOHAAWPIFJESE-SZVBFZGTSA-N 1 3 343.540 4.055 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC000579893286 1020512261 /nfs/dbraw/zinc/51/22/61/1020512261.db2.gz ZQZYEQJLXQXAKP-XYPWUTKMSA-N 1 3 346.824 4.416 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC000579893286 1020512265 /nfs/dbraw/zinc/51/22/65/1020512265.db2.gz ZQZYEQJLXQXAKP-XYPWUTKMSA-N 1 3 346.824 4.416 20 0 EIADHO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccncc1F ZINC000340478323 1021098445 /nfs/dbraw/zinc/09/84/45/1021098445.db2.gz IXEKSDIOGODYNL-HOTGVXAUSA-N 1 3 327.447 4.097 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000340519547 1021188107 /nfs/dbraw/zinc/18/81/07/1021188107.db2.gz MPXVEPCQBHKTHE-OAQYLSRUSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000340519547 1021188113 /nfs/dbraw/zinc/18/81/13/1021188113.db2.gz MPXVEPCQBHKTHE-OAQYLSRUSA-N 1 3 338.495 4.400 20 0 EIADHO COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(C)C ZINC000892509665 1021310364 /nfs/dbraw/zinc/31/03/64/1021310364.db2.gz AEHSIOMRCUGANN-BPIHKTFHSA-N 1 3 346.515 4.006 20 0 EIADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000161645817 1021612933 /nfs/dbraw/zinc/61/29/33/1021612933.db2.gz OSSNUBVSBSKOHX-QGZVFWFLSA-N 1 3 347.572 4.077 20 0 EIADHO C(CN1CCCCC1)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000161645817 1021612947 /nfs/dbraw/zinc/61/29/47/1021612947.db2.gz OSSNUBVSBSKOHX-QGZVFWFLSA-N 1 3 347.572 4.077 20 0 EIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CCO2 ZINC000177728471 1021619087 /nfs/dbraw/zinc/61/90/87/1021619087.db2.gz HMSJIOFRSSIJQH-KRWDZBQOSA-N 1 3 336.479 4.068 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379632387 1021845613 /nfs/dbraw/zinc/84/56/13/1021845613.db2.gz SLGCWNOGMCOFDO-DYESRHJHSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379632387 1021845617 /nfs/dbraw/zinc/84/56/17/1021845617.db2.gz SLGCWNOGMCOFDO-DYESRHJHSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379632397 1021845984 /nfs/dbraw/zinc/84/59/84/1021845984.db2.gz SLGCWNOGMCOFDO-UWJYYQICSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379632397 1021845987 /nfs/dbraw/zinc/84/59/87/1021845987.db2.gz SLGCWNOGMCOFDO-UWJYYQICSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182581 1022055195 /nfs/dbraw/zinc/05/51/95/1022055195.db2.gz MWVJOXUYTMBSTE-ROUUACIJSA-N 1 3 339.483 4.256 20 0 EIADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182581 1022055213 /nfs/dbraw/zinc/05/52/13/1022055213.db2.gz MWVJOXUYTMBSTE-ROUUACIJSA-N 1 3 339.483 4.256 20 0 EIADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000171126291 1022073412 /nfs/dbraw/zinc/07/34/12/1022073412.db2.gz YOVYXWQNXUUGAF-HNNXBMFYSA-N 1 3 348.437 4.146 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000047973150 1022308977 /nfs/dbraw/zinc/30/89/77/1022308977.db2.gz SJWCEZLZHSHHAN-UHFFFAOYSA-N 1 3 345.462 4.035 20 0 EIADHO Cc1c(F)cccc1-c1ccc(CN2CCCC23CC[NH+](C)CC3)o1 ZINC000472597087 1022739780 /nfs/dbraw/zinc/73/97/80/1022739780.db2.gz JJOPIVZHKLJPRY-UHFFFAOYSA-N 1 3 342.458 4.454 20 0 EIADHO Cc1c(F)cccc1-c1ccc(C[N@H+]2CCCC23CCN(C)CC3)o1 ZINC000472597087 1022739798 /nfs/dbraw/zinc/73/97/98/1022739798.db2.gz JJOPIVZHKLJPRY-UHFFFAOYSA-N 1 3 342.458 4.454 20 0 EIADHO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)o1 ZINC000472597087 1022739806 /nfs/dbraw/zinc/73/98/06/1022739806.db2.gz JJOPIVZHKLJPRY-UHFFFAOYSA-N 1 3 342.458 4.454 20 0 EIADHO CCC[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccnc1 ZINC000363863294 1022866525 /nfs/dbraw/zinc/86/65/25/1022866525.db2.gz KJAFPAAPZLAYFW-ZIFCJYIRSA-N 1 3 329.513 4.267 20 0 EIADHO CCC[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cccnc1 ZINC000363863294 1022866526 /nfs/dbraw/zinc/86/65/26/1022866526.db2.gz KJAFPAAPZLAYFW-ZIFCJYIRSA-N 1 3 329.513 4.267 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000382069714 1022870060 /nfs/dbraw/zinc/87/00/60/1022870060.db2.gz RWYAIVIHTITHSO-APWZRJJASA-N 1 3 328.887 4.340 20 0 EIADHO [NH3+]CCC[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1 ZINC000423495663 1022923931 /nfs/dbraw/zinc/92/39/31/1022923931.db2.gz CKEUZKPUJXUXIN-MSOLQXFVSA-N 1 3 330.472 4.432 20 0 EIADHO COc1cccc(SCCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000660257463 1023396860 /nfs/dbraw/zinc/39/68/60/1023396860.db2.gz TZZSCRKNKKBFNG-IAGOWNOFSA-N 1 3 348.556 4.030 20 0 EIADHO COc1cccc(SCCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000660257463 1023396869 /nfs/dbraw/zinc/39/68/69/1023396869.db2.gz TZZSCRKNKKBFNG-IAGOWNOFSA-N 1 3 348.556 4.030 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)CCC2 ZINC000656683464 1023430780 /nfs/dbraw/zinc/43/07/80/1023430780.db2.gz LVJUVNMRJUBZAW-SFHVURJKSA-N 1 3 349.522 4.133 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000656683545 1023439260 /nfs/dbraw/zinc/43/92/60/1023439260.db2.gz NDAYWABDTBGLJF-INIZCTEOSA-N 1 3 343.902 4.298 20 0 EIADHO CCC[NH+]1CCC(CNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000510861203 1024658197 /nfs/dbraw/zinc/65/81/97/1024658197.db2.gz WUOBPGHUHPPEEE-UHFFFAOYSA-N 1 3 345.512 4.037 20 0 EIADHO c1ccc(C[N@H+]2CCC[C@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611409 1025056182 /nfs/dbraw/zinc/05/61/82/1025056182.db2.gz GLMNPPYBBXFDNC-OFNKIYASSA-N 1 3 349.522 4.425 20 0 EIADHO c1ccc(C[N@@H+]2CCC[C@H](CN[C@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000684611409 1025056198 /nfs/dbraw/zinc/05/61/98/1025056198.db2.gz GLMNPPYBBXFDNC-OFNKIYASSA-N 1 3 349.522 4.425 20 0 EIADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000156751069 1025602291 /nfs/dbraw/zinc/60/22/91/1025602291.db2.gz KONLRZOCZDDPFA-IRXDYDNUSA-N 1 3 330.516 4.184 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001167835857 1025840387 /nfs/dbraw/zinc/84/03/87/1025840387.db2.gz URHYHUJXAIJPTP-RTBURBONSA-N 1 3 349.538 4.015 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000432415519 1025884576 /nfs/dbraw/zinc/88/45/76/1025884576.db2.gz CWESGZXCEOBIGX-UONOGXRCSA-N 1 3 345.314 4.145 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000344181392 1026099994 /nfs/dbraw/zinc/09/99/94/1026099994.db2.gz ZJFRTRFIFWEDLM-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000344181392 1026100013 /nfs/dbraw/zinc/10/00/13/1026100013.db2.gz ZJFRTRFIFWEDLM-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550239231 1026393392 /nfs/dbraw/zinc/39/33/92/1026393392.db2.gz TUPAZDOIFKPBPH-PBHICJAKSA-N 1 3 326.406 4.184 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550239231 1026393400 /nfs/dbraw/zinc/39/34/00/1026393400.db2.gz TUPAZDOIFKPBPH-PBHICJAKSA-N 1 3 326.406 4.184 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000506880882 1026483655 /nfs/dbraw/zinc/48/36/55/1026483655.db2.gz BKHXPYUZJHFQIL-UHFFFAOYSA-N 1 3 330.516 4.029 20 0 EIADHO CC(C)[NH+]1CCC(N(C)CCCOc2cccc3ccccc32)CC1 ZINC000507362353 1026766021 /nfs/dbraw/zinc/76/60/21/1026766021.db2.gz QVHOZDZHASZPIN-UHFFFAOYSA-N 1 3 340.511 4.413 20 0 EIADHO CCOc1ccc([C@@H](CC)NC2CC[NH+](CC)CC2)cc1OCC ZINC000159316298 1026810146 /nfs/dbraw/zinc/81/01/46/1026810146.db2.gz VNHBORYJYUWWDN-GOSISDBHSA-N 1 3 334.504 4.009 20 0 EIADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3nc(-c4ccccc4)sc32)cc1 ZINC000519707717 1026965779 /nfs/dbraw/zinc/96/57/79/1026965779.db2.gz GCRBTZWIIHMIQS-GOSISDBHSA-N 1 3 349.503 4.436 20 0 EIADHO FC(F)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657613983 1027302740 /nfs/dbraw/zinc/30/27/40/1027302740.db2.gz ZXHPTYJQMXMRKA-UHFFFAOYSA-N 1 3 345.437 4.021 20 0 EIADHO CCCOc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1OC ZINC000444606743 1027888023 /nfs/dbraw/zinc/88/80/23/1027888023.db2.gz GTGSRJNCYOXXRP-QGZVFWFLSA-N 1 3 334.504 4.011 20 0 EIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000583052205 1027904270 /nfs/dbraw/zinc/90/42/70/1027904270.db2.gz XZOKBYUPMBPEDD-DOTOQJQBSA-N 1 3 342.449 4.346 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000583052207 1027904893 /nfs/dbraw/zinc/90/48/93/1027904893.db2.gz XZOKBYUPMBPEDD-RDJZCZTQSA-N 1 3 342.449 4.346 20 0 EIADHO COc1ccc([C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1Cl ZINC000522546633 1028006860 /nfs/dbraw/zinc/00/68/60/1028006860.db2.gz XDWMPKPMAMJBFI-SUMWQHHRSA-N 1 3 326.912 4.366 20 0 EIADHO Cc1cccc2nc(C3CC[NH+](CC[C@H]4CCCCN4C)CC3)oc21 ZINC000444780293 1028045102 /nfs/dbraw/zinc/04/51/02/1028045102.db2.gz FSVBBTLLUBEHLF-GOSISDBHSA-N 1 3 341.499 4.190 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000123919549 1028144042 /nfs/dbraw/zinc/14/40/42/1028144042.db2.gz NUYCROSLFIXKMW-HNNXBMFYSA-N 1 3 330.447 4.137 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000123919549 1028144051 /nfs/dbraw/zinc/14/40/51/1028144051.db2.gz NUYCROSLFIXKMW-HNNXBMFYSA-N 1 3 330.447 4.137 20 0 EIADHO CCCCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000324148538 1028161984 /nfs/dbraw/zinc/16/19/84/1028161984.db2.gz AXPCNKZXIZKNJI-INIZCTEOSA-N 1 3 326.484 4.349 20 0 EIADHO C[NH+](C)CC[C@H](NCc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC000523864751 1028435060 /nfs/dbraw/zinc/43/50/60/1028435060.db2.gz ZNGKYKZFBJOMQC-HNNXBMFYSA-N 1 3 332.410 4.041 20 0 EIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCSc2ccc(Cl)cc21 ZINC000650758446 1029213469 /nfs/dbraw/zinc/21/34/69/1029213469.db2.gz PWPNZJYQDYCNGE-KRWDZBQOSA-N 1 3 332.900 4.386 20 0 EIADHO Cc1ccc(-c2nc(CNCC3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC000278463898 1029284787 /nfs/dbraw/zinc/28/47/87/1029284787.db2.gz FSTATFNPTONDOH-UHFFFAOYSA-N 1 3 341.524 4.083 20 0 EIADHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000475219546 1029452712 /nfs/dbraw/zinc/45/27/12/1029452712.db2.gz JQHFRWXYUAWFTH-JKSUJKDBSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000475219546 1029452722 /nfs/dbraw/zinc/45/27/22/1029452722.db2.gz JQHFRWXYUAWFTH-JKSUJKDBSA-N 1 3 345.556 4.500 20 0 EIADHO Fc1ccc([C@@H]2CC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000475351571 1029565151 /nfs/dbraw/zinc/56/51/51/1029565151.db2.gz TYDCUZPMAZPMMV-XLIONFOSSA-N 1 3 330.491 4.458 20 0 EIADHO C[N@@H+]1CC[C@H](CNCc2ccc3occc3c2)[C@@H]1c1cccs1 ZINC000375751892 1029865313 /nfs/dbraw/zinc/86/53/13/1029865313.db2.gz YBYZZMBGUXNQDJ-VQIMIIECSA-N 1 3 326.465 4.277 20 0 EIADHO C[N@H+]1CC[C@H](CNCc2ccc3occc3c2)[C@@H]1c1cccs1 ZINC000375751892 1029865315 /nfs/dbraw/zinc/86/53/15/1029865315.db2.gz YBYZZMBGUXNQDJ-VQIMIIECSA-N 1 3 326.465 4.277 20 0 EIADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cccnc1Cl ZINC000090775350 1029869153 /nfs/dbraw/zinc/86/91/53/1029869153.db2.gz NGPSEJAPHDRHSE-GTPINHCMSA-N 1 3 335.923 4.429 20 0 EIADHO Fc1cccc(Oc2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)c1 ZINC000443970353 1030226578 /nfs/dbraw/zinc/22/65/78/1030226578.db2.gz UFLAXWQQCNEMMD-QGZVFWFLSA-N 1 3 340.442 4.192 20 0 EIADHO Cc1cccc2nc(C3CC[NH+](CCCN4CCCCC4)CC3)oc21 ZINC000189804054 1030511427 /nfs/dbraw/zinc/51/14/27/1030511427.db2.gz ORIZJNAZKWHRBD-UHFFFAOYSA-N 1 3 341.499 4.192 20 0 EIADHO COC[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000685645164 1030614262 /nfs/dbraw/zinc/61/42/62/1030614262.db2.gz KLIOHYXLUTZTLB-APWZRJJASA-N 1 3 338.923 4.129 20 0 EIADHO COC[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000685645164 1030614280 /nfs/dbraw/zinc/61/42/80/1030614280.db2.gz KLIOHYXLUTZTLB-APWZRJJASA-N 1 3 338.923 4.129 20 0 EIADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000685665255 1030664543 /nfs/dbraw/zinc/66/45/43/1030664543.db2.gz ZWTBYODIVNWVFH-SIKLNZKXSA-N 1 3 344.543 4.084 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)F)nc1 ZINC000657999295 1030769014 /nfs/dbraw/zinc/76/90/14/1030769014.db2.gz TXCYQKJMBFALSV-RDJZCZTQSA-N 1 3 345.437 4.192 20 0 EIADHO CCOC1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000658018539 1030782762 /nfs/dbraw/zinc/78/27/62/1030782762.db2.gz ITZABOUJHDBJML-ITAUSPCMSA-N 1 3 344.543 4.226 20 0 EIADHO CC(C)[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000658164180 1030861085 /nfs/dbraw/zinc/86/10/85/1030861085.db2.gz CCSBDZRZDRYKNW-QFIPXVFZSA-N 1 3 337.511 4.281 20 0 EIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527849535 1030891903 /nfs/dbraw/zinc/89/19/03/1030891903.db2.gz QIYASCYZGUIJSS-LJQANCHMSA-N 1 3 332.850 4.318 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cncs1 ZINC000658319531 1030977594 /nfs/dbraw/zinc/97/75/94/1030977594.db2.gz FYEQZJAXPOQXRL-FUHWJXTLSA-N 1 3 341.524 4.096 20 0 EIADHO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000658320182 1030979051 /nfs/dbraw/zinc/97/90/51/1030979051.db2.gz PLRQHZYWPSYAOD-SIKLNZKXSA-N 1 3 349.522 4.343 20 0 EIADHO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000527964483 1031007341 /nfs/dbraw/zinc/00/73/41/1031007341.db2.gz KSCRHKLTRJXPFS-HARLFGEKSA-N 1 3 349.522 4.423 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccccc1OCc1ccccc1 ZINC000532507299 1031230004 /nfs/dbraw/zinc/23/00/04/1031230004.db2.gz RGQQYFDMWJSTCR-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000531719377 1031520938 /nfs/dbraw/zinc/52/09/38/1031520938.db2.gz CZBIDGQALGEHGN-UHFFFAOYSA-N 1 3 332.919 4.330 20 0 EIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCc2ccccn2)CC1 ZINC000449209770 1031534247 /nfs/dbraw/zinc/53/42/47/1031534247.db2.gz PZTDJIOOKCROGF-UHFFFAOYSA-N 1 3 331.548 4.283 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000422730140 1031583909 /nfs/dbraw/zinc/58/39/09/1031583909.db2.gz DKMKBCAKYWDSNC-NSHDSACASA-N 1 3 338.282 4.049 20 0 EIADHO CC[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000453107350 1031598596 /nfs/dbraw/zinc/59/85/96/1031598596.db2.gz ISRYOSHMSKEHOX-FQEVSTJZSA-N 1 3 344.524 4.464 20 0 EIADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000453193671 1031704417 /nfs/dbraw/zinc/70/44/17/1031704417.db2.gz GKZLQYYKLZPGLB-WSTZPKSXSA-N 1 3 329.532 4.035 20 0 EIADHO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000453193668 1031704460 /nfs/dbraw/zinc/70/44/60/1031704460.db2.gz GKZLQYYKLZPGLB-GGPKGHCWSA-N 1 3 329.532 4.035 20 0 EIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N2CCC[C@]3(CCOC3)C2)CC1 ZINC000453384692 1031895237 /nfs/dbraw/zinc/89/52/37/1031895237.db2.gz TYKQGDOUNFDYDD-NRFANRHFSA-N 1 3 336.564 4.168 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000531980328 1031925786 /nfs/dbraw/zinc/92/57/86/1031925786.db2.gz ZZLICZRAQDKBBY-ICSRJNTNSA-N 1 3 337.511 4.417 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000531980328 1031925798 /nfs/dbraw/zinc/92/57/98/1031925798.db2.gz ZZLICZRAQDKBBY-ICSRJNTNSA-N 1 3 337.511 4.417 20 0 EIADHO C[C@H]1C[C@@H](NCc2cc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513053792 1034371754 /nfs/dbraw/zinc/37/17/54/1034371754.db2.gz YIPUERXUFQKWHR-PXNSSMCTSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@@H](NCc2cc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513053792 1034371771 /nfs/dbraw/zinc/37/17/71/1034371771.db2.gz YIPUERXUFQKWHR-PXNSSMCTSA-N 1 3 333.479 4.311 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000333347529 1034816830 /nfs/dbraw/zinc/81/68/30/1034816830.db2.gz ZPKMZMYIDKMKLB-OWCLPIDISA-N 1 3 327.497 4.047 20 0 EIADHO CCC(CC)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000501008007 1035343602 /nfs/dbraw/zinc/34/36/02/1035343602.db2.gz OUOILPPHOBXNQC-JOCHJYFZSA-N 1 3 345.575 4.170 20 0 EIADHO C/C(=C/c1ccccc1)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000588177623 1036284284 /nfs/dbraw/zinc/28/42/84/1036284284.db2.gz LFWZCDBUJZOIJS-ZZEZOPTASA-N 1 3 334.507 4.387 20 0 EIADHO CC(C)c1ncc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000486565881 1036770878 /nfs/dbraw/zinc/77/08/78/1036770878.db2.gz NIVSOSPRXLQRMF-SJLPKXTDSA-N 1 3 343.540 4.267 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526521 1036787023 /nfs/dbraw/zinc/78/70/23/1036787023.db2.gz HHOKKCMPDOCUNR-RDTXWAMCSA-N 1 3 332.488 4.326 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000572526521 1036787043 /nfs/dbraw/zinc/78/70/43/1036787043.db2.gz HHOKKCMPDOCUNR-RDTXWAMCSA-N 1 3 332.488 4.326 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422719291 1037813243 /nfs/dbraw/zinc/81/32/43/1037813243.db2.gz YJCUYEVEZSSYSU-CYBMUJFWSA-N 1 3 331.891 4.131 20 0 EIADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422745356 1037823159 /nfs/dbraw/zinc/82/31/59/1037823159.db2.gz MDZNLDSIVONFDC-BOUXLOLZSA-N 1 3 342.870 4.247 20 0 EIADHO C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCCCC1)C1C[NH2+]C1 ZINC000422778724 1037833227 /nfs/dbraw/zinc/83/32/27/1037833227.db2.gz DWNVKWFCUGZZDD-CQSZACIVSA-N 1 3 340.433 4.105 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000422789891 1037840543 /nfs/dbraw/zinc/84/05/43/1037840543.db2.gz XCZAVJYORMPLGE-RYUDHWBXSA-N 1 3 348.288 4.023 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880186 1037852081 /nfs/dbraw/zinc/85/20/81/1037852081.db2.gz NLUVGYPPCYRUQR-HNNXBMFYSA-N 1 3 341.474 4.150 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422880187 1037853013 /nfs/dbraw/zinc/85/30/13/1037853013.db2.gz NLUVGYPPCYRUQR-OAHLLOKOSA-N 1 3 341.474 4.150 20 0 EIADHO CCN(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000422868784 1037856531 /nfs/dbraw/zinc/85/65/31/1037856531.db2.gz WAUGUVVCDYFZMO-MTQWCTHYSA-N 1 3 349.588 4.031 20 0 EIADHO COc1ccc([C@H](C)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311123369 1037858771 /nfs/dbraw/zinc/85/87/71/1037858771.db2.gz HPZJHEKDDHEXNG-AVRDEDQJSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@H](C)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000311123369 1037858786 /nfs/dbraw/zinc/85/87/86/1037858786.db2.gz HPZJHEKDDHEXNG-AVRDEDQJSA-N 1 3 338.495 4.258 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000422873020 1037858929 /nfs/dbraw/zinc/85/89/29/1037858929.db2.gz JMTQVYCOZYWRMK-AWEZNQCLSA-N 1 3 345.918 4.422 20 0 EIADHO c1ccc(SC2(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422910674 1037866504 /nfs/dbraw/zinc/86/65/04/1037866504.db2.gz RGTGEYDEPNSMEX-GBESFXJTSA-N 1 3 330.541 4.212 20 0 EIADHO Cc1cc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422921447 1037868479 /nfs/dbraw/zinc/86/84/79/1037868479.db2.gz PUVDPGSUIITNAQ-ZRCAFCQKSA-N 1 3 340.442 4.041 20 0 EIADHO COc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2ccccc2Cl)cc1 ZINC000422927730 1037870285 /nfs/dbraw/zinc/87/02/85/1037870285.db2.gz ZYRCUBPYYWVYDP-AUUYWEPGSA-N 1 3 332.875 4.155 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000422927717 1037871492 /nfs/dbraw/zinc/87/14/92/1037871492.db2.gz ZWVDKYXTLJJKSZ-AAEUAGOBSA-N 1 3 337.389 4.279 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NC1(c2ccc(Cl)cc2)CCC1 ZINC000422936052 1037873536 /nfs/dbraw/zinc/87/35/36/1037873536.db2.gz HUMVEEVVFAHHLX-CQSZACIVSA-N 1 3 329.875 4.232 20 0 EIADHO Clc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422937842 1037875044 /nfs/dbraw/zinc/87/50/44/1037875044.db2.gz CUYJBJOIXGCIRF-YZGWKJHDSA-N 1 3 326.871 4.410 20 0 EIADHO COc1ccccc1SC[C@H](C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422947685 1037885704 /nfs/dbraw/zinc/88/57/04/1037885704.db2.gz QWTFEVIMJFDJTD-ZTFGCOKTSA-N 1 3 342.508 4.158 20 0 EIADHO CCC(C)(C)c1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423001888 1037896985 /nfs/dbraw/zinc/89/69/85/1037896985.db2.gz ITSWDRABASBDKH-OAHLLOKOSA-N 1 3 325.500 4.387 20 0 EIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423006235 1037899420 /nfs/dbraw/zinc/89/94/20/1037899420.db2.gz USEAIOWJEKYFRU-ZFMNYDKASA-N 1 3 330.516 4.055 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21 ZINC000423010954 1037899537 /nfs/dbraw/zinc/89/95/37/1037899537.db2.gz AKOCLTYNVPBLKT-RDJZCZTQSA-N 1 3 337.511 4.355 20 0 EIADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012773 1037901268 /nfs/dbraw/zinc/90/12/68/1037901268.db2.gz LJDMIZUHWJYEFN-WMLDXEAASA-N 1 3 349.931 4.113 20 0 EIADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012773 1037901298 /nfs/dbraw/zinc/90/12/98/1037901298.db2.gz LJDMIZUHWJYEFN-WMLDXEAASA-N 1 3 349.931 4.113 20 0 EIADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423096960 1037953593 /nfs/dbraw/zinc/95/35/93/1037953593.db2.gz QDTZSZYOXGDCBO-SRABZTEZSA-N 1 3 326.406 4.059 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423152420 1038002819 /nfs/dbraw/zinc/00/28/19/1038002819.db2.gz DZJKQPQIASUSLD-CWTRNNRKSA-N 1 3 347.865 4.443 20 0 EIADHO Cc1ccc2c(c1)[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423132904 1038010346 /nfs/dbraw/zinc/01/03/46/1038010346.db2.gz PSHKXABLJGFXBU-FUPPJEDESA-N 1 3 348.490 4.218 20 0 EIADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000423200053 1038048492 /nfs/dbraw/zinc/04/84/92/1038048492.db2.gz LNUVJOQKRRCOJX-LSDHHAIUSA-N 1 3 331.529 4.430 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000423288931 1038090841 /nfs/dbraw/zinc/09/08/41/1038090841.db2.gz AAUDJRCGKOJMEP-SCLBCKFNSA-N 1 3 330.859 4.363 20 0 EIADHO CCOc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OCC ZINC000423291939 1038095404 /nfs/dbraw/zinc/09/54/04/1038095404.db2.gz KQCPOTCHIVOTSD-HZPDHXFCSA-N 1 3 342.483 4.355 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000423291258 1038097086 /nfs/dbraw/zinc/09/70/86/1038097086.db2.gz HNJXBVDDVOFYND-FZKQIMNGSA-N 1 3 330.859 4.363 20 0 EIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(Br)c1 ZINC000423294576 1038118462 /nfs/dbraw/zinc/11/84/62/1038118462.db2.gz UWYXFQVUWVNAKV-QWHCGFSZSA-N 1 3 333.273 4.320 20 0 EIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OC(F)(F)F)cc1 ZINC000423376813 1038205379 /nfs/dbraw/zinc/20/53/79/1038205379.db2.gz JBRSHNQRXRFSLU-LBPRGKRZSA-N 1 3 336.357 4.039 20 0 EIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423499462 1038254520 /nfs/dbraw/zinc/25/45/20/1038254520.db2.gz AYPYWIDUSATFRY-UZLBHIALSA-N 1 3 326.488 4.129 20 0 EIADHO C[C@H](N[C@@H]1CSCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924850099 1038326633 /nfs/dbraw/zinc/32/66/33/1038326633.db2.gz QURGSSKUBFBGLA-MGPUTAFESA-N 1 3 326.509 4.387 20 0 EIADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490070160 1038331354 /nfs/dbraw/zinc/33/13/54/1038331354.db2.gz WRCXGXISGHLADO-DLBZAZTESA-N 1 3 347.572 4.076 20 0 EIADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490070160 1038331370 /nfs/dbraw/zinc/33/13/70/1038331370.db2.gz WRCXGXISGHLADO-DLBZAZTESA-N 1 3 347.572 4.076 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@@H+]1C ZINC000608061538 1038443034 /nfs/dbraw/zinc/44/30/34/1038443034.db2.gz JLQCDGZVCNUQEF-NQIIRXRSSA-N 1 3 347.506 4.262 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cn(Cc3ccccc3)c3ccccc23)CC[N@H+]1C ZINC000608061538 1038443090 /nfs/dbraw/zinc/44/30/90/1038443090.db2.gz JLQCDGZVCNUQEF-NQIIRXRSSA-N 1 3 347.506 4.262 20 0 EIADHO Cc1ccc(CN(C)C)cc1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424148646 1038647796 /nfs/dbraw/zinc/64/77/96/1038647796.db2.gz USSNMGOHKBCTME-LJQANCHMSA-N 1 3 345.531 4.073 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424266217 1038762711 /nfs/dbraw/zinc/76/27/11/1038762711.db2.gz WPYQMWFMOSTQSA-IEBWSBKVSA-N 1 3 343.540 4.281 20 0 EIADHO COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000539062445 1038807993 /nfs/dbraw/zinc/80/79/93/1038807993.db2.gz YYHSKXHOXIWKKN-AVRDEDQJSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000539062445 1038807999 /nfs/dbraw/zinc/80/79/99/1038807999.db2.gz YYHSKXHOXIWKKN-AVRDEDQJSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccccc1OCC[NH+](C)C ZINC000504911856 1038847813 /nfs/dbraw/zinc/84/78/13/1038847813.db2.gz MTSGYTIAUAYPQQ-YLJYHZDGSA-N 1 3 338.495 4.274 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201329 1038879186 /nfs/dbraw/zinc/87/91/86/1038879186.db2.gz WTWIIUSWZHCSHY-RDTXWAMCSA-N 1 3 340.433 4.478 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539201329 1038879188 /nfs/dbraw/zinc/87/91/88/1038879188.db2.gz WTWIIUSWZHCSHY-RDTXWAMCSA-N 1 3 340.433 4.478 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2cccc(Br)c2)C1 ZINC000481024777 1038964609 /nfs/dbraw/zinc/96/46/09/1038964609.db2.gz NJPQJONRZQKKHC-YOEHRIQHSA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2cccc(Br)c2)C1 ZINC000481024777 1038964634 /nfs/dbraw/zinc/96/46/34/1038964634.db2.gz NJPQJONRZQKKHC-YOEHRIQHSA-N 1 3 339.321 4.222 20 0 EIADHO Cc1ccc(-c2ncc(CNCc3ccc([C@@H](C)[NH3+])cc3)s2)cc1 ZINC000414801812 1038982041 /nfs/dbraw/zinc/98/20/41/1038982041.db2.gz APVAFGUIBYFTCF-OAHLLOKOSA-N 1 3 337.492 4.428 20 0 EIADHO Cc1cc(Br)ccc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414801695 1038982746 /nfs/dbraw/zinc/98/27/46/1038982746.db2.gz ALRXLDODXJCNNH-CYBMUJFWSA-N 1 3 333.273 4.067 20 0 EIADHO Cc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)sc1Br ZINC000414801842 1038983031 /nfs/dbraw/zinc/98/30/31/1038983031.db2.gz ARRFINOBKCPPCC-LLVKDONJSA-N 1 3 339.302 4.129 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555232558 1038999579 /nfs/dbraw/zinc/99/95/79/1038999579.db2.gz HVPRVHXZAGIKNW-ZXMXYHOLSA-N 1 3 348.534 4.333 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552042741 1039060586 /nfs/dbraw/zinc/06/05/86/1039060586.db2.gz ZPCDSZWSWVOHKW-RCCFBDPRSA-N 1 3 340.433 4.219 20 0 EIADHO FC(F)(F)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552042741 1039060607 /nfs/dbraw/zinc/06/06/07/1039060607.db2.gz ZPCDSZWSWVOHKW-RCCFBDPRSA-N 1 3 340.433 4.219 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)c2sccc2C)C1 ZINC000481314185 1039283847 /nfs/dbraw/zinc/28/38/47/1039283847.db2.gz BNPWDZBOPYSXCH-MOPGFXCFSA-N 1 3 328.525 4.272 20 0 EIADHO CCC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325247 1039295268 /nfs/dbraw/zinc/29/52/68/1039295268.db2.gz VBJJTDJWJMBBMT-RHSMWYFYSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325247 1039295302 /nfs/dbraw/zinc/29/53/02/1039295302.db2.gz VBJJTDJWJMBBMT-RHSMWYFYSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000481325247 1039295336 /nfs/dbraw/zinc/29/53/36/1039295336.db2.gz VBJJTDJWJMBBMT-RHSMWYFYSA-N 1 3 328.422 4.478 20 0 EIADHO c1csc([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCC2)c1 ZINC000091726560 1039389085 /nfs/dbraw/zinc/38/90/85/1039389085.db2.gz STOUOHJOIGLDEG-JXFKEZNVSA-N 1 3 348.556 4.070 20 0 EIADHO Fc1ccc(C(F)(F)F)cc1CNCCCCC[NH+]1CCCC1 ZINC000555613409 1039447245 /nfs/dbraw/zinc/44/72/45/1039447245.db2.gz CQFNSPSTVRIILW-UHFFFAOYSA-N 1 3 332.385 4.200 20 0 EIADHO Cc1cc(C)cc([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122274625 1039639167 /nfs/dbraw/zinc/63/91/67/1039639167.db2.gz AQDLFNYGPDZCAK-GOSISDBHSA-N 1 3 326.484 4.095 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430115485 1039852283 /nfs/dbraw/zinc/85/22/83/1039852283.db2.gz BFGYMFMUZONHCK-RXBGNRNISA-N 1 3 338.417 4.136 20 0 EIADHO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430115485 1039852288 /nfs/dbraw/zinc/85/22/88/1039852288.db2.gz BFGYMFMUZONHCK-RXBGNRNISA-N 1 3 338.417 4.136 20 0 EIADHO CCOCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550999064 1039863330 /nfs/dbraw/zinc/86/33/30/1039863330.db2.gz HZLMNVCMSLYODK-FGZHOGPDSA-N 1 3 338.495 4.148 20 0 EIADHO CCOCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550999064 1039863334 /nfs/dbraw/zinc/86/33/34/1039863334.db2.gz HZLMNVCMSLYODK-FGZHOGPDSA-N 1 3 338.495 4.148 20 0 EIADHO CN(c1ccccc1CN1CC[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434986061 1039984316 /nfs/dbraw/zinc/98/43/16/1039984316.db2.gz MCCNCNUUAFFMCO-QHCPKHFHSA-N 1 3 349.522 4.164 20 0 EIADHO C[C@@H](NCc1coc2ccccc12)c1ccc(OCC[NH+](C)C)cc1 ZINC000551205298 1040060896 /nfs/dbraw/zinc/06/08/96/1040060896.db2.gz JBHXJTQJZKRFTE-MRXNPFEDSA-N 1 3 338.451 4.224 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000482323922 1040167452 /nfs/dbraw/zinc/16/74/52/1040167452.db2.gz UJJGFRKNQMULGQ-VFNWGFHPSA-N 1 3 326.459 4.301 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000482323922 1040167484 /nfs/dbraw/zinc/16/74/84/1040167484.db2.gz UJJGFRKNQMULGQ-VFNWGFHPSA-N 1 3 326.459 4.301 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000482328899 1040180536 /nfs/dbraw/zinc/18/05/36/1040180536.db2.gz IVLIDVYIAYJZSV-CRAIPNDOSA-N 1 3 340.458 4.449 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000482336224 1040186136 /nfs/dbraw/zinc/18/61/36/1040186136.db2.gz RVECHZWGPGIUIM-HUUCEWRRSA-N 1 3 328.422 4.476 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000482355197 1040196429 /nfs/dbraw/zinc/19/64/29/1040196429.db2.gz FKRXCVUQOCIMEU-CABCVRRESA-N 1 3 344.421 4.356 20 0 EIADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482456269 1040254174 /nfs/dbraw/zinc/25/41/74/1040254174.db2.gz ZGWQUNFJGWFIJH-KKLQWCBXSA-N 1 3 334.507 4.074 20 0 EIADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995700 1040393697 /nfs/dbraw/zinc/39/36/97/1040393697.db2.gz WWJXPZNWKYHUTC-QWHCGFSZSA-N 1 3 327.299 4.189 20 0 EIADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995700 1040393715 /nfs/dbraw/zinc/39/37/15/1040393715.db2.gz WWJXPZNWKYHUTC-QWHCGFSZSA-N 1 3 327.299 4.189 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2cn(C(C)C)nc2C)CC1)CC(C)C ZINC000515093418 1040479839 /nfs/dbraw/zinc/47/98/39/1040479839.db2.gz KPELWSPVJXJRBI-UHFFFAOYSA-N 1 3 348.579 4.352 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2cn(C(C)C)nc2C)CC1)CC(C)C ZINC000515093418 1040479849 /nfs/dbraw/zinc/47/98/49/1040479849.db2.gz KPELWSPVJXJRBI-UHFFFAOYSA-N 1 3 348.579 4.352 20 0 EIADHO CCOCc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924638448 1040632039 /nfs/dbraw/zinc/63/20/39/1040632039.db2.gz JSPFPIYCTPSZBS-QGZVFWFLSA-N 1 3 326.484 4.136 20 0 EIADHO Cc1ccccc1[C@H](CC(C)C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000483199007 1040757633 /nfs/dbraw/zinc/75/76/33/1040757633.db2.gz NGWMSJMHMOTFDK-KNQAVFIVSA-N 1 3 344.543 4.173 20 0 EIADHO Fc1cccc2[nH]c(CNCc3ccc(C[NH+]4CCCC4)cc3)cc21 ZINC000436282137 1041027517 /nfs/dbraw/zinc/02/75/17/1041027517.db2.gz QHPXKKBBHWVPSS-UHFFFAOYSA-N 1 3 337.442 4.193 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000484316755 1041207361 /nfs/dbraw/zinc/20/73/61/1041207361.db2.gz ZOTCIHCIKUFDQS-TZMCWYRMSA-N 1 3 333.303 4.001 20 0 EIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000484472557 1041247392 /nfs/dbraw/zinc/24/73/92/1041247392.db2.gz KVMMPHJPXGJDCA-CPUCHLNUSA-N 1 3 342.405 4.035 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c2ccccc12 ZINC000484496507 1041303439 /nfs/dbraw/zinc/30/34/39/1041303439.db2.gz RMDHTRPAXXILHP-BBWFWOEESA-N 1 3 326.484 4.372 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c2ccccc12 ZINC000484496507 1041303455 /nfs/dbraw/zinc/30/34/55/1041303455.db2.gz RMDHTRPAXXILHP-BBWFWOEESA-N 1 3 326.484 4.372 20 0 EIADHO COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccc12 ZINC000484496508 1041303843 /nfs/dbraw/zinc/30/38/43/1041303843.db2.gz RMDHTRPAXXILHP-GVDBMIGSSA-N 1 3 326.484 4.372 20 0 EIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c2ccccc12 ZINC000484496508 1041303851 /nfs/dbraw/zinc/30/38/51/1041303851.db2.gz RMDHTRPAXXILHP-GVDBMIGSSA-N 1 3 326.484 4.372 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445709 1041304022 /nfs/dbraw/zinc/30/40/22/1041304022.db2.gz OMUYKTOXCRVFEZ-MGPUTAFESA-N 1 3 328.431 4.048 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000480445709 1041304036 /nfs/dbraw/zinc/30/40/36/1041304036.db2.gz OMUYKTOXCRVFEZ-MGPUTAFESA-N 1 3 328.431 4.048 20 0 EIADHO Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463117246 1041358099 /nfs/dbraw/zinc/35/80/99/1041358099.db2.gz SIBXFFBLAWUNSU-QHCPKHFHSA-N 1 3 334.507 4.279 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cccc(F)c1F ZINC000463278911 1041469695 /nfs/dbraw/zinc/46/96/95/1041469695.db2.gz DYQFHZBWTFYSAW-MRXNPFEDSA-N 1 3 344.449 4.323 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000480741235 1041515548 /nfs/dbraw/zinc/51/55/48/1041515548.db2.gz NDCDCQYYPXYPLZ-RLFYNMQTSA-N 1 3 326.509 4.495 20 0 EIADHO c1ccc2c(c1)sc1c2CCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000480741235 1041515558 /nfs/dbraw/zinc/51/55/58/1041515558.db2.gz NDCDCQYYPXYPLZ-RLFYNMQTSA-N 1 3 326.509 4.495 20 0 EIADHO c1cc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)cs1 ZINC001168359870 1041600935 /nfs/dbraw/zinc/60/09/35/1041600935.db2.gz FZFZJWLMJKKTFR-UHFFFAOYSA-N 1 3 326.509 4.379 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C[C@@H](C)O1 ZINC000464059665 1041844656 /nfs/dbraw/zinc/84/46/56/1041844656.db2.gz ZCTOVZJSENYSTE-RMVXJAJNSA-N 1 3 344.543 4.048 20 0 EIADHO Cc1ccc2cc([C@H](C)[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)oc2c1 ZINC000425927137 1041952280 /nfs/dbraw/zinc/95/22/80/1041952280.db2.gz YNPULDBLPDUHKE-BZSNNMDCSA-N 1 3 344.499 4.281 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1C ZINC000303149407 1042323044 /nfs/dbraw/zinc/32/30/44/1042323044.db2.gz FCWXXNPJMNTAEJ-JOCHJYFZSA-N 1 3 336.523 4.266 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000414974615 1042461106 /nfs/dbraw/zinc/46/11/06/1042461106.db2.gz DUDJKIOKKVBLDZ-AVRDEDQJSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000414974615 1042461112 /nfs/dbraw/zinc/46/11/12/1042461112.db2.gz DUDJKIOKKVBLDZ-AVRDEDQJSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000414974622 1042461787 /nfs/dbraw/zinc/46/17/87/1042461787.db2.gz DUDJKIOKKVBLDZ-GCJKJVERSA-N 1 3 349.522 4.187 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCN3)CC[N@H+]1Cc1ccccc1 ZINC000414974622 1042461790 /nfs/dbraw/zinc/46/17/90/1042461790.db2.gz DUDJKIOKKVBLDZ-GCJKJVERSA-N 1 3 349.522 4.187 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000518474607 1042540577 /nfs/dbraw/zinc/54/05/77/1042540577.db2.gz GBCAMHWADHUJPW-UHFFFAOYSA-N 1 3 345.918 4.442 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000493075095 1042811079 /nfs/dbraw/zinc/81/10/79/1042811079.db2.gz BIOFOMOEGYKOMV-VXKWHMMOSA-N 1 3 340.511 4.031 20 0 EIADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309710703 1042819957 /nfs/dbraw/zinc/81/99/57/1042819957.db2.gz JESXOHUZMZRMCF-WMZOPIPTSA-N 1 3 328.525 4.483 20 0 EIADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309710703 1042819961 /nfs/dbraw/zinc/81/99/61/1042819961.db2.gz JESXOHUZMZRMCF-WMZOPIPTSA-N 1 3 328.525 4.483 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842004 1042846701 /nfs/dbraw/zinc/84/67/01/1042846701.db2.gz NWLHYLIDLQUMBO-GHTZIAJQSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000310842004 1042846704 /nfs/dbraw/zinc/84/67/04/1042846704.db2.gz NWLHYLIDLQUMBO-GHTZIAJQSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc(C)c1O ZINC000310842004 1042846705 /nfs/dbraw/zinc/84/67/05/1042846705.db2.gz NWLHYLIDLQUMBO-GHTZIAJQSA-N 1 3 338.495 4.009 20 0 EIADHO CCc1cccc2c(CC[NH2+]C3CCN(C(C)(C)C)CC3)c[nH]c21 ZINC000178093355 1042858056 /nfs/dbraw/zinc/85/80/56/1042858056.db2.gz STJPMYCVEJMSNB-UHFFFAOYSA-N 1 3 327.516 4.125 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2cccnc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311609395 1042862481 /nfs/dbraw/zinc/86/24/81/1042862481.db2.gz DZEDYWIJGNPCND-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000494984391 1043094235 /nfs/dbraw/zinc/09/42/35/1043094235.db2.gz FBWBHPOMYBSUJG-MRXNPFEDSA-N 1 3 347.572 4.497 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000494984391 1043094251 /nfs/dbraw/zinc/09/42/51/1043094251.db2.gz FBWBHPOMYBSUJG-MRXNPFEDSA-N 1 3 347.572 4.497 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000657965808 1043221878 /nfs/dbraw/zinc/22/18/78/1043221878.db2.gz BOBQZHSXLJZENT-AOIWGVFYSA-N 1 3 349.478 4.389 20 0 EIADHO COc1ccc(-c2nc(C)c([C@@H](C)NCC[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000665281013 1043650247 /nfs/dbraw/zinc/65/02/47/1043650247.db2.gz RNNHGUSYWWZBJU-CXAGYDPISA-N 1 3 347.528 4.151 20 0 EIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3ccc4[nH]ccc4c3)CC2)C1 ZINC000442796128 1043843133 /nfs/dbraw/zinc/84/31/33/1043843133.db2.gz FSNUNKJFDWQNQO-UTKZUKDTSA-N 1 3 339.527 4.343 20 0 EIADHO CC(C)C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195132329 1044026295 /nfs/dbraw/zinc/02/62/95/1044026295.db2.gz ADCNEPBONVTYFK-UNMCSNQZSA-N 1 3 337.511 4.281 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cc(Br)cs1 ZINC000226391540 1044172626 /nfs/dbraw/zinc/17/26/26/1044172626.db2.gz FXEINBNGPOUCLH-LBPRGKRZSA-N 1 3 331.323 4.037 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001168470371 1044290675 /nfs/dbraw/zinc/29/06/75/1044290675.db2.gz XURVMTAKDJHZFH-KRWDZBQOSA-N 1 3 332.507 4.391 20 0 EIADHO C[C@@H](Cc1cccc(F)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001168470371 1044290687 /nfs/dbraw/zinc/29/06/87/1044290687.db2.gz XURVMTAKDJHZFH-KRWDZBQOSA-N 1 3 332.507 4.391 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3c2ccc(OC)c3F)c1 ZINC000675728667 1044460923 /nfs/dbraw/zinc/46/09/23/1044460923.db2.gz SRVJWOIRWZOWOG-LJQANCHMSA-N 1 3 342.458 4.063 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3c2ccc(OC)c3F)c1 ZINC000675728667 1044460945 /nfs/dbraw/zinc/46/09/45/1044460945.db2.gz SRVJWOIRWZOWOG-LJQANCHMSA-N 1 3 342.458 4.063 20 0 EIADHO CS[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)(C)C ZINC000543412102 1044554044 /nfs/dbraw/zinc/55/40/44/1044554044.db2.gz VQRKGHXMMJSPKU-CGTJXYLNSA-N 1 3 326.594 4.397 20 0 EIADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001168476304 1044629275 /nfs/dbraw/zinc/62/92/75/1044629275.db2.gz SUHQPJAXWBOSHS-MSOLQXFVSA-N 1 3 330.491 4.167 20 0 EIADHO C[C@H](Cc1cccc(F)c1)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001168476304 1044629285 /nfs/dbraw/zinc/62/92/85/1044629285.db2.gz SUHQPJAXWBOSHS-MSOLQXFVSA-N 1 3 330.491 4.167 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428878595 1044809261 /nfs/dbraw/zinc/80/92/61/1044809261.db2.gz AMMLCHQRAQRDSW-HUUCEWRRSA-N 1 3 349.519 4.283 20 0 EIADHO Cc1ncsc1-c1ccc(C[NH+]2CCC(C)(N3CCC3)CC2)cc1 ZINC000895672594 1044848113 /nfs/dbraw/zinc/84/81/13/1044848113.db2.gz VLTAZVNCHZDGPE-UHFFFAOYSA-N 1 3 341.524 4.179 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154305 1044934132 /nfs/dbraw/zinc/93/41/32/1044934132.db2.gz XMYIQOVGKYWCQO-WTNAPCKOSA-N 1 3 326.528 4.423 20 0 EIADHO Cc1nc2c(cccc2CCNC2CC[NH+](C3CCCCC3)CC2)o1 ZINC000922770303 1044940750 /nfs/dbraw/zinc/94/07/50/1044940750.db2.gz FXCLCHQDQRVAEH-UHFFFAOYSA-N 1 3 341.499 4.065 20 0 EIADHO Cc1nc2c(cccc2CC[NH2+]C2CCN(C3CCCCC3)CC2)o1 ZINC000922770303 1044940768 /nfs/dbraw/zinc/94/07/68/1044940768.db2.gz FXCLCHQDQRVAEH-UHFFFAOYSA-N 1 3 341.499 4.065 20 0 EIADHO CC1([NH+]2CCC2)CCC(NCc2cscc2Br)CC1 ZINC000922845210 1044998384 /nfs/dbraw/zinc/99/83/84/1044998384.db2.gz NLFTZGRBPULKSF-UHFFFAOYSA-N 1 3 343.334 4.007 20 0 EIADHO c1cc2c(cccc2CNCc2ccccc2C[NH+]2CCCCC2)[nH]1 ZINC000236658754 1045363987 /nfs/dbraw/zinc/36/39/87/1045363987.db2.gz PSXUFPICWYDTHU-UHFFFAOYSA-N 1 3 333.479 4.444 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(F)c1 ZINC000398050263 1045826787 /nfs/dbraw/zinc/82/67/87/1045826787.db2.gz XICDCJDPPBXVGM-XGHQBKJUSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(F)c1 ZINC000398050263 1045826790 /nfs/dbraw/zinc/82/67/90/1045826790.db2.gz XICDCJDPPBXVGM-XGHQBKJUSA-N 1 3 326.459 4.387 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000125951159 1046385734 /nfs/dbraw/zinc/38/57/34/1046385734.db2.gz TYVSRVJZVBKSAF-GJZGRUSLSA-N 1 3 326.431 4.059 20 0 EIADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1OCC ZINC000125985076 1046406681 /nfs/dbraw/zinc/40/66/81/1046406681.db2.gz VVTYGTIODRYDLR-MSOLQXFVSA-N 1 3 348.531 4.255 20 0 EIADHO CCCOc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000536652968 1046596975 /nfs/dbraw/zinc/59/69/75/1046596975.db2.gz DBIWDLKUEORTJZ-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO CCCOc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000536652968 1046596990 /nfs/dbraw/zinc/59/69/90/1046596990.db2.gz DBIWDLKUEORTJZ-UHFFFAOYSA-N 1 3 348.531 4.036 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000536678539 1046666432 /nfs/dbraw/zinc/66/64/32/1046666432.db2.gz CASQGRBTSJJWQA-WFASDCNBSA-N 1 3 346.849 4.104 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)[C@@H](C)C1 ZINC000536678539 1046666441 /nfs/dbraw/zinc/66/64/41/1046666441.db2.gz CASQGRBTSJJWQA-WFASDCNBSA-N 1 3 346.849 4.104 20 0 EIADHO CCOc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379643036 1046737515 /nfs/dbraw/zinc/73/75/15/1046737515.db2.gz ASJQLZYYGUZDMV-WIYYLYMNSA-N 1 3 338.495 4.228 20 0 EIADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379643036 1046737527 /nfs/dbraw/zinc/73/75/27/1046737527.db2.gz ASJQLZYYGUZDMV-WIYYLYMNSA-N 1 3 338.495 4.228 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497839060 1047114716 /nfs/dbraw/zinc/11/47/16/1047114716.db2.gz FTLPMRFFWXGHGJ-DYESRHJHSA-N 1 3 330.491 4.472 20 0 EIADHO CC[NH+](CC)CCCNC1CC(c2cccc(Br)c2)C1 ZINC000036842390 1047486382 /nfs/dbraw/zinc/48/63/82/1047486382.db2.gz MSDIXUXDEQYHNX-UHFFFAOYSA-N 1 3 339.321 4.017 20 0 EIADHO CCN(CC)CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036842390 1047486412 /nfs/dbraw/zinc/48/64/12/1047486412.db2.gz MSDIXUXDEQYHNX-UHFFFAOYSA-N 1 3 339.321 4.017 20 0 EIADHO C[NH+]1CCC2(CCN(Cc3ccc(C(F)(F)F)c(Cl)c3)C2)CC1 ZINC001143809993 1048222365 /nfs/dbraw/zinc/22/23/65/1048222365.db2.gz JRBXXXZPSIGXNH-UHFFFAOYSA-N 1 3 346.824 4.277 20 0 EIADHO Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809739109 1048511041 /nfs/dbraw/zinc/51/10/41/1048511041.db2.gz XQSIOQZIBHJHRW-UHFFFAOYSA-N 1 3 348.494 4.079 20 0 EIADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000815574887 1048538298 /nfs/dbraw/zinc/53/82/98/1048538298.db2.gz GCAOCGSDXIXNCY-QGZVFWFLSA-N 1 3 344.474 4.315 20 0 EIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000817982285 1049077014 /nfs/dbraw/zinc/07/70/14/1049077014.db2.gz QWRZERFNXDURNX-LAUBAEHRSA-N 1 3 334.467 4.003 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1(C)C ZINC001170908929 1049174185 /nfs/dbraw/zinc/17/41/85/1049174185.db2.gz RANFQHXZUSOCBB-OAHLLOKOSA-N 1 3 334.935 4.438 20 0 EIADHO FC1(F)CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716716087 1049703105 /nfs/dbraw/zinc/70/31/05/1049703105.db2.gz ZNVYCAGQONXAJS-UHOSZYNNSA-N 1 3 334.454 4.207 20 0 EIADHO CN1C(C)(C)CC([NH2+]C2(Cc3ccccc3)CCOCC2)CC1(C)C ZINC001171630354 1049762624 /nfs/dbraw/zinc/76/26/24/1049762624.db2.gz NTSRTXXDSDLAFE-UHFFFAOYSA-N 1 3 344.543 4.019 20 0 EIADHO Cc1cc(C)cc(OC[C@@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171614503 1049765645 /nfs/dbraw/zinc/76/56/45/1049765645.db2.gz ZJPUOSZBHMSBJL-QGZVFWFLSA-N 1 3 332.532 4.312 20 0 EIADHO C[NH+]1C(C)(C)CC(NCCSCc2ccc(F)cc2)CC1(C)C ZINC001171620198 1049766453 /nfs/dbraw/zinc/76/64/53/1049766453.db2.gz YSHJQFLUVXTEKU-UHFFFAOYSA-N 1 3 338.536 4.300 20 0 EIADHO CN1C(C)(C)CC([NH2+]CCSCc2ccc(F)cc2)CC1(C)C ZINC001171620198 1049766461 /nfs/dbraw/zinc/76/64/61/1049766461.db2.gz YSHJQFLUVXTEKU-UHFFFAOYSA-N 1 3 338.536 4.300 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706776 1049776546 /nfs/dbraw/zinc/77/65/46/1049776546.db2.gz MACDXJRERGAPMZ-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706776 1049776548 /nfs/dbraw/zinc/77/65/48/1049776548.db2.gz MACDXJRERGAPMZ-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706776 1049776552 /nfs/dbraw/zinc/77/65/52/1049776552.db2.gz MACDXJRERGAPMZ-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706776 1049776554 /nfs/dbraw/zinc/77/65/54/1049776554.db2.gz MACDXJRERGAPMZ-OTWHNJEPSA-N 1 3 348.481 4.161 20 0 EIADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1(C)C ZINC001171639985 1049779453 /nfs/dbraw/zinc/77/94/53/1049779453.db2.gz XPQDKCGZUGCJEG-SFHVURJKSA-N 1 3 347.572 4.290 20 0 EIADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1(C)C ZINC001171639985 1049779463 /nfs/dbraw/zinc/77/94/63/1049779463.db2.gz XPQDKCGZUGCJEG-SFHVURJKSA-N 1 3 347.572 4.290 20 0 EIADHO C[NH+]1C(C)(C)CC(N2CCC[C@H](Sc3ccncc3)C2)CC1(C)C ZINC001171639985 1049779470 /nfs/dbraw/zinc/77/94/70/1049779470.db2.gz XPQDKCGZUGCJEG-SFHVURJKSA-N 1 3 347.572 4.290 20 0 EIADHO Cc1ccccc1[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccncc1 ZINC001172099944 1049849867 /nfs/dbraw/zinc/84/98/67/1049849867.db2.gz NVKSIITYDMAWCP-XAPVIXHLSA-N 1 3 335.495 4.084 20 0 EIADHO Cc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172064422 1049850988 /nfs/dbraw/zinc/85/09/88/1049850988.db2.gz FWAARLMTZRFKDY-DKUWSORSSA-N 1 3 335.495 4.065 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3cc(Br)ccc31)C2 ZINC001172104950 1049856373 /nfs/dbraw/zinc/85/63/73/1049856373.db2.gz FDJSZGYSRQHTBC-KYHPRHEASA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3cc(Br)ccc31)C2 ZINC001172104950 1049856374 /nfs/dbraw/zinc/85/63/74/1049856374.db2.gz FDJSZGYSRQHTBC-KYHPRHEASA-N 1 3 349.316 4.041 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001172103746 1049856897 /nfs/dbraw/zinc/85/68/97/1049856897.db2.gz XDUHJBGCTDZDSX-RVMXOQNASA-N 1 3 343.334 4.177 20 0 EIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001172103746 1049856901 /nfs/dbraw/zinc/85/69/01/1049856901.db2.gz XDUHJBGCTDZDSX-RVMXOQNASA-N 1 3 343.334 4.177 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC=C(c3ccc(Cl)cc3)CC1)C2 ZINC001172114996 1049858643 /nfs/dbraw/zinc/85/86/43/1049858643.db2.gz TVOLVQRZIOTQGH-ACDBMABISA-N 1 3 330.903 4.444 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC=C(c3ccc(Cl)cc3)CC1)C2 ZINC001172114996 1049858644 /nfs/dbraw/zinc/85/86/44/1049858644.db2.gz TVOLVQRZIOTQGH-ACDBMABISA-N 1 3 330.903 4.444 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC=C(c3ccc(Cl)cc3)CC1)C2 ZINC001172114999 1049858972 /nfs/dbraw/zinc/85/89/72/1049858972.db2.gz TVOLVQRZIOTQGH-PMOLBWCYSA-N 1 3 330.903 4.444 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC=C(c3ccc(Cl)cc3)CC1)C2 ZINC001172114999 1049858978 /nfs/dbraw/zinc/85/89/78/1049858978.db2.gz TVOLVQRZIOTQGH-PMOLBWCYSA-N 1 3 330.903 4.444 20 0 EIADHO CN(Cc1ccccc1C(F)(F)F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124218 1049860285 /nfs/dbraw/zinc/86/02/85/1049860285.db2.gz JNXPDKIXEMJQLE-MUJYYYPQSA-N 1 3 326.406 4.153 20 0 EIADHO CN(Cc1ccccc1C(F)(F)F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124218 1049860287 /nfs/dbraw/zinc/86/02/87/1049860287.db2.gz JNXPDKIXEMJQLE-MUJYYYPQSA-N 1 3 326.406 4.153 20 0 EIADHO COc1cc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC000152664324 1049906362 /nfs/dbraw/zinc/90/63/62/1049906362.db2.gz HKUZRWFLFUWKED-INIZCTEOSA-N 1 3 342.458 4.281 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Br)s2)C1 ZINC000246902214 1050005135 /nfs/dbraw/zinc/00/51/35/1050005135.db2.gz FLKUXUWKOIVNGJ-OLZOCXBDSA-N 1 3 345.350 4.282 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)C1 ZINC000246902595 1050005236 /nfs/dbraw/zinc/00/52/36/1050005236.db2.gz FWKAEEXJTUXSQM-QZTJIDSGSA-N 1 3 338.495 4.355 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(SCC(F)(F)F)cc2)C1 ZINC000247114671 1050013548 /nfs/dbraw/zinc/01/35/48/1050013548.db2.gz QVDKKCRJVVTASO-KGLIPLIRSA-N 1 3 346.462 4.333 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)s2)[C@H](C)C1 ZINC000248174435 1050045535 /nfs/dbraw/zinc/04/55/35/1050045535.db2.gz VJBVKJMUFCTYPB-RYRKJORJSA-N 1 3 338.561 4.098 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(CC)s2)[C@H](C)C1 ZINC000248174435 1050045539 /nfs/dbraw/zinc/04/55/39/1050045539.db2.gz VJBVKJMUFCTYPB-RYRKJORJSA-N 1 3 338.561 4.098 20 0 EIADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001172832722 1050168766 /nfs/dbraw/zinc/16/87/66/1050168766.db2.gz UJLQRSBNSYQHPL-QFIPXVFZSA-N 1 3 326.528 4.097 20 0 EIADHO CC(C)c1nc(CNCCCC[N@@H+]2CCCC[C@H]2C)c2ccccn21 ZINC001177299492 1050180835 /nfs/dbraw/zinc/18/08/35/1050180835.db2.gz SIKJLBATCCSDFS-GOSISDBHSA-N 1 3 342.531 4.202 20 0 EIADHO CC(C)c1nc(CNCCCC[N@H+]2CCCC[C@H]2C)c2ccccn21 ZINC001177299492 1050180839 /nfs/dbraw/zinc/18/08/39/1050180839.db2.gz SIKJLBATCCSDFS-GOSISDBHSA-N 1 3 342.531 4.202 20 0 EIADHO COc1cc(C)ccc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001177548593 1050250194 /nfs/dbraw/zinc/25/01/94/1050250194.db2.gz KWURWVKNTJYBCT-FQEVSTJZSA-N 1 3 338.495 4.005 20 0 EIADHO COc1ccc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC001177920118 1050328687 /nfs/dbraw/zinc/32/86/87/1050328687.db2.gz QOWRSFDKPXFVTA-XLIONFOSSA-N 1 3 344.524 4.238 20 0 EIADHO COc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC001177920118 1050328689 /nfs/dbraw/zinc/32/86/89/1050328689.db2.gz QOWRSFDKPXFVTA-XLIONFOSSA-N 1 3 344.524 4.238 20 0 EIADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CCC)CCC2)CC1 ZINC001178180703 1050397466 /nfs/dbraw/zinc/39/74/66/1050397466.db2.gz FYAVEIOUFKOKQO-UHFFFAOYSA-N 1 3 343.559 4.279 20 0 EIADHO CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCCN3Cc3c(C)noc3C)CC2)C1 ZINC001173284388 1050410193 /nfs/dbraw/zinc/41/01/93/1050410193.db2.gz ZNLMFJFMJWUCDC-RTBURBONSA-N 1 3 345.531 4.301 20 0 EIADHO C[C@H]([NH2+]Cc1cccc2ccoc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001178330267 1050436398 /nfs/dbraw/zinc/43/63/98/1050436398.db2.gz ALMSVPXXIXCOGO-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](NCc1cccc2ccoc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178330267 1050436402 /nfs/dbraw/zinc/43/64/02/1050436402.db2.gz ALMSVPXXIXCOGO-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](NCc1cccc2ccoc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178330267 1050436411 /nfs/dbraw/zinc/43/64/11/1050436411.db2.gz ALMSVPXXIXCOGO-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H](C)c2cccnc2)ccc1OC ZINC000182226503 1050564291 /nfs/dbraw/zinc/56/42/91/1050564291.db2.gz OKJCBFHDFAZUBY-DLBZAZTESA-N 1 3 341.499 4.344 20 0 EIADHO CC1(C)CCC[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001179094879 1050632764 /nfs/dbraw/zinc/63/27/64/1050632764.db2.gz DIQFPJOPMADHCA-FQEVSTJZSA-N 1 3 329.532 4.100 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000075809914 1050674354 /nfs/dbraw/zinc/67/43/54/1050674354.db2.gz IYRUQKMLMHCKLY-UHFFFAOYSA-N 1 3 348.494 4.004 20 0 EIADHO C[C@@H](NCc1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152911149 1050882751 /nfs/dbraw/zinc/88/27/51/1050882751.db2.gz GCMDDNNLNVUADW-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001180302568 1050945693 /nfs/dbraw/zinc/94/56/93/1050945693.db2.gz ZLYNMXDPUBINFN-XYEHWOGUSA-N 1 3 326.528 4.455 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)ccc1OC ZINC000183130337 1050987486 /nfs/dbraw/zinc/98/74/86/1050987486.db2.gz HOEWWQAIHPAKRH-DLBZAZTESA-N 1 3 348.531 4.003 20 0 EIADHO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(N3CCCCC3)CC2)C1 ZINC001180540034 1051028759 /nfs/dbraw/zinc/02/87/59/1051028759.db2.gz FVJWQLOCJVAOIS-VXKWHMMOSA-N 1 3 326.528 4.447 20 0 EIADHO C[C@]1(c2ccccc2)CC[C@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001180540034 1051028771 /nfs/dbraw/zinc/02/87/71/1051028771.db2.gz FVJWQLOCJVAOIS-VXKWHMMOSA-N 1 3 326.528 4.447 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)SC)cc1CN1CCCCC1 ZINC000183378209 1051102621 /nfs/dbraw/zinc/10/26/21/1051102621.db2.gz WTMDLUBOAOHFFD-JKSUJKDBSA-N 1 3 336.545 4.083 20 0 EIADHO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1)C(C)C ZINC000775394334 1051207878 /nfs/dbraw/zinc/20/78/78/1051207878.db2.gz QJHFFJAVBCQKMM-PXNSSMCTSA-N 1 3 348.531 4.003 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1CN1CCCCC1 ZINC000775395813 1051210355 /nfs/dbraw/zinc/21/03/55/1051210355.db2.gz MKFJRVKWBZSWRZ-APWZRJJASA-N 1 3 348.556 4.227 20 0 EIADHO CC[N@H+](CCCN1CCCC1)Cc1cc2ccccc2c(OC)c1 ZINC001181506616 1051243486 /nfs/dbraw/zinc/24/34/86/1051243486.db2.gz SYYKYKWQAULUGB-UHFFFAOYSA-N 1 3 326.484 4.156 20 0 EIADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2ccccc2c(OC)c1 ZINC001181506616 1051243497 /nfs/dbraw/zinc/24/34/97/1051243497.db2.gz SYYKYKWQAULUGB-UHFFFAOYSA-N 1 3 326.484 4.156 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(C)CCOCC2)ccc1OC ZINC000775416678 1051291910 /nfs/dbraw/zinc/29/19/10/1051291910.db2.gz WREPXEPLDLFCGF-KRWDZBQOSA-N 1 3 348.531 4.004 20 0 EIADHO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311188772 1051470286 /nfs/dbraw/zinc/47/02/86/1051470286.db2.gz DJWVWNJTRNVTPU-QUCCMNQESA-N 1 3 338.495 4.176 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521356 1051472487 /nfs/dbraw/zinc/47/24/87/1051472487.db2.gz PYFYREOFWSGLPC-RXVVDRJESA-N 1 3 344.543 4.169 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521356 1051472495 /nfs/dbraw/zinc/47/24/95/1051472495.db2.gz PYFYREOFWSGLPC-RXVVDRJESA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521356 1051472507 /nfs/dbraw/zinc/47/25/07/1051472507.db2.gz PYFYREOFWSGLPC-RXVVDRJESA-N 1 3 344.543 4.169 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCOc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001191521356 1051472517 /nfs/dbraw/zinc/47/25/17/1051472517.db2.gz PYFYREOFWSGLPC-RXVVDRJESA-N 1 3 344.543 4.169 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158097946 1051708823 /nfs/dbraw/zinc/70/88/23/1051708823.db2.gz HVYGODQRFLCXCG-HIFRSBDPSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158097946 1051708836 /nfs/dbraw/zinc/70/88/36/1051708836.db2.gz HVYGODQRFLCXCG-HIFRSBDPSA-N 1 3 347.503 4.250 20 0 EIADHO CCc1ccccc1CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001193095561 1051876710 /nfs/dbraw/zinc/87/67/10/1051876710.db2.gz YWBAEHCFDNRNQZ-RTBURBONSA-N 1 3 336.523 4.495 20 0 EIADHO C[C@H]1CCN(Cc2c(Cl)cccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC001205628564 1051914960 /nfs/dbraw/zinc/91/49/60/1051914960.db2.gz VZXUTCYMPLUGOM-RYUDHWBXSA-N 1 3 334.813 4.166 20 0 EIADHO C[NH+](C)CC[C@H](N[C@@H]1CC[C@@](C)(c2ccccc2)C1)c1cccnc1 ZINC001183919252 1051927310 /nfs/dbraw/zinc/92/73/10/1051927310.db2.gz HXVPKHKAUOOSPB-BHIFYINESA-N 1 3 337.511 4.174 20 0 EIADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)CC2CCCCCC2)CC1 ZINC001193474036 1051929000 /nfs/dbraw/zinc/92/90/00/1051929000.db2.gz UDDLBLLUWFUWEP-UHFFFAOYSA-N 1 3 337.596 4.131 20 0 EIADHO CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CCC1 ZINC000716731038 1051980879 /nfs/dbraw/zinc/98/08/79/1051980879.db2.gz JFDWZDGUZJSWDB-JBACZVJFSA-N 1 3 326.528 4.455 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000164485705 1052031109 /nfs/dbraw/zinc/03/11/09/1052031109.db2.gz IDYZMUHEWQIWHR-OAHLLOKOSA-N 1 3 336.545 4.332 20 0 EIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000171128138 1052396097 /nfs/dbraw/zinc/39/60/97/1052396097.db2.gz UOQRJMCCWNCNNC-AWEZNQCLSA-N 1 3 334.410 4.200 20 0 EIADHO CC(C)Oc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171129378 1052396468 /nfs/dbraw/zinc/39/64/68/1052396468.db2.gz ZSOIHAHBPAQEGW-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO c1[nH]nc2cccc(CNCc3cccc(C[NH+]4CCCCCC4)c3)c12 ZINC000623385955 1052641640 /nfs/dbraw/zinc/64/16/40/1052641640.db2.gz DVHPMKUHNWIOIA-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO c1[nH]nc2cccc(CNCc3ccccc3C[NH+]3CCCCCC3)c12 ZINC000623416606 1052650963 /nfs/dbraw/zinc/65/09/63/1052650963.db2.gz AVCFSNHAFUZXIY-UHFFFAOYSA-N 1 3 348.494 4.229 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000624112847 1052866139 /nfs/dbraw/zinc/86/61/39/1052866139.db2.gz NHDFNVCOWVQAJD-XLIONFOSSA-N 1 3 343.559 4.300 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c2ccccc12 ZINC000624119586 1052867451 /nfs/dbraw/zinc/86/74/51/1052867451.db2.gz FNMQOZKBFSLDEJ-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@H](C)NC[C@H]2CCCC[N@H+](C)C2)c2ccccc12 ZINC000624119586 1052867453 /nfs/dbraw/zinc/86/74/53/1052867453.db2.gz FNMQOZKBFSLDEJ-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c2ccccc12 ZINC000624119586 1052867456 /nfs/dbraw/zinc/86/74/56/1052867456.db2.gz FNMQOZKBFSLDEJ-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)c(C)c2c1 ZINC000624121118 1052867667 /nfs/dbraw/zinc/86/76/67/1052867667.db2.gz ONPHRCZXDGMQSN-HOTGVXAUSA-N 1 3 330.472 4.132 20 0 EIADHO CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000385805307 1053550343 /nfs/dbraw/zinc/55/03/43/1053550343.db2.gz NHLNJVUOKPDENL-NQIIRXRSSA-N 1 3 338.495 4.086 20 0 EIADHO C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000386238406 1053645376 /nfs/dbraw/zinc/64/53/76/1053645376.db2.gz BOAPTJQWEWMOHV-XLIONFOSSA-N 1 3 334.463 4.433 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866250230 1053664892 /nfs/dbraw/zinc/66/48/92/1053664892.db2.gz WZLFIKXHXNSQOB-CYBMUJFWSA-N 1 3 335.879 4.396 20 0 EIADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559696 1054085103 /nfs/dbraw/zinc/08/51/03/1054085103.db2.gz SMUOPAJPWAIMNW-NQIIRXRSSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856559696 1054085116 /nfs/dbraw/zinc/08/51/16/1054085116.db2.gz SMUOPAJPWAIMNW-NQIIRXRSSA-N 1 3 347.547 4.057 20 0 EIADHO CCOc1cccc([C@@H](C)NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000123940362 1054380378 /nfs/dbraw/zinc/38/03/78/1054380378.db2.gz OFFODTACZPTHFY-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO CCOc1cccc([C@@H](C)NCc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000123940362 1054380409 /nfs/dbraw/zinc/38/04/09/1054380409.db2.gz OFFODTACZPTHFY-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO CC[C@@H](CCC(F)(F)F)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000872085449 1054382413 /nfs/dbraw/zinc/38/24/13/1054382413.db2.gz NNOYLBXPOPEVMN-KRWDZBQOSA-N 1 3 343.437 4.004 20 0 EIADHO COc1ccc(CNCc2ccccc2C[N@H+](C)C(C)C)cc1Cl ZINC001199296540 1054383151 /nfs/dbraw/zinc/38/31/51/1054383151.db2.gz VHAFOIRPVLYRMS-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO COc1ccc(CNCc2ccccc2C[N@@H+](C)C(C)C)cc1Cl ZINC001199296540 1054383157 /nfs/dbraw/zinc/38/31/57/1054383157.db2.gz VHAFOIRPVLYRMS-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO c1sc(C[NH2+]C2CCN(CC3CC3)CC2)cc1-c1ccccc1 ZINC001199413497 1054408949 /nfs/dbraw/zinc/40/89/49/1054408949.db2.gz PFKVDZGESJRLJY-UHFFFAOYSA-N 1 3 326.509 4.379 20 0 EIADHO CSc1cccc([C@@H](NC[C@H]2C[C@H]([NH3+])C2)c2cc(F)ccc2F)c1 ZINC000873255249 1054515949 /nfs/dbraw/zinc/51/59/49/1054515949.db2.gz FJTVXWJUDIXGCC-KPAZRMRSSA-N 1 3 348.462 4.103 20 0 EIADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](CCc1ccccc1)CC2 ZINC001201596276 1054847314 /nfs/dbraw/zinc/84/73/14/1054847314.db2.gz BXKURMGJRGDNBA-NRFANRHFSA-N 1 3 338.495 4.199 20 0 EIADHO C[C@H]([NH2+]C/C=C/c1cccc(F)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001201705173 1054882534 /nfs/dbraw/zinc/88/25/34/1054882534.db2.gz XGJFNCNFSCXVHX-SHDQBEOMSA-N 1 3 338.470 4.339 20 0 EIADHO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000119148413 1055121384 /nfs/dbraw/zinc/12/13/84/1055121384.db2.gz DKXSCJPQAQVQKD-QGZVFWFLSA-N 1 3 330.516 4.013 20 0 EIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000386483102 1060269062 /nfs/dbraw/zinc/26/90/62/1060269062.db2.gz WLRQDPIDGSNHHW-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000386483102 1060269088 /nfs/dbraw/zinc/26/90/88/1060269088.db2.gz WLRQDPIDGSNHHW-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC001169110502 1060658199 /nfs/dbraw/zinc/65/81/99/1060658199.db2.gz LVSRREZYZJLHHH-WCXIOVBPSA-N 1 3 337.305 4.115 20 0 EIADHO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001169110502 1060658201 /nfs/dbraw/zinc/65/82/01/1060658201.db2.gz LVSRREZYZJLHHH-WCXIOVBPSA-N 1 3 337.305 4.115 20 0 EIADHO CC[C@H](C)Oc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1OC ZINC000666755301 1032499653 /nfs/dbraw/zinc/49/96/53/1032499653.db2.gz KMCOEADNZASEOO-JKSUJKDBSA-N 1 3 342.483 4.182 20 0 EIADHO Cc1ccnc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503701 1032533267 /nfs/dbraw/zinc/53/32/67/1032533267.db2.gz XKQUPZFVWOQRHZ-KBXCAEBGSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1ccnc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000536503701 1032533272 /nfs/dbraw/zinc/53/32/72/1032533272.db2.gz XKQUPZFVWOQRHZ-KBXCAEBGSA-N 1 3 333.838 4.287 20 0 EIADHO c1cc2c(o1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000178800269 1032540722 /nfs/dbraw/zinc/54/07/22/1032540722.db2.gz PIOQHRLTOHCOBX-SMLSOGCJSA-N 1 3 336.479 4.442 20 0 EIADHO C[C@H](c1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661327 1032830044 /nfs/dbraw/zinc/83/00/44/1032830044.db2.gz CHIBTHAKEVSHST-CRAIPNDOSA-N 1 3 340.433 4.270 20 0 EIADHO C[C@H](c1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661327 1032830056 /nfs/dbraw/zinc/83/00/56/1032830056.db2.gz CHIBTHAKEVSHST-CRAIPNDOSA-N 1 3 340.433 4.270 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000340470027 1021073920 /nfs/dbraw/zinc/07/39/20/1021073920.db2.gz YVBPBRCRLUBDKH-NRFANRHFSA-N 1 3 338.495 4.401 20 0 EIADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225598 1021777932 /nfs/dbraw/zinc/77/79/32/1021777932.db2.gz UTMDEGDQYQEHMI-IEBWSBKVSA-N 1 3 332.536 4.133 20 0 EIADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225598 1021777952 /nfs/dbraw/zinc/77/79/52/1021777952.db2.gz UTMDEGDQYQEHMI-IEBWSBKVSA-N 1 3 332.536 4.133 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000177977853 1021837731 /nfs/dbraw/zinc/83/77/31/1021837731.db2.gz VIYSAWJWQVKZMK-KRWDZBQOSA-N 1 3 338.495 4.313 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000177977853 1021837733 /nfs/dbraw/zinc/83/77/33/1021837733.db2.gz VIYSAWJWQVKZMK-KRWDZBQOSA-N 1 3 338.495 4.313 20 0 EIADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cc3ccccc3[nH]2)CC1 ZINC000683929440 1021996412 /nfs/dbraw/zinc/99/64/12/1021996412.db2.gz LRYUMBZXYBLXQA-KRWDZBQOSA-N 1 3 333.479 4.483 20 0 EIADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182579 1022056891 /nfs/dbraw/zinc/05/68/91/1022056891.db2.gz MWVJOXUYTMBSTE-MSOLQXFVSA-N 1 3 339.483 4.256 20 0 EIADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000414182579 1022056910 /nfs/dbraw/zinc/05/69/10/1022056910.db2.gz MWVJOXUYTMBSTE-MSOLQXFVSA-N 1 3 339.483 4.256 20 0 EIADHO COc1ccsc1[C@H](C)[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000471580444 1022062925 /nfs/dbraw/zinc/06/29/25/1022062925.db2.gz IFUKFAYONTXUKZ-HOTGVXAUSA-N 1 3 332.513 4.318 20 0 EIADHO COc1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C ZINC000580945762 1022735452 /nfs/dbraw/zinc/73/54/52/1022735452.db2.gz ZVIQVSWXRBGARS-PXNSSMCTSA-N 1 3 344.524 4.238 20 0 EIADHO COc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1C ZINC000580945762 1022735462 /nfs/dbraw/zinc/73/54/62/1022735462.db2.gz ZVIQVSWXRBGARS-PXNSSMCTSA-N 1 3 344.524 4.238 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCCS2)ccc1OC ZINC000183107387 1022846627 /nfs/dbraw/zinc/84/66/27/1022846627.db2.gz OSGZIQKRHAFHDR-MAUKXSAKSA-N 1 3 336.545 4.083 20 0 EIADHO Clc1cccc2c1SCC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423388966 1022864687 /nfs/dbraw/zinc/86/46/87/1022864687.db2.gz NUUOMDNBIGTUTC-QGZVFWFLSA-N 1 3 330.884 4.270 20 0 EIADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000415014149 1023395326 /nfs/dbraw/zinc/39/53/26/1023395326.db2.gz LMDKTYVZBLAIPK-GHMZBOCLSA-N 1 3 339.302 4.003 20 0 EIADHO Cc1noc(C)c1[C@H](C)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925616296 1023402123 /nfs/dbraw/zinc/40/21/23/1023402123.db2.gz QQAZWZJTCFSUSS-FTRWYGJKSA-N 1 3 341.499 4.243 20 0 EIADHO Cc1noc(C)c1[C@H](C)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000925616296 1023402127 /nfs/dbraw/zinc/40/21/27/1023402127.db2.gz QQAZWZJTCFSUSS-FTRWYGJKSA-N 1 3 341.499 4.243 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000656683485 1023431250 /nfs/dbraw/zinc/43/12/50/1023431250.db2.gz MCMFIKVCUAORCP-INIZCTEOSA-N 1 3 343.902 4.298 20 0 EIADHO Cc1ccc(C)c([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000656682343 1023433940 /nfs/dbraw/zinc/43/39/40/1023433940.db2.gz BIZSZECUNRCVBH-IBGZPJMESA-N 1 3 337.511 4.261 20 0 EIADHO Brc1ccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000415090351 1023434226 /nfs/dbraw/zinc/43/42/26/1023434226.db2.gz ZBMXOSARXIWCHD-IAGOWNOFSA-N 1 3 337.305 4.022 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OC(F)F)c1 ZINC000119864855 1023440117 /nfs/dbraw/zinc/44/01/17/1023440117.db2.gz PDMOGTDOQRVIKY-ZDUSSCGKSA-N 1 3 326.431 4.202 20 0 EIADHO Cc1nc([C@H](C)NCC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000397532262 1023454249 /nfs/dbraw/zinc/45/42/49/1023454249.db2.gz ZZBGRGKTVSOJNU-HNNXBMFYSA-N 1 3 343.540 4.323 20 0 EIADHO c1sc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)nc1-c1ccccc1 ZINC000656784833 1023531241 /nfs/dbraw/zinc/53/12/41/1023531241.db2.gz HSQOAODBBXUUGG-SFHVURJKSA-N 1 3 341.524 4.022 20 0 EIADHO COc1ccc([C@H](C)[NH2+]CC2(SC)CC2)cc1CN1CCCCC1 ZINC000193820322 1023728366 /nfs/dbraw/zinc/72/83/66/1023728366.db2.gz DKEXFMJMWNYNMV-INIZCTEOSA-N 1 3 348.556 4.227 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]CC2(SC)CC2)cc1CN1CCCCC1 ZINC000193820334 1023728686 /nfs/dbraw/zinc/72/86/86/1023728686.db2.gz DKEXFMJMWNYNMV-MRXNPFEDSA-N 1 3 348.556 4.227 20 0 EIADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000500420901 1023815163 /nfs/dbraw/zinc/81/51/63/1023815163.db2.gz LYNUFAJNEXCBOS-SFKKXYGYSA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000500420901 1023815165 /nfs/dbraw/zinc/81/51/65/1023815165.db2.gz LYNUFAJNEXCBOS-SFKKXYGYSA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000500420901 1023815167 /nfs/dbraw/zinc/81/51/67/1023815167.db2.gz LYNUFAJNEXCBOS-SFKKXYGYSA-N 1 3 340.433 4.430 20 0 EIADHO C[C@H](c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661337 1024004863 /nfs/dbraw/zinc/00/48/63/1024004863.db2.gz CHIBTHAKEVSHST-QAPCUYQASA-N 1 3 340.433 4.270 20 0 EIADHO C[C@H](c1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1)C(F)(F)F ZINC000660661337 1024004877 /nfs/dbraw/zinc/00/48/77/1024004877.db2.gz CHIBTHAKEVSHST-QAPCUYQASA-N 1 3 340.433 4.270 20 0 EIADHO c1ccc2sc([C@H]3CCC[N@@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000548394683 1024188406 /nfs/dbraw/zinc/18/84/06/1024188406.db2.gz DBQZRZCUYRYZQH-KRWDZBQOSA-N 1 3 343.540 4.352 20 0 EIADHO c1ccc2sc([C@H]3CCC[N@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000548394683 1024188414 /nfs/dbraw/zinc/18/84/14/1024188414.db2.gz DBQZRZCUYRYZQH-KRWDZBQOSA-N 1 3 343.540 4.352 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3cc(F)ccc32)c1 ZINC000341705148 1024354720 /nfs/dbraw/zinc/35/47/20/1024354720.db2.gz IRRVLOHIEYSTLB-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3cc(F)ccc32)c1 ZINC000341705148 1024354735 /nfs/dbraw/zinc/35/47/35/1024354735.db2.gz IRRVLOHIEYSTLB-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000341758602 1024616267 /nfs/dbraw/zinc/61/62/67/1024616267.db2.gz BQQXREDGYBKZCX-GOSISDBHSA-N 1 3 334.891 4.018 20 0 EIADHO c1cc(C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)no1 ZINC000662049167 1024835499 /nfs/dbraw/zinc/83/54/99/1024835499.db2.gz UBNAJYIRROVUTJ-UHFFFAOYSA-N 1 3 339.483 4.040 20 0 EIADHO FC(F)(F)C1CCC(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663346948 1025143660 /nfs/dbraw/zinc/14/36/60/1025143660.db2.gz YKKGRYCBZUZCRM-ARWYELJZSA-N 1 3 332.454 4.067 20 0 EIADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466261 1025390898 /nfs/dbraw/zinc/39/08/98/1025390898.db2.gz QDVIOSJHQTXFLR-WMZOPIPTSA-N 1 3 326.484 4.075 20 0 EIADHO Clc1cccc(C2CC([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)c1 ZINC000663466628 1025399006 /nfs/dbraw/zinc/39/90/06/1025399006.db2.gz WDABFGAASSKFTG-PPDQVPDSSA-N 1 3 332.919 4.298 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2occc2c1 ZINC000511995493 1025596538 /nfs/dbraw/zinc/59/65/38/1025596538.db2.gz ABNDZKZARBUYFV-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2occc2c1 ZINC000511995493 1025596546 /nfs/dbraw/zinc/59/65/46/1025596546.db2.gz ABNDZKZARBUYFV-UWJYYQICSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2occc2c1 ZINC000511995491 1025599860 /nfs/dbraw/zinc/59/98/60/1025599860.db2.gz ABNDZKZARBUYFV-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2occc2c1 ZINC000511995491 1025599906 /nfs/dbraw/zinc/59/99/06/1025599906.db2.gz ABNDZKZARBUYFV-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO c1cncc([C@@H]2CCC[C@H]([NH2+]C3CCN(CC4CCCC4)CC3)C2)c1 ZINC000500449339 1025692128 /nfs/dbraw/zinc/69/21/28/1025692128.db2.gz YXMRQDFBHAFWKO-KNQAVFIVSA-N 1 3 341.543 4.352 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2cc(COC)cs2)cc1 ZINC000657296833 1025763361 /nfs/dbraw/zinc/76/33/61/1025763361.db2.gz ILDCBSTWJUWJEW-UHFFFAOYSA-N 1 3 332.513 4.026 20 0 EIADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1cccc(Cl)c1Cl ZINC001167509506 1025815077 /nfs/dbraw/zinc/81/50/77/1025815077.db2.gz OHWLKPOWKDPJSF-OAHLLOKOSA-N 1 3 329.315 4.342 20 0 EIADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1cccc(Cl)c1Cl ZINC001167509506 1025815082 /nfs/dbraw/zinc/81/50/82/1025815082.db2.gz OHWLKPOWKDPJSF-OAHLLOKOSA-N 1 3 329.315 4.342 20 0 EIADHO CCC[C@H](C(=O)c1ccccc1)N(C)[C@H](C)CCC[NH+](CC)CC ZINC001167835293 1025836498 /nfs/dbraw/zinc/83/64/98/1025836498.db2.gz RBOJGSXQGMSUTF-UYAOXDASSA-N 1 3 332.532 4.480 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N(Cc1cc(C)no1)Cc1ccccc1 ZINC001167841998 1025893187 /nfs/dbraw/zinc/89/31/87/1025893187.db2.gz VNSWKQRDVBZVTP-IBGZPJMESA-N 1 3 343.515 4.496 20 0 EIADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc2ccccc2o1 ZINC000048683748 1026155411 /nfs/dbraw/zinc/15/54/11/1026155411.db2.gz OXMZUQQQGQNUNW-MRXNPFEDSA-N 1 3 338.451 4.224 20 0 EIADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000162930492 1026330299 /nfs/dbraw/zinc/33/02/99/1026330299.db2.gz NTJRAMOGRJNWEP-SFHVURJKSA-N 1 3 341.524 4.215 20 0 EIADHO CCOc1ccc([C@@H](CC)NC2CC[NH+](C3CC3)CC2)cc1OCC ZINC000119718942 1026395918 /nfs/dbraw/zinc/39/59/18/1026395918.db2.gz XQMQZGBHOMWVNE-LJQANCHMSA-N 1 3 346.515 4.152 20 0 EIADHO CCCOc1cc(CN2CCC(C[NH+](CC)CC)CC2)ccc1OC ZINC000506883415 1026487028 /nfs/dbraw/zinc/48/70/28/1026487028.db2.gz GBLZRFFZBHMLJJ-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO CCN1CC[C@@H](C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000582457712 1026666810 /nfs/dbraw/zinc/66/68/10/1026666810.db2.gz BHZWWKYVCGKOFB-QFIPXVFZSA-N 1 3 336.523 4.019 20 0 EIADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000563361629 1026668233 /nfs/dbraw/zinc/66/82/33/1026668233.db2.gz NFENYKNYZVPLFB-IBGZPJMESA-N 1 3 337.511 4.289 20 0 EIADHO C[N@H+]1CCCC[C@H]1CCN1CCC(c2ccnc3ccccc32)CC1 ZINC000563361629 1026668240 /nfs/dbraw/zinc/66/82/40/1026668240.db2.gz NFENYKNYZVPLFB-IBGZPJMESA-N 1 3 337.511 4.289 20 0 EIADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148321 1026750426 /nfs/dbraw/zinc/75/04/26/1026750426.db2.gz XOKFCLNKPINFAN-FUHWJXTLSA-N 1 3 340.433 4.369 20 0 EIADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148321 1026750435 /nfs/dbraw/zinc/75/04/35/1026750435.db2.gz XOKFCLNKPINFAN-FUHWJXTLSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148321 1026750444 /nfs/dbraw/zinc/75/04/44/1026750444.db2.gz XOKFCLNKPINFAN-FUHWJXTLSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148321 1026750454 /nfs/dbraw/zinc/75/04/54/1026750454.db2.gz XOKFCLNKPINFAN-FUHWJXTLSA-N 1 3 340.433 4.369 20 0 EIADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H](c4cccnc4)C4CC4)[C@H]3C2)cc1 ZINC000507463486 1026804319 /nfs/dbraw/zinc/80/43/19/1026804319.db2.gz UCGSBTBJCOGUAY-CWBXHPNXSA-N 1 3 347.506 4.033 20 0 EIADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H](c4cccnc4)C4CC4)[C@H]3C2)cc1 ZINC000507463486 1026804326 /nfs/dbraw/zinc/80/43/26/1026804326.db2.gz UCGSBTBJCOGUAY-CWBXHPNXSA-N 1 3 347.506 4.033 20 0 EIADHO COc1ccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167995748 1027807801 /nfs/dbraw/zinc/80/78/01/1027807801.db2.gz PORMFVUPRTVAIQ-CZJMCEMMSA-N 1 3 340.511 4.238 20 0 EIADHO COc1ccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167995748 1027807804 /nfs/dbraw/zinc/80/78/04/1027807804.db2.gz PORMFVUPRTVAIQ-CZJMCEMMSA-N 1 3 340.511 4.238 20 0 EIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(OC(F)F)c1 ZINC000123642026 1028082065 /nfs/dbraw/zinc/08/20/65/1028082065.db2.gz CZBHVBLVLJKSBB-AWEZNQCLSA-N 1 3 334.410 4.200 20 0 EIADHO Fc1cccc(Oc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)c1 ZINC000443970352 1028199883 /nfs/dbraw/zinc/19/98/83/1028199883.db2.gz UFLAXWQQCNEMMD-KRWDZBQOSA-N 1 3 340.442 4.192 20 0 EIADHO C[C@H]1C[C@@H](NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000080338940 1028717730 /nfs/dbraw/zinc/71/77/30/1028717730.db2.gz IGFJWDKCVHPEHE-AVRDEDQJSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@@H](NCc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000080338940 1028717752 /nfs/dbraw/zinc/71/77/52/1028717752.db2.gz IGFJWDKCVHPEHE-AVRDEDQJSA-N 1 3 345.490 4.378 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000346870253 1028803299 /nfs/dbraw/zinc/80/32/99/1028803299.db2.gz LSLLFWLRJBCPSN-QZTJIDSGSA-N 1 3 340.515 4.096 20 0 EIADHO Cc1ccc2[nH]c(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c1C ZINC000475225763 1029447983 /nfs/dbraw/zinc/44/79/83/1029447983.db2.gz VJEQLMXRAWTJLB-FQEVSTJZSA-N 1 3 347.506 4.396 20 0 EIADHO Cc1ccc2[nH]c(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000475225763 1029447991 /nfs/dbraw/zinc/44/79/91/1029447991.db2.gz VJEQLMXRAWTJLB-FQEVSTJZSA-N 1 3 347.506 4.396 20 0 EIADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CCN1C ZINC000525207850 1029513976 /nfs/dbraw/zinc/51/39/76/1029513976.db2.gz RFDBKVYVIQJXKK-PBHICJAKSA-N 1 3 336.907 4.234 20 0 EIADHO C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000089552503 1029854637 /nfs/dbraw/zinc/85/46/37/1029854637.db2.gz BKFSJGVMIRCNBW-YCRPNKLZSA-N 1 3 342.458 4.104 20 0 EIADHO C[C@H]([NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C)c1ccc(F)cn1 ZINC000092767896 1029949142 /nfs/dbraw/zinc/94/91/42/1029949142.db2.gz VMPIVZNMVKLLBV-ULQDDVLXSA-N 1 3 341.474 4.028 20 0 EIADHO C[NH+](C)CCC1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000447735130 1030312318 /nfs/dbraw/zinc/31/23/18/1030312318.db2.gz BSOCOBHTJZRKNX-UHFFFAOYSA-N 1 3 326.887 4.075 20 0 EIADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000527232756 1030587648 /nfs/dbraw/zinc/58/76/48/1030587648.db2.gz NULCXCHTZSDAFQ-ZWKOTPCHSA-N 1 3 344.543 4.431 20 0 EIADHO C[C@@H]([NH2+]CCCCOc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000527354934 1030664527 /nfs/dbraw/zinc/66/45/27/1030664527.db2.gz OAFPUEYSCGKFCQ-MOPGFXCFSA-N 1 3 330.516 4.088 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000398037976 1030690433 /nfs/dbraw/zinc/69/04/33/1030690433.db2.gz QOMYXALHUONLMM-FIKGOQFSSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000398037976 1030690444 /nfs/dbraw/zinc/69/04/44/1030690444.db2.gz QOMYXALHUONLMM-FIKGOQFSSA-N 1 3 326.459 4.387 20 0 EIADHO Cc1cc(F)ccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398051034 1030694281 /nfs/dbraw/zinc/69/42/81/1030694281.db2.gz XSMZPGYZINEKAE-UWJYYQICSA-N 1 3 326.459 4.134 20 0 EIADHO Cc1cc(F)ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398051034 1030694288 /nfs/dbraw/zinc/69/42/88/1030694288.db2.gz XSMZPGYZINEKAE-UWJYYQICSA-N 1 3 326.459 4.134 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[C@H]1C ZINC000658164165 1030860058 /nfs/dbraw/zinc/86/00/58/1030860058.db2.gz MUAAOPDCAGWDCV-OPYAIIAOSA-N 1 3 329.532 4.098 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C)cc1 ZINC000658166872 1030863390 /nfs/dbraw/zinc/86/33/90/1030863390.db2.gz QJKYHQZQQQYOLX-JOCHJYFZSA-N 1 3 337.511 4.343 20 0 EIADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167695 1030864025 /nfs/dbraw/zinc/86/40/25/1030864025.db2.gz SZIMGQNHDXHXBD-JPYJTQIMSA-N 1 3 349.522 4.207 20 0 EIADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168344 1030866739 /nfs/dbraw/zinc/86/67/39/1030866739.db2.gz WFJMFANYZRDFMI-LEWJYISDSA-N 1 3 329.532 4.098 20 0 EIADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000658168413 1030866809 /nfs/dbraw/zinc/86/68/09/1030866809.db2.gz WVNFJHVNUUIYHA-VGSWGCGISA-N 1 3 335.495 4.132 20 0 EIADHO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000658320002 1030979483 /nfs/dbraw/zinc/97/94/83/1030979483.db2.gz LPPXBLLDTCDEFJ-PZJWPPBQSA-N 1 3 349.522 4.343 20 0 EIADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000531614317 1031430120 /nfs/dbraw/zinc/43/01/20/1031430120.db2.gz BSAZSHKFOBXINT-KRWDZBQOSA-N 1 3 343.540 4.350 20 0 EIADHO C[C@@H](Cc1ccncc1)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449171455 1031491572 /nfs/dbraw/zinc/49/15/72/1031491572.db2.gz KOCXTUILDTVHOL-KRWDZBQOSA-N 1 3 331.548 4.281 20 0 EIADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000449185277 1031523696 /nfs/dbraw/zinc/52/36/96/1031523696.db2.gz NPPBJYBNMSJUCB-INIZCTEOSA-N 1 3 326.484 4.360 20 0 EIADHO C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000449231326 1031562466 /nfs/dbraw/zinc/56/24/66/1031562466.db2.gz DGUQYEXVNBSWJX-KHKYRLRFSA-N 1 3 348.575 4.499 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453087434 1031576440 /nfs/dbraw/zinc/57/64/40/1031576440.db2.gz PSCVPGPDDKWSAU-QGZVFWFLSA-N 1 3 340.515 4.002 20 0 EIADHO c1ccc2c(c1)SC[C@@H]2CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449366932 1031661057 /nfs/dbraw/zinc/66/10/57/1031661057.db2.gz SZXGDHGISHSKSK-INIZCTEOSA-N 1 3 330.541 4.263 20 0 EIADHO c1csc([C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449632352 1031901319 /nfs/dbraw/zinc/90/13/19/1031901319.db2.gz XJTHLTSPOJLQMW-MJGOQNOKSA-N 1 3 348.556 4.355 20 0 EIADHO c1csc([C@@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449632352 1031901331 /nfs/dbraw/zinc/90/13/31/1031901331.db2.gz XJTHLTSPOJLQMW-MJGOQNOKSA-N 1 3 348.556 4.355 20 0 EIADHO CCC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972394 1031908828 /nfs/dbraw/zinc/90/88/28/1031908828.db2.gz OBLIUZGOOVTXOM-WMLDXEAASA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972394 1031908843 /nfs/dbraw/zinc/90/88/43/1031908843.db2.gz OBLIUZGOOVTXOM-WMLDXEAASA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972392 1031909982 /nfs/dbraw/zinc/90/99/82/1031909982.db2.gz OBLIUZGOOVTXOM-PBHICJAKSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972392 1031910000 /nfs/dbraw/zinc/91/00/00/1031910000.db2.gz OBLIUZGOOVTXOM-PBHICJAKSA-N 1 3 328.422 4.478 20 0 EIADHO COc1cc(F)cc(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000449779782 1032004197 /nfs/dbraw/zinc/00/41/97/1032004197.db2.gz FBTJIXCCYZSCKK-INIZCTEOSA-N 1 3 348.506 4.152 20 0 EIADHO COc1cc(F)cc(C[C@H](C)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000449779782 1032004216 /nfs/dbraw/zinc/00/42/16/1032004216.db2.gz FBTJIXCCYZSCKK-INIZCTEOSA-N 1 3 348.506 4.152 20 0 EIADHO CSCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000512633898 1033571504 /nfs/dbraw/zinc/57/15/04/1033571504.db2.gz AWGPDSDOTGQSFS-XUVXKRRUSA-N 1 3 332.557 4.020 20 0 EIADHO CC(C)Oc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000512803852 1033989885 /nfs/dbraw/zinc/98/98/85/1033989885.db2.gz CIFKYYJKQZDIJM-UHFFFAOYSA-N 1 3 338.495 4.012 20 0 EIADHO CC(C)Oc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000512803852 1033989894 /nfs/dbraw/zinc/98/98/94/1033989894.db2.gz CIFKYYJKQZDIJM-UHFFFAOYSA-N 1 3 338.495 4.012 20 0 EIADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000512848748 1034068413 /nfs/dbraw/zinc/06/84/13/1034068413.db2.gz JDDDYIBUQDHLRE-AWEZNQCLSA-N 1 3 334.916 4.500 20 0 EIADHO CCC(CC)[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000513414550 1034933385 /nfs/dbraw/zinc/93/33/85/1034933385.db2.gz OHAVKTNDUUTKGT-TZIWHRDSSA-N 1 3 336.564 4.357 20 0 EIADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000501056784 1035362327 /nfs/dbraw/zinc/36/23/27/1035362327.db2.gz UNQNALNTWUPTIO-JOCHJYFZSA-N 1 3 345.575 4.088 20 0 EIADHO CCc1cc(OC)ccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000501452969 1035447593 /nfs/dbraw/zinc/44/75/93/1035447593.db2.gz LOXAAVBZLQRPTJ-UHFFFAOYSA-N 1 3 338.495 4.012 20 0 EIADHO C[C@H](NCc1ccc(-c2cnco2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000906523925 1036314488 /nfs/dbraw/zinc/31/44/88/1036314488.db2.gz AHDFCXSYUZFZDZ-INIZCTEOSA-N 1 3 335.451 4.254 20 0 EIADHO CSc1ccccc1[C@H]1CCCN1C1CC[NH+](CC2CC2)CC1 ZINC001168389175 1036735358 /nfs/dbraw/zinc/73/53/58/1036735358.db2.gz KWXGLFMONBVRRY-LJQANCHMSA-N 1 3 330.541 4.420 20 0 EIADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165313602 1036773500 /nfs/dbraw/zinc/77/35/00/1036773500.db2.gz PINRHQNEEJFJCZ-IEBWSBKVSA-N 1 3 334.573 4.061 20 0 EIADHO CCc1onc(C)c1CN1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001168413865 1036779988 /nfs/dbraw/zinc/77/99/88/1036779988.db2.gz LIWWCKILFPXVAF-UHFFFAOYSA-N 1 3 335.536 4.125 20 0 EIADHO CCc1onc(C)c1CN1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001168413865 1036780008 /nfs/dbraw/zinc/78/00/08/1036780008.db2.gz LIWWCKILFPXVAF-UHFFFAOYSA-N 1 3 335.536 4.125 20 0 EIADHO Fc1ccc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000486700700 1036820869 /nfs/dbraw/zinc/82/08/69/1036820869.db2.gz JSRBQZWIBROFFQ-UHFFFAOYSA-N 1 3 337.442 4.193 20 0 EIADHO C(=C\c1ccncc1)\CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000487266435 1037081865 /nfs/dbraw/zinc/08/18/65/1037081865.db2.gz OSXMJCGNYOZSEH-FPLPWBNLSA-N 1 3 335.495 4.261 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488335971 1037524191 /nfs/dbraw/zinc/52/41/91/1037524191.db2.gz YRIJAMSHPOBVPI-UHFFFAOYSA-N 1 3 331.479 4.251 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488335971 1037524211 /nfs/dbraw/zinc/52/42/11/1037524211.db2.gz YRIJAMSHPOBVPI-UHFFFAOYSA-N 1 3 331.479 4.251 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000488325945 1037528672 /nfs/dbraw/zinc/52/86/72/1037528672.db2.gz QJFGFBPQBFSNAT-UHFFFAOYSA-N 1 3 345.918 4.442 20 0 EIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CS1 ZINC000488434577 1037592115 /nfs/dbraw/zinc/59/21/15/1037592115.db2.gz JEAZSXIEQXQFOE-AQNXPRMDSA-N 1 3 346.584 4.061 20 0 EIADHO c1ccc2cc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422700361 1037801594 /nfs/dbraw/zinc/80/15/94/1037801594.db2.gz GRGCRDWYRJSXEZ-JTHBVZDNSA-N 1 3 344.458 4.185 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000422716080 1037813408 /nfs/dbraw/zinc/81/34/08/1037813408.db2.gz MWNOALAHMZTHCX-JKSUJKDBSA-N 1 3 325.500 4.256 20 0 EIADHO COc1cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000422717333 1037813575 /nfs/dbraw/zinc/81/35/75/1037813575.db2.gz KQLDEQYVZVUOHS-ZACQAIPSSA-N 1 3 342.483 4.051 20 0 EIADHO CCSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422722895 1037815493 /nfs/dbraw/zinc/81/54/93/1037815493.db2.gz ZBXFOQKZDPZQGZ-KGLIPLIRSA-N 1 3 329.513 4.373 20 0 EIADHO CCc1ccc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422741916 1037821613 /nfs/dbraw/zinc/82/16/13/1037821613.db2.gz FPGMCERHCOVOBM-AQKFKSFVSA-N 1 3 336.479 4.156 20 0 EIADHO CC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)(C)c1ccccc1 ZINC000422784781 1037832436 /nfs/dbraw/zinc/83/24/36/1037832436.db2.gz OOGXLQYJNQUZEW-OXQOHEQNSA-N 1 3 325.500 4.256 20 0 EIADHO Cc1ccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000422792025 1037839984 /nfs/dbraw/zinc/83/99/84/1037839984.db2.gz ZABIKJFVKNZBET-XJABCFGWSA-N 1 3 336.479 4.210 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000422886716 1037854790 /nfs/dbraw/zinc/85/47/90/1037854790.db2.gz XFOGUDIKXRNXHB-GJZGRUSLSA-N 1 3 327.472 4.048 20 0 EIADHO c1sc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1C1CCCCC1 ZINC000422914466 1037867810 /nfs/dbraw/zinc/86/78/10/1037867810.db2.gz UHXUVEMTMONYPW-KSZLIROESA-N 1 3 347.572 4.244 20 0 EIADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422940097 1037875634 /nfs/dbraw/zinc/87/56/34/1037875634.db2.gz IQFUVVLLNSOVOM-KGUTZJKHSA-N 1 3 332.491 4.001 20 0 EIADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422940095 1037875895 /nfs/dbraw/zinc/87/58/95/1037875895.db2.gz IQFUVVLLNSOVOM-CLBPNALQSA-N 1 3 332.491 4.001 20 0 EIADHO Brc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCC2)cc1 ZINC000422944397 1037877689 /nfs/dbraw/zinc/87/76/89/1037877689.db2.gz MGLJXQRBYDZJAN-UJJTZGENSA-N 1 3 349.316 4.163 20 0 EIADHO Brc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCC2)cc1 ZINC000422944411 1037877936 /nfs/dbraw/zinc/87/79/36/1037877936.db2.gz MGLJXQRBYDZJAN-WFFDWFOESA-N 1 3 349.316 4.163 20 0 EIADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422974246 1037893178 /nfs/dbraw/zinc/89/31/78/1037893178.db2.gz QQCCNPFJCGUWQA-KSSFIOAISA-N 1 3 327.472 4.114 20 0 EIADHO C[C@@H](CCCC[NH3+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000423048766 1037913464 /nfs/dbraw/zinc/91/34/64/1037913464.db2.gz IRYFCPPBMGIDHV-ZDUSSCGKSA-N 1 3 329.469 4.163 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CC[C@H]1C(C)C ZINC000423044027 1037919860 /nfs/dbraw/zinc/91/98/60/1037919860.db2.gz AOABEDYVAJWEFQ-BPXKWBHBSA-N 1 3 337.511 4.459 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CC[C@@H]1C(C)C ZINC000423044028 1037920891 /nfs/dbraw/zinc/92/08/91/1037920891.db2.gz AOABEDYVAJWEFQ-DKZVUGQWSA-N 1 3 337.511 4.459 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423127848 1037978398 /nfs/dbraw/zinc/97/83/98/1037978398.db2.gz PSHKXABLJGFXBU-QZNHQXDQSA-N 1 3 348.490 4.218 20 0 EIADHO FC(F)(F)c1cccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000423107103 1037985350 /nfs/dbraw/zinc/98/53/50/1037985350.db2.gz PGOSBYKHDLFFOF-IAGOWNOFSA-N 1 3 326.406 4.278 20 0 EIADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(C2CC2)c1 ZINC000423148173 1037994967 /nfs/dbraw/zinc/99/49/67/1037994967.db2.gz USLLWUMKLJOGQG-POCHDABASA-N 1 3 348.490 4.471 20 0 EIADHO Cc1cc([C@@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000423146632 1037996278 /nfs/dbraw/zinc/99/62/78/1037996278.db2.gz PUVDPGSUIITNAQ-QFIXIFRTSA-N 1 3 340.442 4.041 20 0 EIADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(C2CC2)c1 ZINC000423148172 1037998241 /nfs/dbraw/zinc/99/82/41/1037998241.db2.gz USLLWUMKLJOGQG-JFJYTDJESA-N 1 3 348.490 4.471 20 0 EIADHO [NH3+][C@@H]1C[C@@H](NCC[C@@H](c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000423140109 1038014964 /nfs/dbraw/zinc/01/49/64/1038014964.db2.gz XHYHTQUZEGSOTH-RCCFBDPRSA-N 1 3 334.385 4.457 20 0 EIADHO Fc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423248552 1038080748 /nfs/dbraw/zinc/08/07/48/1038080748.db2.gz NIDLYUCAVUZDIU-KUHUBIRLSA-N 1 3 332.850 4.158 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCS2 ZINC000423291669 1038094504 /nfs/dbraw/zinc/09/45/04/1038094504.db2.gz JIERSUAHDIZLHN-UGSOOPFHSA-N 1 3 328.481 4.042 20 0 EIADHO CCOc1ccc([C@@H](NCCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423331329 1038141337 /nfs/dbraw/zinc/14/13/37/1038141337.db2.gz PXFJPROMFOICMO-LJQANCHMSA-N 1 3 332.875 4.157 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423371583 1038190498 /nfs/dbraw/zinc/19/04/98/1038190498.db2.gz GPPDKPJQFKLHQT-XKQJLSEDSA-N 1 3 329.513 4.347 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000423370196 1038190849 /nfs/dbraw/zinc/19/08/49/1038190849.db2.gz FHXMZZHHMOTRTQ-RCBQFDQVSA-N 1 3 345.512 4.048 20 0 EIADHO C[C@H]1C[C@@H]([NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)CCN1 ZINC000423377830 1038191446 /nfs/dbraw/zinc/19/14/46/1038191446.db2.gz KNWHUARWQYUTEW-DKVDKTFMSA-N 1 3 340.433 4.462 20 0 EIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423498593 1038255701 /nfs/dbraw/zinc/25/57/01/1038255701.db2.gz IHASLSNIJFDTAJ-PGRDOPGGSA-N 1 3 348.494 4.062 20 0 EIADHO COc1ccc2c(c1)[C@H](N[C@@H](CCC[NH3+])c1ccccc1)CCS2 ZINC000423503168 1038257572 /nfs/dbraw/zinc/25/75/72/1038257572.db2.gz FLWHCTGYZJUSLW-RBUKOAKNSA-N 1 3 342.508 4.302 20 0 EIADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000423519999 1038274901 /nfs/dbraw/zinc/27/49/01/1038274901.db2.gz VTUJVVITMJSKSM-VVFCZOMOSA-N 1 3 332.850 4.286 20 0 EIADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000423519997 1038276190 /nfs/dbraw/zinc/27/61/90/1038276190.db2.gz VTUJVVITMJSKSM-AZOIQLNYSA-N 1 3 332.850 4.286 20 0 EIADHO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490599 1038374038 /nfs/dbraw/zinc/37/40/38/1038374038.db2.gz PQUAVBXCPFGALY-QFBILLFUSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490599 1038374049 /nfs/dbraw/zinc/37/40/49/1038374049.db2.gz PQUAVBXCPFGALY-QFBILLFUSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490615 1038374452 /nfs/dbraw/zinc/37/44/52/1038374452.db2.gz PQUAVBXCPFGALY-APWZRJJASA-N 1 3 343.902 4.220 20 0 EIADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490615 1038374467 /nfs/dbraw/zinc/37/44/67/1038374467.db2.gz PQUAVBXCPFGALY-APWZRJJASA-N 1 3 343.902 4.220 20 0 EIADHO c1cc2c(s1)CCN(CCCCC[N@@H+]1CCc3sccc3C1)C2 ZINC000607150565 1038390802 /nfs/dbraw/zinc/39/08/02/1038390802.db2.gz AORYDGBADFZHAU-UHFFFAOYSA-N 1 3 346.565 4.396 20 0 EIADHO c1cc2c(s1)CCN(CCCCC[N@H+]1CCc3sccc3C1)C2 ZINC000607150565 1038390820 /nfs/dbraw/zinc/39/08/20/1038390820.db2.gz AORYDGBADFZHAU-UHFFFAOYSA-N 1 3 346.565 4.396 20 0 EIADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@H+](C)C(C)C ZINC000480778575 1038803956 /nfs/dbraw/zinc/80/39/56/1038803956.db2.gz IRLZZGHBUBCCAV-NRFANRHFSA-N 1 3 338.495 4.313 20 0 EIADHO COc1cccc2c1CC[C@@H]2NCc1ccccc1C[N@@H+](C)C(C)C ZINC000480778575 1038803958 /nfs/dbraw/zinc/80/39/58/1038803958.db2.gz IRLZZGHBUBCCAV-NRFANRHFSA-N 1 3 338.495 4.313 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000539072297 1038821680 /nfs/dbraw/zinc/82/16/80/1038821680.db2.gz PJLGDIXAFNPVBJ-KFWWJZLASA-N 1 3 342.886 4.019 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000539072155 1038822031 /nfs/dbraw/zinc/82/20/31/1038822031.db2.gz VEDDCVFJGJBYBI-QLFBSQMISA-N 1 3 342.886 4.019 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)c3c2cccc3C)[C@H](C)C1 ZINC000504921121 1038844002 /nfs/dbraw/zinc/84/40/02/1038844002.db2.gz QXKPVXUODWIJDB-RMVXJAJNSA-N 1 3 344.543 4.270 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)c3c2cccc3C)[C@H](C)C1 ZINC000504921121 1038844004 /nfs/dbraw/zinc/84/40/04/1038844004.db2.gz QXKPVXUODWIJDB-RMVXJAJNSA-N 1 3 344.543 4.270 20 0 EIADHO CCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1OC ZINC000539252278 1038896133 /nfs/dbraw/zinc/89/61/33/1038896133.db2.gz ILKJDAFIPRPSJX-FUHWJXTLSA-N 1 3 334.504 4.009 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023373 1038958701 /nfs/dbraw/zinc/95/87/01/1038958701.db2.gz NDLRMRVNLVIEHW-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023373 1038958710 /nfs/dbraw/zinc/95/87/10/1038958710.db2.gz NDLRMRVNLVIEHW-DLBZAZTESA-N 1 3 326.484 4.231 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)C1 ZINC000481039927 1038987044 /nfs/dbraw/zinc/98/70/44/1038987044.db2.gz QINATYYIUFKGPW-YVWKXTFCSA-N 1 3 348.506 4.182 20 0 EIADHO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000539377634 1039036879 /nfs/dbraw/zinc/03/68/79/1039036879.db2.gz SZXSLKAHBDHRKG-QWFCFKBJSA-N 1 3 342.527 4.391 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CNCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000414810791 1039055490 /nfs/dbraw/zinc/05/54/90/1039055490.db2.gz OJEOSAVKSBPLGG-LLVKDONJSA-N 1 3 326.337 4.154 20 0 EIADHO CCOc1cccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000552059529 1039077810 /nfs/dbraw/zinc/07/78/10/1039077810.db2.gz IQRPXOKIBSBCEU-OAQYLSRUSA-N 1 3 338.495 4.039 20 0 EIADHO CCOc1cccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000552059529 1039077829 /nfs/dbraw/zinc/07/78/29/1039077829.db2.gz IQRPXOKIBSBCEU-OAQYLSRUSA-N 1 3 338.495 4.039 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000120580800 1039180212 /nfs/dbraw/zinc/18/02/12/1039180212.db2.gz SIBHEUWRDCFCLN-MRXNPFEDSA-N 1 3 340.467 4.108 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC000481294926 1039231666 /nfs/dbraw/zinc/23/16/66/1039231666.db2.gz MZQGGPMAXWLLAT-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414833979 1039278411 /nfs/dbraw/zinc/27/84/11/1039278411.db2.gz GBLBUZXNPPQJKV-UZLBHIALSA-N 1 3 345.531 4.024 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)c2sccc2C)C1 ZINC000481314188 1039284722 /nfs/dbraw/zinc/28/47/22/1039284722.db2.gz BNPWDZBOPYSXCH-OALUTQOASA-N 1 3 328.525 4.272 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CC)c2cccc(C)c2)[C@H](C)C1 ZINC000552244527 1039312295 /nfs/dbraw/zinc/31/22/95/1039312295.db2.gz DEYJCPYKLAQTFD-NRSPTQNISA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CC)c2cccc(C)c2)[C@H](C)C1 ZINC000552244527 1039312307 /nfs/dbraw/zinc/31/23/07/1039312307.db2.gz DEYJCPYKLAQTFD-NRSPTQNISA-N 1 3 332.532 4.173 20 0 EIADHO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCN(CC)C1 ZINC000481339690 1039320198 /nfs/dbraw/zinc/32/01/98/1039320198.db2.gz QZXOQCIGDRZKGU-ZBFHGGJFSA-N 1 3 326.937 4.142 20 0 EIADHO C[N@@H+]1CCC[C@@]2(CCN(CCCOc3cccc4ccccc43)C2)C1 ZINC000555598027 1039420672 /nfs/dbraw/zinc/42/06/72/1039420672.db2.gz MTZRHORSVDBKEY-JOCHJYFZSA-N 1 3 338.495 4.026 20 0 EIADHO C[N@H+]1CCC[C@@]2(CCN(CCCOc3cccc4ccccc43)C2)C1 ZINC000555598027 1039420705 /nfs/dbraw/zinc/42/07/05/1039420705.db2.gz MTZRHORSVDBKEY-JOCHJYFZSA-N 1 3 338.495 4.026 20 0 EIADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1cc(C)ccc1OC ZINC000093371652 1039673150 /nfs/dbraw/zinc/67/31/50/1039673150.db2.gz DCPHHIDSZGTJSH-FQEVSTJZSA-N 1 3 326.484 4.306 20 0 EIADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1Cl ZINC000643534417 1039715341 /nfs/dbraw/zinc/71/53/41/1039715341.db2.gz UOVYNYDQMACZFR-CABZTGNLSA-N 1 3 333.690 4.440 20 0 EIADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1Cl ZINC000643534416 1039716483 /nfs/dbraw/zinc/71/64/83/1039716483.db2.gz UOVYNYDQMACZFR-BXKDBHETSA-N 1 3 333.690 4.440 20 0 EIADHO CSc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007500 1039861241 /nfs/dbraw/zinc/86/12/41/1039861241.db2.gz PDDBFXQQLZHQQE-AZUAARDMSA-N 1 3 326.509 4.334 20 0 EIADHO CSc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551007500 1039861243 /nfs/dbraw/zinc/86/12/43/1039861243.db2.gz PDDBFXQQLZHQQE-AZUAARDMSA-N 1 3 326.509 4.334 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](c2cccnc2)C2CCC2)CC1 ZINC000481920546 1039895170 /nfs/dbraw/zinc/89/51/70/1039895170.db2.gz JNSCMQOISBTVCY-HSZRJFAPSA-N 1 3 349.522 4.485 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481925959 1039899949 /nfs/dbraw/zinc/89/99/49/1039899949.db2.gz NPJTUSBBKCEGNF-HOTGVXAUSA-N 1 3 342.449 4.346 20 0 EIADHO Cc1cc([C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C2CC2)ccc1F ZINC000553104205 1039992834 /nfs/dbraw/zinc/99/28/34/1039992834.db2.gz OXXJKYSYFWTFKY-XGHQBKJUSA-N 1 3 348.506 4.064 20 0 EIADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)c1ccccc1F ZINC000482140093 1040031323 /nfs/dbraw/zinc/03/13/23/1040031323.db2.gz WBDISJSHESMWLC-UHFFFAOYSA-N 1 3 332.507 4.490 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000514637711 1040072791 /nfs/dbraw/zinc/07/27/91/1040072791.db2.gz SLUWKGAHGLSIGF-FXAWDEMLSA-N 1 3 343.559 4.300 20 0 EIADHO Cc1cc(CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc(C)c1O ZINC000470139392 1040097847 /nfs/dbraw/zinc/09/78/47/1040097847.db2.gz BQGAQMGWRZTGCI-KKSFZXQISA-N 1 3 344.543 4.184 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000482336222 1040184190 /nfs/dbraw/zinc/18/41/90/1040184190.db2.gz RVECHZWGPGIUIM-CABCVRRESA-N 1 3 328.422 4.476 20 0 EIADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H](Cc3ccccc3)C3CC3)C2)cc1 ZINC000482452126 1040261980 /nfs/dbraw/zinc/26/19/80/1040261980.db2.gz ABHIMGHYFMWALQ-LADGPHEKSA-N 1 3 348.534 4.162 20 0 EIADHO C[C@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000666993719 1040365842 /nfs/dbraw/zinc/36/58/42/1040365842.db2.gz GIUWQYBUYCFZFX-CJNGLKHVSA-N 1 3 326.406 4.073 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461732 1040366416 /nfs/dbraw/zinc/36/64/16/1040366416.db2.gz DLJDMMGEBSUECV-KNQAVFIVSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000479461732 1040366434 /nfs/dbraw/zinc/36/64/34/1040366434.db2.gz DLJDMMGEBSUECV-KNQAVFIVSA-N 1 3 338.495 4.258 20 0 EIADHO FC(F)(F)c1cccc(CCCC[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000666993940 1040375094 /nfs/dbraw/zinc/37/50/94/1040375094.db2.gz VGKZWZIJALXOTR-QGZVFWFLSA-N 1 3 340.433 4.292 20 0 EIADHO Cc1ccccc1[C@@H](CC(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483199008 1040756969 /nfs/dbraw/zinc/75/69/69/1040756969.db2.gz NGWMSJMHMOTFDK-SIKLNZKXSA-N 1 3 344.543 4.173 20 0 EIADHO C[N@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539834039 1040828633 /nfs/dbraw/zinc/82/86/33/1040828633.db2.gz WFTRWPXVSWSNQU-HUCIYCNJSA-N 1 3 338.470 4.293 20 0 EIADHO C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000539834039 1040828636 /nfs/dbraw/zinc/82/86/36/1040828636.db2.gz WFTRWPXVSWSNQU-HUCIYCNJSA-N 1 3 338.470 4.293 20 0 EIADHO c1cn(CCC[NH2+]C2CCN(C3CCCCC3)CC2)c2ccccc12 ZINC000480081383 1040910494 /nfs/dbraw/zinc/91/04/94/1040910494.db2.gz KOJFFVZRXLAODY-UHFFFAOYSA-N 1 3 339.527 4.418 20 0 EIADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425503116 1041017236 /nfs/dbraw/zinc/01/72/36/1041017236.db2.gz INJYSRSJDPJFIH-KRWDZBQOSA-N 1 3 347.572 4.076 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000480160683 1041017554 /nfs/dbraw/zinc/01/75/54/1041017554.db2.gz PJRZWWHRYKWHMH-AWEZNQCLSA-N 1 3 346.462 4.478 20 0 EIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCC(F)(F)F)cc1 ZINC000538163077 1041107200 /nfs/dbraw/zinc/10/72/00/1041107200.db2.gz PVHRFOXCJHKESP-GDBMZVCRSA-N 1 3 344.421 4.153 20 0 EIADHO CC(C)CCOc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000480268466 1041140230 /nfs/dbraw/zinc/14/02/30/1041140230.db2.gz UTCQMNMGZMUQID-KRWDZBQOSA-N 1 3 330.516 4.389 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463071232 1041316854 /nfs/dbraw/zinc/31/68/54/1041316854.db2.gz WJLMUXGXMMSYDA-GHTZIAJQSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C ZINC000463071232 1041316868 /nfs/dbraw/zinc/31/68/68/1041316868.db2.gz WJLMUXGXMMSYDA-GHTZIAJQSA-N 1 3 338.495 4.146 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1 ZINC000540258971 1041325348 /nfs/dbraw/zinc/32/53/48/1041325348.db2.gz KLUZKOPAYWHPDU-YOEHRIQHSA-N 1 3 328.422 4.334 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)C1 ZINC000540258967 1041327191 /nfs/dbraw/zinc/32/71/91/1041327191.db2.gz KLUZKOPAYWHPDU-RHSMWYFYSA-N 1 3 328.422 4.334 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000667706284 1041421406 /nfs/dbraw/zinc/42/14/06/1041421406.db2.gz WBQTYGYDSJMMNF-OALUTQOASA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000667706284 1041421413 /nfs/dbraw/zinc/42/14/13/1041421413.db2.gz WBQTYGYDSJMMNF-OALUTQOASA-N 1 3 341.524 4.035 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000195138221 1041487243 /nfs/dbraw/zinc/48/72/43/1041487243.db2.gz NYQSPSIALCMJEX-FUHWJXTLSA-N 1 3 342.458 4.007 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)c1 ZINC000480753976 1041509109 /nfs/dbraw/zinc/50/91/09/1041509109.db2.gz COSKOHGXJMVQEU-XMSQKQJNSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cccc(COc2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000480753976 1041509124 /nfs/dbraw/zinc/50/91/24/1041509124.db2.gz COSKOHGXJMVQEU-XMSQKQJNSA-N 1 3 338.495 4.004 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cccc(F)c2)cc1 ZINC000480739389 1041511733 /nfs/dbraw/zinc/51/17/33/1041511733.db2.gz SHZRMQDGXXDRJN-QGZVFWFLSA-N 1 3 344.474 4.397 20 0 EIADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000467365300 1042021376 /nfs/dbraw/zinc/02/13/76/1042021376.db2.gz PDSUALYQBJGFJS-KBRIMQKVSA-N 1 3 328.422 4.099 20 0 EIADHO Cc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1Br ZINC000506340893 1042327093 /nfs/dbraw/zinc/32/70/93/1042327093.db2.gz NICWUOLKAQSAAS-UHFFFAOYSA-N 1 3 339.321 4.062 20 0 EIADHO Cc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1Br ZINC000506340893 1042327100 /nfs/dbraw/zinc/32/71/00/1042327100.db2.gz NICWUOLKAQSAAS-UHFFFAOYSA-N 1 3 339.321 4.062 20 0 EIADHO C[C@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccncc1 ZINC000173927430 1042629409 /nfs/dbraw/zinc/62/94/09/1042629409.db2.gz HHOBQLUNJLYZFJ-OTWHNJEPSA-N 1 3 337.511 4.410 20 0 EIADHO C[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccncc1 ZINC000173927430 1042629413 /nfs/dbraw/zinc/62/94/13/1042629413.db2.gz HHOBQLUNJLYZFJ-OTWHNJEPSA-N 1 3 337.511 4.410 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)C1 ZINC000467388693 1042716660 /nfs/dbraw/zinc/71/66/60/1042716660.db2.gz IFNWEZXRBMULOV-DFQSSKMNSA-N 1 3 329.532 4.128 20 0 EIADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2CCCO2)CC1 ZINC000439789395 1042768489 /nfs/dbraw/zinc/76/84/89/1042768489.db2.gz PKXGRTPVRGANEF-NRFANRHFSA-N 1 3 344.543 4.036 20 0 EIADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2CCCO2)CC1 ZINC000439789395 1042768493 /nfs/dbraw/zinc/76/84/93/1042768493.db2.gz PKXGRTPVRGANEF-NRFANRHFSA-N 1 3 344.543 4.036 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000542465054 1042811111 /nfs/dbraw/zinc/81/11/11/1042811111.db2.gz QEBWQHXTLLUNIH-UHFFFAOYSA-N 1 3 346.563 4.020 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000542465054 1042811112 /nfs/dbraw/zinc/81/11/12/1042811112.db2.gz QEBWQHXTLLUNIH-UHFFFAOYSA-N 1 3 346.563 4.020 20 0 EIADHO c1ccc(CSCCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000536382713 1042817092 /nfs/dbraw/zinc/81/70/92/1042817092.db2.gz NEUBRQROERRPBU-FQEVSTJZSA-N 1 3 332.557 4.118 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591410 1042840972 /nfs/dbraw/zinc/84/09/72/1042840972.db2.gz OPYBISDIEXOZAY-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000310591410 1042840974 /nfs/dbraw/zinc/84/09/74/1042840974.db2.gz OPYBISDIEXOZAY-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310970369 1042848887 /nfs/dbraw/zinc/84/88/87/1042848887.db2.gz DDQQVYWGAWSCGW-ICSRJNTNSA-N 1 3 338.495 4.176 20 0 EIADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168448844 1042859920 /nfs/dbraw/zinc/85/99/20/1042859920.db2.gz QGSQIIBYUBMARV-QFIPXVFZSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168448844 1042859924 /nfs/dbraw/zinc/85/99/24/1042859924.db2.gz QGSQIIBYUBMARV-QFIPXVFZSA-N 1 3 344.518 4.412 20 0 EIADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000178748165 1042873861 /nfs/dbraw/zinc/87/38/61/1042873861.db2.gz ABCCZLXBPZNXHN-OAHLLOKOSA-N 1 3 329.513 4.193 20 0 EIADHO CSCCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000186772668 1043308058 /nfs/dbraw/zinc/30/80/58/1043308058.db2.gz SZBDANACFHFKGN-HSALFYBXSA-N 1 3 332.557 4.020 20 0 EIADHO C[NH+](C)CCOc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000077467849 1043325338 /nfs/dbraw/zinc/32/53/38/1043325338.db2.gz OFPUGLURNMRHSJ-UHFFFAOYSA-N 1 3 344.886 4.059 20 0 EIADHO FC1(F)C[C@H]2CC[C@@H](C1)N2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000625679673 1043334540 /nfs/dbraw/zinc/33/45/40/1043334540.db2.gz UJNZIEZXUPAZIL-KDURUIRLSA-N 1 3 334.454 4.435 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000188977131 1043397210 /nfs/dbraw/zinc/39/72/10/1043397210.db2.gz CNMHTIHABQBMSM-ZDUSSCGKSA-N 1 3 344.421 4.499 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3cccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000674336107 1043605270 /nfs/dbraw/zinc/60/52/70/1043605270.db2.gz ZAMKKSBYZHQQOB-PGRDOPGGSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3cccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000674336107 1043605282 /nfs/dbraw/zinc/60/52/82/1043605282.db2.gz ZAMKKSBYZHQQOB-PGRDOPGGSA-N 1 3 345.490 4.378 20 0 EIADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000521477538 1043787770 /nfs/dbraw/zinc/78/77/70/1043787770.db2.gz RLFSCTLNDBHCCU-BHDDXSALSA-N 1 3 344.543 4.084 20 0 EIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3ccc4[nH]ccc4c3)CC2)C1 ZINC000442796126 1043842905 /nfs/dbraw/zinc/84/29/05/1043842905.db2.gz FSNUNKJFDWQNQO-LAUBAEHRSA-N 1 3 339.527 4.343 20 0 EIADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167691 1043946980 /nfs/dbraw/zinc/94/69/80/1043946980.db2.gz SZIMGQNHDXHXBD-FDDCHVKYSA-N 1 3 349.522 4.207 20 0 EIADHO COc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1Cl ZINC000174312974 1044260611 /nfs/dbraw/zinc/26/06/11/1044260611.db2.gz VKYWPJQSTKJYBO-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO COc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1Cl ZINC000174312974 1044260623 /nfs/dbraw/zinc/26/06/23/1044260623.db2.gz VKYWPJQSTKJYBO-UHFFFAOYSA-N 1 3 346.902 4.479 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000474051434 1044305073 /nfs/dbraw/zinc/30/50/73/1044305073.db2.gz CKNOFKDDSDOAAA-NRFANRHFSA-N 1 3 342.527 4.414 20 0 EIADHO C[C@H]1CC(NCCOC2CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024251 1044607002 /nfs/dbraw/zinc/60/70/02/1044607002.db2.gz CVCIEVNMCLJBMT-OALUTQOASA-N 1 3 344.543 4.367 20 0 EIADHO C[C@@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N)cc1 ZINC001168028546 1044746304 /nfs/dbraw/zinc/74/63/04/1044746304.db2.gz PGIKSLUUXRPRBE-WYADAEROSA-N 1 3 337.511 4.361 20 0 EIADHO C[C@@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N)cc1 ZINC001168028546 1044746319 /nfs/dbraw/zinc/74/63/19/1044746319.db2.gz PGIKSLUUXRPRBE-WYADAEROSA-N 1 3 337.511 4.361 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428878593 1044809947 /nfs/dbraw/zinc/80/99/47/1044809947.db2.gz AMMLCHQRAQRDSW-GASCZTMLSA-N 1 3 349.519 4.283 20 0 EIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428878593 1044809951 /nfs/dbraw/zinc/80/99/51/1044809951.db2.gz AMMLCHQRAQRDSW-GASCZTMLSA-N 1 3 349.519 4.283 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000237323214 1044853623 /nfs/dbraw/zinc/85/36/23/1044853623.db2.gz BTMLWVLVOVSEDX-UHFFFAOYSA-N 1 3 326.484 4.040 20 0 EIADHO Cc1cc(C#N)ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390899069 1044902895 /nfs/dbraw/zinc/90/28/95/1044902895.db2.gz PFDSAWIWJPONAY-QFIPXVFZSA-N 1 3 347.506 4.257 20 0 EIADHO Cc1cc(C#N)ccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390899069 1044902914 /nfs/dbraw/zinc/90/29/14/1044902914.db2.gz PFDSAWIWJPONAY-QFIPXVFZSA-N 1 3 347.506 4.257 20 0 EIADHO Cc1nc([C@@H](C)N2CC[C@@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000923480072 1045131925 /nfs/dbraw/zinc/13/19/25/1045131925.db2.gz DULRNROEFBNKEI-ZIAGYGMSSA-N 1 3 333.863 4.035 20 0 EIADHO c1coc(CNCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000236697570 1045363124 /nfs/dbraw/zinc/36/31/24/1045363124.db2.gz XEOFDLABOPRVHF-UHFFFAOYSA-N 1 3 326.484 4.104 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2ccc(F)cc2)[C@H](C)C1 ZINC000246825186 1045833639 /nfs/dbraw/zinc/83/36/39/1045833639.db2.gz ADSMFFUVCAJAEV-UXPWSPDFSA-N 1 3 336.495 4.003 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2ccc(F)cc2)[C@H](C)C1 ZINC000246825186 1045833644 /nfs/dbraw/zinc/83/36/44/1045833644.db2.gz ADSMFFUVCAJAEV-UXPWSPDFSA-N 1 3 336.495 4.003 20 0 EIADHO C[NH+](C)CCCCCCCNCc1c(F)cccc1Br ZINC000792943604 1046102233 /nfs/dbraw/zinc/10/22/33/1046102233.db2.gz VGDWMGNGHLVHQH-UHFFFAOYSA-N 1 3 345.300 4.190 20 0 EIADHO C[NH2+]C[C@@H]1CCCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262052729 1046173822 /nfs/dbraw/zinc/17/38/22/1046173822.db2.gz ZVFWEQXMRAYNRA-INIZCTEOSA-N 1 3 344.449 4.028 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000123976467 1046209570 /nfs/dbraw/zinc/20/95/70/1046209570.db2.gz KLTJIGWBZVBNRL-MRXNPFEDSA-N 1 3 343.490 4.194 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000123976467 1046209580 /nfs/dbraw/zinc/20/95/80/1046209580.db2.gz KLTJIGWBZVBNRL-MRXNPFEDSA-N 1 3 343.490 4.194 20 0 EIADHO C[C@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508701203 1046333695 /nfs/dbraw/zinc/33/36/95/1046333695.db2.gz SHLPOKPKYKPLSH-GHTZIAJQSA-N 1 3 348.490 4.476 20 0 EIADHO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508703112 1046345923 /nfs/dbraw/zinc/34/59/23/1046345923.db2.gz XMVHZEKSVQPQNV-MJGOQNOKSA-N 1 3 338.470 4.315 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)s2)C[C@@H]1C ZINC000536662003 1046633666 /nfs/dbraw/zinc/63/36/66/1046633666.db2.gz JXYWTJNXUBXDQY-QWHCGFSZSA-N 1 3 345.350 4.124 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)s2)C[C@@H]1C ZINC000536662003 1046633680 /nfs/dbraw/zinc/63/36/80/1046633680.db2.gz JXYWTJNXUBXDQY-QWHCGFSZSA-N 1 3 345.350 4.124 20 0 EIADHO COc1cccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000459412094 1046636798 /nfs/dbraw/zinc/63/67/98/1046636798.db2.gz MSUYRIORNBGNTN-UHFFFAOYSA-N 1 3 336.479 4.079 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000379615156 1046700860 /nfs/dbraw/zinc/70/08/60/1046700860.db2.gz AFXKGXWHSUNYHN-NQIIRXRSSA-N 1 3 338.495 4.152 20 0 EIADHO Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)c1O ZINC000379615156 1046700877 /nfs/dbraw/zinc/70/08/77/1046700877.db2.gz AFXKGXWHSUNYHN-NQIIRXRSSA-N 1 3 338.495 4.152 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3ncccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379644945 1046736556 /nfs/dbraw/zinc/73/65/56/1046736556.db2.gz HLTZUMXKXGYXQU-XMSQKQJNSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@H](NCc2ccc3ncccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379644945 1046736571 /nfs/dbraw/zinc/73/65/71/1046736571.db2.gz HLTZUMXKXGYXQU-XMSQKQJNSA-N 1 3 345.490 4.378 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379657621 1046760034 /nfs/dbraw/zinc/76/00/34/1046760034.db2.gz UAPVFNOKVQHUJN-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379657621 1046760046 /nfs/dbraw/zinc/76/00/46/1046760046.db2.gz UAPVFNOKVQHUJN-BBTUJRGHSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000536860578 1046828771 /nfs/dbraw/zinc/82/87/71/1046828771.db2.gz YXDMWRCWYDDBLW-RBSFLKMASA-N 1 3 342.886 4.019 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCC2(F)CCC2)ccc1OC ZINC000806175665 1047161841 /nfs/dbraw/zinc/16/18/41/1047161841.db2.gz DYECWSBECGZBOI-MRXNPFEDSA-N 1 3 336.495 4.470 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCC2(F)CCC2)ccc1OC ZINC000806175649 1047162210 /nfs/dbraw/zinc/16/22/10/1047162210.db2.gz DYECWSBECGZBOI-INIZCTEOSA-N 1 3 336.495 4.470 20 0 EIADHO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCS1 ZINC000897788146 1047482974 /nfs/dbraw/zinc/48/29/74/1047482974.db2.gz CCRSPCXHWVEFCA-NMLBUPMWSA-N 1 3 344.568 4.303 20 0 EIADHO c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000129754739 1047502362 /nfs/dbraw/zinc/50/23/62/1047502362.db2.gz ZVDGAYLDCXNRIA-YLJYHZDGSA-N 1 3 340.511 4.287 20 0 EIADHO CN(Cc1ccc(Cl)cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001136930383 1047912592 /nfs/dbraw/zinc/91/25/92/1047912592.db2.gz PENSUWMSXLHBKB-UHFFFAOYSA-N 1 3 343.902 4.079 20 0 EIADHO C[C@@H](NCc1cccc(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000132521003 1048335303 /nfs/dbraw/zinc/33/53/03/1048335303.db2.gz VYNDGZMCSBXFPT-OAHLLOKOSA-N 1 3 332.875 4.131 20 0 EIADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCOC2CCCCC2)C3)cc1 ZINC000499147824 1048355652 /nfs/dbraw/zinc/35/56/52/1048355652.db2.gz QTWSIFAEBHATIJ-WKCHPHFGSA-N 1 3 342.527 4.121 20 0 EIADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCOC2CCCCC2)C3)cc1 ZINC000499147824 1048355670 /nfs/dbraw/zinc/35/56/70/1048355670.db2.gz QTWSIFAEBHATIJ-WKCHPHFGSA-N 1 3 342.527 4.121 20 0 EIADHO CC(C)Oc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738632 1048509631 /nfs/dbraw/zinc/50/96/31/1048509631.db2.gz CJWPNAAIINEGPR-UHFFFAOYSA-N 1 3 326.484 4.167 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC2CC2)cc1 ZINC000809738715 1048510522 /nfs/dbraw/zinc/51/05/22/1048510522.db2.gz GIYYCRZFZIWWSG-UHFFFAOYSA-N 1 3 338.495 4.169 20 0 EIADHO [NH3+]CCCCCCN1CCC[C@H]1c1ccc(Br)s1 ZINC000846223928 1048843762 /nfs/dbraw/zinc/84/37/62/1048843762.db2.gz QLNWOGBLEMYBTG-LBPRGKRZSA-N 1 3 331.323 4.167 20 0 EIADHO Cc1cc2cc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)oc2cc1C ZINC000237404054 1048938630 /nfs/dbraw/zinc/93/86/30/1048938630.db2.gz ZBQHAZJUHAPWKJ-QZTJIDSGSA-N 1 3 344.499 4.029 20 0 EIADHO Cc1cc2cc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)oc2cc1C ZINC000237609333 1048967771 /nfs/dbraw/zinc/96/77/71/1048967771.db2.gz ZBQHAZJUHAPWKJ-ROUUACIJSA-N 1 3 344.499 4.029 20 0 EIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(CC[NH3+])cc1)CCS2 ZINC000817949447 1049063536 /nfs/dbraw/zinc/06/35/36/1049063536.db2.gz QXPOPEABAKGWPE-IBGZPJMESA-N 1 3 326.509 4.131 20 0 EIADHO COc1ccccc1[C@H](NCc1ccc(CC[NH3+])cc1)C1CCCC1 ZINC000817947678 1049064946 /nfs/dbraw/zinc/06/49/46/1049064946.db2.gz FMRJIGRQWZMIFI-JOCHJYFZSA-N 1 3 338.495 4.218 20 0 EIADHO COc1ccc2oc([C@@H](C)NCc3ccc(CC[NH3+])cc3)c(C)c2c1 ZINC000817950277 1049065094 /nfs/dbraw/zinc/06/50/94/1049065094.db2.gz XQKLEEASEOIXLS-OAHLLOKOSA-N 1 3 338.451 4.102 20 0 EIADHO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001171353229 1049509155 /nfs/dbraw/zinc/50/91/55/1049509155.db2.gz FOJVKMLDZUMMSZ-SFHVURJKSA-N 1 3 348.481 4.209 20 0 EIADHO Fc1cc(F)c2c(c1)C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC001171353229 1049509168 /nfs/dbraw/zinc/50/91/68/1049509168.db2.gz FOJVKMLDZUMMSZ-SFHVURJKSA-N 1 3 348.481 4.209 20 0 EIADHO CC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC(F)(F)C1 ZINC000716691667 1049701773 /nfs/dbraw/zinc/70/17/73/1049701773.db2.gz JICNGSHUMMIDBZ-KSZLIROESA-N 1 3 334.454 4.065 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@@H](C)C1 ZINC000245426610 1049720988 /nfs/dbraw/zinc/72/09/88/1049720988.db2.gz LMOVSLVEFVKZSF-KSSFIOAISA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@@H](C)C1 ZINC000245426610 1049721003 /nfs/dbraw/zinc/72/10/03/1049721003.db2.gz LMOVSLVEFVKZSF-KSSFIOAISA-N 1 3 331.891 4.050 20 0 EIADHO Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001171563777 1049756936 /nfs/dbraw/zinc/75/69/36/1049756936.db2.gz MJMSILRNFOCPAX-SIKLNZKXSA-N 1 3 338.539 4.263 20 0 EIADHO Cc1ccccc1OC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171628715 1049762701 /nfs/dbraw/zinc/76/27/01/1049762701.db2.gz HNOHBWDKFVKOND-UHFFFAOYSA-N 1 3 344.543 4.490 20 0 EIADHO CN1C(C)(C)CC([NH2+]CCCOc2ccc(Cl)cc2)CC1(C)C ZINC001171619049 1049766640 /nfs/dbraw/zinc/76/66/40/1049766640.db2.gz FVXJYXYXQXSTCW-UHFFFAOYSA-N 1 3 338.923 4.350 20 0 EIADHO C[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)[C@@H](O)c1ccc(Cl)cc1 ZINC001171624496 1049767997 /nfs/dbraw/zinc/76/79/97/1049767997.db2.gz UIMTWDBCYZWYOL-CXAGYDPISA-N 1 3 338.923 4.003 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CC1(C)C ZINC001171624833 1049768155 /nfs/dbraw/zinc/76/81/55/1049768155.db2.gz ZIFPUZRZTOENIV-KRWDZBQOSA-N 1 3 334.935 4.438 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC001172104769 1049856673 /nfs/dbraw/zinc/85/66/73/1049856673.db2.gz FZVDUDLMWFEPMS-YYQUZTFQSA-N 1 3 337.305 4.115 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001172104769 1049856675 /nfs/dbraw/zinc/85/66/75/1049856675.db2.gz FZVDUDLMWFEPMS-YYQUZTFQSA-N 1 3 337.305 4.115 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3Br)C2 ZINC001172112810 1049858809 /nfs/dbraw/zinc/85/88/09/1049858809.db2.gz AHZHMCYMNUDEHV-KYZVSKTDSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3Br)C2 ZINC001172112810 1049858812 /nfs/dbraw/zinc/85/88/12/1049858812.db2.gz AHZHMCYMNUDEHV-KYZVSKTDSA-N 1 3 349.316 4.041 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(C(F)(F)F)cc31)C2 ZINC001172110675 1049859258 /nfs/dbraw/zinc/85/92/58/1049859258.db2.gz LIWXPSIRGKURKA-KYHPRHEASA-N 1 3 338.417 4.298 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(C(F)(F)F)cc31)C2 ZINC001172110675 1049859262 /nfs/dbraw/zinc/85/92/62/1049859262.db2.gz LIWXPSIRGKURKA-KYHPRHEASA-N 1 3 338.417 4.298 20 0 EIADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001172578993 1049951682 /nfs/dbraw/zinc/95/16/82/1049951682.db2.gz TYZPFXSKYOZBLH-YUELXQCFSA-N 1 3 344.877 4.402 20 0 EIADHO Clc1ccc2c(c1)C[C@@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172717002 1049963902 /nfs/dbraw/zinc/96/39/02/1049963902.db2.gz VAZPHKHLLIUKTF-KKSFZXQISA-N 1 3 344.930 4.218 20 0 EIADHO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001172717002 1049963904 /nfs/dbraw/zinc/96/39/04/1049963904.db2.gz VAZPHKHLLIUKTF-KKSFZXQISA-N 1 3 344.930 4.218 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000248410271 1050055144 /nfs/dbraw/zinc/05/51/44/1050055144.db2.gz XWFVSDGZTDXWMT-RMJJICAUSA-N 1 3 344.543 4.430 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC001177506866 1050231315 /nfs/dbraw/zinc/23/13/15/1050231315.db2.gz VBLTTZFPGDJQKE-UHFFFAOYSA-N 1 3 328.422 4.146 20 0 EIADHO N[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@H]1F ZINC001206187035 1050266853 /nfs/dbraw/zinc/26/68/53/1050266853.db2.gz SPPOBVFIHDKCNA-MOPGFXCFSA-N 1 3 348.849 4.394 20 0 EIADHO N[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@H]1F ZINC001206187035 1050266857 /nfs/dbraw/zinc/26/68/57/1050266857.db2.gz SPPOBVFIHDKCNA-MOPGFXCFSA-N 1 3 348.849 4.394 20 0 EIADHO CC[NH+](CC)C1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC001173103488 1050305217 /nfs/dbraw/zinc/30/52/17/1050305217.db2.gz JMZAIMFMBCYIHS-QETWGEEDSA-N 1 3 337.511 4.414 20 0 EIADHO CC[NH+](CC)C1CCC(N[C@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173107683 1050308352 /nfs/dbraw/zinc/30/83/52/1050308352.db2.gz JETZPNYQMGRDSF-DQPZFDDXSA-N 1 3 338.442 4.031 20 0 EIADHO CCCOC1CCC(N2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001173099765 1050322642 /nfs/dbraw/zinc/32/26/42/1050322642.db2.gz SFACDBXDMQZTFD-UHFFFAOYSA-N 1 3 344.543 4.321 20 0 EIADHO CCCOC1CCC(N2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001173099765 1050322650 /nfs/dbraw/zinc/32/26/50/1050322650.db2.gz SFACDBXDMQZTFD-UHFFFAOYSA-N 1 3 344.543 4.321 20 0 EIADHO C[C@@H](CC[NH2+]Cc1nccc2ccccc21)N(C)Cc1ccccc1 ZINC001177962877 1050332302 /nfs/dbraw/zinc/33/23/02/1050332302.db2.gz UZQRYYUOPCASER-SFHVURJKSA-N 1 3 333.479 4.235 20 0 EIADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198161 1050342881 /nfs/dbraw/zinc/34/28/81/1050342881.db2.gz PCWCUJDIATVAOR-JSOIOWGOSA-N 1 3 330.516 4.231 20 0 EIADHO COc1ccc(C[NH2+]C2CCN(C3CCCC3)CC2)c2ccccc12 ZINC001177947794 1050344161 /nfs/dbraw/zinc/34/41/61/1050344161.db2.gz AABYTCMYAIIIMV-UHFFFAOYSA-N 1 3 338.495 4.345 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2c1CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001178331335 1050438864 /nfs/dbraw/zinc/43/88/64/1050438864.db2.gz QCNMOXNMEMRELY-XMSQKQJNSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@@H](NCc1cccc2c1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178331335 1050438867 /nfs/dbraw/zinc/43/88/67/1050438867.db2.gz QCNMOXNMEMRELY-XMSQKQJNSA-N 1 3 334.507 4.176 20 0 EIADHO C[C@@H](NCc1cccc2c1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178331335 1050438876 /nfs/dbraw/zinc/43/88/76/1050438876.db2.gz QCNMOXNMEMRELY-XMSQKQJNSA-N 1 3 334.507 4.176 20 0 EIADHO CCSC[C@@H](C)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173316898 1050438794 /nfs/dbraw/zinc/43/87/94/1050438794.db2.gz ZXJXFAKGJBTVDR-QUCCMNQESA-N 1 3 332.557 4.116 20 0 EIADHO CCSC[C@@H](C)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173316898 1050438796 /nfs/dbraw/zinc/43/87/96/1050438796.db2.gz ZXJXFAKGJBTVDR-QUCCMNQESA-N 1 3 332.557 4.116 20 0 EIADHO Cc1ccccc1N(C)c1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206200337 1050454486 /nfs/dbraw/zinc/45/44/86/1050454486.db2.gz RDIFAKHMJAFRJT-UXHICEINSA-N 1 3 341.474 4.024 20 0 EIADHO C[N@H+](C1Cc2cc(F)c(F)cc2C1)C1CCN(C2CCCCC2)CC1 ZINC001173481575 1050461808 /nfs/dbraw/zinc/46/18/08/1050461808.db2.gz MZFZEPMIYUYRPZ-UHFFFAOYSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@@H+](C1Cc2cc(F)c(F)cc2C1)C1CCN(C2CCCCC2)CC1 ZINC001173481575 1050461814 /nfs/dbraw/zinc/46/18/14/1050461814.db2.gz MZFZEPMIYUYRPZ-UHFFFAOYSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCc2ccc(Nc3cccc(C[NH+]4CCCCC4)c3)cc2C1 ZINC001204128287 1050525667 /nfs/dbraw/zinc/52/56/67/1050525667.db2.gz RQYXNVDQWRZKET-UHFFFAOYSA-N 1 3 335.495 4.404 20 0 EIADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC001178882271 1050576776 /nfs/dbraw/zinc/57/67/76/1050576776.db2.gz VDSPYRLOFICQEI-SFHVURJKSA-N 1 3 331.548 4.133 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccccc1N(C)C ZINC000093941674 1050724038 /nfs/dbraw/zinc/72/40/38/1050724038.db2.gz XKMPQMRZSVAAOP-GOSISDBHSA-N 1 3 339.527 4.445 20 0 EIADHO CC[NH+](CC)CC[C@H](N[C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccccc1 ZINC001179805561 1050784376 /nfs/dbraw/zinc/78/43/76/1050784376.db2.gz KBJKKAICFGUQIW-KJJMTIBFSA-N 1 3 344.543 4.254 20 0 EIADHO CC[NH+](CC)CCO[C@@H]1CCN(C/C=C\c2cc(C)c(C)cc2C)C1 ZINC001180081738 1050876785 /nfs/dbraw/zinc/87/67/85/1050876785.db2.gz NLLAXUWXTMNCQD-FMFFHWJCSA-N 1 3 344.543 4.058 20 0 EIADHO Fc1cccc(/C=C\CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001180125219 1050892629 /nfs/dbraw/zinc/89/26/29/1050892629.db2.gz WFEXFPNTNTWLOY-VURMDHGXSA-N 1 3 330.491 4.427 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@H](C)CSC)cc1CN1CCCCC1 ZINC000182995993 1050926109 /nfs/dbraw/zinc/92/61/09/1050926109.db2.gz RIBHBZONMAPQAY-HZPDHXFCSA-N 1 3 336.545 4.083 20 0 EIADHO COc1ccc(SCCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180795288 1051080888 /nfs/dbraw/zinc/08/08/88/1051080888.db2.gz UOTZOKJBQUHDPF-IAGOWNOFSA-N 1 3 348.556 4.030 20 0 EIADHO COc1ccc(SCCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180795288 1051080890 /nfs/dbraw/zinc/08/08/90/1051080890.db2.gz UOTZOKJBQUHDPF-IAGOWNOFSA-N 1 3 348.556 4.030 20 0 EIADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1CN1CCCCC1 ZINC000775397087 1051211080 /nfs/dbraw/zinc/21/10/80/1051211080.db2.gz SZUZXDFVXOFMRC-VQIMIIECSA-N 1 3 348.556 4.227 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)ccc1OC ZINC000775398525 1051229094 /nfs/dbraw/zinc/22/90/94/1051229094.db2.gz AKWVPSSFMLKQPC-OKZBNKHCSA-N 1 3 348.531 4.003 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)ccc1OC ZINC000775402069 1051235545 /nfs/dbraw/zinc/23/55/45/1051235545.db2.gz YQIDAHJZTHNQGC-FGTMMUONSA-N 1 3 348.531 4.003 20 0 EIADHO CS[C@H]1CC[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063340 1051388073 /nfs/dbraw/zinc/38/80/73/1051388073.db2.gz TXTZABLRTDWYBG-PZJWPPBQSA-N 1 3 346.584 4.362 20 0 EIADHO CS[C@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063340 1051388082 /nfs/dbraw/zinc/38/80/82/1051388082.db2.gz TXTZABLRTDWYBG-PZJWPPBQSA-N 1 3 346.584 4.362 20 0 EIADHO CCNc1ccccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001183887628 1051915297 /nfs/dbraw/zinc/91/52/97/1051915297.db2.gz ZOQHEAWWSJPRGO-IRLDBZIGSA-N 1 3 349.522 4.072 20 0 EIADHO CCNc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001183887628 1051915313 /nfs/dbraw/zinc/91/53/13/1051915313.db2.gz ZOQHEAWWSJPRGO-IRLDBZIGSA-N 1 3 349.522 4.072 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](NC/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414913742 1051982879 /nfs/dbraw/zinc/98/28/79/1051982879.db2.gz JPUQDRZYYVKOQO-PWEFBKGJSA-N 1 3 336.479 4.138 20 0 EIADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)cc(C)c1OC(F)F ZINC000073650530 1052134568 /nfs/dbraw/zinc/13/45/68/1052134568.db2.gz XKGSLLJUVUPXBO-UHFFFAOYSA-N 1 3 348.437 4.256 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000177976588 1052695186 /nfs/dbraw/zinc/69/51/86/1052695186.db2.gz TVCWEEAWNAOCIK-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000177976588 1052695190 /nfs/dbraw/zinc/69/51/90/1052695190.db2.gz TVCWEEAWNAOCIK-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO C[C@H]1C[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@@H+]1C ZINC000179598272 1052743028 /nfs/dbraw/zinc/74/30/28/1052743028.db2.gz QWFCCIPQIIGIAQ-JCURWCKSSA-N 1 3 326.406 4.229 20 0 EIADHO C[C@H]1C[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000179598272 1052743030 /nfs/dbraw/zinc/74/30/30/1052743030.db2.gz QWFCCIPQIIGIAQ-JCURWCKSSA-N 1 3 326.406 4.229 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000624112848 1052865912 /nfs/dbraw/zinc/86/59/12/1052865912.db2.gz NHDFNVCOWVQAJD-YLJYHZDGSA-N 1 3 343.559 4.300 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000764829329 1053318931 /nfs/dbraw/zinc/31/89/31/1053318931.db2.gz WEPLCKDGNPTICB-CQSZACIVSA-N 1 3 328.422 4.476 20 0 EIADHO C[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000853248802 1053659274 /nfs/dbraw/zinc/65/92/74/1053659274.db2.gz JYYNSFQWTKNIIT-ORYQWCPZSA-N 1 3 336.479 4.156 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCc2cncc3ccccc32)C1 ZINC000866260911 1053666243 /nfs/dbraw/zinc/66/62/43/1053666243.db2.gz PHORDZFIMHHLHA-OALUTQOASA-N 1 3 339.527 4.266 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CCc2ccco2)ccc1OC ZINC000121026603 1053698003 /nfs/dbraw/zinc/69/80/03/1053698003.db2.gz RQCLZPRCUPTINE-INIZCTEOSA-N 1 3 330.472 4.023 20 0 EIADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000765704717 1053851629 /nfs/dbraw/zinc/85/16/29/1053851629.db2.gz ZEQKDTGUVDKPLU-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000765704717 1053851637 /nfs/dbraw/zinc/85/16/37/1053851637.db2.gz ZEQKDTGUVDKPLU-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000765704717 1053851645 /nfs/dbraw/zinc/85/16/45/1053851645.db2.gz ZEQKDTGUVDKPLU-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856558423 1054084790 /nfs/dbraw/zinc/08/47/90/1054084790.db2.gz IGNGOVBHKKLAIH-XLIONFOSSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856558423 1054084801 /nfs/dbraw/zinc/08/48/01/1054084801.db2.gz IGNGOVBHKKLAIH-XLIONFOSSA-N 1 3 347.547 4.057 20 0 EIADHO COc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)cc1CN1CCCCC1 ZINC000776891810 1054095340 /nfs/dbraw/zinc/09/53/40/1054095340.db2.gz YLTXKOKDCCTHKM-KRWDZBQOSA-N 1 3 348.531 4.147 20 0 EIADHO c1ccc2c(c1)CC[N@@H+](CCCNCc1ccc(C3CCC3)cc1)C2 ZINC001199238760 1054369736 /nfs/dbraw/zinc/36/97/36/1054369736.db2.gz SJWXUZNOMOKGOL-UHFFFAOYSA-N 1 3 334.507 4.492 20 0 EIADHO c1ccc2c(c1)CC[N@H+](CCCNCc1ccc(C3CCC3)cc1)C2 ZINC001199238760 1054369748 /nfs/dbraw/zinc/36/97/48/1054369748.db2.gz SJWXUZNOMOKGOL-UHFFFAOYSA-N 1 3 334.507 4.492 20 0 EIADHO Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)ccn1 ZINC000858169032 1054432283 /nfs/dbraw/zinc/43/22/83/1054432283.db2.gz VXHVOYYYRINMCP-FRIKZZABSA-N 1 3 335.495 4.065 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)cc1CN1CCCCC1 ZINC000777147964 1054851459 /nfs/dbraw/zinc/85/14/59/1054851459.db2.gz BYSLJYASCLODGS-INIZCTEOSA-N 1 3 328.500 4.274 20 0 EIADHO C[C@@H](CC[NH2+]Cc1cc2nc(Cl)ccc2s1)N1CCCCC1 ZINC001201962954 1054967945 /nfs/dbraw/zinc/96/79/45/1054967945.db2.gz KHDJKCPFZKYODU-ZDUSSCGKSA-N 1 3 337.920 4.304 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474710958 1055997797 /nfs/dbraw/zinc/99/77/97/1055997797.db2.gz JZUPHWQZICZLLK-NUWOQIAWSA-N 1 3 334.470 4.454 20 0 EIADHO CCCCN1CCC([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000742722895 1058738031 /nfs/dbraw/zinc/73/80/31/1058738031.db2.gz ATMAUKMLGDPXCR-UHFFFAOYSA-N 1 3 340.458 4.259 20 0 EIADHO CC[N@H+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000743873775 1059200328 /nfs/dbraw/zinc/20/03/28/1059200328.db2.gz VCRGOBKRBQMJMO-IRXDYDNUSA-N 1 3 341.326 4.024 20 0 EIADHO CC[N@@H+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000743873775 1059200349 /nfs/dbraw/zinc/20/03/49/1059200349.db2.gz VCRGOBKRBQMJMO-IRXDYDNUSA-N 1 3 341.326 4.024 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OCC3CCCCC3)c1)C2 ZINC001169108065 1060658468 /nfs/dbraw/zinc/65/84/68/1060658468.db2.gz NVHNJUNBTOJGFD-MZADTFQBSA-N 1 3 342.527 4.361 20 0 EIADHO CC1(C)C[C@@H](Nc2cc(CN3CCCCC3)ccn2)C[C@@](C)(C[NH3+])C1 ZINC001169140944 1060660805 /nfs/dbraw/zinc/66/08/05/1060660805.db2.gz ICECNJSBYUWCRV-WIYYLYMNSA-N 1 3 344.547 4.023 20 0 EIADHO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000078847304 217134011 /nfs/dbraw/zinc/13/40/11/217134011.db2.gz RMNSWSDTZCVFLZ-LLGFUMIMSA-N 1 3 348.506 4.098 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000532214761 1032096174 /nfs/dbraw/zinc/09/61/74/1032096174.db2.gz LCFFWJGJKWZARJ-LSDHHAIUSA-N 1 3 339.321 4.220 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529575085 1032456015 /nfs/dbraw/zinc/45/60/15/1032456015.db2.gz PTTVBMCICXBFGK-WMZOPIPTSA-N 1 3 336.470 4.312 20 0 EIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(Cl)c(OC)c2)c1 ZINC000623403307 1032457463 /nfs/dbraw/zinc/45/74/63/1032457463.db2.gz RJLBCBTUDKXMRC-UHFFFAOYSA-N 1 3 332.875 4.090 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(Cl)c(OC)c2)c1 ZINC000623403307 1032457467 /nfs/dbraw/zinc/45/74/67/1032457467.db2.gz RJLBCBTUDKXMRC-UHFFFAOYSA-N 1 3 332.875 4.090 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000631108896 1019974670 /nfs/dbraw/zinc/97/46/70/1019974670.db2.gz IBFWDCZZCOPVOM-QAPCUYQASA-N 1 3 345.437 4.019 20 0 EIADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000655805517 1020971965 /nfs/dbraw/zinc/97/19/65/1020971965.db2.gz OTRTYFXBVFRADQ-NQYLQCIDSA-N 1 3 346.877 4.498 20 0 EIADHO C([C@H]1CCCN(CC2([C@H]3CCCCO3)CCC2)C1)[NH+]1CCCCCC1 ZINC001167326741 1021129299 /nfs/dbraw/zinc/12/92/99/1021129299.db2.gz PZNQJMKXBZEGJD-NHCUHLMSSA-N 1 3 348.575 4.314 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000178012036 1021856468 /nfs/dbraw/zinc/85/64/68/1021856468.db2.gz ZSMUOTLUNZWRIW-QGZVFWFLSA-N 1 3 338.495 4.313 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000178012036 1021856471 /nfs/dbraw/zinc/85/64/71/1021856471.db2.gz ZSMUOTLUNZWRIW-QGZVFWFLSA-N 1 3 338.495 4.313 20 0 EIADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414106243 1021860069 /nfs/dbraw/zinc/86/00/69/1021860069.db2.gz IFZPMMGQCPZIHU-HNNXBMFYSA-N 1 3 329.513 4.193 20 0 EIADHO COc1ccsc1[C@H](C)[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000471580443 1022062705 /nfs/dbraw/zinc/06/27/05/1022062705.db2.gz IFUKFAYONTXUKZ-CVEARBPZSA-N 1 3 332.513 4.318 20 0 EIADHO COc1ccsc1[C@@H](C)[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000471580445 1022064073 /nfs/dbraw/zinc/06/40/73/1022064073.db2.gz IFUKFAYONTXUKZ-HZPDHXFCSA-N 1 3 332.513 4.318 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1 ZINC000398097550 1022220847 /nfs/dbraw/zinc/22/08/47/1022220847.db2.gz KWUSLTALRXMGNE-OXQOHEQNSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1 ZINC000398097550 1022220853 /nfs/dbraw/zinc/22/08/53/1022220853.db2.gz KWUSLTALRXMGNE-OXQOHEQNSA-N 1 3 328.887 4.340 20 0 EIADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000564435591 1022395114 /nfs/dbraw/zinc/39/51/14/1022395114.db2.gz JMNJOAOUXSCSLL-LSDHHAIUSA-N 1 3 328.422 4.130 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000545461204 1022870842 /nfs/dbraw/zinc/87/08/42/1022870842.db2.gz SEMYOSDJWXHMQS-UIAACRFSSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000545461204 1022870846 /nfs/dbraw/zinc/87/08/46/1022870846.db2.gz SEMYOSDJWXHMQS-UIAACRFSSA-N 1 3 343.902 4.091 20 0 EIADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000423497999 1022927829 /nfs/dbraw/zinc/92/78/29/1022927829.db2.gz AVVDITJPSCFLFJ-IMXXYGAVSA-N 1 3 340.433 4.089 20 0 EIADHO CC[NH+]1CCC(CCN[C@H](C)c2sccc2Br)CC1 ZINC000531724579 1033092635 /nfs/dbraw/zinc/09/26/35/1033092635.db2.gz DVNFTFYXDFZOHU-GFCCVEGCSA-N 1 3 345.350 4.283 20 0 EIADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000310714685 1023427354 /nfs/dbraw/zinc/42/73/54/1023427354.db2.gz VKIBXSTUSBWXDC-LJQANCHMSA-N 1 3 348.494 4.045 20 0 EIADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000310714685 1023427361 /nfs/dbraw/zinc/42/73/61/1023427361.db2.gz VKIBXSTUSBWXDC-LJQANCHMSA-N 1 3 348.494 4.045 20 0 EIADHO c1ccc([C@H]2C[C@@H](NCCOc3ccc4ccccc4c3)CC[NH2+]2)cc1 ZINC000415086976 1023436982 /nfs/dbraw/zinc/43/69/82/1023436982.db2.gz SJQINOZRQMWVLN-JTHBVZDNSA-N 1 3 346.474 4.302 20 0 EIADHO C[C@@H](NC1CCC([N@H+](C)Cc2ccccc2)CC1)c1cscn1 ZINC000581737911 1023658535 /nfs/dbraw/zinc/65/85/35/1023658535.db2.gz WEHQICVRNBCLHV-FAEJEUNOSA-N 1 3 329.513 4.237 20 0 EIADHO C[C@@H](NC1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cscn1 ZINC000581737911 1023658541 /nfs/dbraw/zinc/65/85/41/1023658541.db2.gz WEHQICVRNBCLHV-FAEJEUNOSA-N 1 3 329.513 4.237 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(F)ccc1Br ZINC000020049122 1023713792 /nfs/dbraw/zinc/71/37/92/1023713792.db2.gz XRXXHEBZOWTWRG-ZDUSSCGKSA-N 1 3 345.300 4.188 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2(SC)CC2)ccc1OC ZINC000193830387 1023728510 /nfs/dbraw/zinc/72/85/10/1023728510.db2.gz DKDUTXUFXCETKS-HNNXBMFYSA-N 1 3 336.545 4.083 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000178202998 1023831175 /nfs/dbraw/zinc/83/11/75/1023831175.db2.gz NRLMBDJFGDQOQO-KRWDZBQOSA-N 1 3 338.495 4.314 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216790 1033191725 /nfs/dbraw/zinc/19/17/25/1033191725.db2.gz ZGYBRBIMGYDIHW-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000301216790 1033191740 /nfs/dbraw/zinc/19/17/40/1033191740.db2.gz ZGYBRBIMGYDIHW-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510699554 1024251920 /nfs/dbraw/zinc/25/19/20/1024251920.db2.gz BZSMHBUQTFDQRG-NVXWUHKLSA-N 1 3 342.449 4.348 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](CC(C)C)c2ccc(F)cc2)CC1 ZINC000652148224 1024327935 /nfs/dbraw/zinc/32/79/35/1024327935.db2.gz RLHSKWXDKBYMJX-FQEVSTJZSA-N 1 3 336.495 4.003 20 0 EIADHO Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662278577 1025025874 /nfs/dbraw/zinc/02/58/74/1025025874.db2.gz HELVGZNCAONQGR-OAHLLOKOSA-N 1 3 343.540 4.414 20 0 EIADHO Clc1ccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000262041160 1025824885 /nfs/dbraw/zinc/82/48/85/1025824885.db2.gz PEKSGUHNEWTVQS-UHFFFAOYSA-N 1 3 347.915 4.039 20 0 EIADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409160 1025878512 /nfs/dbraw/zinc/87/85/12/1025878512.db2.gz FGQFWCAWVCEDBS-ROUUACIJSA-N 1 3 348.531 4.015 20 0 EIADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409160 1025878514 /nfs/dbraw/zinc/87/85/14/1025878514.db2.gz FGQFWCAWVCEDBS-ROUUACIJSA-N 1 3 348.531 4.015 20 0 EIADHO C[C@H](C[NH2+][C@H](C)c1cccc(OC(F)F)c1)CN1CCCCC1 ZINC000390933914 1026093447 /nfs/dbraw/zinc/09/34/47/1026093447.db2.gz IHMSCUZAYPUUBQ-HUUCEWRRSA-N 1 3 326.431 4.061 20 0 EIADHO CCOc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)c(C)c1 ZINC000657347540 1026212431 /nfs/dbraw/zinc/21/24/31/1026212431.db2.gz BCWJNROWVGBUCR-UHFFFAOYSA-N 1 3 326.484 4.135 20 0 EIADHO CCOc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)c(C)c1 ZINC000657347540 1026212443 /nfs/dbraw/zinc/21/24/43/1026212443.db2.gz BCWJNROWVGBUCR-UHFFFAOYSA-N 1 3 326.484 4.135 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)C1 ZINC000163260804 1026360918 /nfs/dbraw/zinc/36/09/18/1026360918.db2.gz FQFHKBRGBWPGMZ-JSGCOSHPSA-N 1 3 335.542 4.172 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@H](C)C1 ZINC000132698301 1026566019 /nfs/dbraw/zinc/56/60/19/1026566019.db2.gz ITARHSAFPBFCMO-APWZRJJASA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@H](C)C1 ZINC000132698301 1026566030 /nfs/dbraw/zinc/56/60/30/1026566030.db2.gz ITARHSAFPBFCMO-APWZRJJASA-N 1 3 346.540 4.128 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@H](C)[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000441107024 1027275629 /nfs/dbraw/zinc/27/56/29/1027275629.db2.gz WNMUZKYXZQAXDA-KSZLIROESA-N 1 3 344.634 4.200 20 0 EIADHO CS[C@@H]1CCCCN(CC[C@H](C)[N@H+]2CCCC[C@H](SC)C2)C1 ZINC000441107024 1027275656 /nfs/dbraw/zinc/27/56/56/1027275656.db2.gz WNMUZKYXZQAXDA-KSZLIROESA-N 1 3 344.634 4.200 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000346870254 1028803605 /nfs/dbraw/zinc/80/36/05/1028803605.db2.gz LSLLFWLRJBCPSN-ROUUACIJSA-N 1 3 340.515 4.096 20 0 EIADHO Clc1cccc2c1SCC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635013018 1028822387 /nfs/dbraw/zinc/82/23/87/1028822387.db2.gz YONHOBNHDUCBJX-GOSISDBHSA-N 1 3 344.911 4.312 20 0 EIADHO CC(C)C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000647302039 1028993362 /nfs/dbraw/zinc/99/33/62/1028993362.db2.gz PKUBGQGLNVZYJC-UNMCSNQZSA-N 1 3 337.511 4.281 20 0 EIADHO CC(C)C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000647302039 1028993382 /nfs/dbraw/zinc/99/33/82/1028993382.db2.gz PKUBGQGLNVZYJC-UNMCSNQZSA-N 1 3 337.511 4.281 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000584140660 1029639971 /nfs/dbraw/zinc/63/99/71/1029639971.db2.gz SBADXBSZNSHYNR-LAUBAEHRSA-N 1 3 338.495 4.134 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000584140660 1029639977 /nfs/dbraw/zinc/63/99/77/1029639977.db2.gz SBADXBSZNSHYNR-LAUBAEHRSA-N 1 3 338.495 4.134 20 0 EIADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc(C2CC2)c1 ZINC000708502468 1029743947 /nfs/dbraw/zinc/74/39/47/1029743947.db2.gz HNSCXKKPRRKWIP-JPYJTQIMSA-N 1 3 334.507 4.422 20 0 EIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1cccc(C2CC2)c1 ZINC000708502468 1029743952 /nfs/dbraw/zinc/74/39/52/1029743952.db2.gz HNSCXKKPRRKWIP-JPYJTQIMSA-N 1 3 334.507 4.422 20 0 EIADHO C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000089552528 1029854669 /nfs/dbraw/zinc/85/46/69/1029854669.db2.gz YXQGNGKSKOBELW-QVKFZJNVSA-N 1 3 342.458 4.104 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](c2cccnc2)C(C)C)cc1 ZINC000091267344 1029882686 /nfs/dbraw/zinc/88/26/86/1029882686.db2.gz QCCYUGGNFVMXJV-OAQYLSRUSA-N 1 3 325.500 4.410 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000171126486 1030061016 /nfs/dbraw/zinc/06/10/16/1030061016.db2.gz SFDNCCNUXFRNOY-CQSZACIVSA-N 1 3 347.300 4.362 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)NCc1cscc1Br ZINC000302676841 1030246458 /nfs/dbraw/zinc/24/64/58/1030246458.db2.gz NVUSBYJQQMBYGW-GFCCVEGCSA-N 1 3 333.339 4.111 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2n[nH]c3ccccc32)CC1)CC(C)C ZINC000685462660 1030340229 /nfs/dbraw/zinc/34/02/29/1030340229.db2.gz SJAXQSRFTVARFG-UHFFFAOYSA-N 1 3 342.531 4.143 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2n[nH]c3ccccc32)CC1)CC(C)C ZINC000685462660 1030340248 /nfs/dbraw/zinc/34/02/48/1030340248.db2.gz SJAXQSRFTVARFG-UHFFFAOYSA-N 1 3 342.531 4.143 20 0 EIADHO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cc2cnccc2o1 ZINC000657898542 1030406989 /nfs/dbraw/zinc/40/69/89/1030406989.db2.gz DBMULIXHZUMEJH-DLBZAZTESA-N 1 3 337.467 4.389 20 0 EIADHO COCCCC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000527241352 1030571006 /nfs/dbraw/zinc/57/10/06/1030571006.db2.gz WZTQJDFLTGYOSB-OAQYLSRUSA-N 1 3 330.516 4.008 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000548851783 1030633037 /nfs/dbraw/zinc/63/30/37/1030633037.db2.gz FHCPGEDZZOCZAD-IPJDOKCGSA-N 1 3 326.406 4.040 20 0 EIADHO C/C(=C\c1ccccc1C(F)(F)F)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000548851783 1030633046 /nfs/dbraw/zinc/63/30/46/1030633046.db2.gz FHCPGEDZZOCZAD-IPJDOKCGSA-N 1 3 326.406 4.040 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000398037980 1030691637 /nfs/dbraw/zinc/69/16/37/1030691637.db2.gz QOMYXALHUONLMM-LLGFUMIMSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000398037980 1030691645 /nfs/dbraw/zinc/69/16/45/1030691645.db2.gz QOMYXALHUONLMM-LLGFUMIMSA-N 1 3 326.459 4.387 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C(F)F)nc1 ZINC000658041827 1030794326 /nfs/dbraw/zinc/79/43/26/1030794326.db2.gz JCVLEWJOVVTAMN-QGTPRVQTSA-N 1 3 345.437 4.015 20 0 EIADHO c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168781 1030864564 /nfs/dbraw/zinc/86/45/64/1030864564.db2.gz YSOOTCPXIWSFSZ-PKTZIBPZSA-N 1 3 349.522 4.220 20 0 EIADHO Cc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)s1 ZINC000658167361 1030864639 /nfs/dbraw/zinc/86/46/39/1030864639.db2.gz RTUDPDAVYKFGEO-INIZCTEOSA-N 1 3 343.540 4.323 20 0 EIADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000658168411 1030865452 /nfs/dbraw/zinc/86/54/52/1030865452.db2.gz WVNFJHVNUUIYHA-VGOFRKELSA-N 1 3 335.495 4.132 20 0 EIADHO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1cccc(CO)c1 ZINC000305665115 1031212356 /nfs/dbraw/zinc/21/23/56/1031212356.db2.gz TZOQSYYUZNMIRA-SFHVURJKSA-N 1 3 338.495 4.016 20 0 EIADHO CCC1(CNCc2oc(C)nc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000628231581 1031252595 /nfs/dbraw/zinc/25/25/95/1031252595.db2.gz TYLAUFPLQBYIHH-UHFFFAOYSA-N 1 3 341.499 4.073 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2ccccc2Oc2cccnc2)C[C@@H]1C ZINC000531140006 1031583010 /nfs/dbraw/zinc/58/30/10/1031583010.db2.gz SFKMHDRSDYQSHV-HKUYNNGSSA-N 1 3 339.483 4.179 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2Oc2cccnc2)C[C@@H]1C ZINC000531140006 1031583023 /nfs/dbraw/zinc/58/30/23/1031583023.db2.gz SFKMHDRSDYQSHV-HKUYNNGSSA-N 1 3 339.483 4.179 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)C1 ZINC000163300089 1031593175 /nfs/dbraw/zinc/59/31/75/1031593175.db2.gz CRFXGBNMRHHHBP-QWHCGFSZSA-N 1 3 344.471 4.002 20 0 EIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000127341960 1031687453 /nfs/dbraw/zinc/68/74/53/1031687453.db2.gz MATZZTSUOAOGQV-RLLQIKCJSA-N 1 3 334.548 4.111 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000449556688 1031843241 /nfs/dbraw/zinc/84/32/41/1031843241.db2.gz NLUNPHRZRHYZBH-IHWFROFDSA-N 1 3 336.479 4.077 20 0 EIADHO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(CC(C)C)CC1)CCCO2 ZINC000531941889 1031852903 /nfs/dbraw/zinc/85/29/03/1031852903.db2.gz PLSIPKRFGQALHB-HXUWFJFHSA-N 1 3 330.516 4.227 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000531980330 1031928241 /nfs/dbraw/zinc/92/82/41/1031928241.db2.gz ZZLICZRAQDKBBY-UYAOXDASSA-N 1 3 337.511 4.417 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000531980330 1031928256 /nfs/dbraw/zinc/92/82/56/1031928256.db2.gz ZZLICZRAQDKBBY-UYAOXDASSA-N 1 3 337.511 4.417 20 0 EIADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCN1CCCCC1 ZINC000576388632 1034511251 /nfs/dbraw/zinc/51/12/51/1034511251.db2.gz ULZZBEOGHLFHQH-JQIJEIRASA-N 1 3 338.442 4.157 20 0 EIADHO CC(C)(C)N1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894195607 1034655184 /nfs/dbraw/zinc/65/51/84/1034655184.db2.gz KZQYTXIEMHAGDK-UHFFFAOYSA-N 1 3 337.920 4.302 20 0 EIADHO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C(F)(F)F ZINC000414439529 1035456413 /nfs/dbraw/zinc/45/64/13/1035456413.db2.gz LDTBDVRWXAQYCJ-XYPWUTKMSA-N 1 3 326.406 4.071 20 0 EIADHO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C(F)(F)F ZINC000414439529 1035456416 /nfs/dbraw/zinc/45/64/16/1035456416.db2.gz LDTBDVRWXAQYCJ-XYPWUTKMSA-N 1 3 326.406 4.071 20 0 EIADHO Brc1ccc([C@H]2CCCN2CCC2CC[NH2+]CC2)s1 ZINC000420377147 1035559610 /nfs/dbraw/zinc/55/96/10/1035559610.db2.gz RRLZEZOMUWZFPB-CYBMUJFWSA-N 1 3 343.334 4.037 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2cc3ccc(F)cc3[nH]2)cc1 ZINC000486699298 1036819482 /nfs/dbraw/zinc/81/94/82/1036819482.db2.gz HGGVGHYCDRSJAW-UHFFFAOYSA-N 1 3 339.458 4.439 20 0 EIADHO CCOc1ccc([C@H]2CCCN2C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168392697 1036852681 /nfs/dbraw/zinc/85/26/81/1036852681.db2.gz SBRLOHALUCJXJE-OAQYLSRUSA-N 1 3 328.500 4.097 20 0 EIADHO FC1(F)CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000503043879 1036884193 /nfs/dbraw/zinc/88/41/93/1036884193.db2.gz AUSUJBAESDVYOR-SLFFLAALSA-N 1 3 348.481 4.312 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC/C=C\c2ccncc2)C1 ZINC000486980344 1036930944 /nfs/dbraw/zinc/93/09/44/1036930944.db2.gz MLNZGQKTTZRNBH-SBUVDCAVSA-N 1 3 349.522 4.363 20 0 EIADHO Oc1ccc(C2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1 ZINC000668820336 1037352202 /nfs/dbraw/zinc/35/22/02/1037352202.db2.gz UGHIPQHHVRVQEF-JSOIOWGOSA-N 1 3 342.527 4.130 20 0 EIADHO C/C(=C\c1ccccc1)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000488459043 1037600878 /nfs/dbraw/zinc/60/08/78/1037600878.db2.gz NCNAKZCMSKCHLL-UEAVEIDSSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C\c1ccccc1)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000488459043 1037600897 /nfs/dbraw/zinc/60/08/97/1037600897.db2.gz NCNAKZCMSKCHLL-UEAVEIDSSA-N 1 3 334.507 4.244 20 0 EIADHO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000488459043 1037600910 /nfs/dbraw/zinc/60/09/10/1037600910.db2.gz NCNAKZCMSKCHLL-UEAVEIDSSA-N 1 3 334.507 4.244 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000422733078 1037809033 /nfs/dbraw/zinc/80/90/33/1037809033.db2.gz QNSGJKIIMZSKIE-NEPJUHHUSA-N 1 3 337.389 4.279 20 0 EIADHO C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000422745347 1037824500 /nfs/dbraw/zinc/82/45/00/1037824500.db2.gz MDZNLDSIVONFDC-ADLFWFRXSA-N 1 3 342.870 4.247 20 0 EIADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(Cl)c1 ZINC000422748885 1037826004 /nfs/dbraw/zinc/82/60/04/1037826004.db2.gz WPUQIYRVBOMEOS-QMIHWGKISA-N 1 3 342.870 4.247 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000422788109 1037834667 /nfs/dbraw/zinc/83/46/67/1037834667.db2.gz VESUDZWLVGQYRW-LIRRHRJNSA-N 1 3 329.463 4.426 20 0 EIADHO Cc1ccc(SC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)cc1 ZINC000422842946 1037850558 /nfs/dbraw/zinc/85/05/58/1037850558.db2.gz ZVBNESDZCLNYPY-JWTNVVGKSA-N 1 3 330.541 4.273 20 0 EIADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)nc1 ZINC000422997588 1037897874 /nfs/dbraw/zinc/89/78/74/1037897874.db2.gz OLXKLVUDFPKWAL-ILWGZMRPSA-N 1 3 335.495 4.149 20 0 EIADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423070845 1037935037 /nfs/dbraw/zinc/93/50/37/1037935037.db2.gz NWXWKXWVLOPYNB-MNOVXSKESA-N 1 3 334.813 4.106 20 0 EIADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)c1 ZINC000423052949 1037936016 /nfs/dbraw/zinc/93/60/16/1037936016.db2.gz RNPRFTVWFAFHQR-BHDDXSALSA-N 1 3 335.495 4.149 20 0 EIADHO COCCCC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccccc1 ZINC000423085557 1037944079 /nfs/dbraw/zinc/94/40/79/1037944079.db2.gz KTYQFOFHVRZCHJ-LAUBAEHRSA-N 1 3 341.499 4.057 20 0 EIADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000574226559 1037957309 /nfs/dbraw/zinc/95/73/09/1037957309.db2.gz LXEUECOKWKUMSH-QRVBRYPASA-N 1 3 348.531 4.014 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCCc2sc(Cl)cc21 ZINC000423126401 1037967554 /nfs/dbraw/zinc/96/75/54/1037967554.db2.gz ISIBCJAIYCFURJ-NHYWBVRUSA-N 1 3 335.904 4.292 20 0 EIADHO Cc1cc([C@@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000423146630 1037999299 /nfs/dbraw/zinc/99/92/99/1037999299.db2.gz PUVDPGSUIITNAQ-MFMILTCTSA-N 1 3 340.442 4.041 20 0 EIADHO Cc1ccsc1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414725638 1038057932 /nfs/dbraw/zinc/05/79/32/1038057932.db2.gz WPOBZUZQWCXBEP-QGZVFWFLSA-N 1 3 332.538 4.262 20 0 EIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423219273 1038064174 /nfs/dbraw/zinc/06/41/74/1038064174.db2.gz SZKPNLYKUGMAFF-VMRPVKRXSA-N 1 3 326.484 4.277 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000423296588 1038121611 /nfs/dbraw/zinc/12/16/11/1038121611.db2.gz ZMBLLRLHJWGMQU-CHWSQXEVSA-N 1 3 338.373 4.456 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423368901 1038186160 /nfs/dbraw/zinc/18/61/60/1038186160.db2.gz DMNIISVCNWNTLY-FPMFFAJLSA-N 1 3 333.476 4.178 20 0 EIADHO CC(C)c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423399737 1038207229 /nfs/dbraw/zinc/20/72/29/1038207229.db2.gz UWVDNYFTSJXMSZ-NRFANRHFSA-N 1 3 336.479 4.417 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc2c1CCCN2 ZINC000423422166 1038213261 /nfs/dbraw/zinc/21/32/61/1038213261.db2.gz YKFWFZVBRHMVBX-PGRDOPGGSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc2c1CCCN2 ZINC000423422166 1038213281 /nfs/dbraw/zinc/21/32/81/1038213281.db2.gz YKFWFZVBRHMVBX-PGRDOPGGSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423444790 1038225196 /nfs/dbraw/zinc/22/51/96/1038225196.db2.gz MCXAKZSBEREZHE-XMSQKQJNSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)CCCN2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423444790 1038225219 /nfs/dbraw/zinc/22/52/19/1038225219.db2.gz MCXAKZSBEREZHE-XMSQKQJNSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)CCCN2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423444790 1038225235 /nfs/dbraw/zinc/22/52/35/1038225235.db2.gz MCXAKZSBEREZHE-XMSQKQJNSA-N 1 3 349.522 4.045 20 0 EIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423499459 1038254194 /nfs/dbraw/zinc/25/41/94/1038254194.db2.gz AYPYWIDUSATFRY-JXFKEZNVSA-N 1 3 326.488 4.129 20 0 EIADHO [NH3+]CCC[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000423499229 1038255196 /nfs/dbraw/zinc/25/51/96/1038255196.db2.gz IZZHRZVFEBWWQT-ROUUACIJSA-N 1 3 330.472 4.432 20 0 EIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423498594 1038255733 /nfs/dbraw/zinc/25/57/33/1038255733.db2.gz IHASLSNIJFDTAJ-XMSQKQJNSA-N 1 3 348.494 4.062 20 0 EIADHO Cc1ccc(-c2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424284649 1038794265 /nfs/dbraw/zinc/79/42/65/1038794265.db2.gz DLHGDIAWHCCYRJ-MRXNPFEDSA-N 1 3 341.524 4.083 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424311948 1038798545 /nfs/dbraw/zinc/79/85/45/1038798545.db2.gz LNZKKMFZBSLTNU-RBUKOAKNSA-N 1 3 343.540 4.137 20 0 EIADHO CCc1ccc([C@H](CC)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000539058430 1038805224 /nfs/dbraw/zinc/80/52/24/1038805224.db2.gz JONIJNGJMLMQFX-FDFHNCONSA-N 1 3 344.543 4.058 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+][C@@H](CC2CC2)c2ccccc2)C[C@H](C)O1 ZINC000539071188 1038820965 /nfs/dbraw/zinc/82/09/65/1038820965.db2.gz FRCBNMYLFVGSSE-UEXGIBASSA-N 1 3 330.516 4.007 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555232556 1038999371 /nfs/dbraw/zinc/99/93/71/1038999371.db2.gz HVPRVHXZAGIKNW-OHCFRWENSA-N 1 3 348.534 4.333 20 0 EIADHO Cc1cc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)cc(C)c1F ZINC000481290633 1039243936 /nfs/dbraw/zinc/24/39/36/1039243936.db2.gz AGQRORYZLWVGDR-KRWDZBQOSA-N 1 3 344.474 4.234 20 0 EIADHO Cc1ccc(C)c([C@@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122306281 1039663640 /nfs/dbraw/zinc/66/36/40/1039663640.db2.gz UELMAHVDWDWIRY-GOSISDBHSA-N 1 3 326.484 4.095 20 0 EIADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000481669055 1039704193 /nfs/dbraw/zinc/70/41/93/1039704193.db2.gz KDMHJYXILWLHCI-BMFZPTHFSA-N 1 3 328.422 4.099 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@@H+]1C ZINC000481740607 1039803706 /nfs/dbraw/zinc/80/37/06/1039803706.db2.gz MUTHHPPYNRGWLB-GQWLDOHISA-N 1 3 344.449 4.321 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@H+]1C ZINC000481740607 1039803708 /nfs/dbraw/zinc/80/37/08/1039803708.db2.gz MUTHHPPYNRGWLB-GQWLDOHISA-N 1 3 344.449 4.321 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccccc2N(C)C)cc1 ZINC000537651879 1039845650 /nfs/dbraw/zinc/84/56/50/1039845650.db2.gz NLZBGUXNTMHVGN-GOSISDBHSA-N 1 3 339.527 4.445 20 0 EIADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414857184 1039896625 /nfs/dbraw/zinc/89/66/25/1039896625.db2.gz BSZWFETYWWLFRL-KRWDZBQOSA-N 1 3 345.531 4.168 20 0 EIADHO Cc1cc2[nH]c(CN3CCC(C[NH+]4CCCC4)CC3)cc2c(C)c1 ZINC000481907940 1039897750 /nfs/dbraw/zinc/89/77/50/1039897750.db2.gz JPBYYOZZEIURJZ-UHFFFAOYSA-N 1 3 325.500 4.093 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133276 1040029859 /nfs/dbraw/zinc/02/98/59/1040029859.db2.gz IXPFWZXKRSIRKW-HOTGVXAUSA-N 1 3 332.488 4.450 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133276 1040029876 /nfs/dbraw/zinc/02/98/76/1040029876.db2.gz IXPFWZXKRSIRKW-HOTGVXAUSA-N 1 3 332.488 4.450 20 0 EIADHO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000482173139 1040059265 /nfs/dbraw/zinc/05/92/65/1040059265.db2.gz XDBIYQXUOKKVAZ-OAQYLSRUSA-N 1 3 349.607 4.249 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000482242600 1040096855 /nfs/dbraw/zinc/09/68/55/1040096855.db2.gz UEZDIMZSLIVIRF-UONOGXRCSA-N 1 3 327.299 4.142 20 0 EIADHO Clc1cccc(Cl)c1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000482242600 1040096876 /nfs/dbraw/zinc/09/68/76/1040096876.db2.gz UEZDIMZSLIVIRF-UONOGXRCSA-N 1 3 327.299 4.142 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2cncn2C(C)C)CC1)CC(C)C ZINC000425378865 1040381494 /nfs/dbraw/zinc/38/14/94/1040381494.db2.gz KHHLGSDGPVCLLN-UHFFFAOYSA-N 1 3 334.552 4.044 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2cncn2C(C)C)CC1)CC(C)C ZINC000425378865 1040381510 /nfs/dbraw/zinc/38/15/10/1040381510.db2.gz KHHLGSDGPVCLLN-UHFFFAOYSA-N 1 3 334.552 4.044 20 0 EIADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995160 1040408645 /nfs/dbraw/zinc/40/86/45/1040408645.db2.gz FABOVAMCWQDFGN-HLAWJBBLSA-N 1 3 342.527 4.374 20 0 EIADHO Cc1ccccc1[C@H](CC(C)C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000483199009 1040757689 /nfs/dbraw/zinc/75/76/89/1040757689.db2.gz NGWMSJMHMOTFDK-UGKGYDQZSA-N 1 3 344.543 4.173 20 0 EIADHO CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000554095978 1040777469 /nfs/dbraw/zinc/77/74/69/1040777469.db2.gz UMPPHGISKIQYKR-KRWDZBQOSA-N 1 3 332.532 4.430 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479440 1040872454 /nfs/dbraw/zinc/87/24/54/1040872454.db2.gz DWSGJCBCXCTQIF-UNMCSNQZSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479440 1040872460 /nfs/dbraw/zinc/87/24/60/1040872460.db2.gz DWSGJCBCXCTQIF-UNMCSNQZSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479440 1040872464 /nfs/dbraw/zinc/87/24/64/1040872464.db2.gz DWSGJCBCXCTQIF-UNMCSNQZSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)CC[C@@H]21 ZINC000483479440 1040872475 /nfs/dbraw/zinc/87/24/75/1040872475.db2.gz DWSGJCBCXCTQIF-UNMCSNQZSA-N 1 3 338.495 4.025 20 0 EIADHO c1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCN2CCCC2)CCC3)cc1 ZINC000480144984 1041000554 /nfs/dbraw/zinc/00/05/54/1041000554.db2.gz GHLIIVXDAOFFPR-KRWDZBQOSA-N 1 3 341.524 4.263 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148276 1041195800 /nfs/dbraw/zinc/19/58/00/1041195800.db2.gz YKEWNEZPRJDYCY-OXJNMPFZSA-N 1 3 326.509 4.268 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148276 1041195814 /nfs/dbraw/zinc/19/58/14/1041195814.db2.gz YKEWNEZPRJDYCY-OXJNMPFZSA-N 1 3 326.509 4.268 20 0 EIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1cccc(Cl)c1 ZINC000924659568 1041232702 /nfs/dbraw/zinc/23/27/02/1041232702.db2.gz LVJGWEJFAJWALK-XVLXNVKGSA-N 1 3 336.907 4.023 20 0 EIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1cccc(Cl)c1 ZINC000924659568 1041232714 /nfs/dbraw/zinc/23/27/14/1041232714.db2.gz LVJGWEJFAJWALK-XVLXNVKGSA-N 1 3 336.907 4.023 20 0 EIADHO C[C@H]1CC([NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C[C@H](C)C1 ZINC000538297609 1041249502 /nfs/dbraw/zinc/24/95/02/1041249502.db2.gz WWTGKOCALYLKSG-HLIPFELVSA-N 1 3 342.527 4.389 20 0 EIADHO C[N@@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301590 1041351729 /nfs/dbraw/zinc/35/17/29/1041351729.db2.gz LQUYJOUCDUESDK-PXAZEXFGSA-N 1 3 327.299 4.376 20 0 EIADHO C[N@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000540301590 1041351742 /nfs/dbraw/zinc/35/17/42/1041351742.db2.gz LQUYJOUCDUESDK-PXAZEXFGSA-N 1 3 327.299 4.376 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 ZINC000540300738 1041352024 /nfs/dbraw/zinc/35/20/24/1041352024.db2.gz DJGITIQOFVTPBD-LJQANCHMSA-N 1 3 338.923 4.128 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000667706286 1041422633 /nfs/dbraw/zinc/42/26/33/1041422633.db2.gz WBQTYGYDSJMMNF-RTBURBONSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1ncsc1-c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000667706286 1041422637 /nfs/dbraw/zinc/42/26/37/1041422637.db2.gz WBQTYGYDSJMMNF-RTBURBONSA-N 1 3 341.524 4.035 20 0 EIADHO Cc1sc([C@H](C)NC2CC(C[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000904363815 1041459165 /nfs/dbraw/zinc/45/91/65/1041459165.db2.gz NPSPENZESJVVHA-VLRKGOCCSA-N 1 3 335.904 4.160 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040595 1041616826 /nfs/dbraw/zinc/61/68/26/1041616826.db2.gz DNZHJXOMVWBMAS-ZIFCJYIRSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040595 1041616831 /nfs/dbraw/zinc/61/68/31/1041616831.db2.gz DNZHJXOMVWBMAS-ZIFCJYIRSA-N 1 3 341.474 4.172 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414909762 1041855036 /nfs/dbraw/zinc/85/50/36/1041855036.db2.gz CKIUBBMSXKSADX-OLZOCXBDSA-N 1 3 340.311 4.084 20 0 EIADHO C[C@@H](Cc1ccsc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541234370 1041859862 /nfs/dbraw/zinc/85/98/62/1041859862.db2.gz DXGODMGBKMCXES-FXAWDEMLSA-N 1 3 328.525 4.133 20 0 EIADHO C[C@@H](Cc1ccsc1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541234370 1041859864 /nfs/dbraw/zinc/85/98/64/1041859864.db2.gz DXGODMGBKMCXES-FXAWDEMLSA-N 1 3 328.525 4.133 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168438777 1042062055 /nfs/dbraw/zinc/06/20/55/1042062055.db2.gz ODZJDEQHKCYARD-RTWAWAEBSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1ccc2c(c1)CC[C@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)C2 ZINC001168438777 1042062061 /nfs/dbraw/zinc/06/20/61/1042062061.db2.gz ODZJDEQHKCYARD-RTWAWAEBSA-N 1 3 330.491 4.023 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425951439 1042067571 /nfs/dbraw/zinc/06/75/71/1042067571.db2.gz MQKMNCBRCRUQQP-LSDHHAIUSA-N 1 3 331.529 4.275 20 0 EIADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464843661 1042193407 /nfs/dbraw/zinc/19/34/07/1042193407.db2.gz XJVNPTYLVZGIGO-LJQANCHMSA-N 1 3 328.887 4.294 20 0 EIADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464843661 1042193412 /nfs/dbraw/zinc/19/34/12/1042193412.db2.gz XJVNPTYLVZGIGO-LJQANCHMSA-N 1 3 328.887 4.294 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCN1 ZINC000414948182 1042336138 /nfs/dbraw/zinc/33/61/38/1042336138.db2.gz LSSXKIUVIMZOES-BASLNEPJSA-N 1 3 326.406 4.072 20 0 EIADHO c1ccc2c(c1)C=C(CNCc1ccccc1C[NH+]1CCCCC1)CO2 ZINC000518272190 1042446084 /nfs/dbraw/zinc/44/60/84/1042446084.db2.gz VJJHBYWWDYYMBB-UHFFFAOYSA-N 1 3 348.490 4.238 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccsc2)cc1 ZINC000178131771 1042859645 /nfs/dbraw/zinc/85/96/45/1042859645.db2.gz ITZUSZOSQJJGBX-MRXNPFEDSA-N 1 3 332.513 4.320 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2ncccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311524983 1042861171 /nfs/dbraw/zinc/86/11/71/1042861171.db2.gz JZUIOWKBHLHJBI-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2ncccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311524983 1042861173 /nfs/dbraw/zinc/86/11/73/1042861173.db2.gz JZUIOWKBHLHJBI-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2ncccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311524983 1042861174 /nfs/dbraw/zinc/86/11/74/1042861174.db2.gz JZUIOWKBHLHJBI-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000388842127 1043061618 /nfs/dbraw/zinc/06/16/18/1043061618.db2.gz YFOLSSDRRPBLHW-WIYYLYMNSA-N 1 3 345.490 4.235 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(-c2cccs2)cc1 ZINC000665238151 1043139806 /nfs/dbraw/zinc/13/98/06/1043139806.db2.gz RPFIMRRVYFZMQD-CQSZACIVSA-N 1 3 337.492 4.428 20 0 EIADHO CC[NH+](CC)CCOC1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000347851109 1043214873 /nfs/dbraw/zinc/21/48/73/1043214873.db2.gz LOJSNAJSQLJNCZ-MRXNPFEDSA-N 1 3 338.923 4.224 20 0 EIADHO CCCc1csc(CNCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000494305903 1043414901 /nfs/dbraw/zinc/41/49/01/1043414901.db2.gz BFCYFCUXDSVINH-UHFFFAOYSA-N 1 3 343.540 4.097 20 0 EIADHO COCCC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000442633205 1043774758 /nfs/dbraw/zinc/77/47/58/1043774758.db2.gz CDGXCWBEZAATNH-FXAWDEMLSA-N 1 3 336.495 4.148 20 0 EIADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000191550240 1043826308 /nfs/dbraw/zinc/82/63/08/1043826308.db2.gz VFIVEOUOCMHTAC-DLBZAZTESA-N 1 3 340.433 4.199 20 0 EIADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000191550240 1043826313 /nfs/dbraw/zinc/82/63/13/1043826313.db2.gz VFIVEOUOCMHTAC-DLBZAZTESA-N 1 3 340.433 4.199 20 0 EIADHO Clc1cccc2c1C[C@H](NC1CC[NH+](CC3CCCCC3)CC1)C2 ZINC001168706718 1043880626 /nfs/dbraw/zinc/88/06/26/1043880626.db2.gz JSKAJFZETOXGLH-LJQANCHMSA-N 1 3 346.946 4.442 20 0 EIADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001168706718 1043880628 /nfs/dbraw/zinc/88/06/28/1043880628.db2.gz JSKAJFZETOXGLH-LJQANCHMSA-N 1 3 346.946 4.442 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494984910 1044569269 /nfs/dbraw/zinc/56/92/69/1044569269.db2.gz HQEDPDXVFVUXNP-OQBYNLHGSA-N 1 3 327.516 4.071 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494984910 1044569291 /nfs/dbraw/zinc/56/92/91/1044569291.db2.gz HQEDPDXVFVUXNP-OQBYNLHGSA-N 1 3 327.516 4.071 20 0 EIADHO C[C@@H]1C[C@@H](NCCOC2CCCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024250 1044606011 /nfs/dbraw/zinc/60/60/11/1044606011.db2.gz CVCIEVNMCLJBMT-CEQLMSFQSA-N 1 3 344.543 4.367 20 0 EIADHO C[C@@H]1C[C@@H](NCCOC2CCCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024250 1044606034 /nfs/dbraw/zinc/60/60/34/1044606034.db2.gz CVCIEVNMCLJBMT-CEQLMSFQSA-N 1 3 344.543 4.367 20 0 EIADHO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N)cc1 ZINC001168028540 1044747804 /nfs/dbraw/zinc/74/78/04/1044747804.db2.gz PGIKSLUUXRPRBE-SUWCGCSTSA-N 1 3 337.511 4.361 20 0 EIADHO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N)cc1 ZINC001168028540 1044747820 /nfs/dbraw/zinc/74/78/20/1044747820.db2.gz PGIKSLUUXRPRBE-SUWCGCSTSA-N 1 3 337.511 4.361 20 0 EIADHO C[C@@H]1C[C@@H]([NH2+]Cc2cncc(Cl)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168028700 1044749734 /nfs/dbraw/zinc/74/97/34/1044749734.db2.gz QGEUYLAMUQNHSJ-CWPLJXCYSA-N 1 3 343.902 4.266 20 0 EIADHO Fc1ccccc1C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000191692333 1044909252 /nfs/dbraw/zinc/90/92/52/1044909252.db2.gz MMVIOGWRHDDVQC-JOCHJYFZSA-N 1 3 338.470 4.326 20 0 EIADHO Cc1nc([C@H](C)N2CC[C@@H](C[NH3+])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000923494884 1045134913 /nfs/dbraw/zinc/13/49/13/1045134913.db2.gz PYRMSXMOXSPFOQ-NOLJZWGESA-N 1 3 347.890 4.281 20 0 EIADHO C[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1cccc2ccccc21 ZINC000495478654 1045154070 /nfs/dbraw/zinc/15/40/70/1045154070.db2.gz DGWCXVOJPCNJOJ-SFHVURJKSA-N 1 3 338.495 4.135 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398025057 1045823356 /nfs/dbraw/zinc/82/33/56/1045823356.db2.gz CATARXGKWSWIJB-KGVIQGDOSA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000398025057 1045823358 /nfs/dbraw/zinc/82/33/58/1045823358.db2.gz CATARXGKWSWIJB-KGVIQGDOSA-N 1 3 338.495 4.256 20 0 EIADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000037150424 1046013352 /nfs/dbraw/zinc/01/33/52/1046013352.db2.gz NOEMQRQVQCTMLW-CQSZACIVSA-N 1 3 339.321 4.364 20 0 EIADHO CCOc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000536673520 1046657348 /nfs/dbraw/zinc/65/73/48/1046657348.db2.gz YJVXHBHEQGHSPB-OAQYLSRUSA-N 1 3 338.495 4.039 20 0 EIADHO CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000536673520 1046657363 /nfs/dbraw/zinc/65/73/63/1046657363.db2.gz YJVXHBHEQGHSPB-OAQYLSRUSA-N 1 3 338.495 4.039 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@@H](C)C1 ZINC000536682263 1046684478 /nfs/dbraw/zinc/68/44/78/1046684478.db2.gz BJCDJJXDORATLU-KKSFZXQISA-N 1 3 326.484 4.011 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@@H](C)C1 ZINC000536682263 1046684489 /nfs/dbraw/zinc/68/44/89/1046684489.db2.gz BJCDJJXDORATLU-KKSFZXQISA-N 1 3 326.484 4.011 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000379615154 1046702089 /nfs/dbraw/zinc/70/20/89/1046702089.db2.gz AFXKGXWHSUNYHN-GHTZIAJQSA-N 1 3 338.495 4.152 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)c1O ZINC000379615154 1046702104 /nfs/dbraw/zinc/70/21/04/1046702104.db2.gz AFXKGXWHSUNYHN-GHTZIAJQSA-N 1 3 338.495 4.152 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3F)CC[N@@H+]1Cc1ccccc1 ZINC000379655811 1046759790 /nfs/dbraw/zinc/75/97/90/1046759790.db2.gz NEORSYVVVRCJQZ-CDMIOBSGSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3F)CC[N@H+]1Cc1ccccc1 ZINC000379655811 1046759803 /nfs/dbraw/zinc/75/98/03/1046759803.db2.gz NEORSYVVVRCJQZ-CDMIOBSGSA-N 1 3 338.470 4.456 20 0 EIADHO CC(C)C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccs1 ZINC000536858749 1046826741 /nfs/dbraw/zinc/82/67/41/1046826741.db2.gz RROCLULKLLAEJZ-BZSNNMDCSA-N 1 3 338.561 4.314 20 0 EIADHO C[NH+]1CCC(CN2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000788011366 1047078416 /nfs/dbraw/zinc/07/84/16/1047078416.db2.gz FXPWGXGAANVHQF-QGZVFWFLSA-N 1 3 327.299 4.472 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806127152 1047147955 /nfs/dbraw/zinc/14/79/55/1047147955.db2.gz ASEIAXDIUYQRAX-SFHVURJKSA-N 1 3 343.902 4.354 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000327729803 1047393435 /nfs/dbraw/zinc/39/34/35/1047393435.db2.gz CTONRHIGORYBRN-JOCHJYFZSA-N 1 3 338.495 4.401 20 0 EIADHO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000129558355 1047430542 /nfs/dbraw/zinc/43/05/42/1047430542.db2.gz XDIOEDIIAWMGDD-DOTOQJQBSA-N 1 3 332.454 4.352 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000129651144 1047456564 /nfs/dbraw/zinc/45/65/64/1047456564.db2.gz MGBXCGXGFDUUGO-YHUYYLMFSA-N 1 3 332.454 4.350 20 0 EIADHO C[C@H]1CC[C@H](N2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001170119645 1047473136 /nfs/dbraw/zinc/47/31/36/1047473136.db2.gz ZJEBULXZCJTYRV-KBPBESRZSA-N 1 3 326.406 4.144 20 0 EIADHO c1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000129754494 1047500463 /nfs/dbraw/zinc/50/04/63/1047500463.db2.gz ZVDGAYLDCXNRIA-PXNSSMCTSA-N 1 3 340.511 4.287 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129803323 1047509337 /nfs/dbraw/zinc/50/93/37/1047509337.db2.gz OOAHYCYVKPMSAQ-MGPQQGTHSA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129803323 1047509349 /nfs/dbraw/zinc/50/93/49/1047509349.db2.gz OOAHYCYVKPMSAQ-MGPQQGTHSA-N 1 3 327.299 4.141 20 0 EIADHO c1c[nH]c([C@@H](NCCCCC[NH+]2CCCCC2)C2CCCCC2)n1 ZINC000556870417 1048090112 /nfs/dbraw/zinc/09/01/12/1048090112.db2.gz FBSGERWRDKELAA-IBGZPJMESA-N 1 3 332.536 4.277 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1(C)C ZINC001171103392 1048187178 /nfs/dbraw/zinc/18/71/78/1048187178.db2.gz ALGJGDUSYWJVIG-KRWDZBQOSA-N 1 3 334.935 4.438 20 0 EIADHO CCn1c2ccccc2nc1[C@@H]1CCCN1CCCCCCC[NH3+] ZINC000844221941 1048225335 /nfs/dbraw/zinc/22/53/35/1048225335.db2.gz OSHKXHSAYDNMMN-IBGZPJMESA-N 1 3 328.504 4.102 20 0 EIADHO C[C@H](CCN1CCC[C@@]2(CC2(F)F)C1)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437257 1048333601 /nfs/dbraw/zinc/33/36/01/1048333601.db2.gz MTLKTALOLQNCTL-OAGGEKHMSA-N 1 3 348.428 4.007 20 0 EIADHO C[C@H](CCN1CCC[C@@]2(CC2(F)F)C1)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437257 1048333613 /nfs/dbraw/zinc/33/36/13/1048333613.db2.gz MTLKTALOLQNCTL-OAGGEKHMSA-N 1 3 348.428 4.007 20 0 EIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](c1ccccc1)C1CCOCC1 ZINC000817893263 1049053053 /nfs/dbraw/zinc/05/30/53/1049053053.db2.gz DENAWHDATNESNL-JRGCBEDISA-N 1 3 330.516 4.055 20 0 EIADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000817897291 1049055393 /nfs/dbraw/zinc/05/53/93/1049055393.db2.gz JQXQYJHLSUXHMS-RYUDHWBXSA-N 1 3 345.350 4.035 20 0 EIADHO CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(CC[NH3+])cc1)CCCO2 ZINC000817949208 1049064674 /nfs/dbraw/zinc/06/46/74/1049064674.db2.gz NWSWFDRRUYTKPC-NRFANRHFSA-N 1 3 338.495 4.315 20 0 EIADHO C[NH+](C)Cc1ccc(CNCc2ccc(-c3ccccc3)o2)cc1F ZINC000136083487 1049324688 /nfs/dbraw/zinc/32/46/88/1049324688.db2.gz HJPDFTUKKWFZBQ-UHFFFAOYSA-N 1 3 338.426 4.437 20 0 EIADHO CN(C)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1F ZINC000136083487 1049324705 /nfs/dbraw/zinc/32/47/05/1049324705.db2.gz HJPDFTUKKWFZBQ-UHFFFAOYSA-N 1 3 338.426 4.437 20 0 EIADHO Fc1cccc2c1CC[C@H]([NH2+]C1CCN(CC3CCCCC3)CC1)C2 ZINC001171411833 1049645125 /nfs/dbraw/zinc/64/51/25/1049645125.db2.gz OTKFVFSYICOKRE-FQEVSTJZSA-N 1 3 344.518 4.317 20 0 EIADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCCCC3)CC1)CC2 ZINC001170967772 1049651796 /nfs/dbraw/zinc/65/17/96/1049651796.db2.gz ASFFCDTUROLHJU-FQEVSTJZSA-N 1 3 344.518 4.317 20 0 EIADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC001170967772 1049651807 /nfs/dbraw/zinc/65/18/07/1049651807.db2.gz ASFFCDTUROLHJU-FQEVSTJZSA-N 1 3 344.518 4.317 20 0 EIADHO Fc1cccc2c1CC[C@H](N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001171434019 1049674372 /nfs/dbraw/zinc/67/43/72/1049674372.db2.gz PMPLLEMGYBUIAV-OALUTQOASA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171434019 1049674378 /nfs/dbraw/zinc/67/43/78/1049674378.db2.gz PMPLLEMGYBUIAV-OALUTQOASA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171434019 1049674381 /nfs/dbraw/zinc/67/43/81/1049674381.db2.gz PMPLLEMGYBUIAV-OALUTQOASA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cc2c(cc1F)C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001171467439 1049725308 /nfs/dbraw/zinc/72/53/08/1049725308.db2.gz VFXTUBGIJGSVBQ-LJQANCHMSA-N 1 3 348.481 4.066 20 0 EIADHO Cc1cc(C)cc(OC[C@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171614502 1049764881 /nfs/dbraw/zinc/76/48/81/1049764881.db2.gz ZJPUOSZBHMSBJL-KRWDZBQOSA-N 1 3 332.532 4.312 20 0 EIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1(C)C ZINC001171622891 1049768169 /nfs/dbraw/zinc/76/81/69/1049768169.db2.gz BMHBLKKRDRICSH-IEBWSBKVSA-N 1 3 330.516 4.148 20 0 EIADHO COc1ccccc1CC1(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171627521 1049769661 /nfs/dbraw/zinc/76/96/61/1049769661.db2.gz UNQVFHTWZAAOEQ-UHFFFAOYSA-N 1 3 344.543 4.259 20 0 EIADHO COc1ccccc1C[C@H](C)[N@H+](C)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642753 1049781037 /nfs/dbraw/zinc/78/10/37/1049781037.db2.gz MEYTYBSFHZVVGH-INIZCTEOSA-N 1 3 332.532 4.209 20 0 EIADHO COc1ccccc1C[C@H](C)[N@@H+](C)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642753 1049781046 /nfs/dbraw/zinc/78/10/46/1049781046.db2.gz MEYTYBSFHZVVGH-INIZCTEOSA-N 1 3 332.532 4.209 20 0 EIADHO COc1ccccc1C[C@H](C)N(C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642753 1049781052 /nfs/dbraw/zinc/78/10/52/1049781052.db2.gz MEYTYBSFHZVVGH-INIZCTEOSA-N 1 3 332.532 4.209 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC(c3ccc(O)cc3)CC2)CC1(C)C ZINC001171642540 1049781421 /nfs/dbraw/zinc/78/14/21/1049781421.db2.gz KTGRYKVGCJWMAX-UHFFFAOYSA-N 1 3 330.516 4.223 20 0 EIADHO C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976990 1049837510 /nfs/dbraw/zinc/83/75/10/1049837510.db2.gz PLFBORXZKNMHSO-SJLPKXTDSA-N 1 3 336.470 4.407 20 0 EIADHO C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1(F)F ZINC001171976990 1049837513 /nfs/dbraw/zinc/83/75/13/1049837513.db2.gz PLFBORXZKNMHSO-SJLPKXTDSA-N 1 3 336.470 4.407 20 0 EIADHO Cc1ccncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061096 1049842166 /nfs/dbraw/zinc/84/21/66/1049842166.db2.gz FNIOUNMDWPGFEB-DKUWSORSSA-N 1 3 335.495 4.065 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)s1 ZINC001172103747 1049857335 /nfs/dbraw/zinc/85/73/35/1049857335.db2.gz XDUHJBGCTDZDSX-ZDEQEGDKSA-N 1 3 343.334 4.177 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)s1 ZINC001172103747 1049857340 /nfs/dbraw/zinc/85/73/40/1049857340.db2.gz XDUHJBGCTDZDSX-ZDEQEGDKSA-N 1 3 343.334 4.177 20 0 EIADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[C@@H]1CCCN1C ZINC001172568174 1049937874 /nfs/dbraw/zinc/93/78/74/1049937874.db2.gz OXUPDLNJZHBXJM-JSGCOSHPSA-N 1 3 330.850 4.013 20 0 EIADHO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCCC3)CC1)C2 ZINC001172717921 1049965097 /nfs/dbraw/zinc/96/50/97/1049965097.db2.gz UKWKRDSFVGELST-HXUWFJFHSA-N 1 3 332.919 4.051 20 0 EIADHO Clc1ccc2c(c1)C[C@H](NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC001172717921 1049965103 /nfs/dbraw/zinc/96/51/03/1049965103.db2.gz UKWKRDSFVGELST-HXUWFJFHSA-N 1 3 332.919 4.051 20 0 EIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000248399827 1050053473 /nfs/dbraw/zinc/05/34/73/1050053473.db2.gz KIMIAYUJTQNZJD-MDKPJZGXSA-N 1 3 330.516 4.389 20 0 EIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC)cc1 ZINC000248399827 1050053477 /nfs/dbraw/zinc/05/34/77/1050053477.db2.gz KIMIAYUJTQNZJD-MDKPJZGXSA-N 1 3 330.516 4.389 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000248894208 1050083235 /nfs/dbraw/zinc/08/32/35/1050083235.db2.gz ZMTOUURPIPFELT-CMKODMSKSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@H]1CCC2(CCCCC2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248894208 1050083238 /nfs/dbraw/zinc/08/32/38/1050083238.db2.gz ZMTOUURPIPFELT-CMKODMSKSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](NC[C@H]1CCC2(CCCCC2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248894208 1050083242 /nfs/dbraw/zinc/08/32/42/1050083242.db2.gz ZMTOUURPIPFELT-CMKODMSKSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001172847860 1050186230 /nfs/dbraw/zinc/18/62/30/1050186230.db2.gz NOXJORYEXQIURK-AWEZNQCLSA-N 1 3 338.898 4.264 20 0 EIADHO C[C@@H](Cc1c(F)cccc1Cl)NC1CC[NH+](CC2CCC2)CC1 ZINC001172847860 1050186237 /nfs/dbraw/zinc/18/62/37/1050186237.db2.gz NOXJORYEXQIURK-AWEZNQCLSA-N 1 3 338.898 4.264 20 0 EIADHO C[C@H](Cc1ccc(F)cc1Cl)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001172860428 1050198868 /nfs/dbraw/zinc/19/88/68/1050198868.db2.gz CVUBMNMWQGUDRV-GFCCVEGCSA-N 1 3 326.887 4.390 20 0 EIADHO N[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@@H]1F ZINC001206187040 1050265852 /nfs/dbraw/zinc/26/58/52/1050265852.db2.gz SPPOBVFIHDKCNA-RBUKOAKNSA-N 1 3 348.849 4.394 20 0 EIADHO N[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC[C@@H]1F ZINC001206187040 1050265865 /nfs/dbraw/zinc/26/58/65/1050265865.db2.gz SPPOBVFIHDKCNA-RBUKOAKNSA-N 1 3 348.849 4.394 20 0 EIADHO COc1cc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc2ccccc21 ZINC001177823494 1050298126 /nfs/dbraw/zinc/29/81/26/1050298126.db2.gz VELWUQKCZMWDFK-HXUWFJFHSA-N 1 3 328.500 4.304 20 0 EIADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173119253 1050314125 /nfs/dbraw/zinc/31/41/25/1050314125.db2.gz KLKWHFHGTLRYFA-NRFANRHFSA-N 1 3 348.575 4.455 20 0 EIADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173119253 1050314140 /nfs/dbraw/zinc/31/41/40/1050314140.db2.gz KLKWHFHGTLRYFA-NRFANRHFSA-N 1 3 348.575 4.455 20 0 EIADHO COc1ccc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC001177920116 1050329049 /nfs/dbraw/zinc/32/90/49/1050329049.db2.gz QOWRSFDKPXFVTA-PXNSSMCTSA-N 1 3 344.524 4.238 20 0 EIADHO COc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC001177920116 1050329062 /nfs/dbraw/zinc/32/90/62/1050329062.db2.gz QOWRSFDKPXFVTA-PXNSSMCTSA-N 1 3 344.524 4.238 20 0 EIADHO Cc1ccccc1N(C)c1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206200341 1050455510 /nfs/dbraw/zinc/45/55/10/1050455510.db2.gz RDIFAKHMJAFRJT-WOJBJXKFSA-N 1 3 341.474 4.024 20 0 EIADHO CN(C1CC1)C1CC[NH+](C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173691075 1050543971 /nfs/dbraw/zinc/54/39/71/1050543971.db2.gz FVXXEUKMRIOPSI-UHFFFAOYSA-N 1 3 338.539 4.372 20 0 EIADHO C[N@H+](C1CC1)C1CCN(C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173691075 1050543984 /nfs/dbraw/zinc/54/39/84/1050543984.db2.gz FVXXEUKMRIOPSI-UHFFFAOYSA-N 1 3 338.539 4.372 20 0 EIADHO C[N@@H+](C1CC1)C1CCN(C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173691075 1050543999 /nfs/dbraw/zinc/54/39/99/1050543999.db2.gz FVXXEUKMRIOPSI-UHFFFAOYSA-N 1 3 338.539 4.372 20 0 EIADHO Cc1oc(C(C)(C)C)cc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001179015456 1050610828 /nfs/dbraw/zinc/61/08/28/1050610828.db2.gz APRKCLBNCNZOKC-UXHICEINSA-N 1 3 340.511 4.321 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000093688599 1050660743 /nfs/dbraw/zinc/66/07/43/1050660743.db2.gz MDNFLHRBQZEDDZ-UHFFFAOYSA-N 1 3 349.569 4.425 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093688544 1050661709 /nfs/dbraw/zinc/66/17/09/1050661709.db2.gz SFSPHEXJCSKYCX-UHFFFAOYSA-N 1 3 349.569 4.425 20 0 EIADHO Clc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001179771853 1050767328 /nfs/dbraw/zinc/76/73/28/1050767328.db2.gz ONNNXMDUSDDZNF-FGTMMUONSA-N 1 3 344.886 4.323 20 0 EIADHO Clc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001179771853 1050767344 /nfs/dbraw/zinc/76/73/44/1050767344.db2.gz ONNNXMDUSDDZNF-FGTMMUONSA-N 1 3 344.886 4.323 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC001180125164 1050892157 /nfs/dbraw/zinc/89/21/57/1050892157.db2.gz TZQGOOFBLIFZMB-UHFFFAOYSA-N 1 3 327.516 4.420 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC001180125164 1050892160 /nfs/dbraw/zinc/89/21/60/1050892160.db2.gz TZQGOOFBLIFZMB-UHFFFAOYSA-N 1 3 327.516 4.420 20 0 EIADHO CN(CC(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)C1CCCC1 ZINC001180630966 1051054510 /nfs/dbraw/zinc/05/45/10/1051054510.db2.gz UBLXTRMHGGMSRK-UHFFFAOYSA-N 1 3 342.508 4.446 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)SC)cc1CN1CCCCC1 ZINC000183378231 1051102547 /nfs/dbraw/zinc/10/25/47/1051102547.db2.gz WTMDLUBOAOHFFD-HZPDHXFCSA-N 1 3 336.545 4.083 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)c(OC)c2)c1 ZINC000153596986 1051202258 /nfs/dbraw/zinc/20/22/58/1051202258.db2.gz YNECNRLQPPUNHT-OAHLLOKOSA-N 1 3 330.447 4.137 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)c(OC)c2)c1 ZINC000153596986 1051202272 /nfs/dbraw/zinc/20/22/72/1051202272.db2.gz YNECNRLQPPUNHT-OAHLLOKOSA-N 1 3 330.447 4.137 20 0 EIADHO CS[C@@H]1CC[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063338 1051389604 /nfs/dbraw/zinc/38/96/04/1051389604.db2.gz TXTZABLRTDWYBG-CTNGQTDRSA-N 1 3 346.584 4.362 20 0 EIADHO CS[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001182063338 1051389612 /nfs/dbraw/zinc/38/96/12/1051389612.db2.gz TXTZABLRTDWYBG-CTNGQTDRSA-N 1 3 346.584 4.362 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000774376580 1051569761 /nfs/dbraw/zinc/56/97/61/1051569761.db2.gz LBPALXFPRQREFY-LBPRGKRZSA-N 1 3 344.330 4.347 20 0 EIADHO CC(C)C[N@H+](C)CCCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001182714016 1051681599 /nfs/dbraw/zinc/68/15/99/1051681599.db2.gz KAQYUEWASHVXBD-HNNXBMFYSA-N 1 3 330.438 4.204 20 0 EIADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001182714016 1051681605 /nfs/dbraw/zinc/68/16/05/1051681605.db2.gz KAQYUEWASHVXBD-HNNXBMFYSA-N 1 3 330.438 4.204 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158122124 1051715353 /nfs/dbraw/zinc/71/53/53/1051715353.db2.gz ILBNBCXINLRJFN-DZGCQCFKSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158122124 1051715363 /nfs/dbraw/zinc/71/53/63/1051715363.db2.gz ILBNBCXINLRJFN-DZGCQCFKSA-N 1 3 347.503 4.250 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158142213 1051720661 /nfs/dbraw/zinc/72/06/61/1051720661.db2.gz BJFQOAQJUJBIEY-ROUUACIJSA-N 1 3 338.495 4.355 20 0 EIADHO COc1ccccc1-c1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158142213 1051720676 /nfs/dbraw/zinc/72/06/76/1051720676.db2.gz BJFQOAQJUJBIEY-ROUUACIJSA-N 1 3 338.495 4.355 20 0 EIADHO CC(C)CCN1CCC([NH2+]CCc2c[nH]c3c2cccc3Cl)CC1 ZINC001183170062 1051800560 /nfs/dbraw/zinc/80/05/60/1051800560.db2.gz HNJSDBGOVNWNFQ-UHFFFAOYSA-N 1 3 347.934 4.464 20 0 EIADHO C[NH+](C)CC[C@H](N[C@H]1CC[C@@](C)(c2ccccc2)C1)c1cccnc1 ZINC001183919253 1051928260 /nfs/dbraw/zinc/92/82/60/1051928260.db2.gz HXVPKHKAUOOSPB-FDFHNCONSA-N 1 3 337.511 4.174 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](NC/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000414913737 1051981930 /nfs/dbraw/zinc/98/19/30/1051981930.db2.gz JPUQDRZYYVKOQO-IZRQAOQISA-N 1 3 336.479 4.138 20 0 EIADHO CCCCN1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000164484033 1052030852 /nfs/dbraw/zinc/03/08/52/1052030852.db2.gz JPKZWJHVLANGEH-LJQANCHMSA-N 1 3 328.500 4.287 20 0 EIADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(C)n1 ZINC001194270459 1052123439 /nfs/dbraw/zinc/12/34/39/1052123439.db2.gz XAJMMXKIDCGJKQ-QHCPKHFHSA-N 1 3 349.522 4.105 20 0 EIADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(C)n1 ZINC001194270459 1052123446 /nfs/dbraw/zinc/12/34/46/1052123446.db2.gz XAJMMXKIDCGJKQ-QHCPKHFHSA-N 1 3 349.522 4.105 20 0 EIADHO COc1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC001177127715 1052227495 /nfs/dbraw/zinc/22/74/95/1052227495.db2.gz KKGOYECHEPRBQQ-UHFFFAOYSA-N 1 3 338.495 4.279 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000171128143 1052396558 /nfs/dbraw/zinc/39/65/58/1052396558.db2.gz UOQRJMCCWNCNNC-CQSZACIVSA-N 1 3 334.410 4.200 20 0 EIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(OC(F)F)c1 ZINC000171129191 1052396725 /nfs/dbraw/zinc/39/67/25/1052396725.db2.gz OKXVVZURGCCIEP-AWEZNQCLSA-N 1 3 334.410 4.200 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cnc(-c3ccccc3)[nH]2)c1 ZINC000175982154 1052603134 /nfs/dbraw/zinc/60/31/34/1052603134.db2.gz XKKAIGYNUJSVEB-UHFFFAOYSA-N 1 3 348.494 4.207 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cnc(-c3ccccc3)[nH]2)c1 ZINC000175982154 1052603142 /nfs/dbraw/zinc/60/31/42/1052603142.db2.gz XKKAIGYNUJSVEB-UHFFFAOYSA-N 1 3 348.494 4.207 20 0 EIADHO c1nc2c(s1)CCC[C@@H]2NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000623873763 1052827381 /nfs/dbraw/zinc/82/73/81/1052827381.db2.gz QRLULYUQPNEKJR-SFHVURJKSA-N 1 3 341.524 4.022 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@@H+]1C ZINC000623898297 1052832239 /nfs/dbraw/zinc/83/22/39/1052832239.db2.gz FAOWKUYTOFTHMU-DFHBCGBQSA-N 1 3 331.891 4.271 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@H+]1C ZINC000623898297 1052832244 /nfs/dbraw/zinc/83/22/44/1052832244.db2.gz FAOWKUYTOFTHMU-DFHBCGBQSA-N 1 3 331.891 4.271 20 0 EIADHO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(C)ccc1C ZINC000623921249 1052838222 /nfs/dbraw/zinc/83/82/22/1052838222.db2.gz PDKMPSGIHCIGDA-FKBYEOEOSA-N 1 3 344.543 4.112 20 0 EIADHO CC1CC[NH+](C2CCC(N[C@@H]3CCCc4scnc43)CC2)CC1 ZINC000623923902 1052838795 /nfs/dbraw/zinc/83/87/95/1052838795.db2.gz NWSAHIUWGKARPC-OFLPRAFFSA-N 1 3 333.545 4.153 20 0 EIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623989947 1052851239 /nfs/dbraw/zinc/85/12/39/1052851239.db2.gz NGUQOCCOLRWRJV-SFHVURJKSA-N 1 3 340.515 4.004 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000624124052 1052868614 /nfs/dbraw/zinc/86/86/14/1052868614.db2.gz VZJICWSWENQDBP-LJISPDSOSA-N 1 3 326.937 4.215 20 0 EIADHO CCC[NH+]1CCC(NCCc2nc(C3CCCCC3)cs2)CC1 ZINC000183292056 1052969560 /nfs/dbraw/zinc/96/95/60/1052969560.db2.gz BMKHPOWDNXATLO-UHFFFAOYSA-N 1 3 335.561 4.197 20 0 EIADHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000381796051 1053097046 /nfs/dbraw/zinc/09/70/46/1053097046.db2.gz BNLINQCEQLABKV-MTQWCTHYSA-N 1 3 348.481 4.312 20 0 EIADHO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000382169301 1053151519 /nfs/dbraw/zinc/15/15/19/1053151519.db2.gz PKKQCTFSXKLHFD-GCJKJVERSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F ZINC000765140795 1053453681 /nfs/dbraw/zinc/45/36/81/1053453681.db2.gz FMLUGRGDIWVZAG-CYBMUJFWSA-N 1 3 326.406 4.230 20 0 EIADHO c1cc2ccc(CNC[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000386050271 1053574950 /nfs/dbraw/zinc/57/49/50/1053574950.db2.gz BUGQAOJMHWNZCK-HXUWFJFHSA-N 1 3 333.479 4.170 20 0 EIADHO c1cc2ccc(CNC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000386050271 1053574960 /nfs/dbraw/zinc/57/49/60/1053574960.db2.gz BUGQAOJMHWNZCK-HXUWFJFHSA-N 1 3 333.479 4.170 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](c2ccccn2)C(C)C)cc1 ZINC000866219474 1053654733 /nfs/dbraw/zinc/65/47/33/1053654733.db2.gz PGQHNFRVJCXAEZ-OAQYLSRUSA-N 1 3 325.500 4.410 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441160 1053730143 /nfs/dbraw/zinc/73/01/43/1053730143.db2.gz PULPQTXNCZANRX-KNQAVFIVSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441160 1053730158 /nfs/dbraw/zinc/73/01/58/1053730158.db2.gz PULPQTXNCZANRX-KNQAVFIVSA-N 1 3 338.495 4.258 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856558422 1054085330 /nfs/dbraw/zinc/08/53/30/1054085330.db2.gz IGNGOVBHKKLAIH-PXNSSMCTSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](C)C(C)(C)C)C2)ccn1 ZINC000856558422 1054085343 /nfs/dbraw/zinc/08/53/43/1054085343.db2.gz IGNGOVBHKKLAIH-PXNSSMCTSA-N 1 3 347.547 4.057 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(SC(F)F)cc1 ZINC000858490896 1054498612 /nfs/dbraw/zinc/49/86/12/1054498612.db2.gz RUNKDZPYWUVZSI-KGLIPLIRSA-N 1 3 328.472 4.384 20 0 EIADHO CSc1cccc([C@H](NC[C@H]2C[C@@H]([NH3+])C2)c2cc(F)ccc2F)c1 ZINC000873250186 1054515684 /nfs/dbraw/zinc/51/56/84/1054515684.db2.gz FJTVXWJUDIXGCC-HGQUKEQDSA-N 1 3 348.462 4.103 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]21 ZINC001202328550 1055142197 /nfs/dbraw/zinc/14/21/97/1055142197.db2.gz HNJRBGOQNWHGLN-NUEKZKHPSA-N 1 3 346.462 4.233 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC001202328550 1055142199 /nfs/dbraw/zinc/14/21/99/1055142199.db2.gz HNJRBGOQNWHGLN-NUEKZKHPSA-N 1 3 346.462 4.233 20 0 EIADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000386483112 1060270690 /nfs/dbraw/zinc/27/06/90/1060270690.db2.gz WLRQDPIDGSNHHW-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000386483112 1060270716 /nfs/dbraw/zinc/27/07/16/1060270716.db2.gz WLRQDPIDGSNHHW-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO COc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)ccc1Cl ZINC001168839922 1060449250 /nfs/dbraw/zinc/44/92/50/1060449250.db2.gz ZDINCGDGGGNHDJ-UHFFFAOYSA-N 1 3 332.875 4.042 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(Br)s1 ZINC000038001941 213186092 /nfs/dbraw/zinc/18/60/92/213186092.db2.gz UWYGIRYRHLRJKZ-GFCCVEGCSA-N 1 3 331.323 4.037 20 0 EIADHO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccncc3)CC1)CCS2 ZINC000298267461 526373705 /nfs/dbraw/zinc/37/37/05/526373705.db2.gz GELYDTRYELVIRF-GOSISDBHSA-N 1 3 343.471 4.016 20 0 EIADHO CC[C@@H](C)Oc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OC ZINC000666755294 1032510265 /nfs/dbraw/zinc/51/02/65/1032510265.db2.gz KMCOEADNZASEOO-CVEARBPZSA-N 1 3 342.483 4.182 20 0 EIADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1F ZINC000643546706 1018895878 /nfs/dbraw/zinc/89/58/78/1018895878.db2.gz TUEZKMLWPLHCBB-JENIJYKNSA-N 1 3 346.490 4.125 20 0 EIADHO Cc1ccncc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691506 1021099777 /nfs/dbraw/zinc/09/97/77/1021099777.db2.gz YNVFDSFOHIZERQ-AYWYSENESA-N 1 3 335.495 4.236 20 0 EIADHO Clc1cc(CNC2CCN(c3cc[nH+]cc3)CC2)c(Cl)s1 ZINC000312766752 1021832377 /nfs/dbraw/zinc/83/23/77/1021832377.db2.gz GRQFFZMGDINNJJ-UHFFFAOYSA-N 1 3 342.295 4.209 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3ccc(OC)cc32)cc1 ZINC000173228526 1021872894 /nfs/dbraw/zinc/87/28/94/1021872894.db2.gz JQMGIHIHUPKGPJ-QFIPXVFZSA-N 1 3 338.495 4.314 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCc2nc(C)sc21 ZINC000163786045 1022024151 /nfs/dbraw/zinc/02/41/51/1022024151.db2.gz HTFDMNFYMLUHEZ-SFHVURJKSA-N 1 3 343.540 4.461 20 0 EIADHO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000310846188 1022647036 /nfs/dbraw/zinc/64/70/36/1022647036.db2.gz IKTMIQOSVWWJRU-FPOVZHCZSA-N 1 3 340.511 4.493 20 0 EIADHO Fc1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)CCO2)cc1 ZINC000363863318 1022867572 /nfs/dbraw/zinc/86/75/72/1022867572.db2.gz KMJMBPYEJWDPPE-FPOVZHCZSA-N 1 3 346.490 4.042 20 0 EIADHO Fc1ccc([C@H]2C[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)CCO2)cc1 ZINC000363863320 1022867619 /nfs/dbraw/zinc/86/76/19/1022867619.db2.gz KMJMBPYEJWDPPE-PZJWPPBQSA-N 1 3 346.490 4.042 20 0 EIADHO CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924600429 1023332119 /nfs/dbraw/zinc/33/21/19/1023332119.db2.gz STNHVQYKPADABV-HZPDHXFCSA-N 1 3 339.483 4.118 20 0 EIADHO Clc1cccc2c1CC[C@@H]2N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083348 1023431338 /nfs/dbraw/zinc/43/13/38/1023431338.db2.gz NCWXBOMBWCRSTK-UIAACRFSSA-N 1 3 326.871 4.410 20 0 EIADHO Cc1ccc(C)c([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000656682344 1023434148 /nfs/dbraw/zinc/43/41/48/1023434148.db2.gz BIZSZECUNRCVBH-LJQANCHMSA-N 1 3 337.511 4.261 20 0 EIADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccccc1 ZINC000500126505 1023520598 /nfs/dbraw/zinc/52/05/98/1023520598.db2.gz ARRAKNZKPFDWMK-OAQYLSRUSA-N 1 3 345.575 4.266 20 0 EIADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H](C)c1ccccc1 ZINC000500126505 1023520605 /nfs/dbraw/zinc/52/06/05/1023520605.db2.gz ARRAKNZKPFDWMK-OAQYLSRUSA-N 1 3 345.575 4.266 20 0 EIADHO c1ccc2sc([C@@H]3CCC[N@@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000548394684 1024187717 /nfs/dbraw/zinc/18/77/17/1024187717.db2.gz DBQZRZCUYRYZQH-QGZVFWFLSA-N 1 3 343.540 4.352 20 0 EIADHO c1ccc2sc([C@@H]3CCC[N@H+](CCCN4CCCCC4)C3)nc2c1 ZINC000548394684 1024187727 /nfs/dbraw/zinc/18/77/27/1024187727.db2.gz DBQZRZCUYRYZQH-QGZVFWFLSA-N 1 3 343.540 4.352 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000092381210 1024800497 /nfs/dbraw/zinc/80/04/97/1024800497.db2.gz FRPSSBFAOHGTRV-UHFFFAOYSA-N 1 3 335.542 4.035 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463801 1025391143 /nfs/dbraw/zinc/39/11/43/1025391143.db2.gz BRZVAFHGHKPBGD-GDBMZVCRSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463801 1025391159 /nfs/dbraw/zinc/39/11/59/1025391159.db2.gz BRZVAFHGHKPBGD-GDBMZVCRSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463801 1025391176 /nfs/dbraw/zinc/39/11/76/1025391176.db2.gz BRZVAFHGHKPBGD-GDBMZVCRSA-N 1 3 329.513 4.069 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663466309 1025392382 /nfs/dbraw/zinc/39/23/82/1025392382.db2.gz QWSPOIUYEAHDQO-PWRODBHTSA-N 1 3 341.543 4.128 20 0 EIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925784396 1025658328 /nfs/dbraw/zinc/65/83/28/1025658328.db2.gz RBRQMJJUQXUZRZ-UKRRQHHQSA-N 1 3 328.472 4.083 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000156899126 1025720301 /nfs/dbraw/zinc/72/03/01/1025720301.db2.gz LLVBLDOIXNHRTQ-KRWDZBQOSA-N 1 3 348.531 4.015 20 0 EIADHO Clc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167966296 1025735326 /nfs/dbraw/zinc/73/53/26/1025735326.db2.gz SUWCTVCSXYZKDU-IHWFROFDSA-N 1 3 344.930 4.367 20 0 EIADHO Clc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167966296 1025735355 /nfs/dbraw/zinc/73/53/55/1025735355.db2.gz SUWCTVCSXYZKDU-IHWFROFDSA-N 1 3 344.930 4.367 20 0 EIADHO COCc1csc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000657297843 1025768454 /nfs/dbraw/zinc/76/84/54/1025768454.db2.gz OXCAQSYNJWIXPP-UHFFFAOYSA-N 1 3 344.524 4.170 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001167837435 1025848039 /nfs/dbraw/zinc/84/80/39/1025848039.db2.gz KBKWXNQPJWVJCD-PZJWPPBQSA-N 1 3 332.532 4.053 20 0 EIADHO Cc1ncsc1-c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000657319092 1026040964 /nfs/dbraw/zinc/04/09/64/1026040964.db2.gz RQKZGFBSTJQISS-UHFFFAOYSA-N 1 3 341.524 4.083 20 0 EIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000344295248 1026221347 /nfs/dbraw/zinc/22/13/47/1026221347.db2.gz JKKHEQLYUAXKCV-ACRUOGEOSA-N 1 3 344.543 4.131 20 0 EIADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148326 1026750575 /nfs/dbraw/zinc/75/05/75/1026750575.db2.gz XOKFCLNKPINFAN-WMZOPIPTSA-N 1 3 340.433 4.369 20 0 EIADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148326 1026750588 /nfs/dbraw/zinc/75/05/88/1026750588.db2.gz XOKFCLNKPINFAN-WMZOPIPTSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148326 1026750598 /nfs/dbraw/zinc/75/05/98/1026750598.db2.gz XOKFCLNKPINFAN-WMZOPIPTSA-N 1 3 340.433 4.369 20 0 EIADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511148326 1026750604 /nfs/dbraw/zinc/75/06/04/1026750604.db2.gz XOKFCLNKPINFAN-WMZOPIPTSA-N 1 3 340.433 4.369 20 0 EIADHO CCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000582560159 1026805455 /nfs/dbraw/zinc/80/54/55/1026805455.db2.gz CWFFKGAYMQIECV-UNMCSNQZSA-N 1 3 338.495 4.401 20 0 EIADHO CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000582560159 1026805464 /nfs/dbraw/zinc/80/54/64/1026805464.db2.gz CWFFKGAYMQIECV-UNMCSNQZSA-N 1 3 338.495 4.401 20 0 EIADHO CCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000582560158 1026806189 /nfs/dbraw/zinc/80/61/89/1026806189.db2.gz CWFFKGAYMQIECV-RBBKRZOGSA-N 1 3 338.495 4.401 20 0 EIADHO CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000582560158 1026806191 /nfs/dbraw/zinc/80/61/91/1026806191.db2.gz CWFFKGAYMQIECV-RBBKRZOGSA-N 1 3 338.495 4.401 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166278065 1027248158 /nfs/dbraw/zinc/24/81/58/1027248158.db2.gz PSHBKXVINBBEIP-WOJBJXKFSA-N 1 3 340.536 4.289 20 0 EIADHO c1ccc2c(c1)cccc2CSCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166278065 1027248187 /nfs/dbraw/zinc/24/81/87/1027248187.db2.gz PSHBKXVINBBEIP-WOJBJXKFSA-N 1 3 340.536 4.289 20 0 EIADHO Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000657612964 1027290079 /nfs/dbraw/zinc/29/00/79/1027290079.db2.gz HAINVPQTQNMVDD-UHFFFAOYSA-N 1 3 343.902 4.045 20 0 EIADHO CCc1nc(C)c(CN2CCC(CC[N@@H+](CC)CC(C)C)CC2)o1 ZINC000428299031 1027335556 /nfs/dbraw/zinc/33/55/56/1027335556.db2.gz JRPYAEGJURYJGM-UHFFFAOYSA-N 1 3 335.536 4.125 20 0 EIADHO CCc1nc(C)c(CN2CCC(CC[N@H+](CC)CC(C)C)CC2)o1 ZINC000428299031 1027335579 /nfs/dbraw/zinc/33/55/79/1027335579.db2.gz JRPYAEGJURYJGM-UHFFFAOYSA-N 1 3 335.536 4.125 20 0 EIADHO C[C@@H](c1ccccn1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342874066 1027394469 /nfs/dbraw/zinc/39/44/69/1027394469.db2.gz KOAZBINNCWOIMV-IBGZPJMESA-N 1 3 335.495 4.131 20 0 EIADHO C[C@@H](c1ccccn1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342874066 1027394490 /nfs/dbraw/zinc/39/44/90/1027394490.db2.gz KOAZBINNCWOIMV-IBGZPJMESA-N 1 3 335.495 4.131 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000474713005 1027430745 /nfs/dbraw/zinc/43/07/45/1027430745.db2.gz KXFVSXHUMYSUHK-PMPSAXMXSA-N 1 3 343.540 4.395 20 0 EIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000474713005 1027430752 /nfs/dbraw/zinc/43/07/52/1027430752.db2.gz KXFVSXHUMYSUHK-PMPSAXMXSA-N 1 3 343.540 4.395 20 0 EIADHO Fc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995489 1027772486 /nfs/dbraw/zinc/77/24/86/1027772486.db2.gz HJBCJZQYCCMBHM-CBQGHPETSA-N 1 3 342.502 4.411 20 0 EIADHO Fc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995489 1027772508 /nfs/dbraw/zinc/77/25/08/1027772508.db2.gz HJBCJZQYCCMBHM-CBQGHPETSA-N 1 3 342.502 4.411 20 0 EIADHO COc1ccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167995749 1027808289 /nfs/dbraw/zinc/80/82/89/1027808289.db2.gz PORMFVUPRTVAIQ-XQXKNUKBSA-N 1 3 340.511 4.238 20 0 EIADHO COc1ccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167995749 1027808293 /nfs/dbraw/zinc/80/82/93/1027808293.db2.gz PORMFVUPRTVAIQ-XQXKNUKBSA-N 1 3 340.511 4.238 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)cc1 ZINC000280995063 1028314599 /nfs/dbraw/zinc/31/45/99/1028314599.db2.gz XETVQZPTLZQUOZ-NFBKMPQASA-N 1 3 349.522 4.077 20 0 EIADHO Fc1ccc([C@H]2CC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000475351569 1029566110 /nfs/dbraw/zinc/56/61/10/1029566110.db2.gz TYDCUZPMAZPMMV-FXAWDEMLSA-N 1 3 330.491 4.458 20 0 EIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000151624962 1029632230 /nfs/dbraw/zinc/63/22/30/1029632230.db2.gz YNKNFPYXGUDLJJ-HXUWFJFHSA-N 1 3 336.479 4.284 20 0 EIADHO C[C@@H]1CC(N2CCC(C(F)F)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065800 1029711787 /nfs/dbraw/zinc/71/17/87/1029711787.db2.gz YGDUHVALNFCFQE-HZPDHXFCSA-N 1 3 336.470 4.405 20 0 EIADHO C[C@@H](c1ccccc1Br)N1CCC(CC[NH+](C)C)CC1 ZINC000138374882 1030040186 /nfs/dbraw/zinc/04/01/86/1030040186.db2.gz HMPTYAZUMMFDQL-AWEZNQCLSA-N 1 3 339.321 4.174 20 0 EIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000171126483 1030063217 /nfs/dbraw/zinc/06/32/17/1030063217.db2.gz SFDNCCNUXFRNOY-AWEZNQCLSA-N 1 3 347.300 4.362 20 0 EIADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708566640 1030385535 /nfs/dbraw/zinc/38/55/35/1030385535.db2.gz RHWMYNHBYYZAGA-UEXGIBASSA-N 1 3 340.486 4.114 20 0 EIADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000527232755 1030588132 /nfs/dbraw/zinc/58/81/32/1030588132.db2.gz NULCXCHTZSDAFQ-ROUUACIJSA-N 1 3 344.543 4.431 20 0 EIADHO CCCN1CCC([N@H+](C)CCOc2cccc3ccccc32)CC1 ZINC000530905273 1030783107 /nfs/dbraw/zinc/78/31/07/1030783107.db2.gz DNWJCSUWGIJQBU-UHFFFAOYSA-N 1 3 326.484 4.025 20 0 EIADHO CCCN1CCC([N@@H+](C)CCOc2cccc3ccccc32)CC1 ZINC000530905273 1030783125 /nfs/dbraw/zinc/78/31/25/1030783125.db2.gz DNWJCSUWGIJQBU-UHFFFAOYSA-N 1 3 326.484 4.025 20 0 EIADHO C[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccccn1 ZINC000658067631 1030813736 /nfs/dbraw/zinc/81/37/36/1030813736.db2.gz XCNRKCOFTRETBV-QGZVFWFLSA-N 1 3 331.548 4.454 20 0 EIADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000658164481 1030861210 /nfs/dbraw/zinc/86/12/10/1030861210.db2.gz DRAQXNMPOQRMNO-IBGZPJMESA-N 1 3 337.511 4.261 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCCC34CCCC4)CC2)ccn1 ZINC000658166937 1030863088 /nfs/dbraw/zinc/86/30/88/1030863088.db2.gz WNTJBSKAFKIORV-NRFANRHFSA-N 1 3 341.543 4.386 20 0 EIADHO C[C@H](CCC1CCCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167383 1030863847 /nfs/dbraw/zinc/86/38/47/1030863847.db2.gz RUGUVGFALIQGJH-GOSISDBHSA-N 1 3 329.532 4.242 20 0 EIADHO C[C@@H](CCC1CCCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167387 1030864216 /nfs/dbraw/zinc/86/42/16/1030864216.db2.gz RUGUVGFALIQGJH-SFHVURJKSA-N 1 3 329.532 4.242 20 0 EIADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658168739 1030865460 /nfs/dbraw/zinc/86/54/60/1030865460.db2.gz YFOPRLCRJFSGNX-HSZRJFAPSA-N 1 3 349.522 4.269 20 0 EIADHO CC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319279 1030980077 /nfs/dbraw/zinc/98/00/77/1030980077.db2.gz YWDQQYRVJZEESP-VXKWHMMOSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319279 1030980094 /nfs/dbraw/zinc/98/00/94/1030980094.db2.gz YWDQQYRVJZEESP-VXKWHMMOSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319279 1030980104 /nfs/dbraw/zinc/98/01/04/1030980104.db2.gz YWDQQYRVJZEESP-VXKWHMMOSA-N 1 3 349.522 4.425 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1cncs1 ZINC000658319533 1030982119 /nfs/dbraw/zinc/98/21/19/1030982119.db2.gz FYEQZJAXPOQXRL-WMZOPIPTSA-N 1 3 341.524 4.096 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(C)ccc2C)[C@H](C)C1 ZINC000532501181 1031219961 /nfs/dbraw/zinc/21/99/61/1031219961.db2.gz AIMZGOMPKVMFOQ-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(C)ccc2C)[C@H](C)C1 ZINC000532501181 1031219975 /nfs/dbraw/zinc/21/99/75/1031219975.db2.gz AIMZGOMPKVMFOQ-SBHAEUEKSA-N 1 3 332.532 4.091 20 0 EIADHO C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000532623371 1031427262 /nfs/dbraw/zinc/42/72/62/1031427262.db2.gz WUYICVITDPWGKT-IBGZPJMESA-N 1 3 334.463 4.387 20 0 EIADHO C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000532623371 1031427272 /nfs/dbraw/zinc/42/72/72/1031427272.db2.gz WUYICVITDPWGKT-IBGZPJMESA-N 1 3 334.463 4.387 20 0 EIADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449211845 1031538325 /nfs/dbraw/zinc/53/83/25/1031538325.db2.gz SDJPSPAUVODCQJ-JSOIOWGOSA-N 1 3 336.564 4.214 20 0 EIADHO CC[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccsc1 ZINC000453098956 1031557172 /nfs/dbraw/zinc/55/71/72/1031557172.db2.gz VSSKPJJTBPCVAG-IBGZPJMESA-N 1 3 332.513 4.320 20 0 EIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCc2nccs2)CC1 ZINC000449226593 1031558505 /nfs/dbraw/zinc/55/85/05/1031558505.db2.gz RMQPKXZHTZWLSW-UHFFFAOYSA-N 1 3 337.577 4.345 20 0 EIADHO C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000449231327 1031560968 /nfs/dbraw/zinc/56/09/68/1031560968.db2.gz DGUQYEXVNBSWJX-MVLYANGWSA-N 1 3 348.575 4.499 20 0 EIADHO C[C@@H]1CC[C@@H](NCc2ccccc2OCC[NH+](C)C)c2sccc21 ZINC000453094777 1031590876 /nfs/dbraw/zinc/59/08/76/1031590876.db2.gz SZDKZRZDUTVPIA-CRAIPNDOSA-N 1 3 344.524 4.417 20 0 EIADHO CCCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000453370689 1031914837 /nfs/dbraw/zinc/91/48/37/1031914837.db2.gz VTVKOZWXAGBSGS-UXDRXVOSSA-N 1 3 346.515 4.150 20 0 EIADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453373229 1031920109 /nfs/dbraw/zinc/92/01/09/1031920109.db2.gz WZFLZFSHYSQAGU-KVMCETHSSA-N 1 3 328.500 4.239 20 0 EIADHO C[C@H](CC[NH2+][C@H](C)c1ccc(Cl)nc1)N(C)Cc1ccccc1 ZINC000179135375 1032019181 /nfs/dbraw/zinc/01/91/81/1032019181.db2.gz ZMHJBOORUBZAJO-HZPDHXFCSA-N 1 3 331.891 4.296 20 0 EIADHO C[N@@H+]1CCC[C@]2(CCN(CCCOc3ccc4ccccc4c3)C2)C1 ZINC000549840768 1033294878 /nfs/dbraw/zinc/29/48/78/1033294878.db2.gz OBDIBUULPMCUHS-QFIPXVFZSA-N 1 3 338.495 4.026 20 0 EIADHO C[N@H+]1CCC[C@]2(CCN(CCCOc3ccc4ccccc4c3)C2)C1 ZINC000549840768 1033294890 /nfs/dbraw/zinc/29/48/90/1033294890.db2.gz OBDIBUULPMCUHS-QFIPXVFZSA-N 1 3 338.495 4.026 20 0 EIADHO Cc1ccc2c(CC[NH2+]C3CCN(C4CCCCC4)CC3)c[nH]c2c1 ZINC000513046614 1034364126 /nfs/dbraw/zinc/36/41/26/1034364126.db2.gz MOVDSJAPPYJUAL-UHFFFAOYSA-N 1 3 339.527 4.406 20 0 EIADHO CC[N@@H+]1CC[C@@H](NCc2ccc(-c3ccc(OC)cc3)s2)[C@@H](C)C1 ZINC000469080850 1034808477 /nfs/dbraw/zinc/80/84/77/1034808477.db2.gz XWTLAPFCYMXLAL-HNAYVOBHSA-N 1 3 344.524 4.244 20 0 EIADHO CC[N@H+]1CC[C@@H](NCc2ccc(-c3ccc(OC)cc3)s2)[C@@H](C)C1 ZINC000469080850 1034808486 /nfs/dbraw/zinc/80/84/86/1034808486.db2.gz XWTLAPFCYMXLAL-HNAYVOBHSA-N 1 3 344.524 4.244 20 0 EIADHO CCc1cc(OC)ccc1CNCc1ccc(C[NH+](CC)CC)cc1 ZINC000501484826 1035454401 /nfs/dbraw/zinc/45/44/01/1035454401.db2.gz XSTUSOHYKKTTDM-UHFFFAOYSA-N 1 3 340.511 4.389 20 0 EIADHO Cc1nc([C@H](C)N2CCC[C@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420319115 1035515429 /nfs/dbraw/zinc/51/54/29/1035515429.db2.gz XDBOUXCEDPHRDM-LSDHHAIUSA-N 1 3 347.890 4.425 20 0 EIADHO C[NH+]1CCC(CN[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000491002459 1035753948 /nfs/dbraw/zinc/75/39/48/1035753948.db2.gz BSFZDWRFXWXIPE-FQEVSTJZSA-N 1 3 346.877 4.500 20 0 EIADHO Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421819309 1036774948 /nfs/dbraw/zinc/77/49/48/1036774948.db2.gz GMYOVZLTWVPCAD-INIZCTEOSA-N 1 3 343.902 4.359 20 0 EIADHO CCOc1ccc(CNCc2ccc(C[NH+](CC)CC)cc2)cc1F ZINC000486929536 1036894321 /nfs/dbraw/zinc/89/43/21/1036894321.db2.gz AXFOAASPYYXQGY-UHFFFAOYSA-N 1 3 344.474 4.356 20 0 EIADHO CCOc1ccc(CNCc2cccc(C[NH+](CC)CC)c2)cc1F ZINC000486933353 1036896516 /nfs/dbraw/zinc/89/65/16/1036896516.db2.gz WZJUBZIIFVVUAS-UHFFFAOYSA-N 1 3 344.474 4.356 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000486944396 1036898601 /nfs/dbraw/zinc/89/86/01/1036898601.db2.gz PMNQBJUKCOWGFW-MONCILHSSA-N 1 3 335.495 4.259 20 0 EIADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000486944396 1036898602 /nfs/dbraw/zinc/89/86/02/1036898602.db2.gz PMNQBJUKCOWGFW-MONCILHSSA-N 1 3 335.495 4.259 20 0 EIADHO Fc1ccc(C2CC[NH+](C3CCN(CC4CC4)CC3)CC2)c(F)c1 ZINC001168397467 1036962099 /nfs/dbraw/zinc/96/20/99/1036962099.db2.gz OBRFCKMKKHJWDS-UHFFFAOYSA-N 1 3 334.454 4.019 20 0 EIADHO C[NH+](C)CC[C@@H](NCc1ccc(OCC(F)(F)F)cc1)C(C)(C)C ZINC000604771097 1037510983 /nfs/dbraw/zinc/51/09/83/1037510983.db2.gz VQRYHKUBSBOORM-MRXNPFEDSA-N 1 3 346.437 4.084 20 0 EIADHO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000604757455 1037525943 /nfs/dbraw/zinc/52/59/43/1037525943.db2.gz FJLXEQVKYODRRL-QGZVFWFLSA-N 1 3 331.463 4.294 20 0 EIADHO C[C@H]([NH3+])C1CCN(Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000414673638 1037777410 /nfs/dbraw/zinc/77/74/10/1037777410.db2.gz PBHILGGOELGSMC-ZDUSSCGKSA-N 1 3 341.480 4.116 20 0 EIADHO c1ccc2cc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)ccc2c1 ZINC000422700358 1037802452 /nfs/dbraw/zinc/80/24/52/1037802452.db2.gz GRGCRDWYRJSXEZ-FYYLOGMGSA-N 1 3 344.458 4.185 20 0 EIADHO CCCC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(OC)cc1 ZINC000422718076 1037813386 /nfs/dbraw/zinc/81/33/86/1037813386.db2.gz WLQZOFYBIUDOGF-KKSFZXQISA-N 1 3 341.499 4.439 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000422716078 1037813696 /nfs/dbraw/zinc/81/36/96/1037813696.db2.gz MWNOALAHMZTHCX-HOTGVXAUSA-N 1 3 325.500 4.256 20 0 EIADHO Cc1cccc([C@H](C)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1C ZINC000422747216 1037824323 /nfs/dbraw/zinc/82/43/23/1037824323.db2.gz PMTVXJZNPUUBNG-XJABCFGWSA-N 1 3 336.479 4.210 20 0 EIADHO COc1cccc([C@H](N[C@@H](C)CCC[NH3+])c2ccccc2Cl)c1 ZINC000422776016 1037831054 /nfs/dbraw/zinc/83/10/54/1037831054.db2.gz BVQRLMXSYKEFPU-LIRRHRJNSA-N 1 3 332.875 4.155 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000422788107 1037835198 /nfs/dbraw/zinc/83/51/98/1037835198.db2.gz VESUDZWLVGQYRW-IFXJQAMLSA-N 1 3 329.463 4.426 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422814977 1037839489 /nfs/dbraw/zinc/83/94/89/1037839489.db2.gz WSFMKLDNQPTGHX-JKSUJKDBSA-N 1 3 346.478 4.323 20 0 EIADHO Cc1ccc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C ZINC000422792022 1037840300 /nfs/dbraw/zinc/84/03/00/1037840300.db2.gz ZABIKJFVKNZBET-UCNVEGJOSA-N 1 3 336.479 4.210 20 0 EIADHO CC[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)Oc1ccccc1Cl ZINC000422838306 1037843709 /nfs/dbraw/zinc/84/37/09/1037843709.db2.gz ODKPFABYASNVQU-BBRMVZONSA-N 1 3 347.890 4.010 20 0 EIADHO FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000422831611 1037843988 /nfs/dbraw/zinc/84/39/88/1037843988.db2.gz WVLAQMDYYBJLML-IRXDYDNUSA-N 1 3 326.406 4.073 20 0 EIADHO CC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccs1 ZINC000422950050 1037887486 /nfs/dbraw/zinc/88/74/86/1037887486.db2.gz VBLGWQYNYIYOFX-TXPKVOOTSA-N 1 3 328.481 4.045 20 0 EIADHO CC1(C)C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000422993379 1037891375 /nfs/dbraw/zinc/89/13/75/1037891375.db2.gz SRTPNRIENPSQBF-MIZPHKNDSA-N 1 3 348.490 4.255 20 0 EIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423006233 1037900151 /nfs/dbraw/zinc/90/01/51/1037900151.db2.gz USEAIOWJEKYFRU-RMVXJAJNSA-N 1 3 330.516 4.055 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000423023356 1037906792 /nfs/dbraw/zinc/90/67/92/1037906792.db2.gz JQFXIDNPUIWJBM-JKSUJKDBSA-N 1 3 325.500 4.254 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423033546 1037915918 /nfs/dbraw/zinc/91/59/18/1037915918.db2.gz OPVHVJQEVMJDEO-ZCGYKAAXSA-N 1 3 341.474 4.365 20 0 EIADHO C[C@@H](NCC1(c2ccc(Cl)cc2Cl)CCCC1)C1C[NH2+]C1 ZINC000423031698 1037917412 /nfs/dbraw/zinc/91/74/12/1037917412.db2.gz XQTFVVFRLFLOQA-GFCCVEGCSA-N 1 3 327.299 4.003 20 0 EIADHO [NH3+][C@H]1C[C@H](NCC2(CCOCc3ccccc3)CC2)c2ccccc21 ZINC000423054528 1037942078 /nfs/dbraw/zinc/94/20/78/1037942078.db2.gz USCMEPFRRCXFHK-SFTDATJTSA-N 1 3 336.479 4.108 20 0 EIADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423283850 1038091408 /nfs/dbraw/zinc/09/14/08/1038091408.db2.gz WKSUOUXPACOURO-QGTPRVQTSA-N 1 3 343.540 4.210 20 0 EIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Br)s2)cc1 ZINC000423290404 1038091447 /nfs/dbraw/zinc/09/14/47/1038091447.db2.gz CUVGXUFCAPPGSY-QWRGUYRKSA-N 1 3 339.302 4.381 20 0 EIADHO CCOc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1OCC ZINC000423291938 1038098185 /nfs/dbraw/zinc/09/81/85/1038098185.db2.gz KQCPOTCHIVOTSD-HOTGVXAUSA-N 1 3 342.483 4.355 20 0 EIADHO C[C@H](C[NH3+])CN[C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423304355 1038127286 /nfs/dbraw/zinc/12/72/86/1038127286.db2.gz YKPFDRSDZJPIPR-RISCZKNCSA-N 1 3 335.904 4.025 20 0 EIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000423323988 1038138523 /nfs/dbraw/zinc/13/85/23/1038138523.db2.gz JVIKBIBXQYIWBQ-LLVKDONJSA-N 1 3 335.904 4.304 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@@H]3CCC[C@H]([NH3+])C3)s2)cc1 ZINC000423370197 1038189922 /nfs/dbraw/zinc/18/99/22/1038189922.db2.gz FHXMZZHHMOTRTQ-VBNZEHGJSA-N 1 3 345.512 4.048 20 0 EIADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423454648 1038255128 /nfs/dbraw/zinc/25/51/28/1038255128.db2.gz ZHRIHOYPAZFEAQ-MJVIPROJSA-N 1 3 335.904 4.166 20 0 EIADHO COc1ccc2c(c1)[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)CCS2 ZINC000423503167 1038258034 /nfs/dbraw/zinc/25/80/34/1038258034.db2.gz FLWHCTGYZJUSLW-OALUTQOASA-N 1 3 342.508 4.302 20 0 EIADHO COc1ccc(Cl)cc1[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423514008 1038269834 /nfs/dbraw/zinc/26/98/34/1038269834.db2.gz WCUSJERTUIECRU-RDTXWAMCSA-N 1 3 332.875 4.479 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424311947 1038799388 /nfs/dbraw/zinc/79/93/88/1038799388.db2.gz LNZKKMFZBSLTNU-OALUTQOASA-N 1 3 343.540 4.137 20 0 EIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000480775854 1038811842 /nfs/dbraw/zinc/81/18/42/1038811842.db2.gz QPKPYDLFMQXTRH-QZTJIDSGSA-N 1 3 330.516 4.246 20 0 EIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000480775854 1038811845 /nfs/dbraw/zinc/81/18/45/1038811845.db2.gz QPKPYDLFMQXTRH-QZTJIDSGSA-N 1 3 330.516 4.246 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023380 1038958168 /nfs/dbraw/zinc/95/81/68/1038958168.db2.gz NDLRMRVNLVIEHW-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000481023380 1038958199 /nfs/dbraw/zinc/95/81/99/1038958199.db2.gz NDLRMRVNLVIEHW-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555232557 1039000099 /nfs/dbraw/zinc/00/00/99/1039000099.db2.gz HVPRVHXZAGIKNW-ZXHYAQOVSA-N 1 3 348.534 4.333 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225189 1039273452 /nfs/dbraw/zinc/27/34/52/1039273452.db2.gz CZWYUINCNLGCEM-HKUYNNGSSA-N 1 3 332.536 4.275 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000552225189 1039273482 /nfs/dbraw/zinc/27/34/82/1039273482.db2.gz CZWYUINCNLGCEM-HKUYNNGSSA-N 1 3 332.536 4.275 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000513858977 1039337991 /nfs/dbraw/zinc/33/79/91/1039337991.db2.gz GNHWIQMOWWUXGZ-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000513882639 1039343845 /nfs/dbraw/zinc/34/38/45/1039343845.db2.gz MYLNQFIQCCADMP-ROUUACIJSA-N 1 3 328.491 4.256 20 0 EIADHO c1nc(CNCCCCC[NH+]2CCCC2)sc1-c1ccccc1 ZINC000555612483 1039447476 /nfs/dbraw/zinc/44/74/76/1039447476.db2.gz OLXQUIQSQUNMLA-UHFFFAOYSA-N 1 3 329.513 4.166 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@@H+]1C ZINC000481740608 1039804170 /nfs/dbraw/zinc/80/41/70/1039804170.db2.gz MUTHHPPYNRGWLB-IPHXSNPTSA-N 1 3 344.449 4.321 20 0 EIADHO C[C@@H]1C[C@H](N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC[N@H+]1C ZINC000481740608 1039804174 /nfs/dbraw/zinc/80/41/74/1039804174.db2.gz MUTHHPPYNRGWLB-IPHXSNPTSA-N 1 3 344.449 4.321 20 0 EIADHO c1ccc(Oc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)cc1 ZINC001168352833 1039822598 /nfs/dbraw/zinc/82/25/98/1039822598.db2.gz GJTIFMUYKBBRQB-UHFFFAOYSA-N 1 3 336.479 4.443 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2c(C3CCC3)cnn2C)CC1 ZINC000667966577 1039850615 /nfs/dbraw/zinc/85/06/15/1039850615.db2.gz MYGUKHPCTYEDAS-UHFFFAOYSA-N 1 3 346.563 4.022 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@H](c2cccnc2)C2CCC2)CC1 ZINC000481920547 1039895801 /nfs/dbraw/zinc/89/58/01/1039895801.db2.gz JNSCMQOISBTVCY-QHCPKHFHSA-N 1 3 349.522 4.485 20 0 EIADHO CCN1CCC[C@H](C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000551186154 1040034864 /nfs/dbraw/zinc/03/48/64/1040034864.db2.gz FFGAVOSBIPYIAO-CQSZACIVSA-N 1 3 349.931 4.285 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000514637714 1040074494 /nfs/dbraw/zinc/07/44/94/1040074494.db2.gz SLUWKGAHGLSIGF-YLJYHZDGSA-N 1 3 343.559 4.300 20 0 EIADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479120783 1040154438 /nfs/dbraw/zinc/15/44/38/1040154438.db2.gz UMRCYDKHPYMVGC-FQEVSTJZSA-N 1 3 344.886 4.058 20 0 EIADHO Fc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000514764007 1040228013 /nfs/dbraw/zinc/22/80/13/1040228013.db2.gz LFAUJKQRRNJZRU-UHFFFAOYSA-N 1 3 338.898 4.408 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443007 1040250243 /nfs/dbraw/zinc/25/02/43/1040250243.db2.gz FCYNTBQBECHXDS-MOPGFXCFSA-N 1 3 328.525 4.353 20 0 EIADHO CC[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccs1 ZINC000482443007 1040250255 /nfs/dbraw/zinc/25/02/55/1040250255.db2.gz FCYNTBQBECHXDS-MOPGFXCFSA-N 1 3 328.525 4.353 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000479420301 1040321449 /nfs/dbraw/zinc/32/14/49/1040321449.db2.gz HVSRFICGYDFIFS-NRFANRHFSA-N 1 3 326.459 4.445 20 0 EIADHO C[C@@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000666993718 1040364330 /nfs/dbraw/zinc/36/43/30/1040364330.db2.gz GIUWQYBUYCFZFX-BBRMVZONSA-N 1 3 326.406 4.073 20 0 EIADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995349 1040404598 /nfs/dbraw/zinc/40/45/98/1040404598.db2.gz KPBCCIVWCZSQBF-WMLDXEAASA-N 1 3 340.433 4.291 20 0 EIADHO CC(C)c1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000539852581 1040848164 /nfs/dbraw/zinc/84/81/64/1040848164.db2.gz YLMPMPDWJAFFFK-UHFFFAOYSA-N 1 3 335.561 4.355 20 0 EIADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000537883264 1040871705 /nfs/dbraw/zinc/87/17/05/1040871705.db2.gz QQVZAXXVLDWKCE-ZACQAIPSSA-N 1 3 349.588 4.431 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483483451 1040872090 /nfs/dbraw/zinc/87/20/90/1040872090.db2.gz NNFKUGPRECHSNE-KMFMINBZSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483483451 1040872095 /nfs/dbraw/zinc/87/20/95/1040872095.db2.gz NNFKUGPRECHSNE-KMFMINBZSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000483483451 1040872097 /nfs/dbraw/zinc/87/20/97/1040872097.db2.gz NNFKUGPRECHSNE-KMFMINBZSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000483483451 1040872107 /nfs/dbraw/zinc/87/21/07/1040872107.db2.gz NNFKUGPRECHSNE-KMFMINBZSA-N 1 3 326.406 4.183 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740222 1040992385 /nfs/dbraw/zinc/99/23/85/1040992385.db2.gz HWPIKSPXGYGELJ-RXVVDRJESA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379740222 1040992407 /nfs/dbraw/zinc/99/24/07/1040992407.db2.gz HWPIKSPXGYGELJ-RXVVDRJESA-N 1 3 326.459 4.389 20 0 EIADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCCC2 ZINC000483841135 1041040616 /nfs/dbraw/zinc/04/06/16/1041040616.db2.gz VWMCBVHQELTRHW-WOJBJXKFSA-N 1 3 334.548 4.111 20 0 EIADHO C[C@H](CC[NH3+])NCc1ccc(-c2ccccc2Br)s1 ZINC000414884102 1041223828 /nfs/dbraw/zinc/22/38/28/1041223828.db2.gz AVQOHHSCOAIUDM-LLVKDONJSA-N 1 3 339.302 4.005 20 0 EIADHO Cc1cccc(OCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463072630 1041318168 /nfs/dbraw/zinc/31/81/68/1041318168.db2.gz RAKDZKVTZMFKDX-TZIWHRDSSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1cccc(OCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463072630 1041318183 /nfs/dbraw/zinc/31/81/83/1041318183.db2.gz RAKDZKVTZMFKDX-TZIWHRDSSA-N 1 3 338.495 4.017 20 0 EIADHO CC(C)CC1(C[NH2+][C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1 ZINC000540493333 1041496839 /nfs/dbraw/zinc/49/68/39/1041496839.db2.gz ZONZMOLTWAITBR-LJQANCHMSA-N 1 3 342.527 4.391 20 0 EIADHO Cc1ccc2cc([C@@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)oc2c1 ZINC000425927138 1041950885 /nfs/dbraw/zinc/95/08/85/1041950885.db2.gz YNPULDBLPDUHKE-FGTMMUONSA-N 1 3 344.499 4.281 20 0 EIADHO Cc1ccc2cc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)oc2c1 ZINC000425927139 1041951862 /nfs/dbraw/zinc/95/18/62/1041951862.db2.gz YNPULDBLPDUHKE-KSZLIROESA-N 1 3 344.499 4.281 20 0 EIADHO Cc1ccc2cc([C@H](C)[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)oc2c1 ZINC000425927140 1041952260 /nfs/dbraw/zinc/95/22/60/1041952260.db2.gz YNPULDBLPDUHKE-KURKYZTESA-N 1 3 344.499 4.281 20 0 EIADHO FC1(F)CC(C[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000425940700 1042018135 /nfs/dbraw/zinc/01/81/35/1042018135.db2.gz XNIPNMOUVJKIMA-XUVXKRRUSA-N 1 3 348.481 4.312 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000541603539 1042038490 /nfs/dbraw/zinc/03/84/90/1042038490.db2.gz WICIHGNPRGVDDH-UEXGIBASSA-N 1 3 326.528 4.034 20 0 EIADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000541908757 1042165700 /nfs/dbraw/zinc/16/57/00/1042165700.db2.gz MCRNNYSBYDUBEI-AWEZNQCLSA-N 1 3 334.916 4.452 20 0 EIADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)C1 ZINC000541908757 1042165702 /nfs/dbraw/zinc/16/57/02/1042165702.db2.gz MCRNNYSBYDUBEI-AWEZNQCLSA-N 1 3 334.916 4.452 20 0 EIADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1C ZINC000303149414 1042323176 /nfs/dbraw/zinc/32/31/76/1042323176.db2.gz FCWXXNPJMNTAEJ-QFIPXVFZSA-N 1 3 336.523 4.266 20 0 EIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258747 1042436455 /nfs/dbraw/zinc/43/64/55/1042436455.db2.gz TYDROYGRANIVFW-PGRDOPGGSA-N 1 3 338.495 4.038 20 0 EIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OCc2ccccc2)cc1 ZINC000518258747 1042436461 /nfs/dbraw/zinc/43/64/61/1042436461.db2.gz TYDROYGRANIVFW-PGRDOPGGSA-N 1 3 338.495 4.038 20 0 EIADHO c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(OCC2CCCCC2)c1 ZINC000518767821 1042676791 /nfs/dbraw/zinc/67/67/91/1042676791.db2.gz TUSZRKVKSBEVFJ-FQEVSTJZSA-N 1 3 342.527 4.220 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H]2CCCc3ccc(C(C)C)cc32)CC1 ZINC000536420617 1042848665 /nfs/dbraw/zinc/84/86/65/1042848665.db2.gz LDUMLUIMYBSSHT-JOCHJYFZSA-N 1 3 344.543 4.278 20 0 EIADHO COc1ccc([C@H](C)NC2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC000178254506 1042862052 /nfs/dbraw/zinc/86/20/52/1042862052.db2.gz WCYSNPOUDPZBDL-INIZCTEOSA-N 1 3 338.495 4.373 20 0 EIADHO c1cc2cccc(CNC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000310953062 1043201282 /nfs/dbraw/zinc/20/12/82/1043201282.db2.gz ZQJPICCKIUSPAE-LJQANCHMSA-N 1 3 333.479 4.170 20 0 EIADHO c1cc2cccc(CNC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2[nH]1 ZINC000310953062 1043201298 /nfs/dbraw/zinc/20/12/98/1043201298.db2.gz ZQJPICCKIUSPAE-LJQANCHMSA-N 1 3 333.479 4.170 20 0 EIADHO c1ccc2ncc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2c1 ZINC000727464557 1043223907 /nfs/dbraw/zinc/22/39/07/1043223907.db2.gz TVYKIPCUAJCKQM-UHFFFAOYSA-N 1 3 331.463 4.120 20 0 EIADHO C[C@@H]1C[C@@H](Nc2cccc(F)c2CN)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011590 1043334295 /nfs/dbraw/zinc/33/42/95/1043334295.db2.gz PTVVMFCREJZXFP-ALXJQNPVSA-N 1 3 341.474 4.138 20 0 EIADHO C[C@@H]1C[C@@H](Nc2cccc(F)c2CN)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011590 1043334310 /nfs/dbraw/zinc/33/43/10/1043334310.db2.gz PTVVMFCREJZXFP-ALXJQNPVSA-N 1 3 341.474 4.138 20 0 EIADHO Cc1cscc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000494448261 1043490446 /nfs/dbraw/zinc/49/04/46/1043490446.db2.gz FJLVDSWIAOSEGE-ACDBMABISA-N 1 3 326.509 4.342 20 0 EIADHO Clc1cccc2c1C[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC001168707182 1043895689 /nfs/dbraw/zinc/89/56/89/1043895689.db2.gz KCYJLMGCIRMGAX-QGZVFWFLSA-N 1 3 332.919 4.194 20 0 EIADHO Clc1cccc2c1C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC001168707182 1043895691 /nfs/dbraw/zinc/89/56/91/1043895691.db2.gz KCYJLMGCIRMGAX-QGZVFWFLSA-N 1 3 332.919 4.194 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000474051435 1044306646 /nfs/dbraw/zinc/30/66/46/1044306646.db2.gz CKNOFKDDSDOAAA-OAQYLSRUSA-N 1 3 342.527 4.414 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000494880544 1044466202 /nfs/dbraw/zinc/46/62/02/1044466202.db2.gz SNLZLVMODBMLOP-LQWHRVPQSA-N 1 3 348.506 4.148 20 0 EIADHO CC[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)s1 ZINC000675880105 1044552586 /nfs/dbraw/zinc/55/25/86/1044552586.db2.gz BFKIJGVEYVYTMH-CABCVRRESA-N 1 3 342.936 4.086 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000113500848 1044605930 /nfs/dbraw/zinc/60/59/30/1044605930.db2.gz YYWYJZSMZAGNDW-UHFFFAOYSA-N 1 3 339.483 4.038 20 0 EIADHO CCC[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1cccnc1 ZINC000544570184 1044943570 /nfs/dbraw/zinc/94/35/70/1044943570.db2.gz WPZYJFSKSXZZKF-GHTZIAJQSA-N 1 3 325.500 4.423 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(OC)c(Cl)c1 ZINC000236913304 1045370609 /nfs/dbraw/zinc/37/06/09/1045370609.db2.gz XDNQRKBYENOINY-UHFFFAOYSA-N 1 3 346.902 4.480 20 0 EIADHO Cc1ccc([C@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000237532413 1045388213 /nfs/dbraw/zinc/38/82/13/1045388213.db2.gz VPZOSECVWQZCCH-KRWDZBQOSA-N 1 3 326.459 4.449 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(Br)c1 ZINC000768252821 1045765268 /nfs/dbraw/zinc/76/52/68/1045765268.db2.gz RJIISZDRIUTQSN-UHFFFAOYSA-N 1 3 347.300 4.143 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000123470513 1046155872 /nfs/dbraw/zinc/15/58/72/1046155872.db2.gz ZCXVECWZGBJQNG-UHFFFAOYSA-N 1 3 343.540 4.364 20 0 EIADHO C[C@@H]([NH2+]CCc1ccc(Cl)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508718465 1046376371 /nfs/dbraw/zinc/37/63/71/1046376371.db2.gz IZAOAWBQCPDPEG-NVXWUHKLSA-N 1 3 348.943 4.444 20 0 EIADHO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508722031 1046420658 /nfs/dbraw/zinc/42/06/58/1046420658.db2.gz QUTGCHMSSXOLLZ-GHTZIAJQSA-N 1 3 338.495 4.004 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000536652558 1046595712 /nfs/dbraw/zinc/59/57/12/1046595712.db2.gz XGNPXHPYCRGVDU-UHFFFAOYSA-N 1 3 330.516 4.028 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000536652558 1046595732 /nfs/dbraw/zinc/59/57/32/1046595732.db2.gz XGNPXHPYCRGVDU-UHFFFAOYSA-N 1 3 330.516 4.028 20 0 EIADHO CN(Cc1cccc2cc[nH]c21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536677260 1046664053 /nfs/dbraw/zinc/66/40/53/1046664053.db2.gz GSABXYYCRSFLLN-LJQANCHMSA-N 1 3 333.479 4.122 20 0 EIADHO CN(Cc1cccc2cc[nH]c21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536677260 1046664077 /nfs/dbraw/zinc/66/40/77/1046664077.db2.gz GSABXYYCRSFLLN-LJQANCHMSA-N 1 3 333.479 4.122 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@H](C)C1 ZINC000536682262 1046685292 /nfs/dbraw/zinc/68/52/92/1046685292.db2.gz BJCDJJXDORATLU-IIBYNOLFSA-N 1 3 326.484 4.011 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@H](C)C1 ZINC000536682262 1046685300 /nfs/dbraw/zinc/68/53/00/1046685300.db2.gz BJCDJJXDORATLU-IIBYNOLFSA-N 1 3 326.484 4.011 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379657624 1046760338 /nfs/dbraw/zinc/76/03/38/1046760338.db2.gz UAPVFNOKVQHUJN-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO COc1cccc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379657624 1046760354 /nfs/dbraw/zinc/76/03/54/1046760354.db2.gz UAPVFNOKVQHUJN-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000536855960 1046826136 /nfs/dbraw/zinc/82/61/36/1046826136.db2.gz CVIQTDCLMNLHJN-LGGPRVQUSA-N 1 3 344.543 4.110 20 0 EIADHO C[C@H]1CN(CCCC[NH2+]C2CCC(c3ccccc3)CC2)C[C@H](C)O1 ZINC000536858399 1046826632 /nfs/dbraw/zinc/82/66/32/1046826632.db2.gz PAMQFKQKVYGUHK-CDNGDFIJSA-N 1 3 344.543 4.192 20 0 EIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCC2CC2)c(F)c1 ZINC000537123101 1046953944 /nfs/dbraw/zinc/95/39/44/1046953944.db2.gz CMRWDMLZFHNVEX-MAUKXSAKSA-N 1 3 334.479 4.140 20 0 EIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788538613 1047216403 /nfs/dbraw/zinc/21/64/03/1047216403.db2.gz HZVLETKVVVJAOJ-BFYDXBDKSA-N 1 3 335.923 4.070 20 0 EIADHO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000788592443 1047241806 /nfs/dbraw/zinc/24/18/06/1047241806.db2.gz LFYCEWDBCURIOT-KRWDZBQOSA-N 1 3 339.483 4.014 20 0 EIADHO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)c1cc[nH]c(=O)c1 ZINC000788592447 1047241737 /nfs/dbraw/zinc/24/17/37/1047241737.db2.gz LFYCEWDBCURIOT-QGZVFWFLSA-N 1 3 339.483 4.014 20 0 EIADHO C[C@@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170119550 1047470789 /nfs/dbraw/zinc/47/07/89/1047470789.db2.gz YIKOLXUIUIBEGW-CZUORRHYSA-N 1 3 326.406 4.144 20 0 EIADHO C[C@H](NCc1coc2ccccc12)c1cccc(OCC[NH+](C)C)c1 ZINC000556216779 1047566601 /nfs/dbraw/zinc/56/66/01/1047566601.db2.gz JOFRDUAQGIUGSD-INIZCTEOSA-N 1 3 338.451 4.224 20 0 EIADHO CCC[C@@H](CC)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000556231266 1047596066 /nfs/dbraw/zinc/59/60/66/1047596066.db2.gz UNPJRFAEUQDCEA-LEWJYISDSA-N 1 3 344.543 4.084 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887849 1048099911 /nfs/dbraw/zinc/09/99/11/1048099911.db2.gz MGQXTUWWPAZQGA-NZSAHSFTSA-N 1 3 334.454 4.065 20 0 EIADHO FC1(F)CC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000556887849 1048099926 /nfs/dbraw/zinc/09/99/26/1048099926.db2.gz MGQXTUWWPAZQGA-NZSAHSFTSA-N 1 3 334.454 4.065 20 0 EIADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171107961 1048209374 /nfs/dbraw/zinc/20/93/74/1048209374.db2.gz FDECUXXAMJXZHL-LJQANCHMSA-N 1 3 332.919 4.181 20 0 EIADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3cccs3)C2)s1 ZINC000844325997 1048296179 /nfs/dbraw/zinc/29/61/79/1048296179.db2.gz FQWNLGRSSQBMTP-MRXNPFEDSA-N 1 3 334.554 4.114 20 0 EIADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3cccs3)C2)s1 ZINC000844325997 1048296190 /nfs/dbraw/zinc/29/61/90/1048296190.db2.gz FQWNLGRSSQBMTP-MRXNPFEDSA-N 1 3 334.554 4.114 20 0 EIADHO C[NH2+]Cc1ccccc1CNCc1ccc(SC(F)(F)F)cc1 ZINC000844905069 1048540947 /nfs/dbraw/zinc/54/09/47/1048540947.db2.gz USDNOXBWESJCRP-UHFFFAOYSA-N 1 3 340.414 4.308 20 0 EIADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000817897292 1049055916 /nfs/dbraw/zinc/05/59/16/1049055916.db2.gz JQXQYJHLSUXHMS-VXGBXAGGSA-N 1 3 345.350 4.035 20 0 EIADHO C[C@@H]1C[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ccccc21 ZINC000817912518 1049059714 /nfs/dbraw/zinc/05/97/14/1049059714.db2.gz VHKANXZUNWIEED-YHQLXQCYSA-N 1 3 334.463 4.080 20 0 EIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)c(N)c(Cl)c1 ZINC000817969441 1049073128 /nfs/dbraw/zinc/07/31/28/1049073128.db2.gz VAPIJUGWBUXALG-JTQLQIEISA-N 1 3 336.266 4.030 20 0 EIADHO Cc1c([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cnn1-c1ccccc1 ZINC000817981774 1049077181 /nfs/dbraw/zinc/07/71/81/1049077181.db2.gz NPORQOQAJFWIML-HTAPYJJXSA-N 1 3 348.494 4.312 20 0 EIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000817982287 1049078322 /nfs/dbraw/zinc/07/83/22/1049078322.db2.gz QWRZERFNXDURNX-UWJYYQICSA-N 1 3 334.467 4.003 20 0 EIADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001170911689 1049197261 /nfs/dbraw/zinc/19/72/61/1049197261.db2.gz YYHOOGKFXXNNGT-IBGZPJMESA-N 1 3 346.946 4.442 20 0 EIADHO [NH3+]C1CCC(N(c2c[nH]cc3ccnc2-3)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170646937 1049308262 /nfs/dbraw/zinc/30/82/62/1049308262.db2.gz YRXICFOMVDYOCM-GHBBCFCZSA-N 1 3 346.478 4.195 20 0 EIADHO Fc1cccc2c1CC[C@@H](N1CCCC[C@H]1CC[NH+]1CCCC1)C2 ZINC001171434020 1049674823 /nfs/dbraw/zinc/67/48/23/1049674823.db2.gz PMPLLEMGYBUIAV-RBUKOAKNSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171434020 1049674828 /nfs/dbraw/zinc/67/48/28/1049674828.db2.gz PMPLLEMGYBUIAV-RBUKOAKNSA-N 1 3 330.491 4.023 20 0 EIADHO Fc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)C2 ZINC001171434020 1049674836 /nfs/dbraw/zinc/67/48/36/1049674836.db2.gz PMPLLEMGYBUIAV-RBUKOAKNSA-N 1 3 330.491 4.023 20 0 EIADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171445372 1049697195 /nfs/dbraw/zinc/69/71/95/1049697195.db2.gz JRUOPZCEFFNEAJ-FQEVSTJZSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171445372 1049697205 /nfs/dbraw/zinc/69/72/05/1049697205.db2.gz JRUOPZCEFFNEAJ-FQEVSTJZSA-N 1 3 344.518 4.412 20 0 EIADHO C[NH+](C)CCC1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000615463937 1049697789 /nfs/dbraw/zinc/69/77/89/1049697789.db2.gz BPMNAQYAWIOBIC-UHFFFAOYSA-N 1 3 345.314 4.036 20 0 EIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171465942 1049707231 /nfs/dbraw/zinc/70/72/31/1049707231.db2.gz KQIWUIXCMOPHLJ-QGZVFWFLSA-N 1 3 336.470 4.065 20 0 EIADHO Fc1cc2c(cc1F)C[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001171486350 1049717321 /nfs/dbraw/zinc/71/73/21/1049717321.db2.gz BPLIABWPBCWRNO-MOPGFXCFSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc2c(cc1F)C[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)CC2 ZINC001171486350 1049717337 /nfs/dbraw/zinc/71/73/37/1049717337.db2.gz BPLIABWPBCWRNO-MOPGFXCFSA-N 1 3 348.481 4.163 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495141 1049720529 /nfs/dbraw/zinc/72/05/29/1049720529.db2.gz XTNDEBFJWRHBDH-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495141 1049720539 /nfs/dbraw/zinc/72/05/39/1049720539.db2.gz XTNDEBFJWRHBDH-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495141 1049720550 /nfs/dbraw/zinc/72/05/50/1049720550.db2.gz XTNDEBFJWRHBDH-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495141 1049720561 /nfs/dbraw/zinc/72/05/61/1049720561.db2.gz XTNDEBFJWRHBDH-IPMKNSEASA-N 1 3 348.481 4.161 20 0 EIADHO CN1C(C)(C)CC([NH2+]CCCOc2cccc(Cl)c2)CC1(C)C ZINC001171619061 1049766084 /nfs/dbraw/zinc/76/60/84/1049766084.db2.gz GEQMZLPTWTVMRK-UHFFFAOYSA-N 1 3 338.923 4.350 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245550265 1049776183 /nfs/dbraw/zinc/77/61/83/1049776183.db2.gz OOAHYCYVKPMSAQ-MCIONIFRSA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245550265 1049776191 /nfs/dbraw/zinc/77/61/91/1049776191.db2.gz OOAHYCYVKPMSAQ-MCIONIFRSA-N 1 3 327.299 4.141 20 0 EIADHO COc1ccccc1C[C@@H](C)[N@H+](C)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642754 1049781102 /nfs/dbraw/zinc/78/11/02/1049781102.db2.gz MEYTYBSFHZVVGH-MRXNPFEDSA-N 1 3 332.532 4.209 20 0 EIADHO COc1ccccc1C[C@@H](C)[N@@H+](C)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642754 1049781110 /nfs/dbraw/zinc/78/11/10/1049781110.db2.gz MEYTYBSFHZVVGH-MRXNPFEDSA-N 1 3 332.532 4.209 20 0 EIADHO COc1ccccc1C[C@@H](C)N(C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642754 1049781120 /nfs/dbraw/zinc/78/11/20/1049781120.db2.gz MEYTYBSFHZVVGH-MRXNPFEDSA-N 1 3 332.532 4.209 20 0 EIADHO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccc(O)c1 ZINC001171967890 1049827846 /nfs/dbraw/zinc/82/78/46/1049827846.db2.gz NXPATKNCGAOEEB-XLIONFOSSA-N 1 3 338.495 4.486 20 0 EIADHO CC1(C)C[C@H](N2CCC(C(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171988968 1049831762 /nfs/dbraw/zinc/83/17/62/1049831762.db2.gz YEQIOKUWPLEYLD-GOSISDBHSA-N 1 3 336.470 4.407 20 0 EIADHO CC1(C)C[C@H](N2CCC(C(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988968 1049831764 /nfs/dbraw/zinc/83/17/64/1049831764.db2.gz YEQIOKUWPLEYLD-GOSISDBHSA-N 1 3 336.470 4.407 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171984846 1049840309 /nfs/dbraw/zinc/84/03/09/1049840309.db2.gz YCKPOFSKWIREJF-LAUBAEHRSA-N 1 3 337.511 4.363 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccc(N)cc1 ZINC001171984846 1049840311 /nfs/dbraw/zinc/84/03/11/1049840311.db2.gz YCKPOFSKWIREJF-LAUBAEHRSA-N 1 3 337.511 4.363 20 0 EIADHO C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001172062337 1049850117 /nfs/dbraw/zinc/85/01/17/1049850117.db2.gz NELUWNOIFSTXJW-AYWYSENESA-N 1 3 335.495 4.318 20 0 EIADHO c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cs1 ZINC001172064441 1049850768 /nfs/dbraw/zinc/85/07/68/1049850768.db2.gz GBGFHMCZRLFEED-OWZKRDHZSA-N 1 3 326.509 4.423 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC001172108352 1049856836 /nfs/dbraw/zinc/85/68/36/1049856836.db2.gz VDNJZBBOGRVKKM-OSMBCOQSSA-N 1 3 326.406 4.371 20 0 EIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC001172108352 1049856839 /nfs/dbraw/zinc/85/68/39/1049856839.db2.gz VDNJZBBOGRVKKM-OSMBCOQSSA-N 1 3 326.406 4.371 20 0 EIADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118816 1049859096 /nfs/dbraw/zinc/85/90/96/1049859096.db2.gz TVWVLNATGRGVMY-VSZNYVQBSA-N 1 3 340.515 4.270 20 0 EIADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118816 1049859098 /nfs/dbraw/zinc/85/90/98/1049859098.db2.gz TVWVLNATGRGVMY-VSZNYVQBSA-N 1 3 340.515 4.270 20 0 EIADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001172319422 1049877530 /nfs/dbraw/zinc/87/75/30/1049877530.db2.gz QUNPRFHXWOVOBT-OOOLTRJPSA-N 1 3 344.543 4.080 20 0 EIADHO CCN(Cc1ccccc1)C1CC[NH+]([C@@H](C)CCOC(C)C)CC1 ZINC001172447083 1049915066 /nfs/dbraw/zinc/91/50/66/1049915066.db2.gz AMKFOBVDLXRFCK-IBGZPJMESA-N 1 3 332.532 4.177 20 0 EIADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCN1CCC(C)CC1 ZINC001172836811 1050171407 /nfs/dbraw/zinc/17/14/07/1050171407.db2.gz HSJWYIQHWMTHHZ-HNNXBMFYSA-N 1 3 326.887 4.122 20 0 EIADHO C[C@@H](Cc1c(F)cccc1Cl)NCCC[NH+]1CCC(C)CC1 ZINC001172836811 1050171412 /nfs/dbraw/zinc/17/14/12/1050171412.db2.gz HSJWYIQHWMTHHZ-HNNXBMFYSA-N 1 3 326.887 4.122 20 0 EIADHO C[C@@H](CSc1ccc(Cl)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC001172877652 1050216852 /nfs/dbraw/zinc/21/68/52/1050216852.db2.gz GPSITAQJDKMDFX-AWEZNQCLSA-N 1 3 338.948 4.285 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001172878124 1050221045 /nfs/dbraw/zinc/22/10/45/1050221045.db2.gz INEYFFBTCPOGGA-FVQBIDKESA-N 1 3 326.937 4.283 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001172878124 1050221063 /nfs/dbraw/zinc/22/10/63/1050221063.db2.gz INEYFFBTCPOGGA-FVQBIDKESA-N 1 3 326.937 4.283 20 0 EIADHO C[C@@H](CSc1ccc(Cl)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC001172883857 1050225581 /nfs/dbraw/zinc/22/55/81/1050225581.db2.gz UYMZMBSYVAXANW-AWEZNQCLSA-N 1 3 338.948 4.427 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000091317619 1050253868 /nfs/dbraw/zinc/25/38/68/1050253868.db2.gz QTRRGCDIQZEWAX-OAQYLSRUSA-N 1 3 348.506 4.148 20 0 EIADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)s1 ZINC001177668980 1050273752 /nfs/dbraw/zinc/27/37/52/1050273752.db2.gz LXOWZNGBARDTCF-LJQANCHMSA-N 1 3 342.552 4.355 20 0 EIADHO CC[NH+](CC)C1CCC(N2CCN(c3ccccc3Cl)CC2)CC1 ZINC001173114539 1050310770 /nfs/dbraw/zinc/31/07/70/1050310770.db2.gz ODPIGOMNLFOYKR-UHFFFAOYSA-N 1 3 349.950 4.115 20 0 EIADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198162 1050343279 /nfs/dbraw/zinc/34/32/79/1050343279.db2.gz PCWCUJDIATVAOR-LWEYNCJUSA-N 1 3 330.516 4.231 20 0 EIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173207340 1050368432 /nfs/dbraw/zinc/36/84/32/1050368432.db2.gz QVKQXBUGCXEIDV-PTUXOGIPSA-N 1 3 348.534 4.481 20 0 EIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173207340 1050368443 /nfs/dbraw/zinc/36/84/43/1050368443.db2.gz QVKQXBUGCXEIDV-PTUXOGIPSA-N 1 3 348.534 4.481 20 0 EIADHO CC1CC[NH+](C2CCC([NH2+]Cc3cc([O-])cc(Cl)c3)CC2)CC1 ZINC001178280456 1050426777 /nfs/dbraw/zinc/42/67/77/1050426777.db2.gz DGLURONMUGPCKG-UHFFFAOYSA-N 1 3 336.907 4.178 20 0 EIADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685382 1050537823 /nfs/dbraw/zinc/53/78/23/1050537823.db2.gz RUYBEULXGYOPCW-KBNVZVJVSA-N 1 3 326.528 4.276 20 0 EIADHO COc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1CN1CCCCC1 ZINC000182212390 1050542785 /nfs/dbraw/zinc/54/27/85/1050542785.db2.gz CMYQPMGHEHYNMZ-SFHVURJKSA-N 1 3 348.531 4.147 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cccs2)ccc1OC ZINC000182220928 1050550620 /nfs/dbraw/zinc/55/06/20/1050550620.db2.gz BMZPYQNOVQUAGM-HNNXBMFYSA-N 1 3 332.513 4.449 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCSCC2)ccc1OC ZINC000183200599 1051013701 /nfs/dbraw/zinc/01/37/01/1051013701.db2.gz ZGGZKLCEDXTNJD-OAHLLOKOSA-N 1 3 336.545 4.083 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(SC(F)F)ccc32)CC[N@@H+]1C ZINC000775393146 1051201267 /nfs/dbraw/zinc/20/12/67/1051201267.db2.gz LNHQCZMULJIFDY-IFIJOSMWSA-N 1 3 340.483 4.451 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(SC(F)F)ccc32)CC[N@H+]1C ZINC000775393146 1051201276 /nfs/dbraw/zinc/20/12/76/1051201276.db2.gz LNHQCZMULJIFDY-IFIJOSMWSA-N 1 3 340.483 4.451 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1CN1CCCCC1 ZINC000775395821 1051210429 /nfs/dbraw/zinc/21/04/29/1051210429.db2.gz MKFJRVKWBZSWRZ-QFBILLFUSA-N 1 3 348.556 4.227 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@H](OC)C(C)C)cc1CN1CCCCC1 ZINC000775396032 1051218837 /nfs/dbraw/zinc/21/88/37/1051218837.db2.gz OWYVVHMMDCBTCK-UTKZUKDTSA-N 1 3 348.531 4.003 20 0 EIADHO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1)[C@@H]1CCCO1 ZINC000775417831 1051292028 /nfs/dbraw/zinc/29/20/28/1051292028.db2.gz XNBJVSHTZQJSQQ-LRQRDZAKSA-N 1 3 348.531 4.145 20 0 EIADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(C2CC2)c1 ZINC001182031930 1051377647 /nfs/dbraw/zinc/37/76/47/1051377647.db2.gz KORVJBCTRNFQRF-PPNDLDFTSA-N 1 3 342.527 4.248 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774449660 1051595056 /nfs/dbraw/zinc/59/50/56/1051595056.db2.gz XFWZGDXYHSDDPG-NSHDSACASA-N 1 3 344.330 4.489 20 0 EIADHO C[C@H]([NH2+]Cc1nccc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775495802 1051602435 /nfs/dbraw/zinc/60/24/35/1051602435.db2.gz AFWHWTHUFHYYQM-RXVVDRJESA-N 1 3 345.490 4.235 20 0 EIADHO CC(C)C[N@H+](C)CCCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC001182714017 1051680717 /nfs/dbraw/zinc/68/07/17/1051680717.db2.gz KAQYUEWASHVXBD-OAHLLOKOSA-N 1 3 330.438 4.204 20 0 EIADHO CC(C)C[N@@H+](C)CCCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC001182714017 1051680722 /nfs/dbraw/zinc/68/07/22/1051680722.db2.gz KAQYUEWASHVXBD-OAHLLOKOSA-N 1 3 330.438 4.204 20 0 EIADHO C[C@@H]1SCC[C@H]1[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001182726493 1051687701 /nfs/dbraw/zinc/68/77/01/1051687701.db2.gz UBWVZDNFWOZPGK-DSKINZAPSA-N 1 3 346.584 4.408 20 0 EIADHO c1cc(CN2CCC(C[NH2+]CCCC3CCCCC3)CC2)ccn1 ZINC001182783124 1051710767 /nfs/dbraw/zinc/71/07/67/1051710767.db2.gz UFCUYSUDAQHONU-UHFFFAOYSA-N 1 3 329.532 4.244 20 0 EIADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001183095483 1051785937 /nfs/dbraw/zinc/78/59/37/1051785937.db2.gz QFQVCZGBMOYIHX-MJGOQNOKSA-N 1 3 339.527 4.201 20 0 EIADHO C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001184386266 1052002285 /nfs/dbraw/zinc/00/22/85/1052002285.db2.gz AMWFWTLGJPVKGC-FJTGNWTPSA-N 1 3 334.507 4.214 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CNCc1cnc(-c2ccccc2)[nH]1 ZINC001177127721 1052226632 /nfs/dbraw/zinc/22/66/32/1052226632.db2.gz KPULZKFORQUJBZ-UHFFFAOYSA-N 1 3 348.494 4.208 20 0 EIADHO Cc1nc(-c2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cc2)cs1 ZINC000623379222 1052639714 /nfs/dbraw/zinc/63/97/14/1052639714.db2.gz DPULMEAXKYTTPC-KRWDZBQOSA-N 1 3 329.513 4.081 20 0 EIADHO COc1ccc([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177979593 1052695745 /nfs/dbraw/zinc/69/57/45/1052695745.db2.gz GNMBLPKJDXSOGW-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000177979593 1052695747 /nfs/dbraw/zinc/69/57/47/1052695747.db2.gz GNMBLPKJDXSOGW-QGZVFWFLSA-N 1 3 326.484 4.386 20 0 EIADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656915 1052698485 /nfs/dbraw/zinc/69/84/85/1052698485.db2.gz FMWKFQBMRXWOLV-SFKKXYGYSA-N 1 3 338.442 4.013 20 0 EIADHO C/C(=C\c1ccccc1OC(F)F)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656915 1052698488 /nfs/dbraw/zinc/69/84/88/1052698488.db2.gz FMWKFQBMRXWOLV-SFKKXYGYSA-N 1 3 338.442 4.013 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC(F)F)cc1 ZINC000624120225 1052867213 /nfs/dbraw/zinc/86/72/13/1052867213.db2.gz UPLSCUDDTUKNME-YOEHRIQHSA-N 1 3 326.431 4.061 20 0 EIADHO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(C3CCCC3)CC2)cc1F ZINC000185301391 1053016133 /nfs/dbraw/zinc/01/61/33/1053016133.db2.gz DRMVODBCXMOTLQ-MRXNPFEDSA-N 1 3 348.506 4.010 20 0 EIADHO C[C@@H](NCCSc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706639 1053021289 /nfs/dbraw/zinc/02/12/89/1053021289.db2.gz DKESLWHYHAKWCM-CVEARBPZSA-N 1 3 336.520 4.160 20 0 EIADHO C[C@@H](NCCSc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706639 1053021291 /nfs/dbraw/zinc/02/12/91/1053021291.db2.gz DKESLWHYHAKWCM-CVEARBPZSA-N 1 3 336.520 4.160 20 0 EIADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCO1 ZINC000381195272 1053057182 /nfs/dbraw/zinc/05/71/82/1053057182.db2.gz ZVBSNEPYWJPDKP-BDTNDASRSA-N 1 3 344.543 4.082 20 0 EIADHO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000119683811 1053089344 /nfs/dbraw/zinc/08/93/44/1053089344.db2.gz DXAZOJNMBLSJMM-CMKODMSKSA-N 1 3 344.543 4.259 20 0 EIADHO CSC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCC1 ZINC000381904869 1053110601 /nfs/dbraw/zinc/11/06/01/1053110601.db2.gz IKVUGFDBUZUMNF-IBGZPJMESA-N 1 3 332.557 4.164 20 0 EIADHO C[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382169304 1053156830 /nfs/dbraw/zinc/15/68/30/1053156830.db2.gz PKKQCTFSXKLHFD-PGRDOPGGSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cc2ccccc2[nH]1 ZINC000775628272 1053221132 /nfs/dbraw/zinc/22/11/32/1053221132.db2.gz QSTOMFVCZAVHFI-AZUAARDMSA-N 1 3 347.506 4.383 20 0 EIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000850516958 1053277268 /nfs/dbraw/zinc/27/72/68/1053277268.db2.gz LUEMHWCWZDFXDE-OAQYLSRUSA-N 1 3 329.532 4.242 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)ccc1OC ZINC000850570785 1053324563 /nfs/dbraw/zinc/32/45/63/1053324563.db2.gz IWTBLYHAACMWCY-APWZRJJASA-N 1 3 348.531 4.003 20 0 EIADHO Cc1ccc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001203301128 1053429084 /nfs/dbraw/zinc/42/90/84/1053429084.db2.gz CZZUETMWKQKEGJ-UHFFFAOYSA-N 1 3 338.495 4.466 20 0 EIADHO CC(C)(C)OC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000865698120 1053575014 /nfs/dbraw/zinc/57/50/14/1053575014.db2.gz IRNRGDIDLAFNDD-UHFFFAOYSA-N 1 3 336.564 4.499 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856604484 1054092329 /nfs/dbraw/zinc/09/23/29/1054092329.db2.gz NZYAQMLBJOIJSM-HXUWFJFHSA-N 1 3 347.547 4.201 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)ccn1 ZINC000856604484 1054092341 /nfs/dbraw/zinc/09/23/41/1054092341.db2.gz NZYAQMLBJOIJSM-HXUWFJFHSA-N 1 3 347.547 4.201 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)ccc1OC ZINC000857082519 1054175168 /nfs/dbraw/zinc/17/51/68/1054175168.db2.gz WUHINHLAGAPSJR-PBHICJAKSA-N 1 3 340.458 4.233 20 0 EIADHO COc1c(C)cc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1Cl ZINC000873235557 1054512579 /nfs/dbraw/zinc/51/25/79/1054512579.db2.gz ONYMQSCCSSFUAE-AWEZNQCLSA-N 1 3 344.886 4.154 20 0 EIADHO c1cc(CN2CCC3(C2)CC[NH+](CCCc2ccccc2)CC3)co1 ZINC001201662820 1054879102 /nfs/dbraw/zinc/87/91/02/1054879102.db2.gz KWJSGSVRXBPOSZ-UHFFFAOYSA-N 1 3 338.495 4.200 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546112 1055226764 /nfs/dbraw/zinc/22/67/64/1055226764.db2.gz JKIZTMMDQIPBSC-LBPRGKRZSA-N 1 3 344.409 4.049 20 0 EIADHO CC[N@H+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743873779 1059197347 /nfs/dbraw/zinc/19/73/47/1059197347.db2.gz VCRGOBKRBQMJMO-SJORKVTESA-N 1 3 341.326 4.024 20 0 EIADHO CC[N@@H+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743873779 1059197371 /nfs/dbraw/zinc/19/73/71/1059197371.db2.gz VCRGOBKRBQMJMO-SJORKVTESA-N 1 3 341.326 4.024 20 0 EIADHO CN(Cc1cccc2cnccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183294984 1059980835 /nfs/dbraw/zinc/98/08/35/1059980835.db2.gz CYYNSBRIAXXUFC-FQEVSTJZSA-N 1 3 345.490 4.189 20 0 EIADHO CN(Cc1cccc2cnccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183294984 1059980863 /nfs/dbraw/zinc/98/08/63/1059980863.db2.gz CYYNSBRIAXXUFC-FQEVSTJZSA-N 1 3 345.490 4.189 20 0 EIADHO C[C@H]1CN(Cc2cccc(C(F)(F)F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205995739 1060510445 /nfs/dbraw/zinc/51/04/45/1060510445.db2.gz PTMFGELENJHKPF-NWDGAFQWSA-N 1 3 334.813 4.166 20 0 EIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154970 1060670623 /nfs/dbraw/zinc/67/06/23/1060670623.db2.gz VGTCDVTZZDTYDA-FVQHAEBGSA-N 1 3 326.406 4.153 20 0 EIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154970 1060670631 /nfs/dbraw/zinc/67/06/31/1060670631.db2.gz VGTCDVTZZDTYDA-FVQHAEBGSA-N 1 3 326.406 4.153 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)s2)cc1 ZINC000532249384 1032110313 /nfs/dbraw/zinc/11/03/13/1032110313.db2.gz WYXNNSZKMKCTEY-YZVOILCLSA-N 1 3 344.524 4.242 20 0 EIADHO COc1ccc(-c2ccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)s2)cc1 ZINC000532249384 1032110335 /nfs/dbraw/zinc/11/03/35/1032110335.db2.gz WYXNNSZKMKCTEY-YZVOILCLSA-N 1 3 344.524 4.242 20 0 EIADHO Clc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000533077438 1032476616 /nfs/dbraw/zinc/47/66/16/1032476616.db2.gz BMXLLAHCDCNYPG-UZLBHIALSA-N 1 3 348.918 4.058 20 0 EIADHO Clc1ccc(OCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000533077438 1032476633 /nfs/dbraw/zinc/47/66/33/1032476633.db2.gz BMXLLAHCDCNYPG-UZLBHIALSA-N 1 3 348.918 4.058 20 0 EIADHO CC[C@H](C)Oc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1OC ZINC000666755297 1032510587 /nfs/dbraw/zinc/51/05/87/1032510587.db2.gz KMCOEADNZASEOO-HOTGVXAUSA-N 1 3 342.483 4.182 20 0 EIADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000683141525 1018908041 /nfs/dbraw/zinc/90/80/41/1018908041.db2.gz YPAXAOYRJSINOW-UHFFFAOYSA-N 1 3 344.474 4.082 20 0 EIADHO CN(C)[C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000683227150 1019544614 /nfs/dbraw/zinc/54/46/14/1019544614.db2.gz CCPLVWMVXCFVGI-KRWDZBQOSA-N 1 3 328.422 4.054 20 0 EIADHO CN(C)[C@H]1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000683227150 1019544633 /nfs/dbraw/zinc/54/46/33/1019544633.db2.gz CCPLVWMVXCFVGI-KRWDZBQOSA-N 1 3 328.422 4.054 20 0 EIADHO C[NH+](C)[C@H]1CCCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000683227150 1019544650 /nfs/dbraw/zinc/54/46/50/1019544650.db2.gz CCPLVWMVXCFVGI-KRWDZBQOSA-N 1 3 328.422 4.054 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000121279942 1020794899 /nfs/dbraw/zinc/79/48/99/1020794899.db2.gz NNUAFLAQVZWUOA-FQEVSTJZSA-N 1 3 330.422 4.194 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3c2cc(F)cc3F)c1 ZINC000121279942 1020794915 /nfs/dbraw/zinc/79/49/15/1020794915.db2.gz NNUAFLAQVZWUOA-FQEVSTJZSA-N 1 3 330.422 4.194 20 0 EIADHO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340478327 1021098984 /nfs/dbraw/zinc/09/89/84/1021098984.db2.gz IXEKSDIOGODYNL-JKSUJKDBSA-N 1 3 327.447 4.097 20 0 EIADHO Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000683691513 1021099290 /nfs/dbraw/zinc/09/92/90/1021099290.db2.gz YNVFDSFOHIZERQ-ZIBCJSCZSA-N 1 3 335.495 4.236 20 0 EIADHO CN(C)C1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000685833980 1021649090 /nfs/dbraw/zinc/64/90/90/1021649090.db2.gz DAWAHRZGEBYRCT-UHFFFAOYSA-N 1 3 336.523 4.114 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3ccc(OC)cc32)cc1 ZINC000173228507 1021872941 /nfs/dbraw/zinc/87/29/41/1021872941.db2.gz JQMGIHIHUPKGPJ-JOCHJYFZSA-N 1 3 338.495 4.314 20 0 EIADHO CCCC[N@H+](C)CC1CCN(CCSc2ccccc2F)CC1 ZINC000613491538 1022163849 /nfs/dbraw/zinc/16/38/49/1022163849.db2.gz WSJQQRUSTCNLOS-UHFFFAOYSA-N 1 3 338.536 4.362 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(CCSc2ccccc2F)CC1 ZINC000613491538 1022163855 /nfs/dbraw/zinc/16/38/55/1022163855.db2.gz WSJQQRUSTCNLOS-UHFFFAOYSA-N 1 3 338.536 4.362 20 0 EIADHO C[C@H]([NH2+]CCc1c(F)cccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000402101120 1022800443 /nfs/dbraw/zinc/80/04/43/1022800443.db2.gz VGCRZWLMUXDAJU-FUHWJXTLSA-N 1 3 344.449 4.008 20 0 EIADHO Fc1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCC4)CC3)CCO2)cc1 ZINC000363863324 1022867040 /nfs/dbraw/zinc/86/70/40/1022867040.db2.gz KMJMBPYEJWDPPE-TZIWHRDSSA-N 1 3 346.490 4.042 20 0 EIADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000423498000 1022931024 /nfs/dbraw/zinc/93/10/24/1022931024.db2.gz AVVDITJPSCFLFJ-KRLXULGHSA-N 1 3 340.433 4.089 20 0 EIADHO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165313484 1023029047 /nfs/dbraw/zinc/02/90/47/1023029047.db2.gz PINRHQNEEJFJCZ-PKOBYXMFSA-N 1 3 334.573 4.061 20 0 EIADHO CC(C)N1CCC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000236602663 1023105581 /nfs/dbraw/zinc/10/55/81/1023105581.db2.gz RQCRUQQNRQXPBK-UHFFFAOYSA-N 1 3 338.495 4.228 20 0 EIADHO CC[C@@H](c1ccc(Br)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000472647264 1023307049 /nfs/dbraw/zinc/30/70/49/1023307049.db2.gz FELSKLHJLFWBJS-KRWDZBQOSA-N 1 3 339.321 4.174 20 0 EIADHO CC(C)c1ccc(-c2ncc(CN3CCC(C[NH3+])CC3)s2)cc1 ZINC000430611627 1023364624 /nfs/dbraw/zinc/36/46/24/1023364624.db2.gz PBVICKUAVOYQAO-UHFFFAOYSA-N 1 3 329.513 4.104 20 0 EIADHO Cc1ccc(-c2ncc(CN[C@@H](CCC[NH3+])c3ccccc3)s2)o1 ZINC000415044755 1023409910 /nfs/dbraw/zinc/40/99/10/1023409910.db2.gz BCMPDNRTZDOLJV-KRWDZBQOSA-N 1 3 341.480 4.281 20 0 EIADHO [NH3+]CCC[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000415051934 1023409945 /nfs/dbraw/zinc/40/99/45/1023409945.db2.gz KAMDGTOEIAUECW-QGZVFWFLSA-N 1 3 340.364 4.414 20 0 EIADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](N)CC(C)C)s2)cc1 ZINC000415096617 1023440384 /nfs/dbraw/zinc/44/03/84/1023440384.db2.gz BTOWOFXXGQXBIL-CZUORRHYSA-N 1 3 347.528 4.151 20 0 EIADHO COc1ccc([C@@H](NC2CCC([NH3+])CC2)c2ccccc2Cl)cc1 ZINC000415090862 1023442374 /nfs/dbraw/zinc/44/23/74/1023442374.db2.gz PLXQHZZMZDKZNL-ALLBUHFWSA-N 1 3 344.886 4.298 20 0 EIADHO c1sc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1-c1ccccc1 ZINC000656784829 1023531849 /nfs/dbraw/zinc/53/18/49/1023531849.db2.gz HSQOAODBBXUUGG-GOSISDBHSA-N 1 3 341.524 4.022 20 0 EIADHO CCCN1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000236778881 1023678695 /nfs/dbraw/zinc/67/86/95/1023678695.db2.gz GLPJJCVTDVIAHW-UHFFFAOYSA-N 1 3 334.813 4.323 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1 ZINC000398097549 1023683144 /nfs/dbraw/zinc/68/31/44/1023683144.db2.gz KWUSLTALRXMGNE-OXJNMPFZSA-N 1 3 328.887 4.340 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(Cl)cc1 ZINC000398097549 1023683154 /nfs/dbraw/zinc/68/31/54/1023683154.db2.gz KWUSLTALRXMGNE-OXJNMPFZSA-N 1 3 328.887 4.340 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510699550 1024252678 /nfs/dbraw/zinc/25/26/78/1024252678.db2.gz BZSMHBUQTFDQRG-DOTOQJQBSA-N 1 3 342.449 4.348 20 0 EIADHO C[NH+](C)CCOc1ccc(CN[C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000162501084 1025146174 /nfs/dbraw/zinc/14/61/74/1025146174.db2.gz QPDIOKXXGDCXGC-IBGZPJMESA-N 1 3 342.483 4.023 20 0 EIADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467332 1025397477 /nfs/dbraw/zinc/39/74/77/1025397477.db2.gz DWCAFYHQDXYNPX-AEFFLSMTSA-N 1 3 332.557 4.051 20 0 EIADHO C[C@@H](CCCC[NH3+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000415006885 1025487085 /nfs/dbraw/zinc/48/70/85/1025487085.db2.gz AQOCIQHWVKGXGN-DOTOQJQBSA-N 1 3 343.540 4.023 20 0 EIADHO C[C@H](CCCC[NH3+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000415006897 1025490477 /nfs/dbraw/zinc/49/04/77/1025490477.db2.gz AQOCIQHWVKGXGN-WBVHZDCISA-N 1 3 343.540 4.023 20 0 EIADHO Cc1ccc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000657285347 1025619513 /nfs/dbraw/zinc/61/95/13/1025619513.db2.gz DNTIGFDPOLOREH-UHFFFAOYSA-N 1 3 333.479 4.231 20 0 EIADHO CC[NH+](CC)CCC[C@@H](C)N1CCSC[C@H]1c1ccc(F)cc1 ZINC001167833327 1025789766 /nfs/dbraw/zinc/78/97/66/1025789766.db2.gz AFRDRCNGTCXCIM-APWZRJJASA-N 1 3 338.536 4.426 20 0 EIADHO CCC[C@H](C(=O)c1ccccc1)N(C)[C@@H](C)CCC[NH+](CC)CC ZINC001167835290 1025836889 /nfs/dbraw/zinc/83/68/89/1025836889.db2.gz RBOJGSXQGMSUTF-AZUAARDMSA-N 1 3 332.532 4.480 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Cl)ccc1Cl ZINC000432412826 1025881238 /nfs/dbraw/zinc/88/12/38/1025881238.db2.gz DFSVODUAQGEHCK-KGLIPLIRSA-N 1 3 345.314 4.145 20 0 EIADHO C[C@@H]1C[N@H+](CCCN[C@@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420123 1025898153 /nfs/dbraw/zinc/89/81/53/1025898153.db2.gz IYVIVNZMTWAMQW-DYESRHJHSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@@H]1C[N@@H+](CCCN[C@@H](c2ccccc2F)C2CCCC2)CCCO1 ZINC000432420123 1025898157 /nfs/dbraw/zinc/89/81/57/1025898157.db2.gz IYVIVNZMTWAMQW-DYESRHJHSA-N 1 3 348.506 4.148 20 0 EIADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cc2ccccc2o1 ZINC000048683745 1026155072 /nfs/dbraw/zinc/15/50/72/1026155072.db2.gz OXMZUQQQGQNUNW-INIZCTEOSA-N 1 3 338.451 4.224 20 0 EIADHO CC(C)(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000344295252 1026221797 /nfs/dbraw/zinc/22/17/97/1026221797.db2.gz JKKHEQLYUAXKCV-PWRODBHTSA-N 1 3 344.543 4.131 20 0 EIADHO C[N@H+]1CC=C(CN[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000344307603 1026230019 /nfs/dbraw/zinc/23/00/19/1026230019.db2.gz XEZLEJIGMYBFIN-OAHLLOKOSA-N 1 3 341.282 4.059 20 0 EIADHO C[N@@H+]1CC=C(CN[C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000344307603 1026230029 /nfs/dbraw/zinc/23/00/29/1026230029.db2.gz XEZLEJIGMYBFIN-OAHLLOKOSA-N 1 3 341.282 4.059 20 0 EIADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc2cc(Br)ccc2o1 ZINC000049553335 1026297164 /nfs/dbraw/zinc/29/71/64/1026297164.db2.gz AKTJXCCZSDTAAT-NWDGAFQWSA-N 1 3 339.277 4.186 20 0 EIADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000049553334 1026299035 /nfs/dbraw/zinc/29/90/35/1026299035.db2.gz AKTJXCCZSDTAAT-NEPJUHHUSA-N 1 3 339.277 4.186 20 0 EIADHO Fc1ccccc1CC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167979096 1026343143 /nfs/dbraw/zinc/34/31/43/1026343143.db2.gz VDCSLBORHDBWRV-IHWFROFDSA-N 1 3 342.502 4.143 20 0 EIADHO Fc1ccccc1CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167979096 1026343157 /nfs/dbraw/zinc/34/31/57/1026343157.db2.gz VDCSLBORHDBWRV-IHWFROFDSA-N 1 3 342.502 4.143 20 0 EIADHO COc1ccccc1CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167979045 1026348562 /nfs/dbraw/zinc/34/85/62/1026348562.db2.gz TXFCKZJHFVCVKN-IHWFROFDSA-N 1 3 342.527 4.011 20 0 EIADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H](C)c2cccs2)CC1 ZINC000507440095 1026794840 /nfs/dbraw/zinc/79/48/40/1026794840.db2.gz HEBNQILQBPJIHC-QGZVFWFLSA-N 1 3 343.540 4.083 20 0 EIADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H](C)c2cccs2)CC1 ZINC000507440095 1026794855 /nfs/dbraw/zinc/79/48/55/1026794855.db2.gz HEBNQILQBPJIHC-QGZVFWFLSA-N 1 3 343.540 4.083 20 0 EIADHO Cc1ccccc1SC[C@H](C)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001167599047 1026943849 /nfs/dbraw/zinc/94/38/49/1026943849.db2.gz NWSPWVTUTKYFDW-YLJYHZDGSA-N 1 3 346.584 4.387 20 0 EIADHO Cc1ccccc1SC[C@H](C)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001167599047 1026943856 /nfs/dbraw/zinc/94/38/56/1026943856.db2.gz NWSPWVTUTKYFDW-YLJYHZDGSA-N 1 3 346.584 4.387 20 0 EIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1OC ZINC000474476296 1027107474 /nfs/dbraw/zinc/10/74/74/1027107474.db2.gz WXGBPMYDZGKMPK-KSZLIROESA-N 1 3 348.531 4.050 20 0 EIADHO Cc1oc2ccccc2c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613196 1027288326 /nfs/dbraw/zinc/28/83/26/1027288326.db2.gz HZTGKTMPLFYJNU-UHFFFAOYSA-N 1 3 349.478 4.138 20 0 EIADHO c1ccc([C@@H]2CC[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000657613549 1027290240 /nfs/dbraw/zinc/29/02/40/1027290240.db2.gz NJJPKECTHKHIBF-PKTZIBPZSA-N 1 3 349.522 4.220 20 0 EIADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC000474628560 1027337703 /nfs/dbraw/zinc/33/77/03/1027337703.db2.gz LBXKIXAXRKKFOX-ZQDZILKHSA-N 1 3 326.937 4.215 20 0 EIADHO C[C@@H]1CC(N2CCC(F)(F)[C@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041208 1027433930 /nfs/dbraw/zinc/43/39/30/1027433930.db2.gz QZIAUKFOONSEBV-BRWVUGGUSA-N 1 3 336.470 4.405 20 0 EIADHO CC(C)OC1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000090772056 1027582704 /nfs/dbraw/zinc/58/27/04/1027582704.db2.gz YHNWNNLOVFKNPK-OMZYAQQMSA-N 1 3 336.564 4.355 20 0 EIADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000152452680 1027596267 /nfs/dbraw/zinc/59/62/67/1027596267.db2.gz KVIRHUJTDJHUEY-IGCXYCKISA-N 1 3 349.316 4.071 20 0 EIADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000152452680 1027596288 /nfs/dbraw/zinc/59/62/88/1027596288.db2.gz KVIRHUJTDJHUEY-IGCXYCKISA-N 1 3 349.316 4.071 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280963619 1028311211 /nfs/dbraw/zinc/31/12/11/1028311211.db2.gz ZGTUYTMNSFGFMK-DKIMLUQUSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280963619 1028311226 /nfs/dbraw/zinc/31/12/26/1028311226.db2.gz ZGTUYTMNSFGFMK-DKIMLUQUSA-N 1 3 338.417 4.168 20 0 EIADHO C[NH+](C)CC[C@@H](NCc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC000523864752 1028435604 /nfs/dbraw/zinc/43/56/04/1028435604.db2.gz ZNGKYKZFBJOMQC-OAHLLOKOSA-N 1 3 332.410 4.041 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000281354957 1028536672 /nfs/dbraw/zinc/53/66/72/1028536672.db2.gz VSDKJIDMZGUIMM-OAQYLSRUSA-N 1 3 341.474 4.303 20 0 EIADHO Cc1ccc([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1F ZINC000168509415 1029487989 /nfs/dbraw/zinc/48/79/89/1029487989.db2.gz LKQMIDIMABTCPU-IAGOWNOFSA-N 1 3 344.474 4.486 20 0 EIADHO C[C@H](CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)OCc1ccccc1 ZINC000475313367 1029524885 /nfs/dbraw/zinc/52/48/85/1029524885.db2.gz PDYWFZLWAWGFBN-SBHAEUEKSA-N 1 3 344.543 4.224 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000584140661 1029640441 /nfs/dbraw/zinc/64/04/41/1029640441.db2.gz SBADXBSZNSHYNR-UTKZUKDTSA-N 1 3 338.495 4.134 20 0 EIADHO COc1ccccc1-c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000584140661 1029640444 /nfs/dbraw/zinc/64/04/44/1029640444.db2.gz SBADXBSZNSHYNR-UTKZUKDTSA-N 1 3 338.495 4.134 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(C2CC2)c1 ZINC000708502465 1029744156 /nfs/dbraw/zinc/74/41/56/1029744156.db2.gz HNSCXKKPRRKWIP-FDDCHVKYSA-N 1 3 334.507 4.422 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(C2CC2)c1 ZINC000708502465 1029744163 /nfs/dbraw/zinc/74/41/63/1029744163.db2.gz HNSCXKKPRRKWIP-FDDCHVKYSA-N 1 3 334.507 4.422 20 0 EIADHO C[N@@H+]1CC[C@H](CNC/C=C/c2ccc(F)c(F)c2)[C@@H]1c1cccs1 ZINC000375751956 1029859574 /nfs/dbraw/zinc/85/95/74/1029859574.db2.gz YWUBBPJFJMGRDR-OSLWLWRUSA-N 1 3 348.462 4.322 20 0 EIADHO C[N@H+]1CC[C@H](CNC/C=C/c2ccc(F)c(F)c2)[C@@H]1c1cccs1 ZINC000375751956 1029859580 /nfs/dbraw/zinc/85/95/80/1029859580.db2.gz YWUBBPJFJMGRDR-OSLWLWRUSA-N 1 3 348.462 4.322 20 0 EIADHO C[N@@H+]1CC[C@H](CNCc2ccc3occc3c2)[C@H]1c1cccs1 ZINC000375751889 1029864685 /nfs/dbraw/zinc/86/46/85/1029864685.db2.gz YBYZZMBGUXNQDJ-APWZRJJASA-N 1 3 326.465 4.277 20 0 EIADHO C[N@H+]1CC[C@H](CNCc2ccc3occc3c2)[C@H]1c1cccs1 ZINC000375751889 1029864689 /nfs/dbraw/zinc/86/46/89/1029864689.db2.gz YBYZZMBGUXNQDJ-APWZRJJASA-N 1 3 326.465 4.277 20 0 EIADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000685455207 1030339021 /nfs/dbraw/zinc/33/90/21/1030339021.db2.gz JCNOLGUBXHZBKJ-CABCVRRESA-N 1 3 328.422 4.129 20 0 EIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C)c(OC)c2)cc1 ZINC000447854363 1030382357 /nfs/dbraw/zinc/38/23/57/1030382357.db2.gz LJGQBCRATUUQOT-UHFFFAOYSA-N 1 3 326.484 4.135 20 0 EIADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708566639 1030386387 /nfs/dbraw/zinc/38/63/87/1030386387.db2.gz RHWMYNHBYYZAGA-OPYAIIAOSA-N 1 3 340.486 4.114 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)c1O ZINC000398182644 1030734231 /nfs/dbraw/zinc/73/42/31/1030734231.db2.gz KKMMTTGOQHOVJI-WIYYLYMNSA-N 1 3 338.495 4.009 20 0 EIADHO Cc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)c1O ZINC000398182644 1030734249 /nfs/dbraw/zinc/73/42/49/1030734249.db2.gz KKMMTTGOQHOVJI-WIYYLYMNSA-N 1 3 338.495 4.009 20 0 EIADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc3cc[nH]c3c2)CC1 ZINC000527659567 1030814139 /nfs/dbraw/zinc/81/41/39/1030814139.db2.gz BBJBHVOIVOUCRM-QGZVFWFLSA-N 1 3 333.479 4.483 20 0 EIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(C)cc1 ZINC000658166873 1030862091 /nfs/dbraw/zinc/86/20/91/1030862091.db2.gz QJKYHQZQQQYOLX-QFIPXVFZSA-N 1 3 337.511 4.343 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000658166795 1030862288 /nfs/dbraw/zinc/86/22/88/1030862288.db2.gz OZLOIYJLXRBMRR-QGZVFWFLSA-N 1 3 349.478 4.391 20 0 EIADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658168783 1030864248 /nfs/dbraw/zinc/86/42/48/1030864248.db2.gz YSOOTCPXIWSFSZ-XZOQPEGZSA-N 1 3 349.522 4.220 20 0 EIADHO c1ccc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658166175 1030865006 /nfs/dbraw/zinc/86/50/06/1030865006.db2.gz MXIKIOUEBWXYDM-JOCHJYFZSA-N 1 3 335.495 4.035 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)ccc1OC ZINC000527930120 1030973034 /nfs/dbraw/zinc/97/30/34/1030973034.db2.gz PVHNLVVAKDDYHW-MSOLQXFVSA-N 1 3 348.531 4.004 20 0 EIADHO Cc1cncc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000658320183 1030982414 /nfs/dbraw/zinc/98/24/14/1030982414.db2.gz PLRQHZYWPSYAOD-UGKGYDQZSA-N 1 3 349.522 4.343 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCN1CCCC1 ZINC000532453929 1031092404 /nfs/dbraw/zinc/09/24/04/1031092404.db2.gz XWHAWQGAGSAYOU-AWEZNQCLSA-N 1 3 347.503 4.394 20 0 EIADHO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C ZINC000532469187 1031147147 /nfs/dbraw/zinc/14/71/47/1031147147.db2.gz MPCNBZGDBIKGNO-RXVVDRJESA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C ZINC000532469187 1031147169 /nfs/dbraw/zinc/14/71/69/1031147169.db2.gz MPCNBZGDBIKGNO-RXVVDRJESA-N 1 3 338.495 4.004 20 0 EIADHO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000171126891 1031187117 /nfs/dbraw/zinc/18/71/17/1031187117.db2.gz ZOGLPBXZPBLDCH-INIZCTEOSA-N 1 3 330.447 4.007 20 0 EIADHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1OC ZINC000123986859 1031495040 /nfs/dbraw/zinc/49/50/40/1031495040.db2.gz KFXJFLMNMKGIPM-HXUWFJFHSA-N 1 3 326.484 4.388 20 0 EIADHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1OC ZINC000123986859 1031495054 /nfs/dbraw/zinc/49/50/54/1031495054.db2.gz KFXJFLMNMKGIPM-HXUWFJFHSA-N 1 3 326.484 4.388 20 0 EIADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449211846 1031537872 /nfs/dbraw/zinc/53/78/72/1031537872.db2.gz SDJPSPAUVODCQJ-LWEYNCJUSA-N 1 3 336.564 4.214 20 0 EIADHO CCC1(CNCc2ncc(C)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000449216731 1031551498 /nfs/dbraw/zinc/55/14/98/1031551498.db2.gz UVJJBRDXISDVDO-UHFFFAOYSA-N 1 3 343.540 4.234 20 0 EIADHO CC[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000453107351 1031597753 /nfs/dbraw/zinc/59/77/53/1031597753.db2.gz ISRYOSHMSKEHOX-HXUWFJFHSA-N 1 3 344.524 4.464 20 0 EIADHO C[C@@H](CCCc1cccnc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000453121903 1031615165 /nfs/dbraw/zinc/61/51/65/1031615165.db2.gz DJFLALDBKIWIFR-SFHVURJKSA-N 1 3 329.532 4.180 20 0 EIADHO Cc1cc([C@@H](C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cs1 ZINC000453124044 1031618239 /nfs/dbraw/zinc/61/82/39/1031618239.db2.gz ZFJAREJCGJAIRW-QGZVFWFLSA-N 1 3 344.524 4.382 20 0 EIADHO C1CCC(N2CCC([NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)CC1 ZINC000127370635 1031688543 /nfs/dbraw/zinc/68/85/43/1031688543.db2.gz VXTUOKZDZKSZBV-LJQANCHMSA-N 1 3 334.548 4.255 20 0 EIADHO CC[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000453211167 1031728143 /nfs/dbraw/zinc/72/81/43/1031728143.db2.gz NDDSJBDKXUPHAK-FQEVSTJZSA-N 1 3 344.524 4.462 20 0 EIADHO CC[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234219 1031756095 /nfs/dbraw/zinc/75/60/95/1031756095.db2.gz ZQBOSQKDUWOVQR-RTWAWAEBSA-N 1 3 337.511 4.423 20 0 EIADHO CC[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234219 1031756101 /nfs/dbraw/zinc/75/61/01/1031756101.db2.gz ZQBOSQKDUWOVQR-RTWAWAEBSA-N 1 3 337.511 4.423 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000531958970 1031878152 /nfs/dbraw/zinc/87/81/52/1031878152.db2.gz HCMKGAVIKAHKPO-GJZGRUSLSA-N 1 3 328.422 4.476 20 0 EIADHO Cc1nc(-c2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cs2)cs1 ZINC000453376730 1031925996 /nfs/dbraw/zinc/92/59/96/1031925996.db2.gz YUNBTWOOYHQXAZ-GVZPALNKSA-N 1 3 347.553 4.456 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(NCc2cc(C)c(O)c(C)c2)CC1 ZINC000512815890 1034007091 /nfs/dbraw/zinc/00/70/91/1034007091.db2.gz ODAWACUNXAQUFA-UHFFFAOYSA-N 1 3 338.495 4.072 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000333303409 1034627499 /nfs/dbraw/zinc/62/74/99/1034627499.db2.gz QLCMFRXPUSOVPY-DVOMOZLQSA-N 1 3 345.487 4.186 20 0 EIADHO CN(Cc1ccc(F)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501083472 1035374662 /nfs/dbraw/zinc/37/46/62/1035374662.db2.gz UJOWHNRIDYIIRS-UHFFFAOYSA-N 1 3 347.865 4.223 20 0 EIADHO CCc1cc(OC)ccc1CNCc1ccccc1C[NH+](CC)CC ZINC000501379034 1035433294 /nfs/dbraw/zinc/43/32/94/1035433294.db2.gz ZRBWUEXGRPSRMD-UHFFFAOYSA-N 1 3 340.511 4.389 20 0 EIADHO CCc1cc(OC)ccc1CNCc1cccc(C[NH+](CC)CC)c1 ZINC000501377248 1035433413 /nfs/dbraw/zinc/43/34/13/1035433413.db2.gz JZPXBDYKOSVWIM-UHFFFAOYSA-N 1 3 340.511 4.389 20 0 EIADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000501419518 1035441425 /nfs/dbraw/zinc/44/14/25/1035441425.db2.gz GZYHKHYRHXXEET-YVGNARHYSA-N 1 3 326.406 4.040 20 0 EIADHO CC[N@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC000501419518 1035441433 /nfs/dbraw/zinc/44/14/33/1035441433.db2.gz GZYHKHYRHXXEET-YVGNARHYSA-N 1 3 326.406 4.040 20 0 EIADHO Brc1ccc([C@H]2CCCN2CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420372163 1035557378 /nfs/dbraw/zinc/55/73/78/1035557378.db2.gz LGSBFONKUOMVFO-QWHCGFSZSA-N 1 3 343.334 4.037 20 0 EIADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CC3 ZINC000491043098 1035792147 /nfs/dbraw/zinc/79/21/47/1035792147.db2.gz YZIYFYSDOWEDAL-QZTJIDSGSA-N 1 3 339.527 4.044 20 0 EIADHO Clc1cccc(Cl)c1CCC[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993797 1035826254 /nfs/dbraw/zinc/82/62/54/1035826254.db2.gz KBTTVXHZTZVTAU-ZDUSSCGKSA-N 1 3 327.299 4.190 20 0 EIADHO CCCCOc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1OC ZINC000571682778 1036120458 /nfs/dbraw/zinc/12/04/58/1036120458.db2.gz WKQJLLKKCVYEAL-MRXNPFEDSA-N 1 3 342.483 4.184 20 0 EIADHO C[NH+](C)CCCOc1ccc(CNCc2cccc(C3CC3)c2)cc1 ZINC000421321908 1036271529 /nfs/dbraw/zinc/27/15/29/1036271529.db2.gz FENLTVVPBKTQAX-UHFFFAOYSA-N 1 3 338.495 4.184 20 0 EIADHO C[C@@H](NCc1ccc(-c2cnco2)cc1)c1cccc(C[NH+](C)C)c1 ZINC000906523926 1036313827 /nfs/dbraw/zinc/31/38/27/1036313827.db2.gz AHDFCXSYUZFZDZ-MRXNPFEDSA-N 1 3 335.451 4.254 20 0 EIADHO Fc1ccc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000486704838 1036821761 /nfs/dbraw/zinc/82/17/61/1036821761.db2.gz BSPGGGUNPIUPJE-UHFFFAOYSA-N 1 3 337.442 4.061 20 0 EIADHO CC(C)[NH+]1CCC(N(C)CCCOc2ccc3ccccc3c2)CC1 ZINC000590058426 1036965191 /nfs/dbraw/zinc/96/51/91/1036965191.db2.gz GMLUGZPZJVQXKU-UHFFFAOYSA-N 1 3 340.511 4.413 20 0 EIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271842544 1037030482 /nfs/dbraw/zinc/03/04/82/1037030482.db2.gz HCSFFYORJQOBNA-CQSZACIVSA-N 1 3 327.497 4.031 20 0 EIADHO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000604757453 1037529302 /nfs/dbraw/zinc/52/93/02/1037529302.db2.gz FJLXEQVKYODRRL-KRWDZBQOSA-N 1 3 331.463 4.294 20 0 EIADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC000414652228 1037676512 /nfs/dbraw/zinc/67/65/12/1037676512.db2.gz GRXVTSFACPKPTG-LBPRGKRZSA-N 1 3 340.414 4.215 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422732594 1037809206 /nfs/dbraw/zinc/80/92/06/1037809206.db2.gz PZKCXXSTIQXKKV-GFCCVEGCSA-N 1 3 349.881 4.270 20 0 EIADHO CCSc1ccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422722896 1037815733 /nfs/dbraw/zinc/81/57/33/1037815733.db2.gz ZBXFOQKZDPZQGZ-UONOGXRCSA-N 1 3 329.513 4.373 20 0 EIADHO c1ccc([C@H]2C[C@@H](NCc3ccc(-c4ccncc4)cc3)CC[NH2+]2)cc1 ZINC000422773192 1037830777 /nfs/dbraw/zinc/83/07/77/1037830777.db2.gz TXUVACJESDDCPT-XZOQPEGZSA-N 1 3 343.474 4.332 20 0 EIADHO c1csc([C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)c1 ZINC000422796661 1037836653 /nfs/dbraw/zinc/83/66/53/1037836653.db2.gz KCJYFCAMMFELOX-DBVUQKKJSA-N 1 3 340.492 4.045 20 0 EIADHO Cc1cc([C@H](C)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)s1 ZINC000422808550 1037838013 /nfs/dbraw/zinc/83/80/13/1037838013.db2.gz OJLLKCGUGLPRQZ-BOUXLOLZSA-N 1 3 342.508 4.271 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422814976 1037840019 /nfs/dbraw/zinc/84/00/19/1037840019.db2.gz WSFMKLDNQPTGHX-HZPDHXFCSA-N 1 3 346.478 4.323 20 0 EIADHO Cc1ccc([C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422813359 1037840245 /nfs/dbraw/zinc/84/02/45/1037840245.db2.gz RQWYTOFKZCESFC-ACIOBRDBSA-N 1 3 348.490 4.292 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422822165 1037841801 /nfs/dbraw/zinc/84/18/01/1037841801.db2.gz JHUFPURRIJTGDW-ZDUSSCGKSA-N 1 3 331.891 4.131 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422845859 1037850664 /nfs/dbraw/zinc/85/06/64/1037850664.db2.gz OXBJBLBVLNDXTA-OAHLLOKOSA-N 1 3 325.500 4.040 20 0 EIADHO Cc1cc([C@H](C)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422921446 1037867898 /nfs/dbraw/zinc/86/78/98/1037867898.db2.gz PUVDPGSUIITNAQ-PAXLWEDBSA-N 1 3 340.442 4.041 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422942935 1037877456 /nfs/dbraw/zinc/87/74/56/1037877456.db2.gz XESSXWQFMVIWBZ-AWEZNQCLSA-N 1 3 347.890 4.012 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21 ZINC000423010955 1037898749 /nfs/dbraw/zinc/89/87/49/1037898749.db2.gz AKOCLTYNVPBLKT-WBVHZDCISA-N 1 3 337.511 4.355 20 0 EIADHO Cc1cc([C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C2CC2)ccc1F ZINC000423015955 1037902947 /nfs/dbraw/zinc/90/29/47/1037902947.db2.gz RXHUBUWRLAXTHD-JLTOFOAXSA-N 1 3 327.447 4.098 20 0 EIADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000423052951 1037938001 /nfs/dbraw/zinc/93/80/01/1037938001.db2.gz RNPRFTVWFAFHQR-FDFHNCONSA-N 1 3 335.495 4.149 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423053861 1037942548 /nfs/dbraw/zinc/94/25/48/1037942548.db2.gz BDXMTFATCAZZOL-GXTWGEPZSA-N 1 3 325.481 4.475 20 0 EIADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423126483 1037971967 /nfs/dbraw/zinc/97/19/67/1037971967.db2.gz IVPJBMLHGHSKPK-TWOQFEAHSA-N 1 3 346.902 4.313 20 0 EIADHO C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000423112408 1037990217 /nfs/dbraw/zinc/99/02/17/1037990217.db2.gz XNDUENAGSNDHIM-MJEQTWJJSA-N 1 3 326.406 4.134 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423151873 1038004124 /nfs/dbraw/zinc/00/41/24/1038004124.db2.gz DDDOATGKNCHODG-WWGRRREGSA-N 1 3 329.410 4.011 20 0 EIADHO CC(C)Sc1ccc([C@H](C)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000423181038 1038033828 /nfs/dbraw/zinc/03/38/28/1038033828.db2.gz CAQPIFNIWLLHFS-KRWDZBQOSA-N 1 3 343.540 4.413 20 0 EIADHO C[C@H]([NH2+]CC1(N)CCCCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000423200051 1038052048 /nfs/dbraw/zinc/05/20/48/1038052048.db2.gz LNUVJOQKRRCOJX-GJZGRUSLSA-N 1 3 331.529 4.430 20 0 EIADHO C[C@H]([NH3+])CCN[C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423224191 1038067909 /nfs/dbraw/zinc/06/79/09/1038067909.db2.gz IMNGNJROCHVBNM-FZMZJTMJSA-N 1 3 335.904 4.168 20 0 EIADHO COc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423250941 1038081714 /nfs/dbraw/zinc/08/17/14/1038081714.db2.gz RFVGDDFBRUHGGO-QRWLVFNGSA-N 1 3 344.886 4.027 20 0 EIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000423291257 1038096304 /nfs/dbraw/zinc/09/63/04/1038096304.db2.gz HNJXBVDDVOFYND-ACJLOTCBSA-N 1 3 330.859 4.363 20 0 EIADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCS2 ZINC000423291666 1038097407 /nfs/dbraw/zinc/09/74/07/1038097407.db2.gz JIERSUAHDIZLHN-ACJLOTCBSA-N 1 3 328.481 4.042 20 0 EIADHO Cc1nc(-c2cc([C@H](C)N[C@@H]3CCCC[C@H]3C[NH3+])cs2)cs1 ZINC000423273771 1038101148 /nfs/dbraw/zinc/10/11/48/1038101148.db2.gz JIVDAJPVLUZTRN-CORIIIEPSA-N 1 3 335.542 4.348 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000467312504 1038148266 /nfs/dbraw/zinc/14/82/66/1038148266.db2.gz FUWZWUMYNRSPNV-XUVXKRRUSA-N 1 3 329.532 4.270 20 0 EIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(Br)c1 ZINC000423363638 1038180529 /nfs/dbraw/zinc/18/05/29/1038180529.db2.gz USAWIJCIVIHUFP-NSHDSACASA-N 1 3 349.247 4.042 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423368912 1038186669 /nfs/dbraw/zinc/18/66/69/1038186669.db2.gz DMNIISVCNWNTLY-YUTCNCBUSA-N 1 3 333.476 4.178 20 0 EIADHO COc1ccc(-c2nc(C)c([C@H](C)N[C@@H]3CCC[C@@H]([NH3+])C3)s2)cc1 ZINC000423370194 1038189133 /nfs/dbraw/zinc/18/91/33/1038189133.db2.gz FHXMZZHHMOTRTQ-APHBMKBZSA-N 1 3 345.512 4.048 20 0 EIADHO C[C@@H](CCCc1cccnc1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423395184 1038202647 /nfs/dbraw/zinc/20/26/47/1038202647.db2.gz NGESZXGOKITFQF-HTAPYJJXSA-N 1 3 333.479 4.236 20 0 EIADHO CC(C)c1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCCO2 ZINC000423399738 1038205092 /nfs/dbraw/zinc/20/50/92/1038205092.db2.gz UWVDNYFTSJXMSZ-OAQYLSRUSA-N 1 3 336.479 4.417 20 0 EIADHO Cc1ccsc1[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423468991 1038244594 /nfs/dbraw/zinc/24/45/94/1038244594.db2.gz KDHYNGJLUCGMKK-QILLFSRXSA-N 1 3 332.488 4.240 20 0 EIADHO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423468991 1038244604 /nfs/dbraw/zinc/24/46/04/1038244604.db2.gz KDHYNGJLUCGMKK-QILLFSRXSA-N 1 3 332.488 4.240 20 0 EIADHO CC[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000423480367 1038252353 /nfs/dbraw/zinc/25/23/53/1038252353.db2.gz VVCVEJWMHIYKMJ-CGTJXYLNSA-N 1 3 332.488 4.321 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000423480367 1038252363 /nfs/dbraw/zinc/25/23/63/1038252363.db2.gz VVCVEJWMHIYKMJ-CGTJXYLNSA-N 1 3 332.488 4.321 20 0 EIADHO c1c2ccccc2oc1[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423491000 1038265034 /nfs/dbraw/zinc/26/50/34/1038265034.db2.gz YLLOWEYSGOLUGW-GHTZIAJQSA-N 1 3 335.451 4.039 20 0 EIADHO Cc1ccoc1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000608056524 1038529389 /nfs/dbraw/zinc/52/93/89/1038529389.db2.gz VRCTYXQIMMCGTK-UHFFFAOYSA-N 1 3 332.875 4.243 20 0 EIADHO C[C@H](C[NH2+][C@@H](Cc1ccncc1)c1cccs1)CN1CCCCC1 ZINC000424274429 1038780176 /nfs/dbraw/zinc/78/01/76/1038780176.db2.gz YWRZGXKYYUYJQQ-MJGOQNOKSA-N 1 3 343.540 4.139 20 0 EIADHO COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000539062447 1038807448 /nfs/dbraw/zinc/80/74/48/1038807448.db2.gz YYHSKXHOXIWKKN-PGRDOPGGSA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000539062447 1038807452 /nfs/dbraw/zinc/80/74/52/1038807452.db2.gz YYHSKXHOXIWKKN-PGRDOPGGSA-N 1 3 338.495 4.004 20 0 EIADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000608510636 1038842299 /nfs/dbraw/zinc/84/22/99/1038842299.db2.gz YOJSUVALRGUGLD-IBGZPJMESA-N 1 3 328.525 4.319 20 0 EIADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(C)s1 ZINC000608510636 1038842301 /nfs/dbraw/zinc/84/23/01/1038842301.db2.gz YOJSUVALRGUGLD-IBGZPJMESA-N 1 3 328.525 4.319 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539160619 1038863440 /nfs/dbraw/zinc/86/34/40/1038863440.db2.gz QKFXDEDQGIWJGV-DYVFJYSZSA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@@H+]1CC[C@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539160619 1038863444 /nfs/dbraw/zinc/86/34/44/1038863444.db2.gz QKFXDEDQGIWJGV-DYVFJYSZSA-N 1 3 326.406 4.088 20 0 EIADHO CC[N@H+]1CC[C@H](CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000539160619 1038863446 /nfs/dbraw/zinc/86/34/46/1038863446.db2.gz QKFXDEDQGIWJGV-DYVFJYSZSA-N 1 3 326.406 4.088 20 0 EIADHO c1ccc(CCOCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000480898599 1038866580 /nfs/dbraw/zinc/86/65/80/1038866580.db2.gz NDUJOSYWJUEOLD-UHFFFAOYSA-N 1 3 344.543 4.023 20 0 EIADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2ccc(Br)cc2)C1 ZINC000481027710 1038966854 /nfs/dbraw/zinc/96/68/54/1038966854.db2.gz WRTCKLVHDILORN-RHSMWYFYSA-N 1 3 339.321 4.222 20 0 EIADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2ccc(Br)cc2)C1 ZINC000481027710 1038966888 /nfs/dbraw/zinc/96/68/88/1038966888.db2.gz WRTCKLVHDILORN-RHSMWYFYSA-N 1 3 339.321 4.222 20 0 EIADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)C1 ZINC000539377632 1039035168 /nfs/dbraw/zinc/03/51/68/1039035168.db2.gz SZXSLKAHBDHRKG-HBFSDRIKSA-N 1 3 342.527 4.391 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCc2c1cccc2F ZINC000513863838 1039327659 /nfs/dbraw/zinc/32/76/59/1039327659.db2.gz MSJYBGFNYCEWLY-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCc2c1cccc2F ZINC000513863838 1039327672 /nfs/dbraw/zinc/32/76/72/1039327672.db2.gz MSJYBGFNYCEWLY-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO C[N@@H+]1CCC[C@]2(CCN(CCCOc3cccc4ccccc43)C2)C1 ZINC000555598029 1039423580 /nfs/dbraw/zinc/42/35/80/1039423580.db2.gz MTZRHORSVDBKEY-QFIPXVFZSA-N 1 3 338.495 4.026 20 0 EIADHO C[N@H+]1CCC[C@]2(CCN(CCCOc3cccc4ccccc43)C2)C1 ZINC000555598029 1039423588 /nfs/dbraw/zinc/42/35/88/1039423588.db2.gz MTZRHORSVDBKEY-QFIPXVFZSA-N 1 3 338.495 4.026 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@@H](C)C1 ZINC000550856239 1039654611 /nfs/dbraw/zinc/65/46/11/1039654611.db2.gz ITARHSAFPBFCMO-LPHOPBHVSA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](NCc2cc3ccccc3s2)[C@@H](C)C1 ZINC000550856239 1039654623 /nfs/dbraw/zinc/65/46/23/1039654623.db2.gz ITARHSAFPBFCMO-LPHOPBHVSA-N 1 3 346.540 4.128 20 0 EIADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1Cl ZINC000643534419 1039714572 /nfs/dbraw/zinc/71/45/72/1039714572.db2.gz UOVYNYDQMACZFR-SKDRFNHKSA-N 1 3 333.690 4.440 20 0 EIADHO C[C@H](Cc1ccccc1C(F)(F)F)NC1CC([NH+]2CCCCC2)C1 ZINC000481992053 1039935014 /nfs/dbraw/zinc/93/50/14/1039935014.db2.gz NCXGELLZVLPKMP-ODIFPOPNSA-N 1 3 340.433 4.243 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133275 1040028873 /nfs/dbraw/zinc/02/88/73/1040028873.db2.gz IXPFWZXKRSIRKW-CVEARBPZSA-N 1 3 332.488 4.450 20 0 EIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1 ZINC000482133275 1040028893 /nfs/dbraw/zinc/02/88/93/1040028893.db2.gz IXPFWZXKRSIRKW-CVEARBPZSA-N 1 3 332.488 4.450 20 0 EIADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000510031681 1040124887 /nfs/dbraw/zinc/12/48/87/1040124887.db2.gz YLHRFYLIEZMGHS-SAPNQHFASA-N 1 3 330.516 4.089 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000479117829 1040151222 /nfs/dbraw/zinc/15/12/22/1040151222.db2.gz IGCXAKKVHXNFIE-HXUWFJFHSA-N 1 3 344.886 4.058 20 0 EIADHO c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482439908 1040249275 /nfs/dbraw/zinc/24/92/75/1040249275.db2.gz PRLVUBOUXBUQHI-ICSRJNTNSA-N 1 3 340.536 4.280 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000479406164 1040328410 /nfs/dbraw/zinc/32/84/10/1040328410.db2.gz BGQAZRGKSTTYII-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO Cc1ccccc1OCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000482545017 1040345586 /nfs/dbraw/zinc/34/55/86/1040345586.db2.gz WJIOAVNHXGEAQF-UHFFFAOYSA-N 1 3 330.516 4.151 20 0 EIADHO Cc1ccccc1OCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000482545017 1040345607 /nfs/dbraw/zinc/34/56/07/1040345607.db2.gz WJIOAVNHXGEAQF-UHFFFAOYSA-N 1 3 330.516 4.151 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537952085 1040918626 /nfs/dbraw/zinc/91/86/26/1040918626.db2.gz PJKBCEQAMVFONV-GCJKJVERSA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(C)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537952085 1040918644 /nfs/dbraw/zinc/91/86/44/1040918644.db2.gz PJKBCEQAMVFONV-GCJKJVERSA-N 1 3 338.495 4.004 20 0 EIADHO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089330 1040927962 /nfs/dbraw/zinc/92/79/62/1040927962.db2.gz HFZBJLNIILNJHZ-ZFWWWQNUSA-N 1 3 328.472 4.179 20 0 EIADHO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000480089330 1040927986 /nfs/dbraw/zinc/92/79/86/1040927986.db2.gz HFZBJLNIILNJHZ-ZFWWWQNUSA-N 1 3 328.472 4.179 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccc(Br)c21 ZINC000483734456 1040986472 /nfs/dbraw/zinc/98/64/72/1040986472.db2.gz XDQFQMGZLSZLQF-IATRGZMQSA-N 1 3 337.305 4.070 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccc(Br)c21 ZINC000483734456 1040986500 /nfs/dbraw/zinc/98/65/00/1040986500.db2.gz XDQFQMGZLSZLQF-IATRGZMQSA-N 1 3 337.305 4.070 20 0 EIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729139 1040999018 /nfs/dbraw/zinc/99/90/18/1040999018.db2.gz OLWXYLCKDDCTBF-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000483729139 1040999033 /nfs/dbraw/zinc/99/90/33/1040999033.db2.gz OLWXYLCKDDCTBF-LVCYWYKZSA-N 1 3 338.495 4.399 20 0 EIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3c2cccc3OC)cc1 ZINC000480147428 1041003426 /nfs/dbraw/zinc/00/34/26/1041003426.db2.gz OXRSKFPKWZZAII-NRFANRHFSA-N 1 3 338.495 4.314 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(Cl)c1Cl ZINC000484292344 1041194881 /nfs/dbraw/zinc/19/48/81/1041194881.db2.gz CVCIYOQSEOWRJX-CHWSQXEVSA-N 1 3 333.303 4.001 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000484292352 1041197927 /nfs/dbraw/zinc/19/79/27/1041197927.db2.gz CVCIYOQSEOWRJX-STQMWFEESA-N 1 3 333.303 4.001 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc2ccccc21 ZINC000540169046 1041212808 /nfs/dbraw/zinc/21/28/08/1041212808.db2.gz JJQUMKAGIHPQNS-GUDVDZBRSA-N 1 3 340.511 4.380 20 0 EIADHO CCCOc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)c(OCCC)c1 ZINC000538405792 1041301956 /nfs/dbraw/zinc/30/19/56/1041301956.db2.gz FDYWVCQGDGOCJS-QGZVFWFLSA-N 1 3 346.515 4.177 20 0 EIADHO CCCOc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)c(OCCC)c1 ZINC000538405792 1041301972 /nfs/dbraw/zinc/30/19/72/1041301972.db2.gz FDYWVCQGDGOCJS-QGZVFWFLSA-N 1 3 346.515 4.177 20 0 EIADHO CCCOc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)c(OCCC)c1 ZINC000538405791 1041302574 /nfs/dbraw/zinc/30/25/74/1041302574.db2.gz FDYWVCQGDGOCJS-KRWDZBQOSA-N 1 3 346.515 4.177 20 0 EIADHO CCCOc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)c(OCCC)c1 ZINC000538405791 1041302585 /nfs/dbraw/zinc/30/25/85/1041302585.db2.gz FDYWVCQGDGOCJS-KRWDZBQOSA-N 1 3 346.515 4.177 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261238 1041328327 /nfs/dbraw/zinc/32/83/27/1041328327.db2.gz XIANTHRQDXOUMZ-WMLDXEAASA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261238 1041328337 /nfs/dbraw/zinc/32/83/37/1041328337.db2.gz XIANTHRQDXOUMZ-WMLDXEAASA-N 1 3 328.422 4.334 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000540261238 1041328349 /nfs/dbraw/zinc/32/83/49/1041328349.db2.gz XIANTHRQDXOUMZ-WMLDXEAASA-N 1 3 328.422 4.334 20 0 EIADHO Fc1ccc(CC[NH+]2CCC(NC/C=C\c3ccccc3)CC2)cc1 ZINC000463128413 1041349816 /nfs/dbraw/zinc/34/98/16/1041349816.db2.gz QPXNSRVPUVXMGF-DAXSKMNVSA-N 1 3 338.470 4.136 20 0 EIADHO Cc1cccc([C@H]([NH2+]C[C@@H]2CCCN(C)C2)c2cccc(F)c2)c1 ZINC000554725212 1041353179 /nfs/dbraw/zinc/35/31/79/1041353179.db2.gz PPYKYJGZXBXLJN-UWJYYQICSA-N 1 3 326.459 4.155 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463207402 1041419557 /nfs/dbraw/zinc/41/95/57/1041419557.db2.gz SQVYGBXETXBYRB-GHTZIAJQSA-N 1 3 338.495 4.146 20 0 EIADHO COc1cc(C)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463207402 1041419561 /nfs/dbraw/zinc/41/95/61/1041419561.db2.gz SQVYGBXETXBYRB-GHTZIAJQSA-N 1 3 338.495 4.146 20 0 EIADHO CC[NH+]1CCC(NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000540399448 1041432174 /nfs/dbraw/zinc/43/21/74/1041432174.db2.gz YCZIKIWUVQQVRX-UHFFFAOYSA-N 1 3 349.931 4.080 20 0 EIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2(Cc3ccccc3)CC2)CC1 ZINC000480689175 1041473462 /nfs/dbraw/zinc/47/34/62/1041473462.db2.gz MBMGMIIJJJBMKF-WIYYLYMNSA-N 1 3 326.528 4.394 20 0 EIADHO CC(C)CC1(C[NH2+][C@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1 ZINC000540493332 1041497500 /nfs/dbraw/zinc/49/75/00/1041497500.db2.gz ZONZMOLTWAITBR-IBGZPJMESA-N 1 3 342.527 4.391 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000538738290 1041507546 /nfs/dbraw/zinc/50/75/46/1041507546.db2.gz LRPRUKRMVPGWLD-FXAWDEMLSA-N 1 3 330.516 4.170 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)[C@@H](C)C1 ZINC000538738290 1041507558 /nfs/dbraw/zinc/50/75/58/1041507558.db2.gz LRPRUKRMVPGWLD-FXAWDEMLSA-N 1 3 330.516 4.170 20 0 EIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1nc2c(s1)CCCC2 ZINC000538985195 1041602129 /nfs/dbraw/zinc/60/21/29/1041602129.db2.gz VSPDVMAITAPJMW-MRXNPFEDSA-N 1 3 335.561 4.329 20 0 EIADHO COc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962865 1041754251 /nfs/dbraw/zinc/75/42/51/1041754251.db2.gz XRCHRDRUYPJUDB-RXVVDRJESA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000540962865 1041754265 /nfs/dbraw/zinc/75/42/65/1041754265.db2.gz XRCHRDRUYPJUDB-RXVVDRJESA-N 1 3 338.495 4.004 20 0 EIADHO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(C)c1 ZINC000540962865 1041754282 /nfs/dbraw/zinc/75/42/82/1041754282.db2.gz XRCHRDRUYPJUDB-RXVVDRJESA-N 1 3 338.495 4.004 20 0 EIADHO C[C@H](Cc1ccsc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000541234373 1041859779 /nfs/dbraw/zinc/85/97/79/1041859779.db2.gz DXGODMGBKMCXES-YLJYHZDGSA-N 1 3 328.525 4.133 20 0 EIADHO C[C@H](Cc1ccsc1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541234373 1041859780 /nfs/dbraw/zinc/85/97/80/1041859780.db2.gz DXGODMGBKMCXES-YLJYHZDGSA-N 1 3 328.525 4.133 20 0 EIADHO CC[NH+](CC)CCCC1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000541245680 1041867565 /nfs/dbraw/zinc/86/75/65/1041867565.db2.gz FMVAKYKBOBNWEK-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425940901 1042017806 /nfs/dbraw/zinc/01/78/06/1042017806.db2.gz IMTSLCUOQVCUBP-CHWSQXEVSA-N 1 3 335.492 4.106 20 0 EIADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000467365299 1042021336 /nfs/dbraw/zinc/02/13/36/1042021336.db2.gz PDSUALYQBJGFJS-COXVUDFISA-N 1 3 328.422 4.099 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425951438 1042067854 /nfs/dbraw/zinc/06/78/54/1042067854.db2.gz MQKMNCBRCRUQQP-HUUCEWRRSA-N 1 3 331.529 4.275 20 0 EIADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000438192916 1042084310 /nfs/dbraw/zinc/08/43/10/1042084310.db2.gz RQNMERPIXNAZLH-IFMALSPDSA-N 1 3 326.528 4.493 20 0 EIADHO c1csc(C[N@H+]2CCC[C@H](CNc3ccnc4ccccc43)C2)c1 ZINC000518893856 1042742635 /nfs/dbraw/zinc/74/26/35/1042742635.db2.gz ILTDTPPHBCAOLA-MRXNPFEDSA-N 1 3 337.492 4.042 20 0 EIADHO c1csc(C[N@@H+]2CCC[C@H](CNc3ccnc4ccccc43)C2)c1 ZINC000518893856 1042742645 /nfs/dbraw/zinc/74/26/45/1042742645.db2.gz ILTDTPPHBCAOLA-MRXNPFEDSA-N 1 3 337.492 4.042 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099002 1042828012 /nfs/dbraw/zinc/82/80/12/1042828012.db2.gz WRNMJHGYJZREEX-RXVVDRJESA-N 1 3 326.459 4.389 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000310099002 1042828015 /nfs/dbraw/zinc/82/80/15/1042828015.db2.gz WRNMJHGYJZREEX-RXVVDRJESA-N 1 3 326.459 4.389 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(OC)c2)c1 ZINC000177227908 1042831472 /nfs/dbraw/zinc/83/14/72/1042831472.db2.gz VWZYQCLMBDPHOP-QGZVFWFLSA-N 1 3 326.484 4.388 20 0 EIADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000310522232 1042839364 /nfs/dbraw/zinc/83/93/64/1042839364.db2.gz NVJWGIYVOVMALP-YLJYHZDGSA-N 1 3 326.459 4.134 20 0 EIADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000311007381 1042849896 /nfs/dbraw/zinc/84/98/96/1042849896.db2.gz WOYAWOMPCPZDHJ-LWYYNNOASA-N 1 3 348.481 4.312 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311064202 1042852227 /nfs/dbraw/zinc/85/22/27/1042852227.db2.gz JCQRFOBBWYZVPE-UTKZUKDTSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311129922 1042853914 /nfs/dbraw/zinc/85/39/14/1042853914.db2.gz WJBKMGOAOKRSBJ-IEBWSBKVSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]1CC([NH2+]Cc2ccc(F)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168008874 1043087651 /nfs/dbraw/zinc/08/76/51/1043087651.db2.gz YFHVVSLUQIPRRO-IAGOWNOFSA-N 1 3 326.459 4.357 20 0 EIADHO CCOc1cccc2cc([C@@H](C)[NH2+]CC[C@@H]3CCCCN3C)oc21 ZINC000543518913 1043236025 /nfs/dbraw/zinc/23/60/25/1043236025.db2.gz SSAQEGDKPNAMNN-WBVHZDCISA-N 1 3 330.472 4.357 20 0 EIADHO COCCC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000442633206 1043773908 /nfs/dbraw/zinc/77/39/08/1043773908.db2.gz CDGXCWBEZAATNH-PXNSSMCTSA-N 1 3 336.495 4.148 20 0 EIADHO COCCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000521477541 1043786974 /nfs/dbraw/zinc/78/69/74/1043786974.db2.gz RLFSCTLNDBHCCU-YPAWHYETSA-N 1 3 344.543 4.084 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000191550227 1043825901 /nfs/dbraw/zinc/82/59/01/1043825901.db2.gz VFIVEOUOCMHTAC-IAGOWNOFSA-N 1 3 340.433 4.199 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000191550227 1043825902 /nfs/dbraw/zinc/82/59/02/1043825902.db2.gz VFIVEOUOCMHTAC-IAGOWNOFSA-N 1 3 340.433 4.199 20 0 EIADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000195138748 1044026445 /nfs/dbraw/zinc/02/64/45/1044026445.db2.gz DQALDPSPLPZFMJ-AZUAARDMSA-N 1 3 345.490 4.408 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC000195138760 1044027064 /nfs/dbraw/zinc/02/70/64/1044027064.db2.gz DQALDPSPLPZFMJ-UYAOXDASSA-N 1 3 345.490 4.408 20 0 EIADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCN(CC(C)C)CC1 ZINC000474049025 1044297192 /nfs/dbraw/zinc/29/71/92/1044297192.db2.gz ZJQQSWRVVATHJF-FQEVSTJZSA-N 1 3 330.516 4.128 20 0 EIADHO C[C@H]1CC(NCC2(c3ccccn3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017572 1044310527 /nfs/dbraw/zinc/31/05/27/1044310527.db2.gz BDQWSGDSSPVRDP-OALUTQOASA-N 1 3 349.522 4.144 20 0 EIADHO Clc1cccc2c1C[C@@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001168719142 1044410274 /nfs/dbraw/zinc/41/02/74/1044410274.db2.gz UYAWVCYYPGIPQX-APWZRJJASA-N 1 3 344.930 4.218 20 0 EIADHO Clc1cccc2c1C[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001168719142 1044410284 /nfs/dbraw/zinc/41/02/84/1044410284.db2.gz UYAWVCYYPGIPQX-APWZRJJASA-N 1 3 344.930 4.218 20 0 EIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCSc3c(F)cccc32)c1 ZINC000177733522 1044450921 /nfs/dbraw/zinc/45/09/21/1044450921.db2.gz CLCKJWIABXLRHZ-SFHVURJKSA-N 1 3 330.472 4.214 20 0 EIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728295 1044460367 /nfs/dbraw/zinc/46/03/67/1044460367.db2.gz FVLGTTIIQYEYGU-UZLBHIALSA-N 1 3 325.500 4.255 20 0 EIADHO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000675728295 1044460389 /nfs/dbraw/zinc/46/03/89/1044460389.db2.gz FVLGTTIIQYEYGU-UZLBHIALSA-N 1 3 325.500 4.255 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000675897597 1044543049 /nfs/dbraw/zinc/54/30/49/1044543049.db2.gz HEQAPAHQZUHIOA-FUHWJXTLSA-N 1 3 340.433 4.054 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000675897597 1044543057 /nfs/dbraw/zinc/54/30/57/1044543057.db2.gz HEQAPAHQZUHIOA-FUHWJXTLSA-N 1 3 340.433 4.054 20 0 EIADHO C[C@H]1CCC[N@H+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428876719 1044805649 /nfs/dbraw/zinc/80/56/49/1044805649.db2.gz OJFZZAXUBYAKHE-AWEZNQCLSA-N 1 3 335.492 4.037 20 0 EIADHO C[C@H]1CCC[N@@H+](CCCCNCc2nc3ccc(F)cc3s2)C1 ZINC000428876719 1044805654 /nfs/dbraw/zinc/80/56/54/1044805654.db2.gz OJFZZAXUBYAKHE-AWEZNQCLSA-N 1 3 335.492 4.037 20 0 EIADHO Fc1ccccc1C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000191692350 1044909712 /nfs/dbraw/zinc/90/97/12/1044909712.db2.gz MMVIOGWRHDDVQC-QFIPXVFZSA-N 1 3 338.470 4.326 20 0 EIADHO Fc1ccccc1C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000191693382 1044915993 /nfs/dbraw/zinc/91/59/93/1044915993.db2.gz QZVQIMHCSYXDAF-JTSKRJEESA-N 1 3 338.470 4.183 20 0 EIADHO Fc1ccccc1C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000191693382 1044916011 /nfs/dbraw/zinc/91/60/11/1044916011.db2.gz QZVQIMHCSYXDAF-JTSKRJEESA-N 1 3 338.470 4.183 20 0 EIADHO Cc1nc([C@H](C)N2CC[C@H](C[NH3+])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000923494883 1045134941 /nfs/dbraw/zinc/13/49/41/1045134941.db2.gz PYRMSXMOXSPFOQ-IVMMDQJWSA-N 1 3 347.890 4.281 20 0 EIADHO CCN1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000766259413 1045250824 /nfs/dbraw/zinc/25/08/24/1045250824.db2.gz YLSAAUYOGXAUSR-CQDKDKBSSA-N 1 3 343.298 4.137 20 0 EIADHO c1ccc(Sc2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)cc1 ZINC000533607795 1045649038 /nfs/dbraw/zinc/64/90/38/1045649038.db2.gz CIRJATGWKMDJSE-SFHVURJKSA-N 1 3 338.520 4.412 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc2c(c1)CCCO2 ZINC000768101095 1045715505 /nfs/dbraw/zinc/71/55/05/1045715505.db2.gz HISCZRPDWNOOSY-FXAWDEMLSA-N 1 3 330.516 4.173 20 0 EIADHO c1cc2c[nH]cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c-2n1 ZINC001170333249 1046005094 /nfs/dbraw/zinc/00/50/94/1046005094.db2.gz LMTYKCVBFPBEQS-LDLYASANSA-N 1 3 332.451 4.170 20 0 EIADHO c1cc2c[nH]cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c-2n1 ZINC001170333249 1046005110 /nfs/dbraw/zinc/00/51/10/1046005110.db2.gz LMTYKCVBFPBEQS-LDLYASANSA-N 1 3 332.451 4.170 20 0 EIADHO c1cc2cncc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2[nH]1 ZINC001170333249 1046005125 /nfs/dbraw/zinc/00/51/25/1046005125.db2.gz LMTYKCVBFPBEQS-LDLYASANSA-N 1 3 332.451 4.170 20 0 EIADHO c1cc2cncc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2[nH]1 ZINC001170333249 1046005139 /nfs/dbraw/zinc/00/51/39/1046005139.db2.gz LMTYKCVBFPBEQS-LDLYASANSA-N 1 3 332.451 4.170 20 0 EIADHO CCCN1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000161595227 1046018255 /nfs/dbraw/zinc/01/82/55/1046018255.db2.gz OSGVTGWKOAKGAM-CYBMUJFWSA-N 1 3 330.394 4.110 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@H](C)C1 ZINC000536660001 1046626096 /nfs/dbraw/zinc/62/60/96/1046626096.db2.gz SASDIZZBPCSPCK-NVXWUHKLSA-N 1 3 340.458 4.067 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(OC(F)F)c(C)c2)[C@H](C)C1 ZINC000536660001 1046626102 /nfs/dbraw/zinc/62/61/02/1046626102.db2.gz SASDIZZBPCSPCK-NVXWUHKLSA-N 1 3 340.458 4.067 20 0 EIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@H](C)C1 ZINC000536682261 1046684585 /nfs/dbraw/zinc/68/45/85/1046684585.db2.gz BJCDJJXDORATLU-IERDGZPVSA-N 1 3 326.484 4.011 20 0 EIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3cc(OC)ccc3c2)[C@H](C)C1 ZINC000536682261 1046684593 /nfs/dbraw/zinc/68/45/93/1046684593.db2.gz BJCDJJXDORATLU-IERDGZPVSA-N 1 3 326.484 4.011 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(F)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000379644802 1046738998 /nfs/dbraw/zinc/73/89/98/1046738998.db2.gz CPYLNOWWZTYXQS-BUVFEPMLSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(F)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000379644802 1046739007 /nfs/dbraw/zinc/73/90/07/1046739007.db2.gz CPYLNOWWZTYXQS-BUVFEPMLSA-N 1 3 338.470 4.456 20 0 EIADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2c1 ZINC000536859341 1046826800 /nfs/dbraw/zinc/82/68/00/1046826800.db2.gz RZNWUVUMFNCUKQ-GUDVDZBRSA-N 1 3 340.511 4.380 20 0 EIADHO c1ccc(C[NH2+]C2CCN(CC[C@H]3CCc4ccccc43)CC2)cc1 ZINC001170470053 1046827270 /nfs/dbraw/zinc/82/72/70/1046827270.db2.gz UKWRITUMELONBZ-OAQYLSRUSA-N 1 3 334.507 4.361 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCCO[C@@H]2CCCc3ccccc32)CC1 ZINC000536871353 1046835076 /nfs/dbraw/zinc/83/50/76/1046835076.db2.gz QYVPPLZUCULGGR-OAQYLSRUSA-N 1 3 344.543 4.323 20 0 EIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)C1 ZINC000459713203 1046868812 /nfs/dbraw/zinc/86/88/12/1046868812.db2.gz NZJYVQDSHMUDJQ-MMIPBJDJSA-N 1 3 328.491 4.443 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCc2nc(Cl)ccc21 ZINC000806131037 1047155766 /nfs/dbraw/zinc/15/57/66/1047155766.db2.gz FPYYJZKDYWFBBI-SFHVURJKSA-N 1 3 343.902 4.352 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCc2nc(Cl)ccc21 ZINC000806131037 1047155775 /nfs/dbraw/zinc/15/57/75/1047155775.db2.gz FPYYJZKDYWFBBI-SFHVURJKSA-N 1 3 343.902 4.352 20 0 EIADHO C=Cc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528192 1047470065 /nfs/dbraw/zinc/47/00/65/1047470065.db2.gz KKCOCASYOLMDDF-UHFFFAOYSA-N 1 3 345.490 4.239 20 0 EIADHO C[C@@H]1CC[C@@H](N2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001170120360 1047476804 /nfs/dbraw/zinc/47/68/04/1047476804.db2.gz GBMJJHJTIQBRRH-CZUORRHYSA-N 1 3 326.406 4.144 20 0 EIADHO CC(C)C[C@@H](N)c1nc2ccccc2n1C1CCC([NH+](C)C)CC1 ZINC001168304303 1047742791 /nfs/dbraw/zinc/74/27/91/1047742791.db2.gz USHPYNNRQXJHQC-OFLPRAFFSA-N 1 3 328.504 4.128 20 0 EIADHO CC1CC[NH+](Cc2ccccc2CNCc2ccc3[nH]cnc3c2)CC1 ZINC000550620039 1047763644 /nfs/dbraw/zinc/76/36/44/1047763644.db2.gz SVDQBPKJEFYNBU-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO CC1CC[NH+](Cc2ccccc2CNCc2ccc3nc[nH]c3c2)CC1 ZINC000550620039 1047763652 /nfs/dbraw/zinc/76/36/52/1047763652.db2.gz SVDQBPKJEFYNBU-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)cc1 ZINC000556589895 1047835028 /nfs/dbraw/zinc/83/50/28/1047835028.db2.gz QPMLMMWPJMIJCC-ZCLUNYJNSA-N 1 3 330.516 4.041 20 0 EIADHO Oc1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499153569 1048361911 /nfs/dbraw/zinc/36/19/11/1048361911.db2.gz RVFXRCBDDJZJFB-VQQMMKBISA-N 1 3 348.490 4.165 20 0 EIADHO CCCC[N@H+](C)CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000134155801 1048888542 /nfs/dbraw/zinc/88/85/42/1048888542.db2.gz ZLEXLAPNQAVHKY-UHFFFAOYSA-N 1 3 346.544 4.082 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000134155801 1048888543 /nfs/dbraw/zinc/88/85/43/1048888543.db2.gz ZLEXLAPNQAVHKY-UHFFFAOYSA-N 1 3 346.544 4.082 20 0 EIADHO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000237343616 1048929255 /nfs/dbraw/zinc/92/92/55/1048929255.db2.gz WPLBOJYJHBQVJJ-UXHICEINSA-N 1 3 338.495 4.325 20 0 EIADHO C[C@H]1C[C@@H](NCc2cccc3cc[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000237695332 1048977092 /nfs/dbraw/zinc/97/70/92/1048977092.db2.gz JOSAJMPZFNWJTB-UWJYYQICSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@@H](NCc2cccc3cc[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000237695332 1048977107 /nfs/dbraw/zinc/97/71/07/1048977107.db2.gz JOSAJMPZFNWJTB-UWJYYQICSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc2c(c1)CCC2 ZINC000817907249 1049055423 /nfs/dbraw/zinc/05/54/23/1049055423.db2.gz SVICRDOEFWQJBA-YTJPUZGESA-N 1 3 348.490 4.082 20 0 EIADHO C[C@@H]([NH3+])C[C@H](C)NCCCN1c2ccccc2Sc2ccccc21 ZINC000817913011 1049058486 /nfs/dbraw/zinc/05/84/86/1049058486.db2.gz TYPAKHZJVZHTOH-CVEARBPZSA-N 1 3 341.524 4.395 20 0 EIADHO FC(F)Sc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000817967843 1049071262 /nfs/dbraw/zinc/07/12/62/1049071262.db2.gz CSNFXXATLNUJKQ-CZUORRHYSA-N 1 3 326.456 4.110 20 0 EIADHO COc1c(C)cc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1Cl ZINC000817967774 1049071485 /nfs/dbraw/zinc/07/14/85/1049071485.db2.gz BPXLIPONTLTOSM-CYBMUJFWSA-N 1 3 330.859 4.111 20 0 EIADHO C[NH+](C)CC[C@@H](N[C@@H]1CCc2cc(F)cc(F)c2C1)c1ccccc1 ZINC001170657879 1049342674 /nfs/dbraw/zinc/34/26/74/1049342674.db2.gz HICFQHHXLDIOAL-WIYYLYMNSA-N 1 3 344.449 4.105 20 0 EIADHO C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1cc(F)ccc1F ZINC000378891559 1049421810 /nfs/dbraw/zinc/42/18/10/1049421810.db2.gz QYUDTJYRNRGRBP-INIZCTEOSA-N 1 3 344.449 4.323 20 0 EIADHO CSCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716641417 1049700222 /nfs/dbraw/zinc/70/02/22/1049700222.db2.gz ZVBLVQHJQDBAAB-UFYCRDLUSA-N 1 3 332.557 4.162 20 0 EIADHO CC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC(F)(F)C1 ZINC000716691666 1049700448 /nfs/dbraw/zinc/70/04/48/1049700448.db2.gz JICNGSHUMMIDBZ-BZSNNMDCSA-N 1 3 334.454 4.065 20 0 EIADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)(F)F ZINC000716680016 1049702433 /nfs/dbraw/zinc/70/24/33/1049702433.db2.gz PKASZECXGJWRAE-OWLYRPNTSA-N 1 3 340.433 4.218 20 0 EIADHO Fc1cc2c(cc1F)C[C@H]([N@@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001171486352 1049715644 /nfs/dbraw/zinc/71/56/44/1049715644.db2.gz BPLIABWPBCWRNO-RBUKOAKNSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cc2c(cc1F)C[C@H]([N@H+]1CCCC[C@H]1CCN1CCCC1)CC2 ZINC001171486352 1049715647 /nfs/dbraw/zinc/71/56/47/1049715647.db2.gz BPLIABWPBCWRNO-RBUKOAKNSA-N 1 3 348.481 4.163 20 0 EIADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)CC2 ZINC001170978750 1049737088 /nfs/dbraw/zinc/73/70/88/1049737088.db2.gz ZSNGQTJUJGMKNR-YLJYHZDGSA-N 1 3 342.502 4.093 20 0 EIADHO Fc1cccc2c1C[C@H](NC1CC[NH+](C[C@@H]3CC=CCC3)CC1)CC2 ZINC001170978750 1049737104 /nfs/dbraw/zinc/73/71/04/1049737104.db2.gz ZSNGQTJUJGMKNR-YLJYHZDGSA-N 1 3 342.502 4.093 20 0 EIADHO COc1cccc(CC2(C[NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC2)c1 ZINC001171631044 1049762596 /nfs/dbraw/zinc/76/25/96/1049762596.db2.gz VELLPQAYGMHVHT-UHFFFAOYSA-N 1 3 344.543 4.259 20 0 EIADHO COc1ccc([C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C2CC2)cc1 ZINC001171622870 1049767915 /nfs/dbraw/zinc/76/79/15/1049767915.db2.gz AUDRITFUUCMPNR-LJQANCHMSA-N 1 3 330.516 4.387 20 0 EIADHO C[NH+]1C(C)(C)CC(NCCc2ccc3ccccc3n2)CC1(C)C ZINC001171625665 1049767983 /nfs/dbraw/zinc/76/79/83/1049767983.db2.gz MPCSBFCWKHYPEC-UHFFFAOYSA-N 1 3 325.500 4.018 20 0 EIADHO Cc1ccc(CC[C@@H](C)N2CCC([NH3+])(c3ccc(F)cc3)CC2)cc1 ZINC001171666004 1049772810 /nfs/dbraw/zinc/77/28/10/1049772810.db2.gz KRYZFMIUICYYFD-GOSISDBHSA-N 1 3 340.486 4.405 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245550267 1049776672 /nfs/dbraw/zinc/77/66/72/1049776672.db2.gz OOAHYCYVKPMSAQ-RDBSUJKOSA-N 1 3 327.299 4.141 20 0 EIADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245550267 1049776678 /nfs/dbraw/zinc/77/66/78/1049776678.db2.gz OOAHYCYVKPMSAQ-RDBSUJKOSA-N 1 3 327.299 4.141 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC3(Cc4ccccc4O3)CC2)CC1(C)C ZINC001171642468 1049779182 /nfs/dbraw/zinc/77/91/82/1049779182.db2.gz KFURQYKKZDCSQQ-UHFFFAOYSA-N 1 3 342.527 4.108 20 0 EIADHO COc1ccc([C@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)cc1 ZINC001171643384 1049781297 /nfs/dbraw/zinc/78/12/97/1049781297.db2.gz SFDQMQLJFYMXEY-KRWDZBQOSA-N 1 3 330.516 4.136 20 0 EIADHO COc1ccc([C@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)cc1 ZINC001171643384 1049781304 /nfs/dbraw/zinc/78/13/04/1049781304.db2.gz SFDQMQLJFYMXEY-KRWDZBQOSA-N 1 3 330.516 4.136 20 0 EIADHO CCC[N@H+](CCCN(C)C)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987394 1049841207 /nfs/dbraw/zinc/84/12/07/1049841207.db2.gz USAPMTIVLRHNHE-NRFANRHFSA-N 1 3 345.575 4.093 20 0 EIADHO CCC[N@@H+](CCCN(C)C)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987394 1049841208 /nfs/dbraw/zinc/84/12/08/1049841208.db2.gz USAPMTIVLRHNHE-NRFANRHFSA-N 1 3 345.575 4.093 20 0 EIADHO CN(CCc1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076444 1049845216 /nfs/dbraw/zinc/84/52/16/1049845216.db2.gz YQBUQILZRJSANY-JKHIJQBDSA-N 1 3 349.522 4.142 20 0 EIADHO CN(CCc1cccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076444 1049845221 /nfs/dbraw/zinc/84/52/21/1049845221.db2.gz YQBUQILZRJSANY-JKHIJQBDSA-N 1 3 349.522 4.142 20 0 EIADHO Cc1cnccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172070014 1049853574 /nfs/dbraw/zinc/85/35/74/1049853574.db2.gz ZUMUFTZUQGHSCJ-DKUWSORSSA-N 1 3 335.495 4.065 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001172123000 1049858368 /nfs/dbraw/zinc/85/83/68/1049858368.db2.gz XARZRQDCIXVRLY-ZBYYUNFXSA-N 1 3 335.495 4.099 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001172123000 1049858371 /nfs/dbraw/zinc/85/83/71/1049858371.db2.gz XARZRQDCIXVRLY-ZBYYUNFXSA-N 1 3 335.495 4.099 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)ccc1OC ZINC000180259693 1049873129 /nfs/dbraw/zinc/87/31/29/1049873129.db2.gz WHGGJTYQMFRZNY-XLIONFOSSA-N 1 3 348.531 4.147 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)nc1 ZINC000246098455 1049908456 /nfs/dbraw/zinc/90/84/56/1049908456.db2.gz JCHQEAJKRRBCGZ-NZQKXSOJSA-N 1 3 347.506 4.197 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)nc1 ZINC000246098455 1049908462 /nfs/dbraw/zinc/90/84/62/1049908462.db2.gz JCHQEAJKRRBCGZ-NZQKXSOJSA-N 1 3 347.506 4.197 20 0 EIADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCN1CCCC1 ZINC001172564560 1049935297 /nfs/dbraw/zinc/93/52/97/1049935297.db2.gz IYNPPGYPQVTRDS-CYBMUJFWSA-N 1 3 330.850 4.015 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172721646 1049965209 /nfs/dbraw/zinc/96/52/09/1049965209.db2.gz IIPPCFCULXSBKH-UFYCRDLUSA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172721646 1049965213 /nfs/dbraw/zinc/96/52/13/1049965213.db2.gz IIPPCFCULXSBKH-UFYCRDLUSA-N 1 3 332.919 4.146 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247119581 1050015405 /nfs/dbraw/zinc/01/54/05/1050015405.db2.gz UOBHUIYPOZZHSX-CABCVRRESA-N 1 3 326.431 4.059 20 0 EIADHO C[C@@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1ccncc1 ZINC000247396958 1050023530 /nfs/dbraw/zinc/02/35/30/1050023530.db2.gz HHOBQLUNJLYZFJ-GUDVDZBRSA-N 1 3 337.511 4.410 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000248728261 1050075364 /nfs/dbraw/zinc/07/53/64/1050075364.db2.gz VFIVEOUOCMHTAC-SJORKVTESA-N 1 3 340.433 4.199 20 0 EIADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000248728261 1050075371 /nfs/dbraw/zinc/07/53/71/1050075371.db2.gz VFIVEOUOCMHTAC-SJORKVTESA-N 1 3 340.433 4.199 20 0 EIADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001172827624 1050166919 /nfs/dbraw/zinc/16/69/19/1050166919.db2.gz DDIMFTCZBGSXOM-NRFANRHFSA-N 1 3 326.528 4.239 20 0 EIADHO CC[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC001177668759 1050274238 /nfs/dbraw/zinc/27/42/38/1050274238.db2.gz CNHNQGRCNOUQAM-YADHBBJMSA-N 1 3 336.523 4.334 20 0 EIADHO COc1ccc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC001177920113 1050329857 /nfs/dbraw/zinc/32/98/57/1050329857.db2.gz QOWRSFDKPXFVTA-FXAWDEMLSA-N 1 3 344.524 4.238 20 0 EIADHO COc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC001177920113 1050329862 /nfs/dbraw/zinc/32/98/62/1050329862.db2.gz QOWRSFDKPXFVTA-FXAWDEMLSA-N 1 3 344.524 4.238 20 0 EIADHO CCc1sc(CN2CCC[C@@](C)(C[NH3+])CC2)cc1Br ZINC001206317878 1050395783 /nfs/dbraw/zinc/39/57/83/1050395783.db2.gz KETJQLPRCNZLEE-OAHLLOKOSA-N 1 3 345.350 4.024 20 0 EIADHO CCc1ccc(C[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC001173241982 1050397198 /nfs/dbraw/zinc/39/71/98/1050397198.db2.gz RKUATEABQQHWAA-SFHVURJKSA-N 1 3 328.544 4.424 20 0 EIADHO C[C@H]1C[C@H](CCNCc2ccc(F)cc2F)C[N@@H+]1Cc1ccccc1 ZINC001178207954 1050403411 /nfs/dbraw/zinc/40/34/11/1050403411.db2.gz JKLCUJDGELSWEZ-WMZOPIPTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@H]1C[C@H](CCNCc2ccc(F)cc2F)C[N@H+]1Cc1ccccc1 ZINC001178207954 1050403428 /nfs/dbraw/zinc/40/34/28/1050403428.db2.gz JKLCUJDGELSWEZ-WMZOPIPTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]([NH2+]Cc1cccc2ccoc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001178330265 1050437219 /nfs/dbraw/zinc/43/72/19/1050437219.db2.gz ALMSVPXXIXCOGO-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H](NCc1cccc2ccoc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001178330265 1050437223 /nfs/dbraw/zinc/43/72/23/1050437223.db2.gz ALMSVPXXIXCOGO-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H](NCc1cccc2ccoc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001178330265 1050437227 /nfs/dbraw/zinc/43/72/27/1050437227.db2.gz ALMSVPXXIXCOGO-UTKZUKDTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173549692 1050485024 /nfs/dbraw/zinc/48/50/24/1050485024.db2.gz IFRAEYXVJVMOGN-DDUZABMNSA-N 1 3 341.326 4.198 20 0 EIADHO Cc1cc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C)c1-c1ccc(F)cc1 ZINC001206211317 1050530784 /nfs/dbraw/zinc/53/07/84/1050530784.db2.gz NJZHDJAOCWXFKH-UXHICEINSA-N 1 3 344.449 4.371 20 0 EIADHO C[C@H](NCc1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152911053 1050883247 /nfs/dbraw/zinc/88/32/47/1050883247.db2.gz GCMDDNNLNVUADW-HNNXBMFYSA-N 1 3 332.875 4.131 20 0 EIADHO Cc1cc(C)cc(CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001180267397 1050943244 /nfs/dbraw/zinc/94/32/44/1050943244.db2.gz VMXUOQCPDWMLPG-QHCPKHFHSA-N 1 3 336.523 4.300 20 0 EIADHO Cc1cc(C)cc(CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001180267397 1050943257 /nfs/dbraw/zinc/94/32/57/1050943257.db2.gz VMXUOQCPDWMLPG-QHCPKHFHSA-N 1 3 336.523 4.300 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2ccc(C)o2)ccc1OC ZINC000775373245 1051160851 /nfs/dbraw/zinc/16/08/51/1051160851.db2.gz PVZPTFOGVSWLIH-QGZVFWFLSA-N 1 3 344.499 4.332 20 0 EIADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388778 1051187008 /nfs/dbraw/zinc/18/70/08/1051187008.db2.gz TVIZAXSSTPSNNB-SUMWQHHRSA-N 1 3 340.483 4.310 20 0 EIADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775388778 1051187012 /nfs/dbraw/zinc/18/70/12/1051187012.db2.gz TVIZAXSSTPSNNB-SUMWQHHRSA-N 1 3 340.483 4.310 20 0 EIADHO C[C@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276061 1051196399 /nfs/dbraw/zinc/19/63/99/1051196399.db2.gz IKTYXRWDARYOQY-QRWLVFNGSA-N 1 3 336.470 4.455 20 0 EIADHO C[C@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(F)cc(F)c1 ZINC001181276061 1051196402 /nfs/dbraw/zinc/19/64/02/1051196402.db2.gz IKTYXRWDARYOQY-QRWLVFNGSA-N 1 3 336.470 4.455 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1CN1CCCCC1 ZINC000775395825 1051210919 /nfs/dbraw/zinc/21/09/19/1051210919.db2.gz MKFJRVKWBZSWRZ-VQIMIIECSA-N 1 3 348.556 4.227 20 0 EIADHO COc1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1CN1CCCCC1 ZINC000775397727 1051215172 /nfs/dbraw/zinc/21/51/72/1051215172.db2.gz VQMQRPXPEBHITQ-AWEZNQCLSA-N 1 3 344.421 4.284 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(SCC(F)(F)F)cc2)C1 ZINC000163221561 1051253240 /nfs/dbraw/zinc/25/32/40/1051253240.db2.gz QVDKKCRJVVTASO-UONOGXRCSA-N 1 3 346.462 4.333 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158098118 1051709299 /nfs/dbraw/zinc/70/92/99/1051709299.db2.gz HVYGODQRFLCXCG-ZFWWWQNUSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158098118 1051709310 /nfs/dbraw/zinc/70/93/10/1051709310.db2.gz HVYGODQRFLCXCG-ZFWWWQNUSA-N 1 3 347.503 4.250 20 0 EIADHO CCCC[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001182783848 1051712325 /nfs/dbraw/zinc/71/23/25/1051712325.db2.gz YNGAHHOHLUMWKK-LEWJYISDSA-N 1 3 329.532 4.242 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103529 1051713350 /nfs/dbraw/zinc/71/33/50/1051713350.db2.gz VWGONZGOKZVIMA-KBPBESRZSA-N 1 3 346.462 4.333 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000158103529 1051713360 /nfs/dbraw/zinc/71/33/60/1051713360.db2.gz VWGONZGOKZVIMA-KBPBESRZSA-N 1 3 346.462 4.333 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCCNc3ccccc32)CC1 ZINC000192687683 1052630085 /nfs/dbraw/zinc/63/00/85/1052630085.db2.gz MHGRULDOIOBBLR-HSZRJFAPSA-N 1 3 349.522 4.496 20 0 EIADHO CC1CC[NH+](Cc2ccccc2CNCc2cccc3n[nH]cc32)CC1 ZINC000623358267 1052630901 /nfs/dbraw/zinc/63/09/01/1052630901.db2.gz WFSMHQUQSRPWJH-UHFFFAOYSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cccc3n[nH]cc32)C1 ZINC000623357956 1052631385 /nfs/dbraw/zinc/63/13/85/1052631385.db2.gz IXFVMUTVALEXQW-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cccc3n[nH]cc32)C1 ZINC000623357956 1052631387 /nfs/dbraw/zinc/63/13/87/1052631387.db2.gz IXFVMUTVALEXQW-KRWDZBQOSA-N 1 3 348.494 4.085 20 0 EIADHO C[C@H](NCc1ccc(Cl)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000177861122 1052692701 /nfs/dbraw/zinc/69/27/01/1052692701.db2.gz GRBLIHIMUHVPKG-ZDUSSCGKSA-N 1 3 338.904 4.193 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000177976572 1052695468 /nfs/dbraw/zinc/69/54/68/1052695468.db2.gz TVCWEEAWNAOCIK-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000177976572 1052695472 /nfs/dbraw/zinc/69/54/72/1052695472.db2.gz TVCWEEAWNAOCIK-OAQYLSRUSA-N 1 3 326.459 4.443 20 0 EIADHO COc1ccc([C@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177979578 1052695784 /nfs/dbraw/zinc/69/57/84/1052695784.db2.gz GNMBLPKJDXSOGW-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO COc1ccc([C@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000177979578 1052695785 /nfs/dbraw/zinc/69/57/85/1052695785.db2.gz GNMBLPKJDXSOGW-KRWDZBQOSA-N 1 3 326.484 4.386 20 0 EIADHO C[C@H](NCc1cccc(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178042542 1052696850 /nfs/dbraw/zinc/69/68/50/1052696850.db2.gz DXYPIHIIHDKVLZ-HNNXBMFYSA-N 1 3 332.875 4.131 20 0 EIADHO CC(C)N1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000180405455 1052799095 /nfs/dbraw/zinc/79/90/95/1052799095.db2.gz FZJASSABOQLZMV-CYBMUJFWSA-N 1 3 330.394 4.109 20 0 EIADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180463455 1052800639 /nfs/dbraw/zinc/80/06/39/1052800639.db2.gz UREQFCINUUQEPT-FDFHNCONSA-N 1 3 344.543 4.082 20 0 EIADHO Fc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000380899479 1053047612 /nfs/dbraw/zinc/04/76/12/1053047612.db2.gz FIQRJAWLZHIJBK-QGZVFWFLSA-N 1 3 332.850 4.091 20 0 EIADHO C[C@@]1(C[NH2+]Cc2ccc(C(F)F)nc2)CCN(Cc2ccccc2)C1 ZINC000865555378 1053545913 /nfs/dbraw/zinc/54/59/13/1053545913.db2.gz YTCVZXHBBBPMKZ-FQEVSTJZSA-N 1 3 345.437 4.021 20 0 EIADHO CC(CCN[C@H](C)c1cscn1)CC[NH2+][C@H](C)c1cscn1 ZINC000852417844 1053576112 /nfs/dbraw/zinc/57/61/12/1053576112.db2.gz XYRKLVKXRQHMAI-ZIAGYGMSSA-N 1 3 338.546 4.017 20 0 EIADHO C[NH+](C)C1(C)CCC(NCc2csc(-c3ccsc3)n2)CC1 ZINC000865765824 1053588032 /nfs/dbraw/zinc/58/80/32/1053588032.db2.gz NIKCGFSPRHYORK-UHFFFAOYSA-N 1 3 335.542 4.224 20 0 EIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866239242 1053660983 /nfs/dbraw/zinc/66/09/83/1053660983.db2.gz RYYFKZPLNXNRRL-GFCCVEGCSA-N 1 3 333.863 4.006 20 0 EIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515150 1053852982 /nfs/dbraw/zinc/85/29/82/1053852982.db2.gz AYHXBRLUSRFHAI-UWJYYQICSA-N 1 3 326.459 4.041 20 0 EIADHO CC[N@H+]1CC[C@@H](CN[C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000429515150 1053852986 /nfs/dbraw/zinc/85/29/86/1053852986.db2.gz AYHXBRLUSRFHAI-UWJYYQICSA-N 1 3 326.459 4.041 20 0 EIADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCN1c1ccncc1 ZINC001197377340 1053897936 /nfs/dbraw/zinc/89/79/36/1053897936.db2.gz LUXNVVUTMPYUGX-SFHLNBCPSA-N 1 3 335.495 4.176 20 0 EIADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCN1c1ccncc1 ZINC001197377340 1053897942 /nfs/dbraw/zinc/89/79/42/1053897942.db2.gz LUXNVVUTMPYUGX-SFHLNBCPSA-N 1 3 335.495 4.176 20 0 EIADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026244 1054060556 /nfs/dbraw/zinc/06/05/56/1054060556.db2.gz BPFQQULXDYHFPO-CABCVRRESA-N 1 3 340.433 4.156 20 0 EIADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026244 1054060564 /nfs/dbraw/zinc/06/05/64/1054060564.db2.gz BPFQQULXDYHFPO-CABCVRRESA-N 1 3 340.433 4.156 20 0 EIADHO CC(C)CN1CCC([NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000624307481 1054167896 /nfs/dbraw/zinc/16/78/96/1054167896.db2.gz LPWGQGCGEYZTDX-UHFFFAOYSA-N 1 3 328.422 4.001 20 0 EIADHO CCNc1ccccc1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC001200941773 1054596587 /nfs/dbraw/zinc/59/65/87/1054596587.db2.gz JMUKRTWXLCCPLB-GOSISDBHSA-N 1 3 325.500 4.119 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2cc(F)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC001201492023 1054818312 /nfs/dbraw/zinc/81/83/12/1054818312.db2.gz PANQHTNAIMUPLH-AEFFLSMTSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]1C[C@H](CCNCc2cc(F)ccc2F)C[N@H+]1Cc1ccccc1 ZINC001201492023 1054818319 /nfs/dbraw/zinc/81/83/19/1054818319.db2.gz PANQHTNAIMUPLH-AEFFLSMTSA-N 1 3 344.449 4.355 20 0 EIADHO C[NH+](C)Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201474612 1054827980 /nfs/dbraw/zinc/82/79/80/1054827980.db2.gz HEXACQTXISVTPF-PKTZIBPZSA-N 1 3 347.506 4.481 20 0 EIADHO c1ccc(CCC[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)cc1 ZINC001201662089 1054879761 /nfs/dbraw/zinc/87/97/61/1054879761.db2.gz FLNQCWJMVQWXDO-UHFFFAOYSA-N 1 3 349.522 4.002 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]21 ZINC001202328549 1055142299 /nfs/dbraw/zinc/14/22/99/1055142299.db2.gz HNJRBGOQNWHGLN-FVQBIDKESA-N 1 3 346.462 4.233 20 0 EIADHO CN(Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC001202328549 1055142302 /nfs/dbraw/zinc/14/23/02/1055142302.db2.gz HNJRBGOQNWHGLN-FVQBIDKESA-N 1 3 346.462 4.233 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546106 1055227231 /nfs/dbraw/zinc/22/72/31/1055227231.db2.gz JKIZTMMDQIPBSC-GFCCVEGCSA-N 1 3 344.409 4.049 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000388982831 1060280237 /nfs/dbraw/zinc/28/02/37/1060280237.db2.gz RCJPPVGROIXVEJ-WZONZLPQSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2cnccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388982831 1060280259 /nfs/dbraw/zinc/28/02/59/1060280259.db2.gz RCJPPVGROIXVEJ-WZONZLPQSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@@H](NCc1ccc2cnccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388982831 1060280282 /nfs/dbraw/zinc/28/02/82/1060280282.db2.gz RCJPPVGROIXVEJ-WZONZLPQSA-N 1 3 345.490 4.235 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000532211060 1032092314 /nfs/dbraw/zinc/09/23/14/1032092314.db2.gz JTGSBLUXXDKJFN-FQEVSTJZSA-N 1 3 344.886 4.058 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225068 1032102520 /nfs/dbraw/zinc/10/25/20/1032102520.db2.gz KFTFQOYVURGCFD-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225068 1032102523 /nfs/dbraw/zinc/10/25/23/1032102523.db2.gz KFTFQOYVURGCFD-AZUAARDMSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(C)(C)C)s2)C[C@H](C)O1 ZINC000533200164 1032543808 /nfs/dbraw/zinc/54/38/08/1032543808.db2.gz MSLORNNIHLLARD-IYBDPMFKSA-N 1 3 338.561 4.025 20 0 EIADHO Fc1ccc(/C=C\CNC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000510209680 1020464400 /nfs/dbraw/zinc/46/44/00/1020464400.db2.gz RANQYVITXUPMRA-DAXSKMNVSA-N 1 3 342.433 4.232 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398172927 1020513880 /nfs/dbraw/zinc/51/38/80/1020513880.db2.gz IGWVBDGHPDVTFL-SPEDKVCISA-N 1 3 338.495 4.256 20 0 EIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398172927 1020513891 /nfs/dbraw/zinc/51/38/91/1020513891.db2.gz IGWVBDGHPDVTFL-SPEDKVCISA-N 1 3 338.495 4.256 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000340462318 1021062923 /nfs/dbraw/zinc/06/29/23/1021062923.db2.gz LDKAEPNKZRLBQE-QFIPXVFZSA-N 1 3 338.495 4.400 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000340462318 1021062925 /nfs/dbraw/zinc/06/29/25/1021062925.db2.gz LDKAEPNKZRLBQE-QFIPXVFZSA-N 1 3 338.495 4.400 20 0 EIADHO Fc1cccc(Cl)c1CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000683707487 1021131827 /nfs/dbraw/zinc/13/18/27/1021131827.db2.gz OWBWXWAXAXFEGD-UHFFFAOYSA-N 1 3 338.898 4.408 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2cnccc2c1 ZINC000683765483 1021381448 /nfs/dbraw/zinc/38/14/48/1021381448.db2.gz QOIIGBZGNSVNCH-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2cnccc2c1 ZINC000683765483 1021381467 /nfs/dbraw/zinc/38/14/67/1021381467.db2.gz QOIIGBZGNSVNCH-UHFFFAOYSA-N 1 3 333.479 4.365 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000422841878 1021649849 /nfs/dbraw/zinc/64/98/49/1021649849.db2.gz XAHGTZMFMGYEHR-LIRRHRJNSA-N 1 3 329.463 4.426 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3[nH]ccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379632389 1021846144 /nfs/dbraw/zinc/84/61/44/1021846144.db2.gz SLGCWNOGMCOFDO-LAUBAEHRSA-N 1 3 333.479 4.311 20 0 EIADHO C[C@H]1C[C@H](NCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379632389 1021846149 /nfs/dbraw/zinc/84/61/49/1021846149.db2.gz SLGCWNOGMCOFDO-LAUBAEHRSA-N 1 3 333.479 4.311 20 0 EIADHO Cc1cc(CN2CCC(CC[NH+](C)C)CC2)c(OC(F)F)cc1C ZINC000511477436 1021861243 /nfs/dbraw/zinc/86/12/43/1021861243.db2.gz KVZGIYAXUKGKEV-UHFFFAOYSA-N 1 3 340.458 4.069 20 0 EIADHO COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000414335689 1022606156 /nfs/dbraw/zinc/60/61/56/1022606156.db2.gz HPTHYBXMCISFOW-AVRDEDQJSA-N 1 3 342.527 4.185 20 0 EIADHO COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000311058171 1022819879 /nfs/dbraw/zinc/81/98/79/1022819879.db2.gz WIHIIKPSQURYFO-QUCCMNQESA-N 1 3 338.495 4.258 20 0 EIADHO [NH3+]CCC[C@@H](NCc1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000415049965 1023408742 /nfs/dbraw/zinc/40/87/42/1023408742.db2.gz HYUUPUUAQRPHTG-CQSZACIVSA-N 1 3 328.403 4.337 20 0 EIADHO Cc1ccc(-c2ncc(CN[C@H](CCC[NH3+])c3ccccc3)s2)o1 ZINC000415044762 1023409253 /nfs/dbraw/zinc/40/92/53/1023409253.db2.gz BCMPDNRTZDOLJV-QGZVFWFLSA-N 1 3 341.480 4.281 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc2c(c1)CCC2 ZINC000656683463 1023430352 /nfs/dbraw/zinc/43/03/52/1023430352.db2.gz LVJUVNMRJUBZAW-GOSISDBHSA-N 1 3 349.522 4.133 20 0 EIADHO C[NH+](C)Cc1cccc(CNCc2ccccc2N2CCCCC2)c1 ZINC000893330100 1023488983 /nfs/dbraw/zinc/48/89/83/1023488983.db2.gz HADZCAYRFUBSHE-UHFFFAOYSA-N 1 3 337.511 4.028 20 0 EIADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000430750924 1024007527 /nfs/dbraw/zinc/00/75/27/1024007527.db2.gz QOJRTGZZCGJBAI-MTQWCTHYSA-N 1 3 348.481 4.312 20 0 EIADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000510750059 1024392220 /nfs/dbraw/zinc/39/22/20/1024392220.db2.gz LBFUXINEVUZRLL-HNNXBMFYSA-N 1 3 336.470 4.283 20 0 EIADHO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000548481305 1024825215 /nfs/dbraw/zinc/82/52/15/1024825215.db2.gz MWFKQSDJOWAXQU-BBTUJRGHSA-N 1 3 337.511 4.205 20 0 EIADHO Fc1cccc(Cl)c1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063551919 1024937588 /nfs/dbraw/zinc/93/75/88/1024937588.db2.gz LQTUJMWYEFHOGI-UHFFFAOYSA-N 1 3 346.877 4.481 20 0 EIADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccccc2C(C)(C)C)CC1 ZINC000535838444 1025103386 /nfs/dbraw/zinc/10/33/86/1025103386.db2.gz RWOXDENBKJNLGX-KRWDZBQOSA-N 1 3 332.532 4.136 20 0 EIADHO CC[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000162585988 1025160192 /nfs/dbraw/zinc/16/01/92/1025160192.db2.gz QVBLUBKEUBGELE-HXUWFJFHSA-N 1 3 330.447 4.007 20 0 EIADHO Cc1cccc2[nH]c(CNC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000657285883 1025612549 /nfs/dbraw/zinc/61/25/49/1025612549.db2.gz OJOUNPGUVWAECH-UHFFFAOYSA-N 1 3 333.479 4.231 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2Br)s1)[C@H](C)N ZINC000415014152 1025855602 /nfs/dbraw/zinc/85/56/02/1025855602.db2.gz LMDKTYVZBLAIPK-WDEREUQCSA-N 1 3 339.302 4.003 20 0 EIADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409158 1025878547 /nfs/dbraw/zinc/87/85/47/1025878547.db2.gz FGQFWCAWVCEDBS-MSOLQXFVSA-N 1 3 348.531 4.015 20 0 EIADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000432409158 1025878548 /nfs/dbraw/zinc/87/85/48/1025878548.db2.gz FGQFWCAWVCEDBS-MSOLQXFVSA-N 1 3 348.531 4.015 20 0 EIADHO CC(C)(C)OC1CC(CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000432420386 1025897615 /nfs/dbraw/zinc/89/76/15/1025897615.db2.gz KLKXEFUZGUYULA-UHFFFAOYSA-N 1 3 336.564 4.357 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000319789733 1025965197 /nfs/dbraw/zinc/96/51/97/1025965197.db2.gz HRIUYHHKZPACEA-OAHLLOKOSA-N 1 3 326.431 4.061 20 0 EIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000072097767 1026217804 /nfs/dbraw/zinc/21/78/04/1026217804.db2.gz SBFHMOFUFYYPSU-UHFFFAOYSA-N 1 3 326.459 4.170 20 0 EIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000072097767 1026217811 /nfs/dbraw/zinc/21/78/11/1026217811.db2.gz SBFHMOFUFYYPSU-UHFFFAOYSA-N 1 3 326.459 4.170 20 0 EIADHO CC[NH+](CC)CC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000506863587 1026482186 /nfs/dbraw/zinc/48/21/86/1026482186.db2.gz XKHINJDGVCZISI-UHFFFAOYSA-N 1 3 349.569 4.425 20 0 EIADHO CCOc1ccc([C@@H](CC)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000152466753 1026586644 /nfs/dbraw/zinc/58/66/44/1026586644.db2.gz ULVCCFQPFKQDSA-QFBILLFUSA-N 1 3 346.515 4.009 20 0 EIADHO CCOc1ccc([C@@H](CC)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1OCC ZINC000152466753 1026586650 /nfs/dbraw/zinc/58/66/50/1026586650.db2.gz ULVCCFQPFKQDSA-QFBILLFUSA-N 1 3 346.515 4.009 20 0 EIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512318485 1026687637 /nfs/dbraw/zinc/68/76/37/1026687637.db2.gz PSCVPWZULWJPBL-CSODHUTKSA-N 1 3 326.528 4.479 20 0 EIADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512318485 1026687644 /nfs/dbraw/zinc/68/76/44/1026687644.db2.gz PSCVPWZULWJPBL-CSODHUTKSA-N 1 3 326.528 4.479 20 0 EIADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H](c4cccnc4)C4CC4)[C@H]3C2)cc1 ZINC000507463488 1026804577 /nfs/dbraw/zinc/80/45/77/1026804577.db2.gz UCGSBTBJCOGUAY-MLCQCVOFSA-N 1 3 347.506 4.033 20 0 EIADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H](c4cccnc4)C4CC4)[C@H]3C2)cc1 ZINC000507463488 1026804586 /nfs/dbraw/zinc/80/45/86/1026804586.db2.gz UCGSBTBJCOGUAY-MLCQCVOFSA-N 1 3 347.506 4.033 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000582905797 1027648969 /nfs/dbraw/zinc/64/89/69/1027648969.db2.gz RIKINIDHRTZLGC-SFHVURJKSA-N 1 3 330.859 4.111 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](CNCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000582952356 1027753978 /nfs/dbraw/zinc/75/39/78/1027753978.db2.gz WFOMHDCJYMNBRT-SWLSCSKDSA-N 1 3 335.904 4.071 20 0 EIADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000123639967 1028082599 /nfs/dbraw/zinc/08/25/99/1028082599.db2.gz NADZHLOMDWOUSV-LJQANCHMSA-N 1 3 342.483 4.006 20 0 EIADHO COc1ccc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)c(F)c1 ZINC000583385821 1028636017 /nfs/dbraw/zinc/63/60/17/1028636017.db2.gz VOYVSYVMFKGMHU-MRXNPFEDSA-N 1 3 342.458 4.150 20 0 EIADHO COc1cc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1SC ZINC000126686868 1028657591 /nfs/dbraw/zinc/65/75/91/1028657591.db2.gz AXURZYIFVIDNTE-HZTRTUMWSA-N 1 3 334.529 4.083 20 0 EIADHO COc1cc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1SC ZINC000126686868 1028657596 /nfs/dbraw/zinc/65/75/96/1028657596.db2.gz AXURZYIFVIDNTE-HZTRTUMWSA-N 1 3 334.529 4.083 20 0 EIADHO Cc1cc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(C)c1O ZINC000583408121 1028669212 /nfs/dbraw/zinc/66/92/12/1028669212.db2.gz IYGRYYCDYREIEM-GOSISDBHSA-N 1 3 338.495 4.324 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cccc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000080338938 1028714976 /nfs/dbraw/zinc/71/49/76/1028714976.db2.gz IGFJWDKCVHPEHE-GCJKJVERSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@@H](NCc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000080338938 1028715000 /nfs/dbraw/zinc/71/50/00/1028715000.db2.gz IGFJWDKCVHPEHE-GCJKJVERSA-N 1 3 345.490 4.378 20 0 EIADHO COc1ccc([C@@H](NCCC2(C[NH3+])CC2)c2ccccc2Cl)cc1 ZINC000650745740 1029073770 /nfs/dbraw/zinc/07/37/70/1029073770.db2.gz MTQXCUOAMPKMFY-LJQANCHMSA-N 1 3 344.886 4.157 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2c1cccc2F ZINC000325233188 1029629970 /nfs/dbraw/zinc/62/99/70/1029629970.db2.gz BQICYSHKZADMPC-OAQYLSRUSA-N 1 3 326.459 4.445 20 0 EIADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000708528745 1029813388 /nfs/dbraw/zinc/81/33/88/1029813388.db2.gz IGKGJNJDPDFCDV-ZBFHGGJFSA-N 1 3 334.916 4.259 20 0 EIADHO C[N@@H+]1CC[C@@H](CNC/C=C/c2ccc(F)c(F)c2)[C@@H]1c1cccs1 ZINC000375751955 1029859767 /nfs/dbraw/zinc/85/97/67/1029859767.db2.gz YWUBBPJFJMGRDR-CILJEUCVSA-N 1 3 348.462 4.322 20 0 EIADHO C[N@H+]1CC[C@@H](CNC/C=C/c2ccc(F)c(F)c2)[C@@H]1c1cccs1 ZINC000375751955 1029859770 /nfs/dbraw/zinc/85/97/70/1029859770.db2.gz YWUBBPJFJMGRDR-CILJEUCVSA-N 1 3 348.462 4.322 20 0 EIADHO Cc1ccccc1C[NH+]1CCC(N[C@H](c2cccnc2)C(C)C)CC1 ZINC000091287536 1029882886 /nfs/dbraw/zinc/88/28/86/1029882886.db2.gz WZBJNBVSLPNMIT-QFIPXVFZSA-N 1 3 337.511 4.341 20 0 EIADHO Cc1sccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390846017 1030035457 /nfs/dbraw/zinc/03/54/57/1030035457.db2.gz FJQGZSMODPTHHC-IHWFROFDSA-N 1 3 326.509 4.342 20 0 EIADHO CCC[NH+]1CCC(N[C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000204974992 1030127900 /nfs/dbraw/zinc/12/79/00/1030127900.db2.gz OEEMLHHQHZVGKA-FQEVSTJZSA-N 1 3 325.500 4.318 20 0 EIADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1nc(-c2ccccc2)cs1 ZINC000447571452 1030156579 /nfs/dbraw/zinc/15/65/79/1030156579.db2.gz KEKAAJCBCWKFAY-HNNXBMFYSA-N 1 3 341.524 4.335 20 0 EIADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000685455691 1030340907 /nfs/dbraw/zinc/34/09/07/1030340907.db2.gz LFXUHYOGVFTFRB-SFMFPFJOSA-N 1 3 344.543 4.283 20 0 EIADHO CC(C)(C)N1CCC([NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000447818514 1030341368 /nfs/dbraw/zinc/34/13/68/1030341368.db2.gz TZSKZJBABSDPHH-UHFFFAOYSA-N 1 3 326.887 4.264 20 0 EIADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001168168618 1030397976 /nfs/dbraw/zinc/39/79/76/1030397976.db2.gz SWMSMBIFBHEBHZ-KRWDZBQOSA-N 1 3 342.914 4.307 20 0 EIADHO C[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000527111373 1030498648 /nfs/dbraw/zinc/49/86/48/1030498648.db2.gz UAGPOEQRTIZNDO-QUCCMNQESA-N 1 3 340.486 4.083 20 0 EIADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1coc2ccccc12 ZINC000398108252 1030698417 /nfs/dbraw/zinc/69/84/17/1030698417.db2.gz CDZZNAMKPLQJRD-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1coc2ccccc12 ZINC000398108252 1030698425 /nfs/dbraw/zinc/69/84/25/1030698425.db2.gz CDZZNAMKPLQJRD-LAUBAEHRSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000658064690 1030803392 /nfs/dbraw/zinc/80/33/92/1030803392.db2.gz QDBVLIPEOCQMGL-ZVXPMLRVSA-N 1 3 349.522 4.075 20 0 EIADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000658064687 1030803806 /nfs/dbraw/zinc/80/38/06/1030803806.db2.gz QDBVLIPEOCQMGL-KTDPBYDISA-N 1 3 349.522 4.075 20 0 EIADHO c1ccc([C@@H](CC2CC2)[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000658163902 1030860593 /nfs/dbraw/zinc/86/05/93/1030860593.db2.gz BXVKXBCSUKPBIQ-HSZRJFAPSA-N 1 3 349.522 4.425 20 0 EIADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCCC34CCCC4)CC2)ccn1 ZINC000658166939 1030863020 /nfs/dbraw/zinc/86/30/20/1030863020.db2.gz WNTJBSKAFKIORV-OAQYLSRUSA-N 1 3 341.543 4.386 20 0 EIADHO Cc1cncc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)c1 ZINC000658320181 1030977394 /nfs/dbraw/zinc/97/73/94/1030977394.db2.gz PLRQHZYWPSYAOD-KNQAVFIVSA-N 1 3 349.522 4.343 20 0 EIADHO CC[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319277 1030982497 /nfs/dbraw/zinc/98/24/97/1030982497.db2.gz YWDQQYRVJZEESP-FCHUYYIVSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319277 1030982516 /nfs/dbraw/zinc/98/25/16/1030982516.db2.gz YWDQQYRVJZEESP-FCHUYYIVSA-N 1 3 349.522 4.425 20 0 EIADHO CC[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccncc1 ZINC000658319277 1030982537 /nfs/dbraw/zinc/98/25/37/1030982537.db2.gz YWDQQYRVJZEESP-FCHUYYIVSA-N 1 3 349.522 4.425 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccccc1OCc1ccccc1 ZINC000532507300 1031229403 /nfs/dbraw/zinc/22/94/03/1031229403.db2.gz RGQQYFDMWJSTCR-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO COc1cccc2c(CNC[C@@H]3CCC[N@@H+](C(C)C)C3)cccc12 ZINC000449133308 1031469645 /nfs/dbraw/zinc/46/96/45/1031469645.db2.gz XXYBMWXJHQAYMA-KRWDZBQOSA-N 1 3 326.484 4.058 20 0 EIADHO COc1cccc2c(CNC[C@@H]3CCC[N@H+](C(C)C)C3)cccc12 ZINC000449133308 1031469659 /nfs/dbraw/zinc/46/96/59/1031469659.db2.gz XXYBMWXJHQAYMA-KRWDZBQOSA-N 1 3 326.484 4.058 20 0 EIADHO COc1cccc2c(C[NH2+]C[C@@H]3CCCN(C(C)C)C3)cccc12 ZINC000449133308 1031469665 /nfs/dbraw/zinc/46/96/65/1031469665.db2.gz XXYBMWXJHQAYMA-KRWDZBQOSA-N 1 3 326.484 4.058 20 0 EIADHO CCOc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976618 1031639705 /nfs/dbraw/zinc/63/97/05/1031639705.db2.gz RHBNPGFRESXPIY-UHFFFAOYSA-N 1 3 326.484 4.215 20 0 EIADHO CCOc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000065976618 1031639713 /nfs/dbraw/zinc/63/97/13/1031639713.db2.gz RHBNPGFRESXPIY-UHFFFAOYSA-N 1 3 326.484 4.215 20 0 EIADHO CC(C)[C@H](O)C1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453172019 1031680922 /nfs/dbraw/zinc/68/09/22/1031680922.db2.gz GAAZVVRKCUTCQO-SFHVURJKSA-N 1 3 338.580 4.052 20 0 EIADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234220 1031756792 /nfs/dbraw/zinc/75/67/92/1031756792.db2.gz ZQBOSQKDUWOVQR-SFTDATJTSA-N 1 3 337.511 4.423 20 0 EIADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234220 1031756800 /nfs/dbraw/zinc/75/68/00/1031756800.db2.gz ZQBOSQKDUWOVQR-SFTDATJTSA-N 1 3 337.511 4.423 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000531980182 1031927876 /nfs/dbraw/zinc/92/78/76/1031927876.db2.gz AOEPSNZGRMTPHM-GCJKJVERSA-N 1 3 337.511 4.274 20 0 EIADHO CCN(c1ccccc1)c1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000531980182 1031927900 /nfs/dbraw/zinc/92/79/00/1031927900.db2.gz AOEPSNZGRMTPHM-GCJKJVERSA-N 1 3 337.511 4.274 20 0 EIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)C(C)(C)O)CC1 ZINC000449728501 1031956505 /nfs/dbraw/zinc/95/65/05/1031956505.db2.gz VTUJWDYAYOODDO-UHFFFAOYSA-N 1 3 326.569 4.052 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001168264687 1032027682 /nfs/dbraw/zinc/02/76/82/1032027682.db2.gz LTKYTYDHUCOSQM-WIYYLYMNSA-N 1 3 326.528 4.433 20 0 EIADHO CC(C)(C)c1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001168264687 1032027694 /nfs/dbraw/zinc/02/76/94/1032027694.db2.gz LTKYTYDHUCOSQM-WIYYLYMNSA-N 1 3 326.528 4.433 20 0 EIADHO C[C@@H](NCCc1c(F)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424367 1032054521 /nfs/dbraw/zinc/05/45/21/1032054521.db2.gz LGDLBJZRLUBRJV-HUUCEWRRSA-N 1 3 338.898 4.264 20 0 EIADHO C[C@@H](NCCc1c(F)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424367 1032054544 /nfs/dbraw/zinc/05/45/44/1032054544.db2.gz LGDLBJZRLUBRJV-HUUCEWRRSA-N 1 3 338.898 4.264 20 0 EIADHO CSCc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000512977694 1034277586 /nfs/dbraw/zinc/27/75/86/1034277586.db2.gz QFUFCPAKVUORFD-UHFFFAOYSA-N 1 3 340.536 4.304 20 0 EIADHO CCC(CC)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000513414548 1034933805 /nfs/dbraw/zinc/93/38/05/1034933805.db2.gz OHAVKTNDUUTKGT-PZJWPPBQSA-N 1 3 336.564 4.357 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000501771630 1035574560 /nfs/dbraw/zinc/57/45/60/1035574560.db2.gz DFSXPTAIVAZJFI-UHFFFAOYSA-N 1 3 345.462 4.035 20 0 EIADHO C[NH+](C)CCCC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000501777349 1035585113 /nfs/dbraw/zinc/58/51/13/1035585113.db2.gz QGWNXRBLCQXHAY-UHFFFAOYSA-N 1 3 345.918 4.442 20 0 EIADHO Fc1ccc(CCNC2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC000571488747 1036054601 /nfs/dbraw/zinc/05/46/01/1036054601.db2.gz SFKRHWVILQOWOU-UHFFFAOYSA-N 1 3 338.898 4.266 20 0 EIADHO Fc1ccc(CC[NH2+]C2CCN(CC3CCCC3)CC2)c(Cl)c1 ZINC000571488747 1036054626 /nfs/dbraw/zinc/05/46/26/1036054626.db2.gz SFKRHWVILQOWOU-UHFFFAOYSA-N 1 3 338.898 4.266 20 0 EIADHO COc1ccc(C2CCC([NH2+]C[C@@H]3CCN(C(C)C)C3)CC2)cc1 ZINC000571807298 1036258930 /nfs/dbraw/zinc/25/89/30/1036258930.db2.gz XWHHSHZXOHLBSZ-ZJRDLVKKSA-N 1 3 330.516 4.041 20 0 EIADHO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CCN(CC2CC2)CC1 ZINC001168387311 1036681523 /nfs/dbraw/zinc/68/15/23/1036681523.db2.gz CMBZBDVHCNVWGZ-UHFFFAOYSA-N 1 3 326.406 4.012 20 0 EIADHO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CCN(CC2CC2)CC1 ZINC001168387311 1036681537 /nfs/dbraw/zinc/68/15/37/1036681537.db2.gz CMBZBDVHCNVWGZ-UHFFFAOYSA-N 1 3 326.406 4.012 20 0 EIADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1csc(-c2ccccc2F)n1 ZINC000421868869 1036839705 /nfs/dbraw/zinc/83/97/05/1036839705.db2.gz CTCSSJUTNJTSRY-WLYUNCDWSA-N 1 3 347.503 4.473 20 0 EIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3cccc4[nH]ccc43)CC2)C1 ZINC000503116685 1036928714 /nfs/dbraw/zinc/92/87/14/1036928714.db2.gz HLQZNHXIXHROAW-YLJYHZDGSA-N 1 3 339.527 4.343 20 0 EIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3cccc4[nH]ccc43)CC2)C1 ZINC000503116684 1036930283 /nfs/dbraw/zinc/93/02/83/1036930283.db2.gz HLQZNHXIXHROAW-XLIONFOSSA-N 1 3 339.527 4.343 20 0 EIADHO C[NH+](C)CC[C@H](NCc1cccc(OCC(F)(F)F)c1)C(C)(C)C ZINC000604770682 1037511094 /nfs/dbraw/zinc/51/10/94/1037511094.db2.gz BBQMNVJIXKSRPI-INIZCTEOSA-N 1 3 346.437 4.084 20 0 EIADHO C[NH+](C)CC[C@@H](NCc1cccc(OCC(F)(F)F)c1)C(C)(C)C ZINC000604770685 1037511485 /nfs/dbraw/zinc/51/14/85/1037511485.db2.gz BBQMNVJIXKSRPI-MRXNPFEDSA-N 1 3 346.437 4.084 20 0 EIADHO c1ccc([C@H]2C[C@H](NCc3ccc(-c4ccncc4)cc3)CC[NH2+]2)cc1 ZINC000422773189 1037830468 /nfs/dbraw/zinc/83/04/68/1037830468.db2.gz TXUVACJESDDCPT-DHIUTWEWSA-N 1 3 343.474 4.332 20 0 EIADHO Cc1ccc([C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422813367 1037839383 /nfs/dbraw/zinc/83/93/83/1037839383.db2.gz RQWYTOFKZCESFC-PUHATCMVSA-N 1 3 348.490 4.292 20 0 EIADHO c1ccc(SC2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000422910673 1037866217 /nfs/dbraw/zinc/86/62/17/1037866217.db2.gz RGTGEYDEPNSMEX-CEXWTWQISA-N 1 3 330.541 4.212 20 0 EIADHO Cc1cc(C)cc([C@H](C)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422891482 1037868039 /nfs/dbraw/zinc/86/80/39/1037868039.db2.gz VKPCHDXDGVPKFG-WEYGHZABSA-N 1 3 336.479 4.210 20 0 EIADHO c1ccc2c(c1)cccc2CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924189 1037870454 /nfs/dbraw/zinc/87/04/54/1037870454.db2.gz YCVQWZXZVBAFHM-FYYLOGMGSA-N 1 3 344.458 4.185 20 0 EIADHO Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422974244 1037893303 /nfs/dbraw/zinc/89/33/03/1037893303.db2.gz QQCCNPFJCGUWQA-KBXCAEBGSA-N 1 3 327.472 4.114 20 0 EIADHO c1ccc(-c2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)nc1 ZINC000422997589 1037897308 /nfs/dbraw/zinc/89/73/08/1037897308.db2.gz OLXKLVUDFPKWAL-KSEOMHKRSA-N 1 3 335.495 4.149 20 0 EIADHO CC(C)c1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423050404 1037911216 /nfs/dbraw/zinc/91/12/16/1037911216.db2.gz LDUURPAKVMHHGF-UNMCSNQZSA-N 1 3 336.479 4.156 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000423033545 1037914778 /nfs/dbraw/zinc/91/47/78/1037914778.db2.gz OPVHVJQEVMJDEO-STJZUHDESA-N 1 3 341.474 4.365 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423056284 1037923306 /nfs/dbraw/zinc/92/33/06/1037923306.db2.gz XXIPLWAGYFKRQP-LBPRGKRZSA-N 1 3 349.881 4.270 20 0 EIADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000574226558 1037955151 /nfs/dbraw/zinc/95/51/51/1037955151.db2.gz LXEUECOKWKUMSH-OTWHNJEPSA-N 1 3 348.531 4.014 20 0 EIADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000574226557 1037955891 /nfs/dbraw/zinc/95/58/91/1037955891.db2.gz LXEUECOKWKUMSH-FHWLQOOXSA-N 1 3 348.531 4.014 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423100303 1037959675 /nfs/dbraw/zinc/95/96/75/1037959675.db2.gz VCPJDHIYANZKPY-YEWWUXTCSA-N 1 3 329.875 4.099 20 0 EIADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146209 1038000467 /nfs/dbraw/zinc/00/04/67/1038000467.db2.gz OPPUROHPGBOIAQ-JWWIWJDOSA-N 1 3 328.887 4.134 20 0 EIADHO [NH3+][C@@H]1C[C@H](N2CCC(Cc3cccc(F)c3F)CC2)c2ccccc21 ZINC000423153205 1038007784 /nfs/dbraw/zinc/00/77/84/1038007784.db2.gz GXSWJBUFXHHVMU-UXHICEINSA-N 1 3 342.433 4.364 20 0 EIADHO C[C@@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423170477 1038023680 /nfs/dbraw/zinc/02/36/80/1038023680.db2.gz MDZNLDSIVONFDC-HEFCMCLBSA-N 1 3 342.870 4.247 20 0 EIADHO C[C@@H](NCCC[NH3+])c1ccc(-c2ccccc2Br)s1 ZINC000423178940 1038033047 /nfs/dbraw/zinc/03/30/47/1038033047.db2.gz LJTVGUZISVBOHA-LLVKDONJSA-N 1 3 339.302 4.177 20 0 EIADHO CN(CCCOc1cccc(C(C)(C)C)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358494 1038076482 /nfs/dbraw/zinc/07/64/82/1038076482.db2.gz PGUNULQIPFHEAM-GOSISDBHSA-N 1 3 332.532 4.027 20 0 EIADHO CN(CCCOc1cccc(C(C)(C)C)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358494 1038076504 /nfs/dbraw/zinc/07/65/04/1038076504.db2.gz PGUNULQIPFHEAM-GOSISDBHSA-N 1 3 332.532 4.027 20 0 EIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Br)s1 ZINC000423290405 1038092391 /nfs/dbraw/zinc/09/23/91/1038092391.db2.gz CUVGXUFCAPPGSY-WDEREUQCSA-N 1 3 339.302 4.381 20 0 EIADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423304354 1038128749 /nfs/dbraw/zinc/12/87/49/1038128749.db2.gz YKPFDRSDZJPIPR-FZMZJTMJSA-N 1 3 335.904 4.025 20 0 EIADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423304353 1038130438 /nfs/dbraw/zinc/13/04/38/1038130438.db2.gz YKPFDRSDZJPIPR-BXUZGUMPSA-N 1 3 335.904 4.025 20 0 EIADHO Clc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423363651 1038179865 /nfs/dbraw/zinc/17/98/65/1038179865.db2.gz AEKWDMRWQRSHDF-KRWDZBQOSA-N 1 3 330.884 4.270 20 0 EIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCN1 ZINC000423385833 1038194395 /nfs/dbraw/zinc/19/43/95/1038194395.db2.gz RCCHAWSARPKDGS-BASLNEPJSA-N 1 3 326.406 4.072 20 0 EIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423499460 1038255214 /nfs/dbraw/zinc/25/52/14/1038255214.db2.gz AYPYWIDUSATFRY-OXJNMPFZSA-N 1 3 326.488 4.129 20 0 EIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423513982 1038270021 /nfs/dbraw/zinc/27/00/21/1038270021.db2.gz WCAYHBXRBMDFFY-BEFAXECRSA-N 1 3 329.463 4.023 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000574747779 1038322934 /nfs/dbraw/zinc/32/29/34/1038322934.db2.gz GPNBFJYLIVQSCH-HNNXBMFYSA-N 1 3 343.902 4.318 20 0 EIADHO C[C@@H](N[C@H]1CSCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924850102 1038327702 /nfs/dbraw/zinc/32/77/02/1038327702.db2.gz QURGSSKUBFBGLA-QRWLVFNGSA-N 1 3 326.509 4.387 20 0 EIADHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490584 1038373206 /nfs/dbraw/zinc/37/32/06/1038373206.db2.gz PQUAVBXCPFGALY-VQIMIIECSA-N 1 3 343.902 4.220 20 0 EIADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)nc2)CCN1Cc1ccccc1 ZINC000173490584 1038373220 /nfs/dbraw/zinc/37/32/20/1038373220.db2.gz PQUAVBXCPFGALY-VQIMIIECSA-N 1 3 343.902 4.220 20 0 EIADHO CCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1OC ZINC000539252276 1038896792 /nfs/dbraw/zinc/89/67/92/1038896792.db2.gz ILKJDAFIPRPSJX-AEFFLSMTSA-N 1 3 334.504 4.009 20 0 EIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035715 1038984278 /nfs/dbraw/zinc/98/42/78/1038984278.db2.gz IGUNJUIRFCEASP-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035715 1038984289 /nfs/dbraw/zinc/98/42/89/1038984289.db2.gz IGUNJUIRFCEASP-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000481035715 1038984298 /nfs/dbraw/zinc/98/42/98/1038984298.db2.gz IGUNJUIRFCEASP-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)C1 ZINC000481039923 1038988334 /nfs/dbraw/zinc/98/83/34/1038988334.db2.gz QINATYYIUFKGPW-KPFFTGBYSA-N 1 3 348.506 4.182 20 0 EIADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1OCC(C)C ZINC000414809736 1039034566 /nfs/dbraw/zinc/03/45/66/1039034566.db2.gz MWVMWZOAINXSLI-INIZCTEOSA-N 1 3 342.483 4.040 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000481322927 1039292523 /nfs/dbraw/zinc/29/25/23/1039292523.db2.gz NYEMHFXCEYJGSL-MGPQQGTHSA-N 1 3 345.314 4.081 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000481339687 1039319894 /nfs/dbraw/zinc/31/98/94/1039319894.db2.gz QZXOQCIGDRZKGU-GOEBONIOSA-N 1 3 326.937 4.142 20 0 EIADHO Cc1cc(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc(C)c1O ZINC000470132796 1039425542 /nfs/dbraw/zinc/42/55/42/1039425542.db2.gz LPAKSRDOOMWUCN-KKSFZXQISA-N 1 3 344.543 4.184 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC(F)F)cc1 ZINC000482328907 1040180479 /nfs/dbraw/zinc/18/04/79/1040180479.db2.gz IVLIDVYIAYJZSV-YJBOKZPZSA-N 1 3 340.458 4.449 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000514820439 1040272341 /nfs/dbraw/zinc/27/23/41/1040272341.db2.gz MMJJLVIZNWDSHU-YLJYHZDGSA-N 1 3 343.559 4.300 20 0 EIADHO CC(C)[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000479461029 1040370245 /nfs/dbraw/zinc/37/02/45/1040370245.db2.gz AQMLGMKUMBHULA-RXVVDRJESA-N 1 3 341.474 4.030 20 0 EIADHO C[C@H](NC1(c2ccc(F)cc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000539657114 1040651646 /nfs/dbraw/zinc/65/16/46/1040651646.db2.gz TVKFEHAMAZETCT-INIZCTEOSA-N 1 3 342.458 4.106 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@H](C)C1 ZINC000539835703 1040828091 /nfs/dbraw/zinc/82/80/91/1040828091.db2.gz PAMZFRRVIUKVTQ-APWZRJJASA-N 1 3 343.540 4.281 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@H](C)C1 ZINC000539835703 1040828097 /nfs/dbraw/zinc/82/80/97/1040828097.db2.gz PAMZFRRVIUKVTQ-APWZRJJASA-N 1 3 343.540 4.281 20 0 EIADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479438 1040872900 /nfs/dbraw/zinc/87/29/00/1040872900.db2.gz DWSGJCBCXCTQIF-RBBKRZOGSA-N 1 3 338.495 4.025 20 0 EIADHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479438 1040872906 /nfs/dbraw/zinc/87/29/06/1040872906.db2.gz DWSGJCBCXCTQIF-RBBKRZOGSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479438 1040872918 /nfs/dbraw/zinc/87/29/18/1040872918.db2.gz DWSGJCBCXCTQIF-RBBKRZOGSA-N 1 3 338.495 4.025 20 0 EIADHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc4ccccc4c3)CC[C@H]21 ZINC000483479438 1040872922 /nfs/dbraw/zinc/87/29/22/1040872922.db2.gz DWSGJCBCXCTQIF-RBBKRZOGSA-N 1 3 338.495 4.025 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903090961 1040898728 /nfs/dbraw/zinc/89/87/28/1040898728.db2.gz KAKOUIHRIQXDMR-UTKZUKDTSA-N 1 3 348.506 4.003 20 0 EIADHO CC[NH+]1CCC(CCN[C@H](C)c2ccccc2Br)CC1 ZINC000483722467 1040972473 /nfs/dbraw/zinc/97/24/73/1040972473.db2.gz DIYZXVICCHAIQY-CQSZACIVSA-N 1 3 339.321 4.222 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)C2)cc1 ZINC000436241153 1040990543 /nfs/dbraw/zinc/99/05/43/1040990543.db2.gz QNCYICSGDBNDEB-YFNKSVMNSA-N 1 3 348.534 4.477 20 0 EIADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)c2c[nH]c3ccccc32)C1 ZINC000462889308 1041051057 /nfs/dbraw/zinc/05/10/57/1041051057.db2.gz SJINKFOZHFMYAK-DLBZAZTESA-N 1 3 327.516 4.156 20 0 EIADHO C[N@@H+]1CCC[C@@H](CNc2ccnc3ccccc32)[C@@H]1c1cccs1 ZINC000462880166 1041063442 /nfs/dbraw/zinc/06/34/42/1041063442.db2.gz AYCYIJGZNYDHIW-MGPUTAFESA-N 1 3 337.492 4.213 20 0 EIADHO C[N@H+]1CCC[C@@H](CNc2ccnc3ccccc32)[C@@H]1c1cccs1 ZINC000462880166 1041063459 /nfs/dbraw/zinc/06/34/59/1041063459.db2.gz AYCYIJGZNYDHIW-MGPUTAFESA-N 1 3 337.492 4.213 20 0 EIADHO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)ccc1OC(C)C ZINC000538154821 1041097913 /nfs/dbraw/zinc/09/79/13/1041097913.db2.gz MTNAIKQHBRTUQQ-WMZOPIPTSA-N 1 3 334.504 4.007 20 0 EIADHO CCCC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000540158215 1041185424 /nfs/dbraw/zinc/18/54/24/1041185424.db2.gz SPLAHUJQBZULJV-FDFHNCONSA-N 1 3 344.543 4.275 20 0 EIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148279 1041194273 /nfs/dbraw/zinc/19/42/73/1041194273.db2.gz YKEWNEZPRJDYCY-UZLBHIALSA-N 1 3 326.509 4.268 20 0 EIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(Sc2ccccc2)cc1 ZINC000540148279 1041194285 /nfs/dbraw/zinc/19/42/85/1041194285.db2.gz YKEWNEZPRJDYCY-UZLBHIALSA-N 1 3 326.509 4.268 20 0 EIADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000484316752 1041207498 /nfs/dbraw/zinc/20/74/98/1041207498.db2.gz ZOTCIHCIKUFDQS-GXTWGEPZSA-N 1 3 333.303 4.001 20 0 EIADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)s1 ZINC000540172344 1041216083 /nfs/dbraw/zinc/21/60/83/1041216083.db2.gz AHHVLYODOODIHU-KFWWJZLASA-N 1 3 344.952 4.332 20 0 EIADHO CC(C)CC[C@H](C)[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000538268474 1041228309 /nfs/dbraw/zinc/22/83/09/1041228309.db2.gz IPWGAYMBBALKIE-HKUYNNGSSA-N 1 3 330.516 4.389 20 0 EIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)C1 ZINC000484472559 1041247293 /nfs/dbraw/zinc/24/72/93/1041247293.db2.gz KVMMPHJPXGJDCA-JJRVBVJISA-N 1 3 342.405 4.035 20 0 EIADHO CC(C)(C[NH3+])C1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000904442707 1041487065 /nfs/dbraw/zinc/48/70/65/1041487065.db2.gz FETKOJNLPUKDBB-UHFFFAOYSA-N 1 3 335.542 4.069 20 0 EIADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000480732573 1041497084 /nfs/dbraw/zinc/49/70/84/1041497084.db2.gz SOZSITHMHXIRFA-VMXMFDLUSA-N 1 3 336.564 4.213 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cccc(F)c2)cc1 ZINC000480739388 1041512297 /nfs/dbraw/zinc/51/22/97/1041512297.db2.gz SHZRMQDGXXDRJN-KRWDZBQOSA-N 1 3 344.474 4.397 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040590 1041616615 /nfs/dbraw/zinc/61/66/15/1041616615.db2.gz DNZHJXOMVWBMAS-JENIJYKNSA-N 1 3 341.474 4.172 20 0 EIADHO C[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(F)cn1 ZINC000539040590 1041616619 /nfs/dbraw/zinc/61/66/19/1041616619.db2.gz DNZHJXOMVWBMAS-JENIJYKNSA-N 1 3 341.474 4.172 20 0 EIADHO [NH3+][C@@H]1CCC[C@@H](NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000414909756 1041855310 /nfs/dbraw/zinc/85/53/10/1041855310.db2.gz CKIUBBMSXKSADX-CHWSQXEVSA-N 1 3 340.311 4.084 20 0 EIADHO c1ccc(OCCCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000438121442 1042062094 /nfs/dbraw/zinc/06/20/94/1042062094.db2.gz PKEDYNLRPXFFJI-DENIHFKCSA-N 1 3 342.527 4.184 20 0 EIADHO c1ccc(OCCCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000438121442 1042062101 /nfs/dbraw/zinc/06/21/01/1042062101.db2.gz PKEDYNLRPXFFJI-DENIHFKCSA-N 1 3 342.527 4.184 20 0 EIADHO C[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)CN(C)C ZINC000425955487 1042078906 /nfs/dbraw/zinc/07/89/06/1042078906.db2.gz ZYPGDKRCFKQRHJ-BBRMVZONSA-N 1 3 347.503 4.114 20 0 EIADHO CCC(CC)(CNC1CC(n2cccn2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000638638498 1042735603 /nfs/dbraw/zinc/73/56/03/1042735603.db2.gz DNKQCRXUTCBNRV-KKXNLOMOSA-N 1 3 340.515 4.086 20 0 EIADHO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310970371 1042848685 /nfs/dbraw/zinc/84/86/85/1042848685.db2.gz DDQQVYWGAWSCGW-QUCCMNQESA-N 1 3 338.495 4.176 20 0 EIADHO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311069185 1042852487 /nfs/dbraw/zinc/85/24/87/1042852487.db2.gz YRHGWQOOVUJSEN-FQEVSTJZSA-N 1 3 338.495 4.086 20 0 EIADHO C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311129923 1042853550 /nfs/dbraw/zinc/85/35/50/1042853550.db2.gz WJBKMGOAOKRSBJ-MJGOQNOKSA-N 1 3 334.463 4.433 20 0 EIADHO CCc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000309862454 1043084606 /nfs/dbraw/zinc/08/46/06/1043084606.db2.gz DOIGIMJMPNFNCI-GOSISDBHSA-N 1 3 328.525 4.312 20 0 EIADHO CCc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309862454 1043084617 /nfs/dbraw/zinc/08/46/17/1043084617.db2.gz DOIGIMJMPNFNCI-GOSISDBHSA-N 1 3 328.525 4.312 20 0 EIADHO Cc1cncc([C@@H](C)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000184265857 1043086392 /nfs/dbraw/zinc/08/63/92/1043086392.db2.gz VRPUQTYFPZAWMN-LJQANCHMSA-N 1 3 337.511 4.473 20 0 EIADHO C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311138178 1043225085 /nfs/dbraw/zinc/22/50/85/1043225085.db2.gz YESBTBOHVFOTRS-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2[nH]ccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311138178 1043225099 /nfs/dbraw/zinc/22/50/99/1043225099.db2.gz YESBTBOHVFOTRS-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO C[C@@H](NCc1ccc2[nH]ccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311138178 1043225115 /nfs/dbraw/zinc/22/51/15/1043225115.db2.gz YESBTBOHVFOTRS-DYESRHJHSA-N 1 3 333.479 4.168 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)[C@H](C)C2 ZINC000665273490 1043508782 /nfs/dbraw/zinc/50/87/82/1043508782.db2.gz XYEDBKUSCRSIGP-AVPCASRZSA-N 1 3 348.490 4.074 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3cccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000674336105 1043604579 /nfs/dbraw/zinc/60/45/79/1043604579.db2.gz ZAMKKSBYZHQQOB-AVRDEDQJSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]1C[C@@H](NCc2ccc3cccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000674336105 1043604618 /nfs/dbraw/zinc/60/46/18/1043604618.db2.gz ZAMKKSBYZHQQOB-AVRDEDQJSA-N 1 3 345.490 4.378 20 0 EIADHO COCCC[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(F)cc1 ZINC000442643871 1043791204 /nfs/dbraw/zinc/79/12/04/1043791204.db2.gz GUQVXWVGZAZQDG-HXUWFJFHSA-N 1 3 336.495 4.005 20 0 EIADHO CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000658166706 1043942030 /nfs/dbraw/zinc/94/20/30/1043942030.db2.gz OEVQLQIBJDOVFN-JOCHJYFZSA-N 1 3 337.511 4.425 20 0 EIADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000658166793 1043943256 /nfs/dbraw/zinc/94/32/56/1043943256.db2.gz OZLOIYJLXRBMRR-KRWDZBQOSA-N 1 3 349.478 4.391 20 0 EIADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000226313305 1044119988 /nfs/dbraw/zinc/11/99/88/1044119988.db2.gz GMPIIBFRLPIIPQ-CQSZACIVSA-N 1 3 339.321 4.220 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1 ZINC000348008054 1044360498 /nfs/dbraw/zinc/36/04/98/1044360498.db2.gz OESZMOOTNXPZQK-OXQOHEQNSA-N 1 3 342.531 4.198 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc21 ZINC000327016913 1044404645 /nfs/dbraw/zinc/40/46/45/1044404645.db2.gz HMJOJOWVVUOPHZ-SJLPKXTDSA-N 1 3 335.495 4.387 20 0 EIADHO CCn1c2ccccc2c2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc21 ZINC000327016913 1044404664 /nfs/dbraw/zinc/40/46/64/1044404664.db2.gz HMJOJOWVVUOPHZ-SJLPKXTDSA-N 1 3 335.495 4.387 20 0 EIADHO C[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1)CN1CCCCC1 ZINC000494926700 1044524187 /nfs/dbraw/zinc/52/41/87/1044524187.db2.gz YSMOKHMCHGJFCK-LVCYWYKZSA-N 1 3 348.506 4.005 20 0 EIADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000675897598 1044545110 /nfs/dbraw/zinc/54/51/10/1044545110.db2.gz HEQAPAHQZUHIOA-SJLPKXTDSA-N 1 3 340.433 4.054 20 0 EIADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000675897598 1044545127 /nfs/dbraw/zinc/54/51/27/1044545127.db2.gz HEQAPAHQZUHIOA-SJLPKXTDSA-N 1 3 340.433 4.054 20 0 EIADHO C[C@H](NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N)cc1 ZINC001168028532 1044743109 /nfs/dbraw/zinc/74/31/09/1044743109.db2.gz PGIKSLUUXRPRBE-BZSNNMDCSA-N 1 3 337.511 4.361 20 0 EIADHO C[C@H]1CC([NH2+]Cc2cncc(Cl)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168028703 1044748868 /nfs/dbraw/zinc/74/88/68/1044748868.db2.gz QGEUYLAMUQNHSJ-HOTGVXAUSA-N 1 3 343.902 4.266 20 0 EIADHO Fc1ccc2nc(CNCCCCC[NH+]3CCCCC3)sc2c1 ZINC000428877134 1044803906 /nfs/dbraw/zinc/80/39/06/1044803906.db2.gz SIMZMIHCRVMCQB-UHFFFAOYSA-N 1 3 335.492 4.181 20 0 EIADHO Fc1cc2c(c(F)c1)CC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000154531940 1044946043 /nfs/dbraw/zinc/94/60/43/1044946043.db2.gz HMJUUNNVYHCEFY-NRFANRHFSA-N 1 3 342.433 4.338 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000347922382 1045142391 /nfs/dbraw/zinc/14/23/91/1045142391.db2.gz OEEUACKJDZNJQA-BZSNNMDCSA-N 1 3 340.515 4.094 20 0 EIADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000347922382 1045142402 /nfs/dbraw/zinc/14/24/02/1045142402.db2.gz OEEUACKJDZNJQA-BZSNNMDCSA-N 1 3 340.515 4.094 20 0 EIADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cccc3cc[nH]c32)CC1 ZINC000237520530 1045388674 /nfs/dbraw/zinc/38/86/74/1045388674.db2.gz YXJNMQLDPVLTFY-KRWDZBQOSA-N 1 3 333.479 4.483 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398025059 1045823246 /nfs/dbraw/zinc/82/32/46/1045823246.db2.gz CATARXGKWSWIJB-SPEDKVCISA-N 1 3 338.495 4.256 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000398025059 1045823254 /nfs/dbraw/zinc/82/32/54/1045823254.db2.gz CATARXGKWSWIJB-SPEDKVCISA-N 1 3 338.495 4.256 20 0 EIADHO Cc1nc2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2[nH]1 ZINC001170330616 1046001016 /nfs/dbraw/zinc/00/10/16/1046001016.db2.gz CUNBLIHBNTWHEN-OWZKRDHZSA-N 1 3 346.478 4.479 20 0 EIADHO Cc1nc2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2[nH]1 ZINC001170330616 1046001037 /nfs/dbraw/zinc/00/10/37/1046001037.db2.gz CUNBLIHBNTWHEN-OWZKRDHZSA-N 1 3 346.478 4.479 20 0 EIADHO CCN1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)s2)C[C@H]1C ZINC000536662002 1046632205 /nfs/dbraw/zinc/63/22/05/1046632205.db2.gz JXYWTJNXUBXDQY-OLZOCXBDSA-N 1 3 345.350 4.124 20 0 EIADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)s2)C[C@H]1C ZINC000536662002 1046632211 /nfs/dbraw/zinc/63/22/11/1046632211.db2.gz JXYWTJNXUBXDQY-OLZOCXBDSA-N 1 3 345.350 4.124 20 0 EIADHO C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000459434933 1046647774 /nfs/dbraw/zinc/64/77/74/1046647774.db2.gz VOBYAXYGIDRIDZ-ZDUSSCGKSA-N 1 3 333.838 4.194 20 0 EIADHO CCOc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379643035 1046736854 /nfs/dbraw/zinc/73/68/54/1046736854.db2.gz ASJQLZYYGUZDMV-RXVVDRJESA-N 1 3 338.495 4.228 20 0 EIADHO CCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379643035 1046736872 /nfs/dbraw/zinc/73/68/72/1046736872.db2.gz ASJQLZYYGUZDMV-RXVVDRJESA-N 1 3 338.495 4.228 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379657622 1046759606 /nfs/dbraw/zinc/75/96/06/1046759606.db2.gz UAPVFNOKVQHUJN-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO COc1cccc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379657622 1046759620 /nfs/dbraw/zinc/75/96/20/1046759620.db2.gz UAPVFNOKVQHUJN-LQWHRVPQSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000536858421 1046827094 /nfs/dbraw/zinc/82/70/94/1046827094.db2.gz PAMQFKQKVYGUHK-RVEPMOMFSA-N 1 3 344.543 4.192 20 0 EIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(OCC2CC2)c(F)c1 ZINC000537123100 1046951017 /nfs/dbraw/zinc/95/10/17/1046951017.db2.gz CMRWDMLZFHNVEX-CRAIPNDOSA-N 1 3 334.479 4.140 20 0 EIADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000537160733 1046996074 /nfs/dbraw/zinc/99/60/74/1046996074.db2.gz GNFZKWUUZQXYLP-QWFCFKBJSA-N 1 3 342.527 4.391 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497839062 1047116279 /nfs/dbraw/zinc/11/62/79/1047116279.db2.gz FTLPMRFFWXGHGJ-UTKZUKDTSA-N 1 3 330.491 4.472 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000788482684 1047213406 /nfs/dbraw/zinc/21/34/06/1047213406.db2.gz QLFJBWRDWADLMA-ZWKOTPCHSA-N 1 3 338.561 4.148 20 0 EIADHO CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CCS1 ZINC000897788144 1047482804 /nfs/dbraw/zinc/48/28/04/1047482804.db2.gz CCRSPCXHWVEFCA-HAGHYFMRSA-N 1 3 344.568 4.303 20 0 EIADHO CC[NH+](CC)CCCNC1CC(c2ccc(Br)cc2)C1 ZINC000036842394 1047486642 /nfs/dbraw/zinc/48/66/42/1047486642.db2.gz FCTVEIJLOLTBOE-UHFFFAOYSA-N 1 3 339.321 4.017 20 0 EIADHO CCN(CC)CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000036842394 1047486663 /nfs/dbraw/zinc/48/66/63/1047486663.db2.gz FCTVEIJLOLTBOE-UHFFFAOYSA-N 1 3 339.321 4.017 20 0 EIADHO CC(C)Oc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550606176 1047746392 /nfs/dbraw/zinc/74/63/92/1047746392.db2.gz FNEDSKRBVSTLST-IFMALSPDSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)Oc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550606176 1047746402 /nfs/dbraw/zinc/74/64/02/1047746402.db2.gz FNEDSKRBVSTLST-IFMALSPDSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550606179 1047747654 /nfs/dbraw/zinc/74/76/54/1047747654.db2.gz FNEDSKRBVSTLST-UNMCSNQZSA-N 1 3 338.495 4.399 20 0 EIADHO CC(C)Oc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550606179 1047747667 /nfs/dbraw/zinc/74/76/67/1047747667.db2.gz FNEDSKRBVSTLST-UNMCSNQZSA-N 1 3 338.495 4.399 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000763435103 1047804749 /nfs/dbraw/zinc/80/47/49/1047804749.db2.gz YZZGPKOSEOTUKB-ZBFHGGJFSA-N 1 3 333.347 4.157 20 0 EIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000763435103 1047804750 /nfs/dbraw/zinc/80/47/50/1047804750.db2.gz YZZGPKOSEOTUKB-ZBFHGGJFSA-N 1 3 333.347 4.157 20 0 EIADHO CN(Cc1cc2cc(Cl)cnc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000824383505 1047864194 /nfs/dbraw/zinc/86/41/94/1047864194.db2.gz OIURGONGMMIDPH-UHFFFAOYSA-N 1 3 343.858 4.175 20 0 EIADHO CC1(C)[C@@H]2C[C@H]([NH2+]CC3CCN(Cc4ccccc4F)CC3)C[C@@H]21 ZINC001170732307 1047878118 /nfs/dbraw/zinc/87/81/18/1047878118.db2.gz YBQVRSMTBDUVNE-REPLKXPHSA-N 1 3 330.491 4.062 20 0 EIADHO Cc1ccc2c(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCCN3C)c[nH]c2c1 ZINC001136974963 1048007400 /nfs/dbraw/zinc/00/74/00/1048007400.db2.gz UODJLYRFOATTPF-RBUKOAKNSA-N 1 3 325.500 4.315 20 0 EIADHO Cc1ccc2c(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCCN3C)c[nH]c2c1 ZINC001136974963 1048007411 /nfs/dbraw/zinc/00/74/11/1048007411.db2.gz UODJLYRFOATTPF-RBUKOAKNSA-N 1 3 325.500 4.315 20 0 EIADHO c1cc2cccc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718327 1048818810 /nfs/dbraw/zinc/81/88/10/1048818810.db2.gz HQZRWDQUAYKAET-IFMALSPDSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718327 1048818813 /nfs/dbraw/zinc/81/88/13/1048818813.db2.gz HQZRWDQUAYKAET-IFMALSPDSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718327 1048818816 /nfs/dbraw/zinc/81/88/16/1048818816.db2.gz HQZRWDQUAYKAET-IFMALSPDSA-N 1 3 345.490 4.122 20 0 EIADHO c1cc2cccc(C[N@@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001144718327 1048818828 /nfs/dbraw/zinc/81/88/28/1048818828.db2.gz HQZRWDQUAYKAET-IFMALSPDSA-N 1 3 345.490 4.122 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCc1ccc(CC[NH3+])cc1 ZINC000817948410 1049064296 /nfs/dbraw/zinc/06/42/96/1049064296.db2.gz JIMRGFDQSCDWFJ-IBGZPJMESA-N 1 3 344.886 4.153 20 0 EIADHO Cc1c([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cnn1-c1ccccc1 ZINC000817962513 1049070481 /nfs/dbraw/zinc/07/04/81/1049070481.db2.gz JGSODUYDVFNHTA-JKSUJKDBSA-N 1 3 334.467 4.051 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@@H](C)C1 ZINC000245426608 1049719828 /nfs/dbraw/zinc/71/98/28/1049719828.db2.gz LMOVSLVEFVKZSF-KBXCAEBGSA-N 1 3 331.891 4.050 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)c3cccnc23)[C@@H](C)C1 ZINC000245426608 1049719841 /nfs/dbraw/zinc/71/98/41/1049719841.db2.gz LMOVSLVEFVKZSF-KBXCAEBGSA-N 1 3 331.891 4.050 20 0 EIADHO Cc1cccc2c1CC[C@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001171563776 1049756431 /nfs/dbraw/zinc/75/64/31/1049756431.db2.gz MJMSILRNFOCPAX-KNQAVFIVSA-N 1 3 338.539 4.263 20 0 EIADHO CN1C(C)(C)CC([NH2+]CC2(CC3CCC3)CCOCC2)CC1(C)C ZINC001171629683 1049761434 /nfs/dbraw/zinc/76/14/34/1049761434.db2.gz CAOIFBHFSZNRMX-UHFFFAOYSA-N 1 3 336.564 4.214 20 0 EIADHO CC1(C)C[C@H](n2nc(CN)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001171973398 1049835661 /nfs/dbraw/zinc/83/56/61/1049835661.db2.gz YMRCMNORKMWCGW-GOSISDBHSA-N 1 3 348.494 4.111 20 0 EIADHO CC1(C)C[C@H](n2nc(CN)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171973398 1049835664 /nfs/dbraw/zinc/83/56/64/1049835664.db2.gz YMRCMNORKMWCGW-GOSISDBHSA-N 1 3 348.494 4.111 20 0 EIADHO c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245725363 1049838796 /nfs/dbraw/zinc/83/87/96/1049838796.db2.gz PIOQHRLTOHCOBX-RCLSDMTESA-N 1 3 336.479 4.442 20 0 EIADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC001171982469 1049838899 /nfs/dbraw/zinc/83/88/99/1049838899.db2.gz IWZYHZHKJYLVAZ-ICSRJNTNSA-N 1 3 337.511 4.484 20 0 EIADHO CCC[N@H+](CCCN(C)C)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987395 1049840110 /nfs/dbraw/zinc/84/01/10/1049840110.db2.gz USAPMTIVLRHNHE-OAQYLSRUSA-N 1 3 345.575 4.093 20 0 EIADHO CCC[N@@H+](CCCN(C)C)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171987395 1049840115 /nfs/dbraw/zinc/84/01/15/1049840115.db2.gz USAPMTIVLRHNHE-OAQYLSRUSA-N 1 3 345.575 4.093 20 0 EIADHO CN(C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171014368 1049841595 /nfs/dbraw/zinc/84/15/95/1049841595.db2.gz YYMBIIVXFTWQNB-FQEVSTJZSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171014368 1049841596 /nfs/dbraw/zinc/84/15/96/1049841596.db2.gz YYMBIIVXFTWQNB-FQEVSTJZSA-N 1 3 344.518 4.412 20 0 EIADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001171014368 1049841599 /nfs/dbraw/zinc/84/15/99/1049841599.db2.gz YYMBIIVXFTWQNB-FQEVSTJZSA-N 1 3 344.518 4.412 20 0 EIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)c(Cl)c1)C2 ZINC001172105060 1049857117 /nfs/dbraw/zinc/85/71/17/1049857117.db2.gz FSXNUWOIJKQUEQ-ZSOGYDGISA-N 1 3 346.824 4.464 20 0 EIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001172110287 1049857173 /nfs/dbraw/zinc/85/71/73/1049857173.db2.gz MJCGWFWTGHSXCJ-JYPZAZIFSA-N 1 3 334.454 4.217 20 0 EIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC/C(=C/F)CCc1ccc(F)cc1)C2 ZINC001172110287 1049857174 /nfs/dbraw/zinc/85/71/74/1049857174.db2.gz MJCGWFWTGHSXCJ-JYPZAZIFSA-N 1 3 334.454 4.217 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(Br)c1 ZINC001172107399 1049857295 /nfs/dbraw/zinc/85/72/95/1049857295.db2.gz WUCHTIVLEJNIAG-YYQUZTFQSA-N 1 3 337.305 4.115 20 0 EIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC001172107399 1049857298 /nfs/dbraw/zinc/85/72/98/1049857298.db2.gz WUCHTIVLEJNIAG-YYQUZTFQSA-N 1 3 337.305 4.115 20 0 EIADHO COCCC[NH+]1CCC(N[C@H](CC2CCC2)c2ccc(F)cc2)CC1 ZINC001172248843 1049872431 /nfs/dbraw/zinc/87/24/31/1049872431.db2.gz QDIQQMDHZOQXAE-OAQYLSRUSA-N 1 3 348.506 4.148 20 0 EIADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC001172319423 1049877199 /nfs/dbraw/zinc/87/71/99/1049877199.db2.gz QUNPRFHXWOVOBT-QHGDMDKLSA-N 1 3 344.543 4.080 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)nc1 ZINC000246098467 1049908573 /nfs/dbraw/zinc/90/85/73/1049908573.db2.gz JCHQEAJKRRBCGZ-REWPJTCUSA-N 1 3 347.506 4.197 20 0 EIADHO c1ccc(-c2cccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)nc1 ZINC000246098467 1049908579 /nfs/dbraw/zinc/90/85/79/1049908579.db2.gz JCHQEAJKRRBCGZ-REWPJTCUSA-N 1 3 347.506 4.197 20 0 EIADHO C[N@H+](C1CCN(C2CCCCC2)CC1)C1CC(C)(C)OC(C)(C)C1 ZINC001172660301 1049958097 /nfs/dbraw/zinc/95/80/97/1049958097.db2.gz IEWJKUNCQRIGBB-UHFFFAOYSA-N 1 3 336.564 4.452 20 0 EIADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)C1CC(C)(C)OC(C)(C)C1 ZINC001172660301 1049958104 /nfs/dbraw/zinc/95/81/04/1049958104.db2.gz IEWJKUNCQRIGBB-UHFFFAOYSA-N 1 3 336.564 4.452 20 0 EIADHO Clc1ccc2c(c1)C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172716997 1049963696 /nfs/dbraw/zinc/96/36/96/1049963696.db2.gz VAZPHKHLLIUKTF-HRAATJIYSA-N 1 3 344.930 4.218 20 0 EIADHO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001172716997 1049963699 /nfs/dbraw/zinc/96/36/99/1049963699.db2.gz VAZPHKHLLIUKTF-HRAATJIYSA-N 1 3 344.930 4.218 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172721644 1049964770 /nfs/dbraw/zinc/96/47/70/1049964770.db2.gz IIPPCFCULXSBKH-SLFFLAALSA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172721644 1049964773 /nfs/dbraw/zinc/96/47/73/1049964773.db2.gz IIPPCFCULXSBKH-SLFFLAALSA-N 1 3 332.919 4.146 20 0 EIADHO c1ccc(CN2CCC(C[NH2+]C3CCC4(CCCC4)CC3)CC2)nc1 ZINC001172727916 1049968237 /nfs/dbraw/zinc/96/82/37/1049968237.db2.gz SPIWUPTVQDITJT-UHFFFAOYSA-N 1 3 341.543 4.386 20 0 EIADHO C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000247003827 1050008870 /nfs/dbraw/zinc/00/88/70/1050008870.db2.gz KVIRHUJTDJHUEY-PBFPGSCMSA-N 1 3 349.316 4.071 20 0 EIADHO C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2cccc(Br)c21 ZINC000247003827 1050008878 /nfs/dbraw/zinc/00/88/78/1050008878.db2.gz KVIRHUJTDJHUEY-PBFPGSCMSA-N 1 3 349.316 4.071 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247112616 1050013461 /nfs/dbraw/zinc/01/34/61/1050013461.db2.gz TYVSRVJZVBKSAF-HUUCEWRRSA-N 1 3 326.431 4.059 20 0 EIADHO CSCCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248575700 1050065681 /nfs/dbraw/zinc/06/56/81/1050065681.db2.gz SZBDANACFHFKGN-VAMGGRTRSA-N 1 3 332.557 4.020 20 0 EIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000249188533 1050094222 /nfs/dbraw/zinc/09/42/22/1050094222.db2.gz MGBXCGXGFDUUGO-ZJIFWQFVSA-N 1 3 332.454 4.350 20 0 EIADHO CC(C)c1nc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c2ccccn21 ZINC001177299493 1050179584 /nfs/dbraw/zinc/17/95/84/1050179584.db2.gz SIKJLBATCCSDFS-SFHVURJKSA-N 1 3 342.531 4.202 20 0 EIADHO CC(C)c1nc(CNCCCC[N@H+]2CCCC[C@@H]2C)c2ccccn21 ZINC001177299493 1050179613 /nfs/dbraw/zinc/17/96/13/1050179613.db2.gz SIKJLBATCCSDFS-SFHVURJKSA-N 1 3 342.531 4.202 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC001177299554 1050181095 /nfs/dbraw/zinc/18/10/95/1050181095.db2.gz VJZFILAIVUSLGC-AWEZNQCLSA-N 1 3 344.421 4.171 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC001177299554 1050181103 /nfs/dbraw/zinc/18/11/03/1050181103.db2.gz VJZFILAIVUSLGC-AWEZNQCLSA-N 1 3 344.421 4.171 20 0 EIADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C)ccc2NC)c1 ZINC001177314962 1050190872 /nfs/dbraw/zinc/19/08/72/1050190872.db2.gz CMZHBHYYJYCERS-UHFFFAOYSA-N 1 3 325.500 4.168 20 0 EIADHO Cc1cc(F)c(CNCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001177453530 1050212820 /nfs/dbraw/zinc/21/28/20/1050212820.db2.gz BBWOGRFYFDXJQZ-UHFFFAOYSA-N 1 3 344.449 4.275 20 0 EIADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2ccccc2c1 ZINC000090937249 1050217529 /nfs/dbraw/zinc/21/75/29/1050217529.db2.gz BVFSHYPOJULGCT-QGZVFWFLSA-N 1 3 349.478 4.026 20 0 EIADHO COc1cc(C)ccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001177548594 1050250371 /nfs/dbraw/zinc/25/03/71/1050250371.db2.gz KWURWVKNTJYBCT-HXUWFJFHSA-N 1 3 338.495 4.005 20 0 EIADHO C[C@H](CC[NH2+]Cc1nccc2ccccc21)N(C)Cc1ccccc1 ZINC001177962876 1050330936 /nfs/dbraw/zinc/33/09/36/1050330936.db2.gz UZQRYYUOPCASER-GOSISDBHSA-N 1 3 333.479 4.235 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2cccc(F)c2F)C[N@@H+]1Cc1ccccc1 ZINC001178208287 1050403825 /nfs/dbraw/zinc/40/38/25/1050403825.db2.gz KYQLEIDDVKHLAH-FUHWJXTLSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2cccc(F)c2F)C[N@H+]1Cc1ccccc1 ZINC001178208287 1050403833 /nfs/dbraw/zinc/40/38/33/1050403833.db2.gz KYQLEIDDVKHLAH-FUHWJXTLSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2ccc(F)cc2F)C[N@@H+]1Cc1ccccc1 ZINC001178207952 1050404253 /nfs/dbraw/zinc/40/42/53/1050404253.db2.gz JKLCUJDGELSWEZ-SJLPKXTDSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@@H]1C[C@@H](CCNCc2ccc(F)cc2F)C[N@H+]1Cc1ccccc1 ZINC001178207952 1050404257 /nfs/dbraw/zinc/40/42/57/1050404257.db2.gz JKLCUJDGELSWEZ-SJLPKXTDSA-N 1 3 344.449 4.355 20 0 EIADHO C1CCC2(CC1)CCC[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001173342830 1050432108 /nfs/dbraw/zinc/43/21/08/1050432108.db2.gz FLQQQUXVDDLVKU-VAMGGRTRSA-N 1 3 334.548 4.113 20 0 EIADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1Oc1ccccc1 ZINC001206209691 1050535545 /nfs/dbraw/zinc/53/55/45/1050535545.db2.gz IBHJEAWSWLQLRE-RTBURBONSA-N 1 3 328.431 4.049 20 0 EIADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1Oc1ccccc1 ZINC001206209691 1050535560 /nfs/dbraw/zinc/53/55/60/1050535560.db2.gz IBHJEAWSWLQLRE-RTBURBONSA-N 1 3 328.431 4.049 20 0 EIADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000069673996 1050761825 /nfs/dbraw/zinc/76/18/25/1050761825.db2.gz WIIPKMYWHYLOLI-CYBMUJFWSA-N 1 3 338.904 4.193 20 0 EIADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001180302566 1050945238 /nfs/dbraw/zinc/94/52/38/1050945238.db2.gz ZLYNMXDPUBINFN-HLRQEUIKSA-N 1 3 326.528 4.455 20 0 EIADHO COc1ccc(SCCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC001180795287 1051079508 /nfs/dbraw/zinc/07/95/08/1051079508.db2.gz UOTZOKJBQUHDPF-DLBZAZTESA-N 1 3 348.556 4.030 20 0 EIADHO COc1ccc(SCCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC001180795287 1051079526 /nfs/dbraw/zinc/07/95/26/1051079526.db2.gz UOTZOKJBQUHDPF-DLBZAZTESA-N 1 3 348.556 4.030 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2cncc(C)c2)ccc1OC ZINC000183402595 1051108043 /nfs/dbraw/zinc/10/80/43/1051108043.db2.gz TWWMWBDEOACFKO-KRWDZBQOSA-N 1 3 341.499 4.091 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2cccs2)ccc1OC ZINC000775362122 1051128268 /nfs/dbraw/zinc/12/82/68/1051128268.db2.gz FMCOVMPTNBNZIA-MRXNPFEDSA-N 1 3 346.540 4.492 20 0 EIADHO CC[NH+](CC)Cc1cc([C@H](C)NCc2ccc(C)nc2)ccc1OC ZINC000775377071 1051157004 /nfs/dbraw/zinc/15/70/04/1051157004.db2.gz FZKKQEUTFMSUCI-KRWDZBQOSA-N 1 3 341.499 4.091 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1CN1CCCCC1 ZINC000775397729 1051215848 /nfs/dbraw/zinc/21/58/48/1051215848.db2.gz VQMQRPXPEBHITQ-CQSZACIVSA-N 1 3 344.421 4.284 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)C1 ZINC000163230731 1051292235 /nfs/dbraw/zinc/29/22/35/1051292235.db2.gz CWXYCSHDNGMBCU-ZFWWWQNUSA-N 1 3 347.503 4.250 20 0 EIADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)ccc1SC ZINC000268843482 1051396354 /nfs/dbraw/zinc/39/63/54/1051396354.db2.gz DHNDXJXUWVLVFG-HZPDHXFCSA-N 1 3 336.545 4.188 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@H]1C ZINC001191417134 1051452418 /nfs/dbraw/zinc/45/24/18/1051452418.db2.gz NMPYNGKWAVSPED-RDTXWAMCSA-N 1 3 331.891 4.193 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)C[C@H]1C ZINC001191417134 1051452426 /nfs/dbraw/zinc/45/24/26/1051452426.db2.gz NMPYNGKWAVSPED-RDTXWAMCSA-N 1 3 331.891 4.193 20 0 EIADHO C[C@@H]([NH2+]Cc1nccc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775495801 1051602665 /nfs/dbraw/zinc/60/26/65/1051602665.db2.gz AFWHWTHUFHYYQM-NQIIRXRSSA-N 1 3 345.490 4.235 20 0 EIADHO CC[N@H+](CCC1CCN(Cc2ccc(C)c(F)c2)CC1)CC1CC1 ZINC001192501664 1051748326 /nfs/dbraw/zinc/74/83/26/1051748326.db2.gz PKBOKCGBHVYXGX-UHFFFAOYSA-N 1 3 332.507 4.468 20 0 EIADHO CC[N@@H+](CCC1CCN(Cc2ccc(C)c(F)c2)CC1)CC1CC1 ZINC001192501664 1051748344 /nfs/dbraw/zinc/74/83/44/1051748344.db2.gz PKBOKCGBHVYXGX-UHFFFAOYSA-N 1 3 332.507 4.468 20 0 EIADHO CC(C)[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1cccnc1 ZINC000164121454 1052018051 /nfs/dbraw/zinc/01/80/51/1052018051.db2.gz NQBUZTMWVUAEOX-OAQYLSRUSA-N 1 3 329.532 4.208 20 0 EIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000177199419 1052674973 /nfs/dbraw/zinc/67/49/73/1052674973.db2.gz STLHGYRENOKRCV-CQSZACIVSA-N 1 3 347.300 4.362 20 0 EIADHO COc1ccc2oc([C@@H](C)[NH2+]C[C@H]3CCCCN(C)C3)c(C)c2c1 ZINC000624121119 1052867285 /nfs/dbraw/zinc/86/72/85/1052867285.db2.gz ONPHRCZXDGMQSN-HZPDHXFCSA-N 1 3 330.472 4.132 20 0 EIADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCN(C3CCCCC3)CC2)nc1 ZINC000850387295 1053158129 /nfs/dbraw/zinc/15/81/29/1053158129.db2.gz QQGGLMOQBNZEKR-AVRDEDQJSA-N 1 3 341.543 4.180 20 0 EIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000764829325 1053320135 /nfs/dbraw/zinc/32/01/35/1053320135.db2.gz WEPLCKDGNPTICB-AWEZNQCLSA-N 1 3 328.422 4.476 20 0 EIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC2SCCS2)CC1 ZINC000850568963 1053321754 /nfs/dbraw/zinc/32/17/54/1053321754.db2.gz OMMVESGRSODMLN-UHFFFAOYSA-N 1 3 344.634 4.451 20 0 EIADHO CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000385805308 1053551104 /nfs/dbraw/zinc/55/11/04/1053551104.db2.gz NHLNJVUOKPDENL-RXVVDRJESA-N 1 3 338.495 4.086 20 0 EIADHO Clc1nc2ccccc2cc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852754086 1053610776 /nfs/dbraw/zinc/61/07/76/1053610776.db2.gz ONSJDEYCIBUDEF-QGZVFWFLSA-N 1 3 343.902 4.100 20 0 EIADHO CCCCN1CCC([NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866250231 1053665689 /nfs/dbraw/zinc/66/56/89/1053665689.db2.gz WZLFIKXHXNSQOB-ZDUSSCGKSA-N 1 3 335.879 4.396 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441156 1053728919 /nfs/dbraw/zinc/72/89/19/1053728919.db2.gz PULPQTXNCZANRX-DENIHFKCSA-N 1 3 338.495 4.258 20 0 EIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000386441156 1053728936 /nfs/dbraw/zinc/72/89/36/1053728936.db2.gz PULPQTXNCZANRX-DENIHFKCSA-N 1 3 338.495 4.258 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000121109840 1053768173 /nfs/dbraw/zinc/76/81/73/1053768173.db2.gz HHLRBCFUCMNSMK-APWZRJJASA-N 1 3 348.531 4.145 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)ccc1OC ZINC000857082522 1054175580 /nfs/dbraw/zinc/17/55/80/1054175580.db2.gz WUHINHLAGAPSJR-YOEHRIQHSA-N 1 3 340.458 4.233 20 0 EIADHO CC1(N2CCCC2)CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000872645017 1054457547 /nfs/dbraw/zinc/45/75/47/1054457547.db2.gz NFEHDLMZNNMZCB-UHFFFAOYSA-N 1 3 341.524 4.279 20 0 EIADHO [NH3+][C@@H](C[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1)C1CCCC1 ZINC000873232527 1054509142 /nfs/dbraw/zinc/50/91/42/1054509142.db2.gz SDZZWXWQRPDLKB-KDOFPFPSSA-N 1 3 333.545 4.140 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2cc(F)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC001201492024 1054818388 /nfs/dbraw/zinc/81/83/88/1054818388.db2.gz PANQHTNAIMUPLH-FUHWJXTLSA-N 1 3 344.449 4.355 20 0 EIADHO C[C@H]1C[C@@H](CCNCc2cc(F)ccc2F)C[N@H+]1Cc1ccccc1 ZINC001201492024 1054818393 /nfs/dbraw/zinc/81/83/93/1054818393.db2.gz PANQHTNAIMUPLH-FUHWJXTLSA-N 1 3 344.449 4.355 20 0 EIADHO FC(F)n1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000863548079 1055225932 /nfs/dbraw/zinc/22/59/32/1055225932.db2.gz USDQNPYWSMIJRP-BRWVUGGUSA-N 1 3 333.426 4.047 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000878412322 1055300323 /nfs/dbraw/zinc/30/03/23/1055300323.db2.gz VTUBIBLKFRGRRY-UDDWMFPDSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878412322 1055300343 /nfs/dbraw/zinc/30/03/43/1055300343.db2.gz VTUBIBLKFRGRRY-UDDWMFPDSA-N 1 3 342.527 4.149 20 0 EIADHO C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412322 1055300359 /nfs/dbraw/zinc/30/03/59/1055300359.db2.gz VTUBIBLKFRGRRY-UDDWMFPDSA-N 1 3 342.527 4.149 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000474710955 1055997655 /nfs/dbraw/zinc/99/76/55/1055997655.db2.gz JZUPHWQZICZLLK-JUVOFCAFSA-N 1 3 334.470 4.454 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3cnccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000379619226 1060132298 /nfs/dbraw/zinc/13/22/98/1060132298.db2.gz BFNASELXOMSVQN-JPYJTQIMSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@@H]1C[C@@H](NCc2ccc3cnccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000379619226 1060132333 /nfs/dbraw/zinc/13/23/33/1060132333.db2.gz BFNASELXOMSVQN-JPYJTQIMSA-N 1 3 345.490 4.378 20 0 EIADHO C[C@H]([NH2+]Cc1ccc2cnccc2c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000388982823 1060281811 /nfs/dbraw/zinc/28/18/11/1060281811.db2.gz RCJPPVGROIXVEJ-FDDCHVKYSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2cnccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388982823 1060281839 /nfs/dbraw/zinc/28/18/39/1060281839.db2.gz RCJPPVGROIXVEJ-FDDCHVKYSA-N 1 3 345.490 4.235 20 0 EIADHO C[C@H](NCc1ccc2cnccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388982823 1060281863 /nfs/dbraw/zinc/28/18/63/1060281863.db2.gz RCJPPVGROIXVEJ-FDDCHVKYSA-N 1 3 345.490 4.235 20 0 EIADHO CC(C)C[C@@H](Cc1ccccc1)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001169071044 1060628815 /nfs/dbraw/zinc/62/88/15/1060628815.db2.gz UCQVXYPOOQFBRT-NRFANRHFSA-N 1 3 326.528 4.062 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001169097535 1060634479 /nfs/dbraw/zinc/63/44/79/1060634479.db2.gz BBUYHALNPABCDP-ZSOGYDGISA-N 1 3 332.797 4.074 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC001169099427 1060637936 /nfs/dbraw/zinc/63/79/36/1060637936.db2.gz RLAWXEYOWGXSOI-QDMKHBRRSA-N 1 3 332.797 4.074 20 0 EIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3nc(-c4ccccc4)oc3c1)C2 ZINC001169118104 1060646441 /nfs/dbraw/zinc/64/64/41/1060646441.db2.gz DQJOGEGAMXSKRF-REPLKXPHSA-N 1 3 347.462 4.210 20 0 EIADHO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC001169110501 1060658729 /nfs/dbraw/zinc/65/87/29/1060658729.db2.gz LVSRREZYZJLHHH-NXOAAHMSSA-N 1 3 337.305 4.115 20 0 EIADHO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001169110501 1060658732 /nfs/dbraw/zinc/65/87/32/1060658732.db2.gz LVSRREZYZJLHHH-NXOAAHMSSA-N 1 3 337.305 4.115 20 0 EIADHO CC[NH+]1CCC(N2CCSC[C@@H]2c2cccc3ccccc32)CC1 ZINC001169265439 1060714660 /nfs/dbraw/zinc/71/46/60/1060714660.db2.gz WXYVSDYYNHCIKG-OAQYLSRUSA-N 1 3 340.536 4.414 20 0 EIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(Br)s1 ZINC000038001940 213186175 /nfs/dbraw/zinc/18/61/75/213186175.db2.gz UWYGIRYRHLRJKZ-LBPRGKRZSA-N 1 3 331.323 4.037 20 0 EIADHO c1ccc([C@H]2OCC[C@@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000328619945 258036018 /nfs/dbraw/zinc/03/60/18/258036018.db2.gz GNASTVXSULYUEZ-DENIHFKCSA-N 1 3 342.527 4.151 20 0 EIADHO c1ccc([C@H]2OCC[C@@H]2CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000328619945 258036020 /nfs/dbraw/zinc/03/60/20/258036020.db2.gz GNASTVXSULYUEZ-DENIHFKCSA-N 1 3 342.527 4.151 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225077 1032103810 /nfs/dbraw/zinc/10/38/10/1032103810.db2.gz KFTFQOYVURGCFD-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2ccccc2)c1 ZINC000532225077 1032103816 /nfs/dbraw/zinc/10/38/16/1032103816.db2.gz KFTFQOYVURGCFD-UYAOXDASSA-N 1 3 338.495 4.258 20 0 EIADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cccc2cc[nH]c21 ZINC000532374318 1032213304 /nfs/dbraw/zinc/21/33/04/1032213304.db2.gz FPAPDCFIMMKZTG-ROUUACIJSA-N 1 3 347.506 4.414 20 0 EIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156859 1032464419 /nfs/dbraw/zinc/46/44/19/1032464419.db2.gz AJQRKSVLTSBYLV-GFCCVEGCSA-N 1 3 330.303 4.102 20 0 EIADHO CC(C)C1CCC(N2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000450485703 1032527929 /nfs/dbraw/zinc/52/79/29/1032527929.db2.gz KAPCNXWYAVYFAG-HRTMPFAESA-N 1 3 349.607 4.082 20 0 EIADHO CC(C)C1CCC(N2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000450485703 1032527936 /nfs/dbraw/zinc/52/79/36/1032527936.db2.gz KAPCNXWYAVYFAG-HRTMPFAESA-N 1 3 349.607 4.082 20 0 EIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(CSC(F)F)o1 ZINC000120620218 1019897972 /nfs/dbraw/zinc/89/79/72/1019897972.db2.gz CGAZTZKONSVHGM-AWEZNQCLSA-N 1 3 346.487 4.480 20 0 EIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(CSC(F)F)o1 ZINC000120620218 1019897975 /nfs/dbraw/zinc/89/79/75/1019897975.db2.gz CGAZTZKONSVHGM-AWEZNQCLSA-N 1 3 346.487 4.480 20 0 EIADHO Cc1nc2c(s1)[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)CCC2 ZINC000154869919 1020078769 /nfs/dbraw/zinc/07/87/69/1020078769.db2.gz DYPQZCLJUYDUAH-SFHVURJKSA-N 1 3 343.540 4.459 20 0 EIADHO Cc1nc2c(s1)[C@@H](NCc1ccccc1C[N@H+](C)C(C)C)CCC2 ZINC000154869919 1020078788 /nfs/dbraw/zinc/07/87/88/1020078788.db2.gz DYPQZCLJUYDUAH-SFHVURJKSA-N 1 3 343.540 4.459 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)c1cncs1 ZINC000155212649 1020356176 /nfs/dbraw/zinc/35/61/76/1020356176.db2.gz DYFRUYSJXFXXQE-CQSZACIVSA-N 1 3 349.931 4.359 20 0 EIADHO COCCCC1(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC1 ZINC001204496334 1020977189 /nfs/dbraw/zinc/97/71/89/1020977189.db2.gz FWDKMAUAYGNQNF-HXUWFJFHSA-N 1 3 336.564 4.027 20 0 EIADHO Clc1cccc(C2CC[NH+](Cc3ccc4c(c3)CNC4)CC2)c1 ZINC001210517956 1021159898 /nfs/dbraw/zinc/15/98/98/1021159898.db2.gz BIRPVVNTNUTXNL-UHFFFAOYSA-N 1 3 326.871 4.323 20 0 EIADHO C[C@@H]1CCC[N@H+](CCCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225599 1021778814 /nfs/dbraw/zinc/77/88/14/1021778814.db2.gz UTMDEGDQYQEHMI-MJGOQNOKSA-N 1 3 332.536 4.133 20 0 EIADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000580225599 1021778836 /nfs/dbraw/zinc/77/88/36/1021778836.db2.gz UTMDEGDQYQEHMI-MJGOQNOKSA-N 1 3 332.536 4.133 20 0 EIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000580286717 1021821597 /nfs/dbraw/zinc/82/15/97/1021821597.db2.gz PLJCRELBVRSAPU-UHFFFAOYSA-N 1 3 345.462 4.033 20 0 EIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000580286717 1021821600 /nfs/dbraw/zinc/82/16/00/1021821600.db2.gz PLJCRELBVRSAPU-UHFFFAOYSA-N 1 3 345.462 4.033 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000178012019 1021856886 /nfs/dbraw/zinc/85/68/86/1021856886.db2.gz ZSMUOTLUNZWRIW-KRWDZBQOSA-N 1 3 338.495 4.313 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000178012019 1021856887 /nfs/dbraw/zinc/85/68/87/1021856887.db2.gz ZSMUOTLUNZWRIW-KRWDZBQOSA-N 1 3 338.495 4.313 20 0 EIADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414127754 1021894596 /nfs/dbraw/zinc/89/45/96/1021894596.db2.gz SOWDUZGBMRLIIU-OAHLLOKOSA-N 1 3 329.513 4.193 20 0 EIADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cncc(F)c1 ZINC000414148612 1021976651 /nfs/dbraw/zinc/97/66/51/1021976651.db2.gz RYMPYPDTYWCBKA-KQLYMOGASA-N 1 3 339.458 4.067 20 0 EIADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cc3ccccc3[nH]2)CC1 ZINC000683929463 1021996974 /nfs/dbraw/zinc/99/69/74/1021996974.db2.gz LRYUMBZXYBLXQA-QGZVFWFLSA-N 1 3 333.479 4.483 20 0 EIADHO COc1c(C)cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1C ZINC000065976464 1022873267 /nfs/dbraw/zinc/87/32/67/1022873267.db2.gz ADGPRMZCJZHVLQ-UHFFFAOYSA-N 1 3 340.511 4.442 20 0 EIADHO COc1c(C)cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1C ZINC000065976464 1022873271 /nfs/dbraw/zinc/87/32/71/1022873271.db2.gz ADGPRMZCJZHVLQ-UHFFFAOYSA-N 1 3 340.511 4.442 20 0 EIADHO Cc1ccccc1SC[C@H](C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC001167457587 1023100122 /nfs/dbraw/zinc/10/01/22/1023100122.db2.gz FXWIEXUNKHSYHR-IEBWSBKVSA-N 1 3 332.557 4.141 20 0 EIADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000415014150 1023395399 /nfs/dbraw/zinc/39/53/99/1023395399.db2.gz LMDKTYVZBLAIPK-MNOVXSKESA-N 1 3 339.302 4.003 20 0 EIADHO [NH3+]CCC[C@@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000415061130 1023414143 /nfs/dbraw/zinc/41/41/43/1023414143.db2.gz XZJUCAJXDAEWPR-MRXNPFEDSA-N 1 3 343.521 4.441 20 0 EIADHO [NH3+]C1CCC(N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000415073795 1023427580 /nfs/dbraw/zinc/42/75/80/1023427580.db2.gz BNUZYWKHMHFFSF-RJYAGPCLSA-N 1 3 332.850 4.428 20 0 EIADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000656683486 1023431774 /nfs/dbraw/zinc/43/17/74/1023431774.db2.gz MCMFIKVCUAORCP-MRXNPFEDSA-N 1 3 343.902 4.298 20 0 EIADHO c1ccc([C@@H]2C[C@@H](NCCOc3cccc4ccccc43)CC[NH2+]2)cc1 ZINC000415093830 1023440437 /nfs/dbraw/zinc/44/04/37/1023440437.db2.gz WEZHASLTYYDVHJ-UNMCSNQZSA-N 1 3 346.474 4.302 20 0 EIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OC(F)F)c1 ZINC000119865033 1023440619 /nfs/dbraw/zinc/44/06/19/1023440619.db2.gz PDMOGTDOQRVIKY-CYBMUJFWSA-N 1 3 326.431 4.202 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+]C(C3CCC3)C3CCC3)C2)cc1 ZINC000549237398 1023515774 /nfs/dbraw/zinc/51/57/74/1023515774.db2.gz OMFZOSGKFQEAEF-LJQANCHMSA-N 1 3 326.528 4.109 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2(SC)CC2)ccc1OC ZINC000193830371 1023729302 /nfs/dbraw/zinc/72/93/02/1023729302.db2.gz DKDUTXUFXCETKS-OAHLLOKOSA-N 1 3 336.545 4.083 20 0 EIADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000500420902 1023814962 /nfs/dbraw/zinc/81/49/62/1023814962.db2.gz LYNUFAJNEXCBOS-UVQBRAAOSA-N 1 3 340.433 4.430 20 0 EIADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000500420902 1023814964 /nfs/dbraw/zinc/81/49/64/1023814964.db2.gz LYNUFAJNEXCBOS-UVQBRAAOSA-N 1 3 340.433 4.430 20 0 EIADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC000500420902 1023814966 /nfs/dbraw/zinc/81/49/66/1023814966.db2.gz LYNUFAJNEXCBOS-UVQBRAAOSA-N 1 3 340.433 4.430 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc3ccsc32)[C@H](C)C1 ZINC000652219679 1024389629 /nfs/dbraw/zinc/38/96/29/1024389629.db2.gz IJVSXDVMIVFHGP-APWZRJJASA-N 1 3 346.540 4.128 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc3ccsc32)[C@H](C)C1 ZINC000652219679 1024389645 /nfs/dbraw/zinc/38/96/45/1024389645.db2.gz IJVSXDVMIVFHGP-APWZRJJASA-N 1 3 346.540 4.128 20 0 EIADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295631 1025048214 /nfs/dbraw/zinc/04/82/14/1025048214.db2.gz VYYDMTBTTWHOLV-QFBILLFUSA-N 1 3 339.483 4.114 20 0 EIADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CC(C)(C)Cc3occc32)c1 ZINC000162553817 1025152629 /nfs/dbraw/zinc/15/26/29/1025152629.db2.gz LUQKWLBIPLCDAR-LJQANCHMSA-N 1 3 342.483 4.023 20 0 EIADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663466306 1025391534 /nfs/dbraw/zinc/39/15/34/1025391534.db2.gz QWSPOIUYEAHDQO-HBMCJLEFSA-N 1 3 341.543 4.128 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463803 1025392900 /nfs/dbraw/zinc/39/29/00/1025392900.db2.gz BRZVAFHGHKPBGD-HOCLYGCPSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463803 1025392920 /nfs/dbraw/zinc/39/29/20/1025392920.db2.gz BRZVAFHGHKPBGD-HOCLYGCPSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1cc2ccncc2s1 ZINC000663463803 1025392936 /nfs/dbraw/zinc/39/29/36/1025392936.db2.gz BRZVAFHGHKPBGD-HOCLYGCPSA-N 1 3 329.513 4.069 20 0 EIADHO C[C@@H](CCCC[NH3+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000415006895 1025492880 /nfs/dbraw/zinc/49/28/80/1025492880.db2.gz AQOCIQHWVKGXGN-RDJZCZTQSA-N 1 3 343.540 4.023 20 0 EIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925784391 1025657302 /nfs/dbraw/zinc/65/73/02/1025657302.db2.gz RBRQMJJUQXUZRZ-HIFRSBDPSA-N 1 3 328.472 4.083 20 0 EIADHO C[N@@H+]1CC[C@H](CN[C@H]2CCc3cc(F)ccc32)[C@@H]1c1cccs1 ZINC000363785480 1025827051 /nfs/dbraw/zinc/82/70/51/1025827051.db2.gz FIXFSLZQIIQZAQ-DKSSEZFCSA-N 1 3 330.472 4.157 20 0 EIADHO C[N@H+]1CC[C@H](CN[C@H]2CCc3cc(F)ccc32)[C@@H]1c1cccs1 ZINC000363785480 1025827055 /nfs/dbraw/zinc/82/70/55/1025827055.db2.gz FIXFSLZQIIQZAQ-DKSSEZFCSA-N 1 3 330.472 4.157 20 0 EIADHO C[C@@H](C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000415012432 1025846852 /nfs/dbraw/zinc/84/68/52/1025846852.db2.gz XEDPCEAYMDKVOH-UQASEVPWSA-N 1 3 344.449 4.051 20 0 EIADHO CC(C)SCCN(C)[C@H]1CCC[N@H+](CCSC(C)C)CC1 ZINC000514096016 1026134578 /nfs/dbraw/zinc/13/45/78/1026134578.db2.gz RDIIMZRSETXYSV-KRWDZBQOSA-N 1 3 332.623 4.056 20 0 EIADHO CC(C)SCCN(C)[C@H]1CCC[N@@H+](CCSC(C)C)CC1 ZINC000514096016 1026134584 /nfs/dbraw/zinc/13/45/84/1026134584.db2.gz RDIIMZRSETXYSV-KRWDZBQOSA-N 1 3 332.623 4.056 20 0 EIADHO CC(C)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167974370 1026174683 /nfs/dbraw/zinc/17/46/83/1026174683.db2.gz YFJMFCGIDVDOPL-FRIKZZABSA-N 1 3 326.528 4.348 20 0 EIADHO CC(C)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167974370 1026174694 /nfs/dbraw/zinc/17/46/94/1026174694.db2.gz YFJMFCGIDVDOPL-FRIKZZABSA-N 1 3 326.528 4.348 20 0 EIADHO Fc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CCC2)c1 ZINC001167975155 1026224176 /nfs/dbraw/zinc/22/41/76/1026224176.db2.gz JIDSWUOEAPDLSN-SEJPIABJSA-N 1 3 342.502 4.286 20 0 EIADHO Fc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167977876 1026340448 /nfs/dbraw/zinc/34/04/48/1026340448.db2.gz HNNBLDYLSQAWNU-IHWFROFDSA-N 1 3 342.502 4.286 20 0 EIADHO Fc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167977876 1026340462 /nfs/dbraw/zinc/34/04/62/1026340462.db2.gz HNNBLDYLSQAWNU-IHWFROFDSA-N 1 3 342.502 4.286 20 0 EIADHO Fc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC1 ZINC001167977876 1026340476 /nfs/dbraw/zinc/34/04/76/1026340476.db2.gz HNNBLDYLSQAWNU-IHWFROFDSA-N 1 3 342.502 4.286 20 0 EIADHO CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC(F)(F)CC1 ZINC001167979041 1026348679 /nfs/dbraw/zinc/34/86/79/1026348679.db2.gz STTIZQPKVRKXID-ALOPSCKCSA-N 1 3 326.475 4.340 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc3ccnc(Cl)c3s1)C2 ZINC000894748168 1026391328 /nfs/dbraw/zinc/39/13/28/1026391328.db2.gz IGLBTSFHNUAABW-PBWFPOADSA-N 1 3 335.904 4.007 20 0 EIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc3ccnc(Cl)c3s1)C2 ZINC000894748168 1026391342 /nfs/dbraw/zinc/39/13/42/1026391342.db2.gz IGLBTSFHNUAABW-PBWFPOADSA-N 1 3 335.904 4.007 20 0 EIADHO CCCC[N@H+](C)CC1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000506867956 1026476154 /nfs/dbraw/zinc/47/61/54/1026476154.db2.gz PMOYYSUDJWOAFV-NTMALXAHSA-N 1 3 330.516 4.152 20 0 EIADHO CCCC[N@@H+](C)CC1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000506867956 1026476160 /nfs/dbraw/zinc/47/61/60/1026476160.db2.gz PMOYYSUDJWOAFV-NTMALXAHSA-N 1 3 330.516 4.152 20 0 EIADHO CCCOc1ccc(CN2CCC(C[NH+](CC)CC)CC2)cc1OC ZINC000506882481 1026485218 /nfs/dbraw/zinc/48/52/18/1026485218.db2.gz WRVUQJWUWCCYMQ-UHFFFAOYSA-N 1 3 348.531 4.038 20 0 EIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Br)s1 ZINC000548733895 1026549077 /nfs/dbraw/zinc/54/90/77/1026549077.db2.gz XWPKZRUHKOAVLO-NWDGAFQWSA-N 1 3 331.323 4.036 20 0 EIADHO C[C@H](NCc1cc2ccncc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657430592 1026644317 /nfs/dbraw/zinc/64/43/17/1026644317.db2.gz RSQZTABUPRTFDR-GOEBONIOSA-N 1 3 329.513 4.039 20 0 EIADHO C[C@H](NCc1cc2ccncc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657430592 1026644331 /nfs/dbraw/zinc/64/43/31/1026644331.db2.gz RSQZTABUPRTFDR-GOEBONIOSA-N 1 3 329.513 4.039 20 0 EIADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2cccc3ccccc32)C[C@H]1C ZINC001167589381 1026859597 /nfs/dbraw/zinc/85/95/97/1026859597.db2.gz DKKYOBPXNIBJDQ-UYAOXDASSA-N 1 3 340.511 4.413 20 0 EIADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2cccc3ccccc32)C[C@H]1C ZINC001167589381 1026859601 /nfs/dbraw/zinc/85/96/01/1026859601.db2.gz DKKYOBPXNIBJDQ-UYAOXDASSA-N 1 3 340.511 4.413 20 0 EIADHO C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)CN1CCCCC1 ZINC000474601230 1027273607 /nfs/dbraw/zinc/27/36/07/1027273607.db2.gz KOWDNIACFFUQOW-BRWVUGGUSA-N 1 3 345.556 4.500 20 0 EIADHO C[C@H](CN[C@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+]1CCCCC1 ZINC000474601230 1027273616 /nfs/dbraw/zinc/27/36/16/1027273616.db2.gz KOWDNIACFFUQOW-BRWVUGGUSA-N 1 3 345.556 4.500 20 0 EIADHO Cc1cccc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235521 1027275219 /nfs/dbraw/zinc/27/52/19/1027275219.db2.gz IGWLDHHJQLDERW-RDTXWAMCSA-N 1 3 333.838 4.287 20 0 EIADHO Cc1cccc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000302235521 1027275234 /nfs/dbraw/zinc/27/52/34/1027275234.db2.gz IGWLDHHJQLDERW-RDTXWAMCSA-N 1 3 333.838 4.287 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280803824 1027894999 /nfs/dbraw/zinc/89/49/99/1027894999.db2.gz LBRWSLUVFNRDMD-VDHUWJSZSA-N 1 3 338.417 4.168 20 0 EIADHO FC(F)(F)c1cccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280803824 1027895008 /nfs/dbraw/zinc/89/50/08/1027895008.db2.gz LBRWSLUVFNRDMD-VDHUWJSZSA-N 1 3 338.417 4.168 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281095773 1028375127 /nfs/dbraw/zinc/37/51/27/1028375127.db2.gz AXEQVDAVSVKPNN-OAQYLSRUSA-N 1 3 341.474 4.302 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281095773 1028375141 /nfs/dbraw/zinc/37/51/41/1028375141.db2.gz AXEQVDAVSVKPNN-OAQYLSRUSA-N 1 3 341.474 4.302 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000281644673 1028822500 /nfs/dbraw/zinc/82/25/00/1028822500.db2.gz PEJBTUTTXLYPJY-VGWMRTNUSA-N 1 3 339.310 4.456 20 0 EIADHO Clc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1Cl ZINC000281644673 1028822511 /nfs/dbraw/zinc/82/25/11/1028822511.db2.gz PEJBTUTTXLYPJY-VGWMRTNUSA-N 1 3 339.310 4.456 20 0 EIADHO CN(Cc1cc(F)ccc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000445806537 1028901795 /nfs/dbraw/zinc/90/17/95/1028901795.db2.gz WYNWZDHMXFNFKV-UHFFFAOYSA-N 1 3 347.865 4.223 20 0 EIADHO COCCC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(F)cc1 ZINC000281880162 1028905745 /nfs/dbraw/zinc/90/57/45/1028905745.db2.gz GDLNGWTXJXLZPT-XLIONFOSSA-N 1 3 336.495 4.003 20 0 EIADHO c1sc(CNCC2CC[NH+](CC3CC3)CC2)nc1-c1ccccc1 ZINC000657813765 1029478150 /nfs/dbraw/zinc/47/81/50/1029478150.db2.gz ZNXPJJKQVXVXCN-UHFFFAOYSA-N 1 3 341.524 4.022 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2s1 ZINC000446817222 1029580723 /nfs/dbraw/zinc/58/07/23/1029580723.db2.gz GYDWWPGMKKJUJB-ZACQAIPSSA-N 1 3 346.540 4.441 20 0 EIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccccc1Br ZINC000584341618 1029744513 /nfs/dbraw/zinc/74/45/13/1029744513.db2.gz DXTQRWINVDDCKC-OAHLLOKOSA-N 1 3 339.321 4.366 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)c(Cl)c2)C1 ZINC000657840429 1029747383 /nfs/dbraw/zinc/74/73/83/1029747383.db2.gz GHSFFXIHYYXJAN-RYUDHWBXSA-N 1 3 345.712 4.095 20 0 EIADHO CC(C)[C@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1cccnc1 ZINC000091310344 1029883468 /nfs/dbraw/zinc/88/34/68/1029883468.db2.gz SZBKJFJSLSFOQK-NRFANRHFSA-N 1 3 325.500 4.409 20 0 EIADHO CC(C)[C@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1cccnc1 ZINC000091310344 1029883469 /nfs/dbraw/zinc/88/34/69/1029883469.db2.gz SZBKJFJSLSFOQK-NRFANRHFSA-N 1 3 325.500 4.409 20 0 EIADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc4c(c2)COC4)C3)cc1 ZINC000447587132 1030187324 /nfs/dbraw/zinc/18/73/24/1030187324.db2.gz OWKTWBABVZFFNF-WBDAEOGXSA-N 1 3 348.490 4.002 20 0 EIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCc2ccc(F)c(F)c2)CC1 ZINC000530329386 1030319667 /nfs/dbraw/zinc/31/96/67/1030319667.db2.gz XQBLYLKXRKAWKH-MGPUTAFESA-N 1 3 336.470 4.140 20 0 EIADHO C[C@H](CC[NH2+][C@@H](C)c1cc2cnccc2o1)N(C)Cc1ccccc1 ZINC000657898545 1030406409 /nfs/dbraw/zinc/40/64/09/1030406409.db2.gz DBMULIXHZUMEJH-SJORKVTESA-N 1 3 337.467 4.389 20 0 EIADHO C[C@@H](NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(CO)c1 ZINC000121857381 1030462201 /nfs/dbraw/zinc/46/22/01/1030462201.db2.gz GHVJHCXJVAJRRL-QZTJIDSGSA-N 1 3 338.495 4.055 20 0 EIADHO COCCCC[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000527241351 1030571703 /nfs/dbraw/zinc/57/17/03/1030571703.db2.gz WZTQJDFLTGYOSB-NRFANRHFSA-N 1 3 330.516 4.008 20 0 EIADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)ccn1 ZINC000527658347 1030814070 /nfs/dbraw/zinc/81/40/70/1030814070.db2.gz XEAKOMCVGZWMPV-UHFFFAOYSA-N 1 3 343.902 4.045 20 0 EIADHO Cc1ccc([C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C2CC2)cc1 ZINC000658165438 1030862650 /nfs/dbraw/zinc/86/26/50/1030862650.db2.gz JQKRLMJYUKRXSN-HSZRJFAPSA-N 1 3 349.522 4.343 20 0 EIADHO CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccsc1 ZINC000658167518 1030864135 /nfs/dbraw/zinc/86/41/35/1030864135.db2.gz SMMWXYJBASGITM-HXUWFJFHSA-N 1 3 343.540 4.486 20 0 EIADHO CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000658167266 1030864621 /nfs/dbraw/zinc/86/46/21/1030864621.db2.gz RHWCYTXXCATXIP-JOCHJYFZSA-N 1 3 349.522 4.306 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2)c1cncs1 ZINC000658319532 1030978899 /nfs/dbraw/zinc/97/88/99/1030978899.db2.gz FYEQZJAXPOQXRL-SJLPKXTDSA-N 1 3 341.524 4.096 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C ZINC000532469184 1031144153 /nfs/dbraw/zinc/14/41/53/1031144153.db2.gz MPCNBZGDBIKGNO-GHTZIAJQSA-N 1 3 338.495 4.004 20 0 EIADHO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C ZINC000532469184 1031144168 /nfs/dbraw/zinc/14/41/68/1031144168.db2.gz MPCNBZGDBIKGNO-GHTZIAJQSA-N 1 3 338.495 4.004 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000123946043 1031496495 /nfs/dbraw/zinc/49/64/95/1031496495.db2.gz CXZWFBYNEISKJW-OAQYLSRUSA-N 1 3 338.495 4.450 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000123946043 1031496503 /nfs/dbraw/zinc/49/65/03/1031496503.db2.gz CXZWFBYNEISKJW-OAQYLSRUSA-N 1 3 338.495 4.450 20 0 EIADHO Cc1[nH]c2ccccc2c1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000124972030 1031563795 /nfs/dbraw/zinc/56/37/95/1031563795.db2.gz LOCHTFBFMMFGRK-GOSISDBHSA-N 1 3 325.500 4.140 20 0 EIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ncc(-c2ccccc2)n1C ZINC000453231789 1031753557 /nfs/dbraw/zinc/75/35/57/1031753557.db2.gz UGDZRXOFIISVFW-GOSISDBHSA-N 1 3 340.515 4.004 20 0 EIADHO CC[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234217 1031754919 /nfs/dbraw/zinc/75/49/19/1031754919.db2.gz ZQBOSQKDUWOVQR-NHCUHLMSSA-N 1 3 337.511 4.423 20 0 EIADHO CC[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccncc1 ZINC000453234217 1031754938 /nfs/dbraw/zinc/75/49/38/1031754938.db2.gz ZQBOSQKDUWOVQR-NHCUHLMSSA-N 1 3 337.511 4.423 20 0 EIADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000453256132 1031780570 /nfs/dbraw/zinc/78/05/70/1031780570.db2.gz QQBARDLRMJOYEQ-RBBKRZOGSA-N 1 3 337.511 4.425 20 0 EIADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453346493 1031872715 /nfs/dbraw/zinc/87/27/15/1031872715.db2.gz KJUNJEBNFSURMU-MMNRESRNSA-N 1 3 334.891 4.077 20 0 EIADHO c1csc([C@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449632355 1031901955 /nfs/dbraw/zinc/90/19/55/1031901955.db2.gz XJTHLTSPOJLQMW-PKOBYXMFSA-N 1 3 348.556 4.355 20 0 EIADHO c1csc([C@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449632355 1031901964 /nfs/dbraw/zinc/90/19/64/1031901964.db2.gz XJTHLTSPOJLQMW-PKOBYXMFSA-N 1 3 348.556 4.355 20 0 EIADHO c1csc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CCO2)c1 ZINC000449632350 1031903366 /nfs/dbraw/zinc/90/33/66/1031903366.db2.gz XJTHLTSPOJLQMW-IEBWSBKVSA-N 1 3 348.556 4.355 20 0 EIADHO c1csc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CCO2)c1 ZINC000449632350 1031903377 /nfs/dbraw/zinc/90/33/77/1031903377.db2.gz XJTHLTSPOJLQMW-IEBWSBKVSA-N 1 3 348.556 4.355 20 0 EIADHO CCC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972395 1031910726 /nfs/dbraw/zinc/91/07/26/1031910726.db2.gz OBLIUZGOOVTXOM-YOEHRIQHSA-N 1 3 328.422 4.478 20 0 EIADHO CCC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531972395 1031910737 /nfs/dbraw/zinc/91/07/37/1031910737.db2.gz OBLIUZGOOVTXOM-YOEHRIQHSA-N 1 3 328.422 4.478 20 0 EIADHO Cc1ccc(-c2nc(CNCCCC[N@@H+](C)C3CC3)cs2)cc1 ZINC000453590204 1032037471 /nfs/dbraw/zinc/03/74/71/1032037471.db2.gz AZDLBQBNKMVQIM-UHFFFAOYSA-N 1 3 329.513 4.083 20 0 EIADHO Cc1ccc(-c2nc(CNCCCC[N@H+](C)C3CC3)cs2)cc1 ZINC000453590204 1032037488 /nfs/dbraw/zinc/03/74/88/1032037488.db2.gz AZDLBQBNKMVQIM-UHFFFAOYSA-N 1 3 329.513 4.083 20 0 EIADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000333272946 1034576571 /nfs/dbraw/zinc/57/65/71/1034576571.db2.gz KUXZVRLSFPOMMK-OWCLPIDISA-N 1 3 345.487 4.186 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000894205677 1034704375 /nfs/dbraw/zinc/70/43/75/1034704375.db2.gz ALIKIZIQCOYCIT-UHFFFAOYSA-N 1 3 337.511 4.175 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc3c2NCCC3)c1 ZINC000894205677 1034704405 /nfs/dbraw/zinc/70/44/05/1034704405.db2.gz ALIKIZIQCOYCIT-UHFFFAOYSA-N 1 3 337.511 4.175 20 0 EIADHO CC[NH+]1CCC(NC/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501413788 1035438340 /nfs/dbraw/zinc/43/83/40/1035438340.db2.gz QLJMOQMUEKOIHP-WYMLVPIESA-N 1 3 326.406 4.183 20 0 EIADHO c1cncc([C@H]2CCC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)c1 ZINC000501454084 1035447910 /nfs/dbraw/zinc/44/79/10/1035447910.db2.gz UDFJQBGPAJORMW-RXVVDRJESA-N 1 3 341.543 4.495 20 0 EIADHO Cc1nc([C@H](C)N2CCC[C@@H](CC[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000420319111 1035514345 /nfs/dbraw/zinc/51/43/45/1035514345.db2.gz XDBOUXCEDPHRDM-GJZGRUSLSA-N 1 3 347.890 4.425 20 0 EIADHO C[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951056 1035752667 /nfs/dbraw/zinc/75/26/67/1035752667.db2.gz OBQYKHKYSRXORP-YOEHRIQHSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951056 1035752688 /nfs/dbraw/zinc/75/26/88/1035752688.db2.gz OBQYKHKYSRXORP-YOEHRIQHSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@@H](CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501951056 1035752720 /nfs/dbraw/zinc/75/27/20/1035752720.db2.gz OBQYKHKYSRXORP-YOEHRIQHSA-N 1 3 328.422 4.225 20 0 EIADHO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421824898 1036782110 /nfs/dbraw/zinc/78/21/10/1036782110.db2.gz KWJSWFBUNOFSSH-MRXNPFEDSA-N 1 3 343.902 4.298 20 0 EIADHO CCCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccc(C)o1 ZINC000669688942 1036891784 /nfs/dbraw/zinc/89/17/84/1036891784.db2.gz GGASWIXUOBEAFH-FQEVSTJZSA-N 1 3 349.563 4.167 20 0 EIADHO CCCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H](C)c1ccc(C)o1 ZINC000669688942 1036891787 /nfs/dbraw/zinc/89/17/87/1036891787.db2.gz GGASWIXUOBEAFH-FQEVSTJZSA-N 1 3 349.563 4.167 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271902762 1037047549 /nfs/dbraw/zinc/04/75/49/1037047549.db2.gz VXFQGOVNUZZHKS-ZDUSSCGKSA-N 1 3 345.487 4.170 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271902762 1037047575 /nfs/dbraw/zinc/04/75/75/1037047575.db2.gz VXFQGOVNUZZHKS-ZDUSSCGKSA-N 1 3 345.487 4.170 20 0 EIADHO Clc1cccc(C2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168374127 1037342591 /nfs/dbraw/zinc/34/25/91/1037342591.db2.gz WNQOPSQRSBRENI-UHFFFAOYSA-N 1 3 332.919 4.394 20 0 EIADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C[C@@H]3CC=CCC3)CC1)C2 ZINC001168420168 1037719030 /nfs/dbraw/zinc/71/90/30/1037719030.db2.gz JTBWVIILSAUBRS-VGOFRKELSA-N 1 3 342.502 4.093 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000422716075 1037813646 /nfs/dbraw/zinc/81/36/46/1037813646.db2.gz MWNOALAHMZTHCX-CVEARBPZSA-N 1 3 325.500 4.256 20 0 EIADHO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H](C)c2ccc(CN)nc2C)c1C ZINC000422741508 1037822316 /nfs/dbraw/zinc/82/23/16/1037822316.db2.gz OQJGMKSMQMTUIC-OAHLLOKOSA-N 1 3 336.483 4.106 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422814974 1037839899 /nfs/dbraw/zinc/83/98/99/1037839899.db2.gz WSFMKLDNQPTGHX-CVEARBPZSA-N 1 3 346.478 4.323 20 0 EIADHO Cc1ccc([C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C2CC2)cc1 ZINC000422813362 1037840535 /nfs/dbraw/zinc/84/05/35/1037840535.db2.gz RQWYTOFKZCESFC-AKIFATBCSA-N 1 3 348.490 4.292 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422822162 1037841895 /nfs/dbraw/zinc/84/18/95/1037841895.db2.gz JHUFPURRIJTGDW-CYBMUJFWSA-N 1 3 331.891 4.131 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000422935770 1037876754 /nfs/dbraw/zinc/87/67/54/1037876754.db2.gz DPCLOVKAZWCKJX-NSHDSACASA-N 1 3 338.282 4.049 20 0 EIADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012774 1037901510 /nfs/dbraw/zinc/90/15/10/1037901510.db2.gz LJDMIZUHWJYEFN-YOEHRIQHSA-N 1 3 349.931 4.113 20 0 EIADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000423012774 1037901536 /nfs/dbraw/zinc/90/15/36/1037901536.db2.gz LJDMIZUHWJYEFN-YOEHRIQHSA-N 1 3 349.931 4.113 20 0 EIADHO CCN(Cc1ccc(-c2ccccc2OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000414712456 1037911759 /nfs/dbraw/zinc/91/17/59/1037911759.db2.gz IXUMQCMFGMCKFO-HXUWFJFHSA-N 1 3 338.495 4.326 20 0 EIADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000423052950 1037936391 /nfs/dbraw/zinc/93/63/91/1037936391.db2.gz RNPRFTVWFAFHQR-BHIFYINESA-N 1 3 335.495 4.149 20 0 EIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000423050779 1037936857 /nfs/dbraw/zinc/93/68/57/1037936857.db2.gz MAUOOPCMMYSTRD-FUHWJXTLSA-N 1 3 337.511 4.400 20 0 EIADHO c1cncc(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)c1 ZINC000423052952 1037938744 /nfs/dbraw/zinc/93/87/44/1037938744.db2.gz RNPRFTVWFAFHQR-YPAWHYETSA-N 1 3 335.495 4.149 20 0 EIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423053864 1037940134 /nfs/dbraw/zinc/94/01/34/1037940134.db2.gz BDXMTFATCAZZOL-TZMCWYRMSA-N 1 3 325.481 4.475 20 0 EIADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423096957 1037954604 /nfs/dbraw/zinc/95/46/04/1037954604.db2.gz QDTZSZYOXGDCBO-MUIFIZLQSA-N 1 3 326.406 4.059 20 0 EIADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423100579 1037958052 /nfs/dbraw/zinc/95/80/52/1037958052.db2.gz HCVXLRKMZGHJND-CZUORRHYSA-N 1 3 335.904 4.071 20 0 EIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCCc2sc(Cl)cc21 ZINC000423126392 1037970202 /nfs/dbraw/zinc/97/02/02/1037970202.db2.gz ISIBCJAIYCFURJ-ABAIWWIYSA-N 1 3 335.904 4.292 20 0 EIADHO Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCC2 ZINC000423127846 1037976266 /nfs/dbraw/zinc/97/62/66/1037976266.db2.gz PSHKXABLJGFXBU-FUDKSRODSA-N 1 3 348.490 4.218 20 0 EIADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000423125921 1037977600 /nfs/dbraw/zinc/97/76/00/1037977600.db2.gz IMMHZPPTEPZQCR-VAMGGRTRSA-N 1 3 344.886 4.067 20 0 EIADHO C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000423112409 1037988350 /nfs/dbraw/zinc/98/83/50/1037988350.db2.gz XNDUENAGSNDHIM-NUTKFTJISA-N 1 3 326.406 4.134 20 0 EIADHO Clc1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1Cl ZINC000423113540 1037990569 /nfs/dbraw/zinc/99/05/69/1037990569.db2.gz YLTDJIZNDUTZGX-KWIKQGISSA-N 1 3 325.283 4.112 20 0 EIADHO CCN(Cc1ccc(Oc2cccnc2)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414720189 1038002131 /nfs/dbraw/zinc/00/21/31/1038002131.db2.gz XLLXKIFZYSJGIF-LJQANCHMSA-N 1 3 339.483 4.146 20 0 EIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000503950142 1038042281 /nfs/dbraw/zinc/04/22/81/1038042281.db2.gz BIMNTVCRROYLHN-DZOHQFGASA-N 1 3 344.490 4.170 20 0 EIADHO CCOc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1OCC ZINC000423291937 1038095029 /nfs/dbraw/zinc/09/50/29/1038095029.db2.gz KQCPOTCHIVOTSD-CVEARBPZSA-N 1 3 342.483 4.355 20 0 EIADHO COc1ccc([C@H](NCCCC[NH3+])c2ccccc2Cl)c(C)c1 ZINC000423323501 1038134734 /nfs/dbraw/zinc/13/47/34/1038134734.db2.gz JPPMIJCLVLZHGO-IBGZPJMESA-N 1 3 332.875 4.075 20 0 EIADHO Cc1ccsc1[C@@H](NCCCC[NH3+])c1ccc(Cl)cc1F ZINC000423327434 1038142731 /nfs/dbraw/zinc/14/27/31/1038142731.db2.gz NDVAKCBMLABWTO-HNNXBMFYSA-N 1 3 326.868 4.267 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(OC(F)(F)F)c1 ZINC000423386631 1038193444 /nfs/dbraw/zinc/19/34/44/1038193444.db2.gz MCPFWOCNZVWMGH-GFCCVEGCSA-N 1 3 336.357 4.039 20 0 EIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Br)c(F)c1 ZINC000423386070 1038197254 /nfs/dbraw/zinc/19/72/54/1038197254.db2.gz LXAYHOYJGJFISL-NSHDSACASA-N 1 3 349.247 4.042 20 0 EIADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1OC(F)F ZINC000423396817 1038203760 /nfs/dbraw/zinc/20/37/60/1038203760.db2.gz SRMLAFKKTDTAQF-QGZVFWFLSA-N 1 3 332.394 4.132 20 0 EIADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423406515 1038216343 /nfs/dbraw/zinc/21/63/43/1038216343.db2.gz UTIVOXCIPPJCER-YHDCKOJYSA-N 1 3 340.433 4.319 20 0 EIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423407285 1038216991 /nfs/dbraw/zinc/21/69/91/1038216991.db2.gz ZQCSGTRXWYMMCC-GFCCVEGCSA-N 1 3 329.513 4.203 20 0 EIADHO C[C@H](NC1(C[NH2+]Cc2ccc3[nH]cnc3c2)CCCC1)c1ccccc1 ZINC000606912604 1038302903 /nfs/dbraw/zinc/30/29/03/1038302903.db2.gz CEJAQBBHVFLDAN-KRWDZBQOSA-N 1 3 348.494 4.316 20 0 EIADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490070172 1038330266 /nfs/dbraw/zinc/33/02/66/1038330266.db2.gz WRCXGXISGHLADO-IAGOWNOFSA-N 1 3 347.572 4.076 20 0 EIADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490070172 1038330281 /nfs/dbraw/zinc/33/02/81/1038330281.db2.gz WRCXGXISGHLADO-IAGOWNOFSA-N 1 3 347.572 4.076 20 0 EIADHO C[NH+](C)CCCCN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000490143895 1038356078 /nfs/dbraw/zinc/35/60/78/1038356078.db2.gz NONLBDXOAMZASC-LJQANCHMSA-N 1 3 334.866 4.500 20 0 EIADHO CC[NH+](CC)CCC[C@H](C)NCc1cccc(F)c1Br ZINC000156679333 1038870965 /nfs/dbraw/zinc/87/09/65/1038870965.db2.gz MXJYDCMDPBJJCY-ZDUSSCGKSA-N 1 3 345.300 4.188 20 0 EIADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(C2CCCCC2)cc1 ZINC000481177800 1039078449 /nfs/dbraw/zinc/07/84/49/1039078449.db2.gz VFWKOPQCCVRFLF-GOSISDBHSA-N 1 3 344.543 4.232 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccc(OC)c1 ZINC000120447718 1039107891 /nfs/dbraw/zinc/10/78/91/1039107891.db2.gz DBWLVLLDQQCKLW-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(OC)cc1 ZINC000120446690 1039110620 /nfs/dbraw/zinc/11/06/20/1039110620.db2.gz FXYURFGOVDKSPE-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CC)c2cccc(C)c2)[C@H](C)C1 ZINC000552244525 1039311298 /nfs/dbraw/zinc/31/12/98/1039311298.db2.gz DEYJCPYKLAQTFD-GIVPXCGWSA-N 1 3 332.532 4.173 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CC)c2cccc(C)c2)[C@H](C)C1 ZINC000552244525 1039311315 /nfs/dbraw/zinc/31/13/15/1039311315.db2.gz DEYJCPYKLAQTFD-GIVPXCGWSA-N 1 3 332.532 4.173 20 0 EIADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1CCN(CC)C1 ZINC000481339685 1039318796 /nfs/dbraw/zinc/31/87/96/1039318796.db2.gz QZXOQCIGDRZKGU-GDBMZVCRSA-N 1 3 326.937 4.142 20 0 EIADHO CCOCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000514103470 1039610175 /nfs/dbraw/zinc/61/01/75/1039610175.db2.gz CIONWXYZOWWFHF-BHDDXSALSA-N 1 3 344.543 4.084 20 0 EIADHO CCCCc1ccc([C@@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000481929184 1039899655 /nfs/dbraw/zinc/89/96/55/1039899655.db2.gz CHUHKTVJCIGALX-GOSISDBHSA-N 1 3 332.532 4.181 20 0 EIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000481925960 1039902463 /nfs/dbraw/zinc/90/24/63/1039902463.db2.gz NPJTUSBBKCEGNF-HZPDHXFCSA-N 1 3 342.449 4.346 20 0 EIADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000481962674 1039926371 /nfs/dbraw/zinc/92/63/71/1039926371.db2.gz PXLDXRCXIUKOJG-KBPBESRZSA-N 1 3 336.426 4.432 20 0 EIADHO CC(C)=CCC[C@H](C)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000482173138 1040057880 /nfs/dbraw/zinc/05/78/80/1040057880.db2.gz XDBIYQXUOKKVAZ-NRFANRHFSA-N 1 3 349.607 4.249 20 0 EIADHO [NH3+]CCC[C@H](NCc1c(Cl)ccc2cccnc21)c1ccccc1 ZINC000666977326 1040183446 /nfs/dbraw/zinc/18/34/46/1040183446.db2.gz PWRKZOIJZDVGKX-IBGZPJMESA-N 1 3 339.870 4.458 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000482336223 1040186028 /nfs/dbraw/zinc/18/60/28/1040186028.db2.gz RVECHZWGPGIUIM-GJZGRUSLSA-N 1 3 328.422 4.476 20 0 EIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000482355198 1040197136 /nfs/dbraw/zinc/19/71/36/1040197136.db2.gz FKRXCVUQOCIMEU-GJZGRUSLSA-N 1 3 344.421 4.356 20 0 EIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CC2 ZINC000482436778 1040244332 /nfs/dbraw/zinc/24/43/32/1040244332.db2.gz JKFZVVXQHNJRHN-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000482436778 1040244336 /nfs/dbraw/zinc/24/43/36/1040244336.db2.gz JKFZVVXQHNJRHN-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000482436778 1040244350 /nfs/dbraw/zinc/24/43/50/1040244350.db2.gz JKFZVVXQHNJRHN-REWPJTCUSA-N 1 3 334.507 4.137 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc(F)c1 ZINC000482442762 1040250348 /nfs/dbraw/zinc/25/03/48/1040250348.db2.gz XCIACAPNNAVCIN-IEBWSBKVSA-N 1 3 326.459 4.041 20 0 EIADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](Cc3ccccc3)C3CC3)C2)cc1 ZINC000482452130 1040263601 /nfs/dbraw/zinc/26/36/01/1040263601.db2.gz ABHIMGHYFMWALQ-VWNXMTODSA-N 1 3 348.534 4.162 20 0 EIADHO Cc1cccnc1C(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000514820433 1040268850 /nfs/dbraw/zinc/26/88/50/1040268850.db2.gz MMJJLVIZNWDSHU-FXAWDEMLSA-N 1 3 343.559 4.300 20 0 EIADHO C[NH+]1CCC(CN[C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000482562309 1040352216 /nfs/dbraw/zinc/35/22/16/1040352216.db2.gz QEHDCGJTJUHUQC-GFCCVEGCSA-N 1 3 333.328 4.364 20 0 EIADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1 ZINC000479468654 1040393119 /nfs/dbraw/zinc/39/31/19/1040393119.db2.gz ZFMWULRPQZTNRE-ZBFHGGJFSA-N 1 3 348.412 4.277 20 0 EIADHO c1ccc(CC(Cc2ccccc2)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995034 1040404064 /nfs/dbraw/zinc/40/40/64/1040404064.db2.gz AWOPSLLXCSXIHP-OAQYLSRUSA-N 1 3 334.507 4.105 20 0 EIADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000482647706 1040406759 /nfs/dbraw/zinc/40/67/59/1040406759.db2.gz BMAQCEUHBIJGKV-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000482647706 1040406764 /nfs/dbraw/zinc/40/67/64/1040406764.db2.gz BMAQCEUHBIJGKV-DYXWJJEUSA-N 1 3 332.532 4.091 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000479878154 1040739681 /nfs/dbraw/zinc/73/96/81/1040739681.db2.gz ZMESQPRHZXTOPX-ZDUSSCGKSA-N 1 3 349.519 4.496 20 0 EIADHO CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@@H](C)C1 ZINC000539835705 1040829228 /nfs/dbraw/zinc/82/92/28/1040829228.db2.gz PAMZFRRVIUKVTQ-QFBILLFUSA-N 1 3 343.540 4.281 20 0 EIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(C)cc3)s2)[C@@H](C)C1 ZINC000539835705 1040829232 /nfs/dbraw/zinc/82/92/32/1040829232.db2.gz PAMZFRRVIUKVTQ-QFBILLFUSA-N 1 3 343.540 4.281 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483483453 1040873278 /nfs/dbraw/zinc/87/32/78/1040873278.db2.gz NNFKUGPRECHSNE-UNEWFSDZSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483483453 1040873281 /nfs/dbraw/zinc/87/32/81/1040873281.db2.gz NNFKUGPRECHSNE-UNEWFSDZSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000483483453 1040873284 /nfs/dbraw/zinc/87/32/84/1040873284.db2.gz NNFKUGPRECHSNE-UNEWFSDZSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000483483453 1040873286 /nfs/dbraw/zinc/87/32/86/1040873286.db2.gz NNFKUGPRECHSNE-UNEWFSDZSA-N 1 3 326.406 4.183 20 0 EIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725998 1040977730 /nfs/dbraw/zinc/97/77/30/1040977730.db2.gz IZQQMJQWVLASAP-YDHLFZDLSA-N 1 3 346.462 4.474 20 0 EIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000483725998 1040977757 /nfs/dbraw/zinc/97/77/57/1040977757.db2.gz IZQQMJQWVLASAP-YDHLFZDLSA-N 1 3 346.462 4.474 20 0 EIADHO CCC[NH+]1CCC(N[C@@H](C)c2ccc(OC)c3ccccc32)CC1 ZINC000480139539 1040988557 /nfs/dbraw/zinc/98/85/57/1040988557.db2.gz LWSVCKJSDQECBQ-INIZCTEOSA-N 1 3 326.484 4.373 20 0 EIADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436282147 1041027718 /nfs/dbraw/zinc/02/77/18/1041027718.db2.gz QJNZACHVZSAAFW-LBPRGKRZSA-N 1 3 334.813 4.180 20 0 EIADHO COc1cc([C@H](C)[NH2+]CCCN2CCC(C)CC2)ccc1SC ZINC000480174240 1041036858 /nfs/dbraw/zinc/03/68/58/1041036858.db2.gz SFRSPBQZQRHDPX-INIZCTEOSA-N 1 3 336.545 4.190 20 0 EIADHO CC(C)[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000538116497 1041049521 /nfs/dbraw/zinc/04/95/21/1041049521.db2.gz LBVMBCFTTNZXOD-COPCDDAFSA-N 1 3 337.511 4.421 20 0 EIADHO CC(C)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccnc1 ZINC000538116497 1041049540 /nfs/dbraw/zinc/04/95/40/1041049540.db2.gz LBVMBCFTTNZXOD-COPCDDAFSA-N 1 3 337.511 4.421 20 0 EIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)c2c[nH]c3ccccc32)C1 ZINC000462889310 1041050259 /nfs/dbraw/zinc/05/02/59/1041050259.db2.gz SJINKFOZHFMYAK-IRXDYDNUSA-N 1 3 327.516 4.156 20 0 EIADHO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)ccc1OC(C)C ZINC000538154817 1041098740 /nfs/dbraw/zinc/09/87/40/1041098740.db2.gz MTNAIKQHBRTUQQ-AEFFLSMTSA-N 1 3 334.504 4.007 20 0 EIADHO CC(C)CCOc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000480268467 1041137983 /nfs/dbraw/zinc/13/79/83/1041137983.db2.gz UTCQMNMGZMUQID-QGZVFWFLSA-N 1 3 330.516 4.389 20 0 EIADHO CCCC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000540158068 1041183752 /nfs/dbraw/zinc/18/37/52/1041183752.db2.gz SPLAHUJQBZULJV-BHDDXSALSA-N 1 3 344.543 4.275 20 0 EIADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000484316753 1041208357 /nfs/dbraw/zinc/20/83/57/1041208357.db2.gz ZOTCIHCIKUFDQS-JSGCOSHPSA-N 1 3 333.303 4.001 20 0 EIADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc2ccccc21 ZINC000540169052 1041212350 /nfs/dbraw/zinc/21/23/50/1041212350.db2.gz JJQUMKAGIHPQNS-QRVBRYPASA-N 1 3 340.511 4.380 20 0 EIADHO CSc1ccccc1[C@H](C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000194855225 1041233401 /nfs/dbraw/zinc/23/34/01/1041233401.db2.gz LXKMWLKWPWOPQE-INIZCTEOSA-N 1 3 344.524 4.200 20 0 EIADHO Cc1cccc(OCCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463072628 1041319152 /nfs/dbraw/zinc/31/91/52/1041319152.db2.gz RAKDZKVTZMFKDX-FPOVZHCZSA-N 1 3 338.495 4.017 20 0 EIADHO Cc1cccc(OCCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463072628 1041319164 /nfs/dbraw/zinc/31/91/64/1041319164.db2.gz RAKDZKVTZMFKDX-FPOVZHCZSA-N 1 3 338.495 4.017 20 0 EIADHO COc1ccc([C@@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)cc1OC ZINC000924796833 1041394745 /nfs/dbraw/zinc/39/47/45/1041394745.db2.gz DIAWULFSVSFOLK-HZPDHXFCSA-N 1 3 342.483 4.177 20 0 EIADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1 ZINC000480738064 1041498860 /nfs/dbraw/zinc/49/88/60/1041498860.db2.gz PUASIIQRUKAHSA-QGZVFWFLSA-N 1 3 344.474 4.397 20 0 EIADHO COc1ccc(C2(C[NH2+]C3CCN(C4CCCC4)CC3)CCC2)cc1 ZINC000541558908 1042000563 /nfs/dbraw/zinc/00/05/63/1042000563.db2.gz UYWVVHHWRXMNTL-UHFFFAOYSA-N 1 3 342.527 4.114 20 0 EIADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464828938 1042186007 /nfs/dbraw/zinc/18/60/07/1042186007.db2.gz FCCBZUYEIBNMHX-IBGZPJMESA-N 1 3 328.887 4.294 20 0 EIADHO C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464828938 1042186012 /nfs/dbraw/zinc/18/60/12/1042186012.db2.gz FCCBZUYEIBNMHX-IBGZPJMESA-N 1 3 328.887 4.294 20 0 EIADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464828942 1042186238 /nfs/dbraw/zinc/18/62/38/1042186238.db2.gz FCCBZUYEIBNMHX-LJQANCHMSA-N 1 3 328.887 4.294 20 0 EIADHO C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464828942 1042186245 /nfs/dbraw/zinc/18/62/45/1042186245.db2.gz FCCBZUYEIBNMHX-LJQANCHMSA-N 1 3 328.887 4.294 20 0 EIADHO CC(C)[NH+]1CCC(NCC(C)(C)c2c(F)cccc2Cl)CC1 ZINC000542136451 1042299619 /nfs/dbraw/zinc/29/96/19/1042299619.db2.gz LBIIVDCKCDEPHS-UHFFFAOYSA-N 1 3 326.887 4.219 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(OC)c2)c1 ZINC000177227893 1042831260 /nfs/dbraw/zinc/83/12/60/1042831260.db2.gz VWZYQCLMBDPHOP-KRWDZBQOSA-N 1 3 326.484 4.388 20 0 EIADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1F ZINC000310522228 1042839156 /nfs/dbraw/zinc/83/91/56/1042839156.db2.gz NVJWGIYVOVMALP-PXNSSMCTSA-N 1 3 326.459 4.134 20 0 EIADHO Brc1cscc1CNCCCCC[NH+]1CCCCC1 ZINC000511998193 1043085571 /nfs/dbraw/zinc/08/55/71/1043085571.db2.gz ZAKAVJBDZRQNSO-UHFFFAOYSA-N 1 3 345.350 4.256 20 0 EIADHO Cc1cncc([C@H](C)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000184278819 1043087260 /nfs/dbraw/zinc/08/72/60/1043087260.db2.gz UWRVKOANJQPJJY-HKUYNNGSSA-N 1 3 337.511 4.473 20 0 EIADHO Cc1cncc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000184278819 1043087279 /nfs/dbraw/zinc/08/72/79/1043087279.db2.gz UWRVKOANJQPJJY-HKUYNNGSSA-N 1 3 337.511 4.473 20 0 EIADHO COCCC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000282320347 1043179883 /nfs/dbraw/zinc/17/98/83/1043179883.db2.gz NOHNIVVNHBYFOS-LJQANCHMSA-N 1 3 336.495 4.146 20 0 EIADHO Clc1ccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166760821 1043312618 /nfs/dbraw/zinc/31/26/18/1043312618.db2.gz OKKRLZUSIDPCHE-HZPDHXFCSA-N 1 3 327.299 4.142 20 0 EIADHO Clc1ccc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000166760821 1043312632 /nfs/dbraw/zinc/31/26/32/1043312632.db2.gz OKKRLZUSIDPCHE-HZPDHXFCSA-N 1 3 327.299 4.142 20 0 EIADHO COCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000186887274 1043316129 /nfs/dbraw/zinc/31/61/29/1043316129.db2.gz ATGJCZMZBWMTNK-UHFFFAOYSA-N 1 3 336.564 4.360 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000174992617 1043426411 /nfs/dbraw/zinc/42/64/11/1043426411.db2.gz RXWVFEUKJYKOPX-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000174992617 1043426421 /nfs/dbraw/zinc/42/64/21/1043426421.db2.gz RXWVFEUKJYKOPX-NRFANRHFSA-N 1 3 326.459 4.443 20 0 EIADHO Clc1ccccc1CN1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000520973806 1043469749 /nfs/dbraw/zinc/46/97/49/1043469749.db2.gz DLDJTHHLHVBYOQ-UHFFFAOYSA-N 1 3 328.887 4.342 20 0 EIADHO Cc1c([C@H](C)[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cnn1C(C)C ZINC000191325116 1043808922 /nfs/dbraw/zinc/80/89/22/1043808922.db2.gz OOSJFIPDGVCXJN-ROUUACIJSA-N 1 3 342.531 4.334 20 0 EIADHO COCCC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000442723112 1043824280 /nfs/dbraw/zinc/82/42/80/1043824280.db2.gz YONZDLNTGGLDAV-PXNSSMCTSA-N 1 3 336.495 4.005 20 0 EIADHO COCCC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(F)cc1 ZINC000442861300 1043864778 /nfs/dbraw/zinc/86/47/78/1043864778.db2.gz UBHCUHSEWDENDT-FXAWDEMLSA-N 1 3 336.495 4.148 20 0 EIADHO CCC(CC)(C[NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(F)cc1 ZINC000665301028 1043913280 /nfs/dbraw/zinc/91/32/80/1043913280.db2.gz MRUPSAGLOMFMOL-HNNXBMFYSA-N 1 3 343.490 4.396 20 0 EIADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)[C@@H](C)C2 ZINC000658168493 1043950577 /nfs/dbraw/zinc/95/05/77/1043950577.db2.gz XNBGJWUZTURZRU-FDDCHVKYSA-N 1 3 349.522 4.125 20 0 EIADHO CC(C)C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195132365 1044025194 /nfs/dbraw/zinc/02/51/94/1044025194.db2.gz ADCNEPBONVTYFK-IFMALSPDSA-N 1 3 337.511 4.281 20 0 EIADHO CC(C)[N@H+](C)CCCNC1CC(c2ccc(Br)cc2)C1 ZINC000226392159 1044179044 /nfs/dbraw/zinc/17/90/44/1044179044.db2.gz SLBYKXKZNPWMRL-UHFFFAOYSA-N 1 3 339.321 4.015 20 0 EIADHO CC(C)[N@@H+](C)CCCNC1CC(c2ccc(Br)cc2)C1 ZINC000226392159 1044179068 /nfs/dbraw/zinc/17/90/68/1044179068.db2.gz SLBYKXKZNPWMRL-UHFFFAOYSA-N 1 3 339.321 4.015 20 0 EIADHO CC(C)N(C)CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000226392159 1044179083 /nfs/dbraw/zinc/17/90/83/1044179083.db2.gz SLBYKXKZNPWMRL-UHFFFAOYSA-N 1 3 339.321 4.015 20 0 EIADHO CCC[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000675815274 1044516000 /nfs/dbraw/zinc/51/60/00/1044516000.db2.gz AOJGPKRKCJBZFQ-LAUBAEHRSA-N 1 3 341.499 4.214 20 0 EIADHO Cc1ccccc1OCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000543461464 1044651104 /nfs/dbraw/zinc/65/11/04/1044651104.db2.gz GYLWTVOGIWUTRG-RBUKOAKNSA-N 1 3 330.516 4.007 20 0 EIADHO C[C@H](NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1cccc(N)c1 ZINC001168026958 1044722325 /nfs/dbraw/zinc/72/23/25/1044722325.db2.gz MPVSXSRFJAWQRC-KURKYZTESA-N 1 3 337.511 4.361 20 0 EIADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154304 1044932718 /nfs/dbraw/zinc/93/27/18/1044932718.db2.gz XMYIQOVGKYWCQO-HSQYWUDLSA-N 1 3 326.528 4.423 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000347913516 1045000324 /nfs/dbraw/zinc/00/03/24/1045000324.db2.gz AEMWYYDXMLOGKU-ZWKOTPCHSA-N 1 3 340.515 4.096 20 0 EIADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000347913516 1045000340 /nfs/dbraw/zinc/00/03/40/1045000340.db2.gz AEMWYYDXMLOGKU-ZWKOTPCHSA-N 1 3 340.515 4.096 20 0 EIADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000509443742 1045175829 /nfs/dbraw/zinc/17/58/29/1045175829.db2.gz GEWSBRKFGSIKHK-MRXNPFEDSA-N 1 3 330.497 4.074 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168741226 1045230498 /nfs/dbraw/zinc/23/04/98/1045230498.db2.gz XLFIOEUITOUGAD-OKZBNKHCSA-N 1 3 332.919 4.146 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168741226 1045230508 /nfs/dbraw/zinc/23/05/08/1045230508.db2.gz XLFIOEUITOUGAD-OKZBNKHCSA-N 1 3 332.919 4.146 20 0 EIADHO C[NH2+]CC1CCN(Cc2ccc(Br)cc2C(C)C)CC1 ZINC001235680327 1045492944 /nfs/dbraw/zinc/49/29/44/1045492944.db2.gz VZENYDBDHALMDP-UHFFFAOYSA-N 1 3 339.321 4.004 20 0 EIADHO C[NH+](C)CCC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000054337869 1045573799 /nfs/dbraw/zinc/57/37/99/1045573799.db2.gz XQGXVKZQOVOEMN-UHFFFAOYSA-N 1 3 331.891 4.052 20 0 EIADHO C[N@@H+](Cc1cncc2ccccc21)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769403339 1045952295 /nfs/dbraw/zinc/95/22/95/1045952295.db2.gz QPWQICJXPIMIQO-FQEVSTJZSA-N 1 3 345.490 4.189 20 0 EIADHO C[N@H+](Cc1cncc2ccccc21)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000769403339 1045952301 /nfs/dbraw/zinc/95/23/01/1045952301.db2.gz QPWQICJXPIMIQO-FQEVSTJZSA-N 1 3 345.490 4.189 20 0 EIADHO Cc1cc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)c(C)s1 ZINC000162539987 1046329483 /nfs/dbraw/zinc/32/94/83/1046329483.db2.gz AGGDAGUGXZAFAX-HNNXBMFYSA-N 1 3 332.513 4.156 20 0 EIADHO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000508722039 1046422664 /nfs/dbraw/zinc/42/26/64/1046422664.db2.gz QUTGCHMSSXOLLZ-WIYYLYMNSA-N 1 3 338.495 4.004 20 0 EIADHO CN1CCCC[C@@H]1c1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001170450924 1046497568 /nfs/dbraw/zinc/49/75/68/1046497568.db2.gz OBTBFSKBBBBHEN-GOSISDBHSA-N 1 3 344.547 4.302 20 0 EIADHO Fc1cccc(CCC[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC001170469036 1046822373 /nfs/dbraw/zinc/82/23/73/1046822373.db2.gz KYJZONIDUQHUOQ-UHFFFAOYSA-N 1 3 326.459 4.013 20 0 EIADHO C[C@H](CCCc1cccnc1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000459645829 1046831977 /nfs/dbraw/zinc/83/19/77/1046831977.db2.gz HOZDBUYPELEKMM-KNKQGSTJSA-N 1 3 343.559 4.426 20 0 EIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806134324 1047131838 /nfs/dbraw/zinc/13/18/38/1047131838.db2.gz JMDSWACYQSNAKM-SFHVURJKSA-N 1 3 343.902 4.352 20 0 EIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806134324 1047131845 /nfs/dbraw/zinc/13/18/45/1047131845.db2.gz JMDSWACYQSNAKM-SFHVURJKSA-N 1 3 343.902 4.352 20 0 EIADHO CC[NH+](CC)CCCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000788482682 1047214383 /nfs/dbraw/zinc/21/43/83/1047214383.db2.gz QLFJBWRDWADLMA-QZTJIDSGSA-N 1 3 338.561 4.148 20 0 EIADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)cc1 ZINC000556589890 1047834872 /nfs/dbraw/zinc/83/48/72/1047834872.db2.gz QPMLMMWPJMIJCC-DEPWHIHDSA-N 1 3 330.516 4.041 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857802 1048075863 /nfs/dbraw/zinc/07/58/63/1048075863.db2.gz HMYRKBIAFRQBKG-GUYCJALGSA-N 1 3 342.405 4.110 20 0 EIADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000556857802 1048075880 /nfs/dbraw/zinc/07/58/80/1048075880.db2.gz HMYRKBIAFRQBKG-GUYCJALGSA-N 1 3 342.405 4.110 20 0 EIADHO COc1ccc([C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1OC ZINC000556871738 1048090338 /nfs/dbraw/zinc/09/03/38/1048090338.db2.gz WSCZTVCTFHVERA-QAPCUYQASA-N 1 3 336.520 4.029 20 0 EIADHO Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1F ZINC000499153133 1048359785 /nfs/dbraw/zinc/35/97/85/1048359785.db2.gz RATKQDBEPBMDCM-MZADTFQBSA-N 1 3 338.470 4.419 20 0 EIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)cc2cccnc21 ZINC000809738865 1048510109 /nfs/dbraw/zinc/51/01/09/1048510109.db2.gz NFIRKODCCMOSIP-UHFFFAOYSA-N 1 3 337.442 4.068 20 0 EIADHO [NH3+][C@@H]1CCC[C@H]1NCCCN1c2ccccc2Sc2ccccc21 ZINC000817912694 1049057760 /nfs/dbraw/zinc/05/77/60/1049057760.db2.gz RDJXATOOSPLVSU-HZPDHXFCSA-N 1 3 339.508 4.149 20 0 EIADHO [NH3+][C@H]1CCC[C@H]1NCCCN1c2ccccc2Sc2ccccc21 ZINC000817912724 1049059751 /nfs/dbraw/zinc/05/97/51/1049059751.db2.gz RDJXATOOSPLVSU-JKSUJKDBSA-N 1 3 339.508 4.149 20 0 EIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)c(N)c(Cl)c1 ZINC000817969442 1049072724 /nfs/dbraw/zinc/07/27/24/1049072724.db2.gz VAPIJUGWBUXALG-SNVBAGLBSA-N 1 3 336.266 4.030 20 0 EIADHO Cc1c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cnn1-c1ccccc1 ZINC000817981781 1049077875 /nfs/dbraw/zinc/07/78/75/1049077875.db2.gz NPORQOQAJFWIML-VGSWGCGISA-N 1 3 348.494 4.312 20 0 EIADHO Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)C2 ZINC001171419773 1049656591 /nfs/dbraw/zinc/65/65/91/1049656591.db2.gz UWLNMZPOMAETSC-FXAWDEMLSA-N 1 3 342.502 4.093 20 0 EIADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)CC(F)(F)F ZINC000716680020 1049701546 /nfs/dbraw/zinc/70/15/46/1049701546.db2.gz PKASZECXGJWRAE-SPUZQDLCSA-N 1 3 340.433 4.218 20 0 EIADHO Fc1cc2c(cc1F)C[C@@H]([NH2+]C1CCN(CC3CCCC3)CC1)CC2 ZINC001171467438 1049724339 /nfs/dbraw/zinc/72/43/39/1049724339.db2.gz VFXTUBGIJGSVBQ-IBGZPJMESA-N 1 3 348.481 4.066 20 0 EIADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(C[C@H]3CC=CCC3)CC1)CC2 ZINC001170978747 1049737436 /nfs/dbraw/zinc/73/74/36/1049737436.db2.gz ZSNGQTJUJGMKNR-FXAWDEMLSA-N 1 3 342.502 4.093 20 0 EIADHO Fc1cccc2c1C[C@H](NC1CC[NH+](C[C@H]3CC=CCC3)CC1)CC2 ZINC001170978747 1049737444 /nfs/dbraw/zinc/73/74/44/1049737444.db2.gz ZSNGQTJUJGMKNR-FXAWDEMLSA-N 1 3 342.502 4.093 20 0 EIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706773 1049775509 /nfs/dbraw/zinc/77/55/09/1049775509.db2.gz MACDXJRERGAPMZ-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706773 1049775514 /nfs/dbraw/zinc/77/55/14/1049775514.db2.gz MACDXJRERGAPMZ-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706773 1049775518 /nfs/dbraw/zinc/77/55/18/1049775518.db2.gz MACDXJRERGAPMZ-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706773 1049775524 /nfs/dbraw/zinc/77/55/24/1049775524.db2.gz MACDXJRERGAPMZ-FHWLQOOXSA-N 1 3 348.481 4.161 20 0 EIADHO Cc1ccc(CC[C@H](C)N2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001171680083 1049777091 /nfs/dbraw/zinc/77/70/91/1049777091.db2.gz PFOJONAANTUGCJ-SFHVURJKSA-N 1 3 332.507 4.214 20 0 EIADHO CN1C(C)(C)CC([NH+]2CCC3(CC2)OCc2ccccc23)CC1(C)C ZINC001171637392 1049779080 /nfs/dbraw/zinc/77/90/80/1049779080.db2.gz LYMMNLDDKIUDJZ-UHFFFAOYSA-N 1 3 342.527 4.159 20 0 EIADHO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962604 1049825491 /nfs/dbraw/zinc/82/54/91/1049825491.db2.gz CGXCOJPUNHNCOU-AZUAARDMSA-N 1 3 337.511 4.484 20 0 EIADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001172061315 1049842201 /nfs/dbraw/zinc/84/22/01/1049842201.db2.gz GAZHKSJMZBEVGU-DKUWSORSSA-N 1 3 335.495 4.065 20 0 EIADHO CN(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172133276 1049854301 /nfs/dbraw/zinc/85/43/01/1049854301.db2.gz QWSRSCYICAQJPO-ZSHCYNCHSA-N 1 3 342.405 4.032 20 0 EIADHO CN(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172133276 1049854303 /nfs/dbraw/zinc/85/43/03/1049854303.db2.gz QWSRSCYICAQJPO-ZSHCYNCHSA-N 1 3 342.405 4.032 20 0 EIADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172118826 1049858192 /nfs/dbraw/zinc/85/81/92/1049858192.db2.gz TVWVLNATGRGVMY-XMTFNYHQSA-N 1 3 340.515 4.270 20 0 EIADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118826 1049858193 /nfs/dbraw/zinc/85/81/93/1049858193.db2.gz TVWVLNATGRGVMY-XMTFNYHQSA-N 1 3 340.515 4.270 20 0 EIADHO c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1CCN1CCCC1)CS2 ZINC001172203696 1049863588 /nfs/dbraw/zinc/86/35/88/1049863588.db2.gz VDCHGTQUHDFXGG-RTBURBONSA-N 1 3 330.541 4.044 20 0 EIADHO c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H]1CCN1CCCC1)CS2 ZINC001172203696 1049863589 /nfs/dbraw/zinc/86/35/89/1049863589.db2.gz VDCHGTQUHDFXGG-RTBURBONSA-N 1 3 330.541 4.044 20 0 EIADHO CCCCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC001172248593 1049872377 /nfs/dbraw/zinc/87/23/77/1049872377.db2.gz BZLRZZUSMDPRKQ-OAQYLSRUSA-N 1 3 332.532 4.399 20 0 EIADHO c1ccc([C@@H]2CC[C@H]([NH2+]CC3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC001172557369 1049932263 /nfs/dbraw/zinc/93/22/63/1049932263.db2.gz PEBRNVKXJKUXFT-YADHBBJMSA-N 1 3 349.522 4.220 20 0 EIADHO Cc1cncc([C@H](C)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000248754482 1050076643 /nfs/dbraw/zinc/07/66/43/1050076643.db2.gz UWRVKOANJQPJJY-MJGOQNOKSA-N 1 3 337.511 4.473 20 0 EIADHO Cc1cncc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000248754482 1050076647 /nfs/dbraw/zinc/07/66/47/1050076647.db2.gz UWRVKOANJQPJJY-MJGOQNOKSA-N 1 3 337.511 4.473 20 0 EIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000089513053 1050120821 /nfs/dbraw/zinc/12/08/21/1050120821.db2.gz JRASQKAWYHOMAD-ZDUSSCGKSA-N 1 3 344.421 4.499 20 0 EIADHO C[C@@H](Cc1ccc(F)cc1Cl)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001172860431 1050198957 /nfs/dbraw/zinc/19/89/57/1050198957.db2.gz CVUBMNMWQGUDRV-LBPRGKRZSA-N 1 3 326.887 4.390 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001172878125 1050219504 /nfs/dbraw/zinc/21/95/04/1050219504.db2.gz INEYFFBTCPOGGA-KBMXLJTQSA-N 1 3 326.937 4.283 20 0 EIADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001172878125 1050219511 /nfs/dbraw/zinc/21/95/11/1050219511.db2.gz INEYFFBTCPOGGA-KBMXLJTQSA-N 1 3 326.937 4.283 20 0 EIADHO Cc1ccc([C@@H](NCc2ccccc2OCC[NH+](C)C)C2CC2)cc1 ZINC000091312910 1050253112 /nfs/dbraw/zinc/25/31/12/1050253112.db2.gz HTSBFJNKVIOTNT-JOCHJYFZSA-N 1 3 338.495 4.176 20 0 EIADHO CC[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC001177668757 1050272798 /nfs/dbraw/zinc/27/27/98/1050272798.db2.gz CNHNQGRCNOUQAM-FGZHOGPDSA-N 1 3 336.523 4.334 20 0 EIADHO CC[NH+](CC)C1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC001173105397 1050304932 /nfs/dbraw/zinc/30/49/32/1050304932.db2.gz SEFGIJIVWHCGHX-UHFFFAOYSA-N 1 3 330.850 4.361 20 0 EIADHO NCCC[N@H+](C1CCCCC1)C1CCC(Oc2ccccc2)CC1 ZINC001173197755 1050342259 /nfs/dbraw/zinc/34/22/59/1050342259.db2.gz JADCWDBZXYKMDG-UHFFFAOYSA-N 1 3 330.516 4.360 20 0 EIADHO NCCC[N@@H+](C1CCCCC1)C1CCC(Oc2ccccc2)CC1 ZINC001173197755 1050342262 /nfs/dbraw/zinc/34/22/62/1050342262.db2.gz JADCWDBZXYKMDG-UHFFFAOYSA-N 1 3 330.516 4.360 20 0 EIADHO c1ccc(OC2CCC([NH+]3CCC(N4CCCCC4)CC3)CC2)cc1 ZINC001173201185 1050345540 /nfs/dbraw/zinc/34/55/40/1050345540.db2.gz ZBBOGLKCCKJWMB-UHFFFAOYSA-N 1 3 342.527 4.327 20 0 EIADHO C[N@H+](C1CCOCC1)C1CCN([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344313 1050434760 /nfs/dbraw/zinc/43/47/60/1050434760.db2.gz VAVLZDUYYSAVCA-OAQYLSRUSA-N 1 3 348.575 4.455 20 0 EIADHO C[N@@H+](C1CCOCC1)C1CCN([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173344313 1050434771 /nfs/dbraw/zinc/43/47/71/1050434771.db2.gz VAVLZDUYYSAVCA-OAQYLSRUSA-N 1 3 348.575 4.455 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173553723 1050481377 /nfs/dbraw/zinc/48/13/77/1050481377.db2.gz XZAUYNIFUIXASL-IMJJTQAJSA-N 1 3 341.326 4.198 20 0 EIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173553723 1050481382 /nfs/dbraw/zinc/48/13/82/1050481382.db2.gz XZAUYNIFUIXASL-IMJJTQAJSA-N 1 3 341.326 4.198 20 0 EIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccccc2N(C)C)c1 ZINC000093944631 1050727058 /nfs/dbraw/zinc/72/70/58/1050727058.db2.gz FNJFWYRTBHWAKF-QGZVFWFLSA-N 1 3 325.500 4.055 20 0 EIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccccc2N(C)C)c1 ZINC000093944631 1050727066 /nfs/dbraw/zinc/72/70/66/1050727066.db2.gz FNJFWYRTBHWAKF-QGZVFWFLSA-N 1 3 325.500 4.055 20 0 EIADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CCc3ccccc32)C1 ZINC001180030505 1050860956 /nfs/dbraw/zinc/86/09/56/1050860956.db2.gz NRWHHXKGZPBBNS-SFHLNBCPSA-N 1 3 326.528 4.303 20 0 EIADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CCc3ccccc32)C1 ZINC001180030505 1050860964 /nfs/dbraw/zinc/86/09/64/1050860964.db2.gz NRWHHXKGZPBBNS-SFHLNBCPSA-N 1 3 326.528 4.303 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)ccc1OC ZINC000183130354 1050987613 /nfs/dbraw/zinc/98/76/13/1050987613.db2.gz HOEWWQAIHPAKRH-IRXDYDNUSA-N 1 3 348.531 4.003 20 0 EIADHO C[C@H](CCc1cncc2ccccc21)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001180809151 1051088432 /nfs/dbraw/zinc/08/84/32/1051088432.db2.gz BDMZYUYXTYLOER-MOPGFXCFSA-N 1 3 339.527 4.410 20 0 EIADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)SC)cc1CN1CCCCC1 ZINC000183378173 1051102951 /nfs/dbraw/zinc/10/29/51/1051102951.db2.gz WTMDLUBOAOHFFD-HOTGVXAUSA-N 1 3 336.545 4.083 20 0 EIADHO C[C@@H](CC[NH+](C)C)N[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775380435 1051174116 /nfs/dbraw/zinc/17/41/16/1051174116.db2.gz IPQFGRPCLISZLH-LRDDRELGSA-N 1 3 328.472 4.309 20 0 EIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C(C2CC2)C2CC2)ccc1OC ZINC000775383963 1051177097 /nfs/dbraw/zinc/17/70/97/1051177097.db2.gz RNKNEJLVUWJOOH-HNNXBMFYSA-N 1 3 330.516 4.376 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(C)C)cc1CN1CCCCC1 ZINC000775396030 1051218258 /nfs/dbraw/zinc/21/82/58/1051218258.db2.gz OWYVVHMMDCBTCK-DYESRHJHSA-N 1 3 348.531 4.003 20 0 EIADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)c1ccccc1 ZINC000716654492 1051276848 /nfs/dbraw/zinc/27/68/48/1051276848.db2.gz HYVSFXPFRWMOLX-MHADKKCISA-N 1 3 334.507 4.433 20 0 EIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000154845840 1051342092 /nfs/dbraw/zinc/34/20/92/1051342092.db2.gz WYHFSPUZYREFKQ-INIZCTEOSA-N 1 3 340.467 4.106 20 0 EIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000154845840 1051342096 /nfs/dbraw/zinc/34/20/96/1051342096.db2.gz WYHFSPUZYREFKQ-INIZCTEOSA-N 1 3 340.467 4.106 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc2cc(OC)ccc2c1 ZINC000163255643 1051559529 /nfs/dbraw/zinc/55/95/29/1051559529.db2.gz FLZBKIBHOAJHLJ-KKSFZXQISA-N 1 3 326.484 4.231 20 0 EIADHO c1ccc(CN2CC=C(Nc3ccccc3C[NH+]3CCCC3)CC2)cc1 ZINC001175506243 1051640487 /nfs/dbraw/zinc/64/04/87/1051640487.db2.gz QGUHEEKADQJWRI-UHFFFAOYSA-N 1 3 347.506 4.484 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158098268 1051709618 /nfs/dbraw/zinc/70/96/18/1051709618.db2.gz HVYGODQRFLCXCG-UKRRQHHQSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158098268 1051709634 /nfs/dbraw/zinc/70/96/34/1051709634.db2.gz HVYGODQRFLCXCG-UKRRQHHQSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158098711 1051711045 /nfs/dbraw/zinc/71/10/45/1051711045.db2.gz QPGLTDHJYHYLNR-WBVHZDCISA-N 1 3 343.540 4.419 20 0 EIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158098711 1051711063 /nfs/dbraw/zinc/71/10/63/1051711063.db2.gz QPGLTDHJYHYLNR-WBVHZDCISA-N 1 3 343.540 4.419 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000158121970 1051713994 /nfs/dbraw/zinc/71/39/94/1051713994.db2.gz ILBNBCXINLRJFN-UKRRQHHQSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000158121970 1051714011 /nfs/dbraw/zinc/71/40/11/1051714011.db2.gz ILBNBCXINLRJFN-UKRRQHHQSA-N 1 3 347.503 4.250 20 0 EIADHO Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)cc1C ZINC001182817341 1051718145 /nfs/dbraw/zinc/71/81/45/1051718145.db2.gz SKGSCOPHILUZSF-HJOGWXRNSA-N 1 3 348.534 4.489 20 0 EIADHO CC(C)(C)SCCCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973080 1051855007 /nfs/dbraw/zinc/85/50/07/1051855007.db2.gz ISJVETGHNNRGLE-PZJWPPBQSA-N 1 3 346.584 4.362 20 0 EIADHO CC(C)(C)SCCCN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973080 1051855010 /nfs/dbraw/zinc/85/50/10/1051855010.db2.gz ISJVETGHNNRGLE-PZJWPPBQSA-N 1 3 346.584 4.362 20 0 EIADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc2cc[nH]c2c1 ZINC001193091737 1051873823 /nfs/dbraw/zinc/87/38/23/1051873823.db2.gz BHDIIDPAQQWFPA-ROUUACIJSA-N 1 3 347.506 4.414 20 0 EIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3ccc(OC)cc32)c1 ZINC000163549352 1051994962 /nfs/dbraw/zinc/99/49/62/1051994962.db2.gz XOMGXDCUJPLZOT-JOCHJYFZSA-N 1 3 338.495 4.314 20 0 EIADHO C[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cc(F)cc(F)c1 ZINC000165183089 1052055493 /nfs/dbraw/zinc/05/54/93/1052055493.db2.gz RIBAYDYPFLRETF-OAHLLOKOSA-N 1 3 348.437 4.146 20 0 EIADHO C[C@@H](NCc1ccc(Cl)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177860665 1052693110 /nfs/dbraw/zinc/69/31/10/1052693110.db2.gz XCIOSVLSBNLMNX-CYBMUJFWSA-N 1 3 338.904 4.193 20 0 EIADHO C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000178087748 1052697729 /nfs/dbraw/zinc/69/77/29/1052697729.db2.gz FSEGMWQZFVOECQ-QVKFZJNVSA-N 1 3 342.458 4.104 20 0 EIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000179398987 1052733668 /nfs/dbraw/zinc/73/36/68/1052733668.db2.gz BDLWQMDMRASILX-SFHVURJKSA-N 1 3 337.511 4.199 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@@H+]1C ZINC000623898299 1052832509 /nfs/dbraw/zinc/83/25/09/1052832509.db2.gz FAOWKUYTOFTHMU-RVZJWNSFSA-N 1 3 331.891 4.271 20 0 EIADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)CC[N@H+]1C ZINC000623898299 1052832510 /nfs/dbraw/zinc/83/25/10/1052832510.db2.gz FAOWKUYTOFTHMU-RVZJWNSFSA-N 1 3 331.891 4.271 20 0 EIADHO CCC[C@H](NC1CC[NH+](CCCOC)CC1)c1cc(C)sc1C ZINC000623884929 1052833463 /nfs/dbraw/zinc/83/34/63/1052833463.db2.gz MWCUOCCPTNLJRC-IBGZPJMESA-N 1 3 338.561 4.297 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000624112845 1052866011 /nfs/dbraw/zinc/86/60/11/1052866011.db2.gz NHDFNVCOWVQAJD-FXAWDEMLSA-N 1 3 343.559 4.300 20 0 EIADHO Cc1ccc(C(C)(C)CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)nc1 ZINC000624112569 1052866248 /nfs/dbraw/zinc/86/62/48/1052866248.db2.gz CMFVELTUTLBBLR-QUCCMNQESA-N 1 3 343.559 4.300 20 0 EIADHO COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCCCN(C)C3)ccc2c1 ZINC000624120026 1052867366 /nfs/dbraw/zinc/86/73/66/1052867366.db2.gz PROHRKJMUXKSMJ-IRXDYDNUSA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc(C2CCC([NH2+]C[C@@H]3CCCCN(C)C3)CC2)cc1 ZINC000624121875 1052867639 /nfs/dbraw/zinc/86/76/39/1052867639.db2.gz FCTUWUIVOPKRLN-ZJRDLVKKSA-N 1 3 330.516 4.043 20 0 EIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c2ccccc12 ZINC000624119589 1052867647 /nfs/dbraw/zinc/86/76/47/1052867647.db2.gz FNMQOZKBFSLDEJ-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c2ccccc12 ZINC000624119589 1052867649 /nfs/dbraw/zinc/86/76/49/1052867649.db2.gz FNMQOZKBFSLDEJ-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c2ccccc12 ZINC000624119589 1052867651 /nfs/dbraw/zinc/86/76/51/1052867651.db2.gz FNMQOZKBFSLDEJ-SJORKVTESA-N 1 3 326.484 4.231 20 0 EIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000624124050 1052868421 /nfs/dbraw/zinc/86/84/21/1052868421.db2.gz VZJICWSWENQDBP-APIJFGDWSA-N 1 3 326.937 4.215 20 0 EIADHO C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382062849 1053137865 /nfs/dbraw/zinc/13/78/65/1053137865.db2.gz PYXCHVBJSWHZOZ-GDBMZVCRSA-N 1 3 334.916 4.402 20 0 EIADHO C[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000382169298 1053151898 /nfs/dbraw/zinc/15/18/98/1053151898.db2.gz PKKQCTFSXKLHFD-AVRDEDQJSA-N 1 3 345.490 4.235 20 0 EIADHO CN(CCC[NH+]1CCC(Cc2ccccc2)CC1)C1CC(C)(C)C1 ZINC001194994382 1053221484 /nfs/dbraw/zinc/22/14/84/1053221484.db2.gz WGBWSISCEUDVBK-UHFFFAOYSA-N 1 3 328.544 4.452 20 0 EIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2ccoc2)ccc1OC ZINC000850532321 1053292386 /nfs/dbraw/zinc/29/23/86/1053292386.db2.gz SJCDDAPECJLKGG-MRXNPFEDSA-N 1 3 330.472 4.023 20 0 EIADHO CC[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1F ZINC000383365056 1053328269 /nfs/dbraw/zinc/32/82/69/1053328269.db2.gz UXUUVOAWPQDXLT-RXVVDRJESA-N 1 3 326.459 4.389 20 0 EIADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000383428559 1053338145 /nfs/dbraw/zinc/33/81/45/1053338145.db2.gz BIUMWIXIEPRFTR-FXAWDEMLSA-N 1 3 326.459 4.134 20 0 EIADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000383428565 1053338343 /nfs/dbraw/zinc/33/83/43/1053338343.db2.gz BIUMWIXIEPRFTR-XLIONFOSSA-N 1 3 326.459 4.134 20 0 EIADHO CSc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000383677414 1053373456 /nfs/dbraw/zinc/37/34/56/1053373456.db2.gz NSCKIMJFFTYGOC-YLJYHZDGSA-N 1 3 340.536 4.409 20 0 EIADHO C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000386238405 1053645009 /nfs/dbraw/zinc/64/50/09/1053645009.db2.gz BOAPTJQWEWMOHV-PXNSSMCTSA-N 1 3 334.463 4.433 20 0 EIADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000386686417 1053819611 /nfs/dbraw/zinc/81/96/11/1053819611.db2.gz ZCRDBFWRGGDAMF-OPYAIIAOSA-N 1 3 338.495 4.084 20 0 EIADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026245 1054059029 /nfs/dbraw/zinc/05/90/29/1054059029.db2.gz BPFQQULXDYHFPO-GJZGRUSLSA-N 1 3 340.433 4.156 20 0 EIADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001198026245 1054059037 /nfs/dbraw/zinc/05/90/37/1054059037.db2.gz BPFQQULXDYHFPO-GJZGRUSLSA-N 1 3 340.433 4.156 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856558424 1054084170 /nfs/dbraw/zinc/08/41/70/1054084170.db2.gz IGNGOVBHKKLAIH-YLJYHZDGSA-N 1 3 347.547 4.057 20 0 EIADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](C)C(C)(C)C)C2)ccn1 ZINC000856558424 1054084184 /nfs/dbraw/zinc/08/41/84/1054084184.db2.gz IGNGOVBHKKLAIH-YLJYHZDGSA-N 1 3 347.547 4.057 20 0 EIADHO C[C@H](C[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)CN1CCCC1 ZINC001199403021 1054406956 /nfs/dbraw/zinc/40/69/56/1054406956.db2.gz CPARZYLOOUFSPJ-RBUKOAKNSA-N 1 3 330.560 4.484 20 0 EIADHO CCCCN1CCC([NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)CC1 ZINC001199784159 1054471393 /nfs/dbraw/zinc/47/13/93/1054471393.db2.gz PSTHACWOVPFHQL-QGZVFWFLSA-N 1 3 348.531 4.227 20 0 EIADHO CCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201747064 1054894972 /nfs/dbraw/zinc/89/49/72/1054894972.db2.gz TVSDQUVIXNUKTE-VXKWHMMOSA-N 1 3 348.575 4.027 20 0 EIADHO CCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001201747064 1054894975 /nfs/dbraw/zinc/89/49/75/1054894975.db2.gz TVSDQUVIXNUKTE-VXKWHMMOSA-N 1 3 348.575 4.027 20 0 EIADHO CCN([C@H]1CCOC1)C1CC[NH+](CC[C@H](C)CCC=C(C)C)CC1 ZINC001201981661 1054958960 /nfs/dbraw/zinc/95/89/60/1054958960.db2.gz QLDWCFNTVMZDNC-CTNGQTDRSA-N 1 3 336.564 4.334 20 0 EIADHO CCN([C@H]1CCOC1)C1CC[NH+](CC[C@@H](C)CCC=C(C)C)CC1 ZINC001201981663 1054959535 /nfs/dbraw/zinc/95/95/35/1054959535.db2.gz QLDWCFNTVMZDNC-FPOVZHCZSA-N 1 3 336.564 4.334 20 0 EIADHO CN(Cc1cccc2cnccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183295007 1059980414 /nfs/dbraw/zinc/98/04/14/1059980414.db2.gz CYYNSBRIAXXUFC-HXUWFJFHSA-N 1 3 345.490 4.189 20 0 EIADHO CN(Cc1cccc2cnccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183295007 1059980435 /nfs/dbraw/zinc/98/04/35/1059980435.db2.gz CYYNSBRIAXXUFC-HXUWFJFHSA-N 1 3 345.490 4.189 20 0 EIADHO C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001205995742 1060512064 /nfs/dbraw/zinc/51/20/64/1060512064.db2.gz PTMFGELENJHKPF-VXGBXAGGSA-N 1 3 334.813 4.166 20 0 EIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1ccc(-c3cccc(O)c3)cc1)C2 ZINC001169109085 1060658620 /nfs/dbraw/zinc/65/86/20/1060658620.db2.gz YBGVCJQYRYJDQB-PMNYKWLYSA-N 1 3 348.490 4.130 20 0 EIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1ccc(-c3cccc(O)c3)cc1)C2 ZINC001169109085 1060658628 /nfs/dbraw/zinc/65/86/28/1060658628.db2.gz YBGVCJQYRYJDQB-PMNYKWLYSA-N 1 3 348.490 4.130 20 0 EIADHO C[C@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)CCC[C@H]1C[NH3+] ZINC001206011909 1060819043 /nfs/dbraw/zinc/81/90/43/1060819043.db2.gz HANOUXUPGYBENU-AAEUAGOBSA-N 1 3 334.813 4.166 20 0 EIADHO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000078847313 217134157 /nfs/dbraw/zinc/13/41/57/217134157.db2.gz RMNSWSDTZCVFLZ-CBGDNZLLSA-N 1 3 348.506 4.098 20 0 EIADHO